smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(F)c(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC000095495282	185373727	/nfs/dbraw/zinc/37/37/27/185373727.db2.gz	NRGHZDXRQYADKQ-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
O=C([O-])c1ccc(F)c(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000095495284	304245001	/nfs/dbraw/zinc/24/50/01/304245001.db2.gz	IUPAMNOKXKFASD-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
O=C([O-])c1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1F	ZINC000095495281	304230253	/nfs/dbraw/zinc/23/02/53/304230253.db2.gz	OMSAJRZNCAYXJS-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
O=C([O-])c1ccc(F)c(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000095495283	304244934	/nfs/dbraw/zinc/24/49/34/304244934.db2.gz	DEWKQFIBKOVIAQ-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
Cc1cc([N-]c2ncnc([N-]c3nccs3)c2[N+](=O)[O-])no1	ZINC000040582198	183105258	/nfs/dbraw/zinc/10/52/58/183105258.db2.gz	IUYSWWQCWLVZME-UHFFFAOYSA-N	-2	0	319.306	2.625	10	5		DFBERL
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1[N-]c1nccs1	ZINC000040647745	183114086	/nfs/dbraw/zinc/11/40/86/183114086.db2.gz	HNFTUJVETZPUFT-UHFFFAOYSA-N	-2	0	321.347	2.785	10	5		DFBERL
O=[N+]([O-])c1c([O-])c(Br)cc(Br)c1[O-]	ZINC000247340123	426927977	/nfs/dbraw/zinc/92/79/77/426927977.db2.gz	SAUQQASKHGOBCN-UHFFFAOYSA-N	-2	0	312.901	2.531	10	5		DFBERL
O=C([O-])c1ccccc1Nc1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000095775706	304271222	/nfs/dbraw/zinc/27/12/22/304271222.db2.gz	UWGMCJDSCAQZMV-UHFFFAOYSA-N	-2	0	302.242	2.735	10	5		DFBERL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1F	ZINC000095495279	185373904	/nfs/dbraw/zinc/37/39/04/185373904.db2.gz	YQQQLDCSQQECGU-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
O=C([O-])c1cc(F)cc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000095495278	304224934	/nfs/dbraw/zinc/22/49/34/304224934.db2.gz	DAOXRMUHGFKDHY-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL
O=C([O-])c1cc(F)cc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC000095495277	185373955	/nfs/dbraw/zinc/37/39/55/185373955.db2.gz	MKURKDFKKDNBSG-UHFFFAOYSA-N	-2	0	305.217	2.797	10	5		DFBERL