smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1Cl	ZINC000000152855	344570896	/nfs/dbraw/zinc/57/08/96/344570896.db2.gz	LZQIEGPPHXRHQH-UHFFFAOYSA-N	-1	0	236.054	3.224	50	5		BGBARM
O=[N+]([O-])c1ccc(Oc2cccc(O)c2)cc1	ZINC000000235601	344651331	/nfs/dbraw/zinc/65/13/31/344651331.db2.gz	DROHRAYYEDKXIN-UHFFFAOYSA-N	-1	0	231.207	3.093	50	5		BGBARM
O=c1oc2cc([O-])c(Cl)cc2c2ccccc12	ZINC000000610730	188273083	/nfs/dbraw/zinc/27/30/83/188273083.db2.gz	RMVBXXJNOAXYHY-UHFFFAOYSA-N	-1	0	246.649	3.305	50	5		BGBARM
Cc1cc(C(=O)[O-])c2c(ccc3ccccc32)n1	ZINC000000973337	383885216	/nfs/dbraw/zinc/88/52/16/383885216.db2.gz	DPYJYHUSSCOKLA-UHFFFAOYSA-N	-1	0	237.258	3.395	50	5		BGBARM
O=[N+]([O-])c1coc2c1cc([O-])c(Cl)c2Cl	ZINC000001421033	353661251	/nfs/dbraw/zinc/66/12/51/353661251.db2.gz	HHRHORVDEJKASB-UHFFFAOYSA-N	-1	0	248.021	3.353	50	5		BGBARM
O=[N+]([O-])c1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000001661152	357074447	/nfs/dbraw/zinc/07/44/47/357074447.db2.gz	XWLBYVXDCGYXGY-UHFFFAOYSA-N	-1	0	242.445	3.261	50	5		BGBARM
O=C([O-])c1cc2cc3ccccc3cc2cc1O	ZINC000001718623	342711044	/nfs/dbraw/zinc/71/10/44/342711044.db2.gz	PHQKCVOZVPSTAF-UHFFFAOYSA-N	-1	0	238.242	3.397	50	5		BGBARM
O=C([O-])CCCCCCCCCCC[N+](=O)[O-]	ZINC000002166909	182435557	/nfs/dbraw/zinc/43/55/57/182435557.db2.gz	WBFNNQMHXFHGCE-UHFFFAOYSA-N	-1	0	245.319	3.249	50	5		BGBARM
CCc1c(Cl)cc([N+](=O)[O-])c([O-])c1Cl	ZINC000002562555	342724241	/nfs/dbraw/zinc/72/42/41/342724241.db2.gz	YTVCECQSAPGJBB-UHFFFAOYSA-N	-1	0	236.054	3.170	50	5		BGBARM
O=C([O-])c1c2ccccc2nc2ccccc21	ZINC000004181048	342743386	/nfs/dbraw/zinc/74/33/86/342743386.db2.gz	IYRYQBAAHMBIFT-UHFFFAOYSA-N	-1	0	223.231	3.086	50	5		BGBARM
O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000005006119	344895588	/nfs/dbraw/zinc/89/55/88/344895588.db2.gz	KQLUSGVTGAPFDW-UHFFFAOYSA-N	-1	0	249.247	3.022	50	5		BGBARM
O=C([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)s1	ZINC000008729732	182562565	/nfs/dbraw/zinc/56/25/65/182562565.db2.gz	GSBHPZWXHNZNTC-UHFFFAOYSA-N	-1	0	249.247	3.022	50	5		BGBARM
O=[N+]([O-])c1cc(C2CCCCC2)ccc1[O-]	ZINC000019891484	182921649	/nfs/dbraw/zinc/92/16/49/182921649.db2.gz	YUQPJMAOUVWWOM-UHFFFAOYSA-N	-1	0	221.256	3.348	50	5		BGBARM
O=C([O-])c1cc2ccccc2c2cccnc12	ZINC000022145567	343042408	/nfs/dbraw/zinc/04/24/08/343042408.db2.gz	JYDYBSVBTZVOSI-UHFFFAOYSA-N	-1	0	223.231	3.086	50	5		BGBARM
O=[N+]([O-])c1cc(Oc2ccccc2)ccc1[O-]	ZINC000034457560	538954618	/nfs/dbraw/zinc/95/46/18/538954618.db2.gz	PVFPTCXTEHFQGM-UHFFFAOYSA-N	-1	0	231.207	3.093	50	5		BGBARM
O=[N+]([O-])c1ccc([O-])c(-c2cccs2)c1	ZINC000034781274	351272557	/nfs/dbraw/zinc/27/25/57/351272557.db2.gz	RBRJILBGEJNBIF-UHFFFAOYSA-N	-1	0	221.237	3.029	50	5		BGBARM
O=[N+]([O-])c1ccc(Sc2ccccc2)cc1[O-]	ZINC000035571898	358001371	/nfs/dbraw/zinc/00/13/71/358001371.db2.gz	FRTOEASNXKEWDT-UHFFFAOYSA-N	-1	0	247.275	3.452	50	5		BGBARM
O=c1oc2ccc3ccccc3c2cc1[S-]	ZINC000213435282	368403688	/nfs/dbraw/zinc/40/36/88/368403688.db2.gz	ARSXOAWCKRYJMX-UHFFFAOYSA-N	-1	0	228.272	3.235	50	5		BGBARM