smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cnnc(N)n2)cc1[N+](=O)[O-]	ZINC000004298969	175037082	/nfs/dbraw/zinc/03/70/82/175037082.db2.gz	HGUAEXLXTHDSTM-UHFFFAOYSA-N	0	0	247.214	1.038	30	5		BDBCRN
Nc1nncc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000004298973	181816309	/nfs/dbraw/zinc/81/63/09/181816309.db2.gz	SFENYYGTKANNSV-UHFFFAOYSA-N	0	0	217.188	1.029	30	5		BDBCRN
COC(=O)CC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000015443892	342896502	/nfs/dbraw/zinc/89/65/02/342896502.db2.gz	RJWOENCNDBYJFC-UHFFFAOYSA-N	0	0	237.211	1.270	30	5		BDBCRN
Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)c(N)n1	ZINC000013726673	343634991	/nfs/dbraw/zinc/63/49/91/343634991.db2.gz	AIZLSGCCJQCUJL-UHFFFAOYSA-N	0	0	245.242	1.140	30	5		BDBCRN
COc1cc([N+](=O)[O-])ccc1-n1ccnc1	ZINC000115093873	348951451	/nfs/dbraw/zinc/95/14/51/348951451.db2.gz	RCHPLYXDHICZAF-UHFFFAOYSA-N	0	0	219.200	1.789	30	5		BDBCRN
Nc1nncc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000004298971	398295630	/nfs/dbraw/zinc/29/56/30/398295630.db2.gz	MNHQKNGVGSPCRL-UHFFFAOYSA-N	0	0	217.188	1.029	30	5		BDBCRN