smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc([N+](=O)[O-])cc(N)c1[O-]	38174050	343185725	/nfs/dbraw/zinc/18/57/25/343185725.db2.gz	NDIRLYVCYCTRCW-UHFFFAOYSA-N	-1	3	182.179	1.445	40	5		ADBBHM
CC(=O)c1ccc([N+](=O)[O-])[n-]1	1561732	166324445	/nfs/dbraw/zinc/32/44/45/166324445.db2.gz	LIJJWPMRFYFJFR-UHFFFAOYSA-N	-1	3	154.125	1.126	40	5	in-vitro	ADBBHM
CC(C)(C)c1c[n-]c(=O)c([N+](=O)[O-])c1	71255773	166384037	/nfs/dbraw/zinc/38/40/37/166384037.db2.gz	ZCNYCSXGEZHNOC-UHFFFAOYSA-N	-1	3	196.206	1.581	40	5		ADBBHM
CCCc1[n-]c(=O)c([N+](=O)[O-])cc1C	146443335	167097675	/nfs/dbraw/zinc/09/76/75/167097675.db2.gz	AKUOBYOLJIZRRY-UHFFFAOYSA-N	-1	3	196.206	1.544	40	5		ADBBHM
CNc1ccc([O-])cc1[N+](=O)[O-]	19045846	168067145	/nfs/dbraw/zinc/06/71/45/168067145.db2.gz	DQCLXPYMTDGXPJ-UHFFFAOYSA-N	-1	3	168.152	1.342	40	5		ADBBHM
O=[N+]([O-])c1c(Cl)ccc2[n-]nnc12	38338980	171069223	/nfs/dbraw/zinc/06/92/23/171069223.db2.gz	SPJKEMVEHGCBBF-UHFFFAOYSA-N	-1	3	198.569	1.520	40	5		ADBBHM
O=[N+]([O-])c1c(Cl)ccc2nn[n-]c12	38338980	171069226	/nfs/dbraw/zinc/06/92/26/171069226.db2.gz	SPJKEMVEHGCBBF-UHFFFAOYSA-N	-1	3	198.569	1.520	40	5		ADBBHM
O=c1[n-]cc2ccccc2c1[N+](=O)[O-]	98175201	171142544	/nfs/dbraw/zinc/14/25/44/171142544.db2.gz	HOPLUHLCXCKSEI-UHFFFAOYSA-N	-1	3	190.158	1.849	40	5		ADBBHM
COc1ccc([O-])c(/C=C\[N+](=O)[O-])c1	8652267	171191790	/nfs/dbraw/zinc/19/17/90/171191790.db2.gz	XHZXDCADXNMUGF-PLNGDYQASA-N	-1	3	195.174	1.648	40	5		ADBBHM
COc1ccc([O-])c(/C=C/[N+](=O)[O-])c1	1597663	342950537	/nfs/dbraw/zinc/95/05/37/342950537.db2.gz	XHZXDCADXNMUGF-SNAWJCMRSA-N	-1	3	195.174	1.648	40	5		ADBBHM
O=[N+]([O-])/C=C/c1ccc(O)cc1[O-]	2559392	342976397	/nfs/dbraw/zinc/97/63/97/342976397.db2.gz	ROLLGPMWNMQJCX-ONEGZZNKSA-N	-1	3	181.147	1.345	40	5		ADBBHM
O=c1[n-]oc2c([N+](=O)[O-])cccc12	34559485	343121898	/nfs/dbraw/zinc/12/18/98/343121898.db2.gz	USIDBICZJTWOCD-UHFFFAOYSA-N	-1	3	180.119	1.442	40	5		ADBBHM
O=[N+]([O-])c1cc([O-])c2c(c1)CCO2	38973532	343192553	/nfs/dbraw/zinc/19/25/53/343192553.db2.gz	GJNXQKJXVQYYFG-UHFFFAOYSA-N	-1	3	181.147	1.235	40	5		ADBBHM
CC(C)c1ccc([N+](=O)[O-])c(=O)[n-]1	39017789	343192938	/nfs/dbraw/zinc/19/29/38/343192938.db2.gz	JAEKSZHBPXNREH-UHFFFAOYSA-N	-1	3	182.179	1.407	40	5		ADBBHM
Cc1cc([O-])c(C)c([N+](=O)[O-])c1	43220571	343250543	/nfs/dbraw/zinc/25/05/43/343250543.db2.gz	HHBUAAXHXWSZAG-UHFFFAOYSA-N	-1	3	167.164	1.917	40	5		ADBBHM
Cc1cc([N+](=O)[O-])c(=O)[n-]c1C(C)C	146445534	344041064	/nfs/dbraw/zinc/04/10/64/344041064.db2.gz	WGVRCWZYSSGXQH-UHFFFAOYSA-N	-1	3	196.206	1.715	40	5		ADBBHM