smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CSCCC(=O)N[O-]	379269540	541337433	/nfs/dbraw/zinc/33/74/33/541337433.db2.gz	ULFCYEQDYBADGL-UHFFFAOYSA-N	-1	3	177.269	1.271	20	5		ADBDHM
CCOCCC1(C(=O)N[O-])CCC1	393562083	573753248	/nfs/dbraw/zinc/75/32/48/573753248.db2.gz	GMPCZLMNXGYBKH-UHFFFAOYSA-N	-1	3	187.239	1.089	20	5		ADBDHM
CCOC(=O)c1cc([N+](=O)[O-])[n-]c1C	142812886	167369704	/nfs/dbraw/zinc/36/97/04/167369704.db2.gz	SIVZJACKZNBFOX-UHFFFAOYSA-N	-1	3	198.178	1.408	20	5	in-vitro	ADBDHM
COc1c([O-])cccc1[N+](=O)[O-]	34122856	343111419	/nfs/dbraw/zinc/11/14/19/343111419.db2.gz	JBDBITFUVSELQN-UHFFFAOYSA-N	-1	3	169.136	1.309	20	5		ADBDHM
O=c1[n-]ccc(NC2CC2)c1[N+](=O)[O-]	596055059	346872592	/nfs/dbraw/zinc/87/25/92/346872592.db2.gz	CZCKYCWXVBKVSU-UHFFFAOYSA-N	-1	3	195.178	1.270	20	5		ADBDHM
O=Cc1[n-]nc2cccc([N+](=O)[O-])c12	21985630	351409779	/nfs/dbraw/zinc/40/97/79/351409779.db2.gz	HZXBMQKURMFKQB-UHFFFAOYSA-N	-1	3	191.146	1.284	20	5		ADBDHM
O=Cc1n[n-]c2cccc([N+](=O)[O-])c12	21985630	351409782	/nfs/dbraw/zinc/40/97/82/351409782.db2.gz	HZXBMQKURMFKQB-UHFFFAOYSA-N	-1	3	191.146	1.284	20	5		ADBDHM
O=c1s[n-]c2ccc([N+](=O)[O-])cc12	138306804	351742873	/nfs/dbraw/zinc/74/28/73/351742873.db2.gz	MIWVBBNKISUBJZ-UHFFFAOYSA-N	-1	3	196.187	1.498	20	5		ADBDHM
CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	575501050	352410191	/nfs/dbraw/zinc/41/01/91/352410191.db2.gz	WYAHRKWVRIFWBP-UHFFFAOYSA-N	-1	3	183.167	1.127	20	5		ADBDHM