smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccon1)[C@@H]1C[C@H]1[N+](=O)[O-]	891693758	673933283	/nfs/dbraw/zinc/93/32/83/673933283.db2.gz	FQBFPAFTSFAECP-RFZPGFLSSA-N	0	2	197.150	0.278	20	5		ACBDLN
COCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	1332501060	1170306433	/nfs/dbraw/zinc/30/64/33/1170306433.db2.gz	OAYRTJSQJYTJBL-RFZPGFLSSA-N	0	2	199.166	0.349	20	5		ACBDLN
Cc1[nH+]c(C(=O)[O-])cn1CC[N+](=O)[O-]	1607949562	1170796459	/nfs/dbraw/zinc/79/64/59/1170796459.db2.gz	RGACWHDCHFORGS-UHFFFAOYSA-N	0	2	199.166	0.166	20	5		ACBDLN
CN(C)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	904659398	582640101	/nfs/dbraw/zinc/64/01/01/582640101.db2.gz	UEUWKJSXTHKOOI-RFZPGFLSSA-N	0	2	198.182	0.268	20	5		ACBDLN
CC(C)ONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	839784562	582796307	/nfs/dbraw/zinc/79/63/07/582796307.db2.gz	XICYSNJMBXOXPD-PHDIDXHHSA-N	0	2	188.183	0.108	20	5		ACBDLN
CCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	844089992	583139029	/nfs/dbraw/zinc/13/90/29/583139029.db2.gz	CUCRYRVEUXNOCY-PHDIDXHHSA-N	0	2	188.183	0.109	20	5		ACBDLN
CCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	306185368	697723064	/nfs/dbraw/zinc/72/30/64/697723064.db2.gz	RHROBWFWVHCNGB-RFZPGFLSSA-N	0	2	183.167	0.765	20	5		ACBDLN
O=[N+]([O-])c1nc(Cl)c[nH]1	95935696	171140731	/nfs/dbraw/zinc/14/07/31/171140731.db2.gz	NYRMOYGIWWDUBA-UHFFFAOYSA-N	0	2	147.521	0.971	20	5		ACBDLN
NC(=O)c1cc(O)ccc1[N+](=O)[O-]	143992404	344023307	/nfs/dbraw/zinc/02/33/07/344023307.db2.gz	UDOVIEGERBRADX-UHFFFAOYSA-N	0	2	182.135	0.399	20	5		ACBDLN
NC(=O)c1cccc(O)c1[N+](=O)[O-]	238625982	344816555	/nfs/dbraw/zinc/81/65/55/344816555.db2.gz	ZVHZVFQXJBNVKX-UHFFFAOYSA-N	0	2	182.135	0.399	20	5		ACBDLN
O=c1cccc([N+](=O)[O-])[nH]1	90367551	351665027	/nfs/dbraw/zinc/66/50/27/351665027.db2.gz	XVVDYCAYALHWBJ-UHFFFAOYSA-N	0	2	140.098	0.283	20	5		ACBDLN
Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	307287067	629759338	/nfs/dbraw/zinc/75/93/38/629759338.db2.gz	SYAMFJOYPVMVDW-RFZPGFLSSA-N	0	2	169.140	0.511	20	5		ACBDLN