smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2ccc([N+](=O)[O-])cc2[n+]([O-])[n-]1	ZINC000001620152	183009889	/nfs/dbraw/zinc/00/98/89/183009889.db2.gz	WZYFVLNMNMFAEC-UHFFFAOYSA-N	-1	3	208.133	-0.535	10	5		BBBEHM
NN=c1nc[n-]c(N2CCOCC2)c1[N+](=O)[O-]	ZINC000040609884	132348105	/nfs/dbraw/zinc/34/81/05/132348105.db2.gz	MEEHEVBWUUWFKB-UHFFFAOYSA-N	-1	3	240.223	-0.493	10	5		BBBEHM
CN1CCN(c2nc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000040610494	132348208	/nfs/dbraw/zinc/34/82/08/132348208.db2.gz	JJALPLPYKAAUIY-UHFFFAOYSA-N	-1	3	239.235	-0.158	10	5		BBBEHM
COCCNc1[n-]cnc(=NN)c1[N+](=O)[O-]	ZINC000040656686	174342872	/nfs/dbraw/zinc/34/28/72/174342872.db2.gz	AFSOJEUICQZCEF-UHFFFAOYSA-N	-1	3	228.212	-0.271	10	5		BBBEHM
C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000069800616	373807185	/nfs/dbraw/zinc/80/71/85/373807185.db2.gz	KGLWRZQTAWNTOG-UHFFFAOYSA-N	-1	3	217.206	-0.102	10	5		BBBEHM
N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000069800623	370988456	/nfs/dbraw/zinc/98/84/56/370988456.db2.gz	SOXXMNYQLIFOQC-UHFFFAOYSA-N	-1	3	218.194	-0.858	10	5		BBBEHM
O=[N+]([O-])c1cc(CNC[C@@H](O)CO)ccc1[O-]	ZINC000083370058	538476095	/nfs/dbraw/zinc/47/60/95/538476095.db2.gz	XWSCYWHNMGAZAC-MRVPVSSYSA-N	-1	3	242.231	-0.257	10	5		BBBEHM
COC[C@@H](O)Cc1c[n-]c([N+](=O)[O-])n1	ZINC000584610762	358274441	/nfs/dbraw/zinc/27/44/41/358274441.db2.gz	RWAFIQZGOJPVRM-LURJTMIESA-N	-1	3	201.182	-0.132	10	5		BBBEHM
COC[C@@H](O)Cc1cnc([N+](=O)[O-])[n-]1	ZINC000584610762	358274438	/nfs/dbraw/zinc/27/44/38/358274438.db2.gz	RWAFIQZGOJPVRM-LURJTMIESA-N	-1	3	201.182	-0.132	10	5		BBBEHM
Cc1c2c(cc([N+](=O)[O-])c1F)C(=O)C(=O)[N-]2	ZINC000757191795	586436056	/nfs/dbraw/zinc/43/60/56/586436056.db2.gz	URCFZNCWZFCXBM-UHFFFAOYSA-N	-1	3	224.147	-0.132	10	5		BBBEHM
Cc1c2c(cc([N+](=O)[O-])c1F)=C([O-])C(=O)N=2	ZINC000757191795	586436054	/nfs/dbraw/zinc/43/60/54/586436054.db2.gz	URCFZNCWZFCXBM-UHFFFAOYSA-N	-1	3	224.147	-0.132	10	5		BBBEHM