smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c(Cl)ccc(O)c1Cl	ZINC000012359093	188279133	/nfs/dbraw/zinc/27/91/33/188279133.db2.gz	GLNRZGZHZYONRE-UHFFFAOYSA-N	0	2	208.000	2.607	50	5		BFBALN
O=[N+]([O-])c1ccc(O)c(C2SCCS2)c1	ZINC000035583886	358004347	/nfs/dbraw/zinc/00/43/47/358004347.db2.gz	FUIXIBWXXKRUDP-UHFFFAOYSA-N	0	2	243.309	2.779	50	5		BFBALN
O=[N+]([O-])c1ccc2c(c1O)Cc1ccccc1-2	ZINC000037246054	182942304	/nfs/dbraw/zinc/94/23/04/182942304.db2.gz	NKAYMSAPNXUYBD-UHFFFAOYSA-N	0	2	227.219	2.872	50	5		BFBALN
Cc1cc(Cl)c2c(ccc(O)c2[N+](=O)[O-])n1	ZINC000000338314	178062456	/nfs/dbraw/zinc/06/24/56/178062456.db2.gz	MQONWPXSCSKAJG-UHFFFAOYSA-N	0	2	238.630	2.810	50	5		BFBALN
O=[N+]([O-])c1cc2c3c(cccc3c1O)CC2	ZINC000036020478	360543427	/nfs/dbraw/zinc/54/34/27/360543427.db2.gz	SMFCLZNIYUHNNM-UHFFFAOYSA-N	0	2	215.208	2.552	50	5		BFBALN
O=[N+]([O-])c1cc(SC(F)(F)F)ccc1O	ZINC000015442393	182924874	/nfs/dbraw/zinc/92/48/74/182924874.db2.gz	NOMKRMHMFZTWBR-UHFFFAOYSA-N	0	2	239.174	2.912	50	5		BFBALN
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1O	ZINC000034218592	346226184	/nfs/dbraw/zinc/22/61/84/346226184.db2.gz	XGCGFGQIRIUEED-UHFFFAOYSA-N	0	2	245.234	2.879	50	5		BFBALN
Cc1cc(O)c(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000263625113	178196240	/nfs/dbraw/zinc/19/62/40/178196240.db2.gz	WWCUJEBAOWOQMN-UHFFFAOYSA-N	0	2	221.134	2.628	50	5		BFBALN
O=[N+]([O-])c1cc(Cl)c2cccnc2c1O	ZINC000000122144	344554547	/nfs/dbraw/zinc/55/45/47/344554547.db2.gz	YMZCBKSIFLQQEM-UHFFFAOYSA-N	0	2	224.603	2.502	50	5		BFBALN
O=[N+]([O-])c1cc(O)c(Cl)c(Cl)c1	ZINC000247356662	385327675	/nfs/dbraw/zinc/32/76/75/385327675.db2.gz	XZPYWSMHAVVJNK-UHFFFAOYSA-N	0	2	208.000	2.607	50	5		BFBALN
Cc1cc(O)c([N+](=O)[O-])c(C)c1Cl	ZINC000036058018	178196681	/nfs/dbraw/zinc/19/66/81/178196681.db2.gz	YOTFJCRTPIJJFX-UHFFFAOYSA-N	0	2	201.609	2.571	50	5		BFBALN
O=[N+]([O-])Cc1ncc(C(F)(F)F)cc1Cl	ZINC000043224393	182920272	/nfs/dbraw/zinc/92/02/72/182920272.db2.gz	QFYJRXNYDDTTAW-UHFFFAOYSA-N	0	2	240.568	2.531	50	5		BFBALN
Cc1cc(Cl)c(O)c([N+](=O)[O-])c1C	ZINC000036532891	178061429	/nfs/dbraw/zinc/06/14/29/178061429.db2.gz	LMTRWXYYWXXVHD-UHFFFAOYSA-N	0	2	201.609	2.571	50	5		BFBALN
O=[N+]([O-])c1cc(-c2ccccc2)ccc1O	ZINC000035575724	188111331	/nfs/dbraw/zinc/11/13/31/188111331.db2.gz	JDDNJJBXFOLPKX-UHFFFAOYSA-N	0	2	215.208	2.967	50	5		BFBALN
O=[N+]([O-])c1cc(O)c(Cl)cc1Cl	ZINC000002598116	182924742	/nfs/dbraw/zinc/92/47/42/182924742.db2.gz	OFAPWTOOMSVMIU-UHFFFAOYSA-N	0	2	208.000	2.607	50	5		BFBALN
O=[N+]([O-])c1c(O)cccc1OCc1ccccc1	ZINC000095494805	388777351	/nfs/dbraw/zinc/77/73/51/388777351.db2.gz	YJKYCRSONHRGJN-UHFFFAOYSA-N	0	2	245.234	2.879	50	5		BFBALN
O=[N+]([O-])c1ccc(-c2ccccc2)cc1O	ZINC000036127397	360633059	/nfs/dbraw/zinc/63/30/59/360633059.db2.gz	HYPKGPVDQYUOSV-UHFFFAOYSA-N	0	2	215.208	2.967	50	5		BFBALN