smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1cc(O)ccc1[N+](=O)[O-]	96341564	168309250	/nfs/dbraw/zinc/30/92/50/168309250.db2.gz	MAHRYQFYCWBISP-UHFFFAOYSA-N	0	1	185.204	2.022	50	5		AEBAMN
O=[N+]([O-])c1cc(Cl)cc2c[nH]nc12	14985810	171028874	/nfs/dbraw/zinc/02/88/74/171028874.db2.gz	KQHCCQUSXVZFIZ-UHFFFAOYSA-N	0	1	197.581	2.125	50	5	in-vitro	AEBAMN
O=[N+]([O-])c1cc(Cl)cc2[nH]ncc12	14983194	171029017	/nfs/dbraw/zinc/02/90/17/171029017.db2.gz	ALKXLVRDXHYCOA-UHFFFAOYSA-N	0	1	197.581	2.125	50	5	in-vitro	AEBAMN
O=[N+]([O-])c1cc(C2CC2)ccc1O	19799492	171035845	/nfs/dbraw/zinc/03/58/45/171035845.db2.gz	WRBYDWVXPGURRB-UHFFFAOYSA-N	0	1	179.175	2.178	50	5		AEBAMN
CC(C)c1cccc([N+](=O)[O-])c1O	20286847	171038881	/nfs/dbraw/zinc/03/88/81/171038881.db2.gz	RRFSVDKJKYCCEK-UHFFFAOYSA-N	0	1	181.191	2.424	50	5	in-vitro	AEBAMN
O=[N+]([O-])c1c(Cl)ccc2[nH]ncc12	89196478	171133967	/nfs/dbraw/zinc/13/39/67/171133967.db2.gz	JIPHMTNGMPSQHL-UHFFFAOYSA-N	0	1	197.581	2.125	50	5		AEBAMN
O=[N+]([O-])c1cc(O)cc(Cl)c1F	238730462	171186731	/nfs/dbraw/zinc/18/67/31/171186731.db2.gz	IEMSQRYDECBNOD-UHFFFAOYSA-N	0	1	191.545	2.093	50	5		AEBAMN
Cc1ccc([N+](=O)[O-])c(Cl)c1O	2580756	342978789	/nfs/dbraw/zinc/97/87/89/342978789.db2.gz	FYPOFAFXSGYVLK-UHFFFAOYSA-N	0	1	187.582	2.262	50	5	in-vitro	AEBAMN
CC(C)c1ccc(O)c([N+](=O)[O-])c1	32166922	343099368	/nfs/dbraw/zinc/09/93/68/343099368.db2.gz	QYODOKUESLGDSA-UHFFFAOYSA-N	0	1	181.191	2.424	50	5		AEBAMN
Cc1cc([N+](=O)[O-])c(Cl)cc1O	114636713	343763587	/nfs/dbraw/zinc/76/35/87/343763587.db2.gz	TZQGYCQDUOULKI-UHFFFAOYSA-N	0	1	187.582	2.262	50	5		AEBAMN
O=[N+]([O-])c1ccc2c(Cl)n[nH]c2c1	4877343	351334468	/nfs/dbraw/zinc/33/44/68/351334468.db2.gz	IBTQINLHMGQUJU-UHFFFAOYSA-N	0	1	197.581	2.125	50	5	in-vitro	AEBAMN
Cc1c(O)ccc([N+](=O)[O-])c1Cl	307503308	352017548	/nfs/dbraw/zinc/01/75/48/352017548.db2.gz	WBQDMPDIVOKUFW-UHFFFAOYSA-N	0	1	187.582	2.262	50	5		AEBAMN