smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc([N+](=O)[O-])c(N)cc1[O-]	ZINC000034186557	385272780	/nfs/dbraw/zinc/27/27/80/385272780.db2.gz	JALSFXCPHVLKBQ-UHFFFAOYSA-N	-1	1	212.161	0.669	40	5		BCBBMM
COC(=O)c1cc2nn[n-]c2c([N+](=O)[O-])c1	ZINC000147965064	384444223	/nfs/dbraw/zinc/44/42/23/384444223.db2.gz	ONXPSGIYDVOMHY-UHFFFAOYSA-N	-1	1	222.160	0.653	40	5		BCBBMM
COC(=O)c1cc2n[n-]nc2c([N+](=O)[O-])c1	ZINC000147965064	384444232	/nfs/dbraw/zinc/44/42/32/384444232.db2.gz	ONXPSGIYDVOMHY-UHFFFAOYSA-N	-1	1	222.160	0.653	40	5		BCBBMM
COc1cc2c(c([N+](=O)[O-])c1)[N-]C(=O)C2=O	ZINC000004783365	175020200	/nfs/dbraw/zinc/02/02/00/175020200.db2.gz	KFNPBOSYECQAHA-UHFFFAOYSA-N	-1	1	222.156	0.738	40	5		BCBBMM
COc1cccc([C@H](N)C(=O)[O-])c1[N+](=O)[O-]	ZINC000072196352	175294489	/nfs/dbraw/zinc/29/44/89/175294489.db2.gz	COYXMYINEKGECW-ZETCQYMHSA-N	-1	1	226.188	0.688	40	5		BCBBMM
CCCSc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000095093213	169342235	/nfs/dbraw/zinc/34/22/35/169342235.db2.gz	PHMVMACIFWKESN-UHFFFAOYSA-N	-1	1	231.233	0.886	40	5		BCBBMM
O=C1Cc2ccc([N+](=O)[O-])cc2C(=O)[N-]1	ZINC000095760979	385110488	/nfs/dbraw/zinc/11/04/88/385110488.db2.gz	ZMMZPBUDHFGBCQ-UHFFFAOYSA-N	-1	1	206.157	0.407	40	5		BCBBMM
NCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000012359058	388716583	/nfs/dbraw/zinc/71/65/83/388716583.db2.gz	ZWKULSGOCVFVHI-UHFFFAOYSA-N	-1	1	212.161	0.588	40	5		BCBBMM
N[C@H](C(=O)[O-])c1cc([N+](=O)[O-])ccc1F	ZINC000072196208	385051240	/nfs/dbraw/zinc/05/12/40/385051240.db2.gz	DELDOAFYXJXETF-ZETCQYMHSA-N	-1	1	214.152	0.818	40	5		BCBBMM
Nc1cc(=O)[n-]c(-c2ccccc2[N+](=O)[O-])n1	ZINC000002597886	181676344	/nfs/dbraw/zinc/67/63/44/181676344.db2.gz	ZMXSUKJKSCTRMW-UHFFFAOYSA-N	-1	1	232.199	0.927	40	5		BCBBMM
O=[N+]([O-])c1ccc(-n2cnnc2)c([O-])c1	ZINC000066111174	384063599	/nfs/dbraw/zinc/06/35/99/384063599.db2.gz	WXRIVVWFEYIVGB-UHFFFAOYSA-N	-1	1	206.161	0.881	40	5		BCBBMM
O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000040350589	182927762	/nfs/dbraw/zinc/92/77/62/182927762.db2.gz	VRNHOEYFQWBLOV-UHFFFAOYSA-N	-1	1	209.140	0.914	40	5		BCBBMM
O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000040350589	182927764	/nfs/dbraw/zinc/92/77/64/182927764.db2.gz	VRNHOEYFQWBLOV-UHFFFAOYSA-N	-1	1	209.140	0.914	40	5		BCBBMM
[O-]c1cccc2c1[n+]([O-])c1cccc(O)c1[n+]2[O-]	ZINC000005701048	188081857	/nfs/dbraw/zinc/08/18/57/188081857.db2.gz	NBMOVCYIGUDQJE-UHFFFAOYSA-N	-1	1	244.206	0.671	40	5		BCBBMM
O=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])N1	ZINC000006240296	387619890	/nfs/dbraw/zinc/61/98/90/387619890.db2.gz	UINIBGVWABHMSR-XQRVVYSFSA-N	-1	1	249.182	0.481	40	5		BCBBMM
O=c1cc([O-])c2c(ccc3c(O)cc(=O)[nH]c32)[nH]1	ZINC000006423876	342777690	/nfs/dbraw/zinc/77/76/90/342777690.db2.gz	SYNUURCFUWWCPC-UHFFFAOYSA-N	-1	1	244.206	0.781	40	5		BCBBMM
COc1cccc([C@@H](N)C(=O)[O-])c1[N+](=O)[O-]	ZINC000199810020	175288986	/nfs/dbraw/zinc/28/89/86/175288986.db2.gz	COYXMYINEKGECW-SSDOTTSWSA-N	-1	1	226.188	0.688	40	5		BCBBMM