smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(N)c([N+](=O)[O-])c(=O)[n-]c1=O	4085840	169032289	/nfs/dbraw/zinc/03/22/89/169032289.db2.gz	MIWHTOMZYBTGCT-UHFFFAOYSA-N	-1	0	186.127	-1.436	50	5		AABARM
Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O	2562221	169043498	/nfs/dbraw/zinc/04/34/98/169043498.db2.gz	JTVBCXIVJCAUBK-UHFFFAOYSA-N	-1	0	171.112	-1.018	50	5		AABARM
Nc1nc(N)c([N+](=O)[O-])c(=O)[n-]1	16989893	169305570	/nfs/dbraw/zinc/30/55/70/169305570.db2.gz	XNFGVBWYGFPSDN-UHFFFAOYSA-N	-1	0	171.116	-1.158	50	5	in-vivo	AABARM
Nc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	4761886	171014180	/nfs/dbraw/zinc/01/41/80/171014180.db2.gz	SNNFJRQZJGEAQU-UHFFFAOYSA-N	-1	0	172.100	-1.446	50	5	in-vitro	AABARM
O=c1c([N+](=O)[O-])nnc2[n-]cnn12	100016682	171211406	/nfs/dbraw/zinc/21/14/06/171211406.db2.gz	PJWJEUJIMJNSEA-UHFFFAOYSA-N	-1	0	182.099	-1.279	50	5		AABARM
O=[N+]([O-])c1nnnn1Cc1nnn[n-]1	33908802	1423638850	/nfs/dbraw/zinc/63/88/50/1423638850.db2.gz	UDYVWNFAYBHREK-UHFFFAOYSA-N	-1	0	197.118	-1.857	50	5		AABARM