smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=CNc1ccc([N+](=O)[O-])cc1Cl	687727250	571895135	/nfs/dbraw/zinc/89/51/35/571895135.db2.gz	YGEAZFXOYYNZBY-UHFFFAOYSA-N	1	1	199.597	2.267	10	5		AEBEMO
CC(=[NH2+])Nc1cc(C)ccc1[N+](=O)[O-]	687759169	571959750	/nfs/dbraw/zinc/95/97/50/571959750.db2.gz	SHIHHYOFUYXJIB-UHFFFAOYSA-N	1	1	193.206	2.312	10	5		AEBEMO
CC(=[NH2+])Nc1ccccc1[N+](=O)[O-]	687761442	571962603	/nfs/dbraw/zinc/96/26/03/571962603.db2.gz	WSGTVYZRMVXHHC-UHFFFAOYSA-N	1	1	179.179	2.004	10	5		AEBEMO
O=c1[nH]c2cccc-2[nH+]c2ccccc12	238630312	572332952	/nfs/dbraw/zinc/33/29/52/572332952.db2.gz	VQXGBAYATNDPKJ-UHFFFAOYSA-N	1	1	196.209	2.028	10	5		AEBEMO
Nc1cc[nH+]c2ccc3ncccc3c12	28713568	169300561	/nfs/dbraw/zinc/30/05/61/169300561.db2.gz	WRKJTQULCPMYDS-UHFFFAOYSA-N	1	1	195.225	2.365	10	5		AEBEMO
CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	140199707	343999071	/nfs/dbraw/zinc/99/90/71/343999071.db2.gz	HSPCMIWALCEHET-UHFFFAOYSA-N	1	1	194.234	2.047	10	5		AEBEMO
O=[N+]([O-])c1ccc(C2=[NH+]CCC2)cc1	584623248	346731834	/nfs/dbraw/zinc/73/18/34/346731834.db2.gz	BTXSXGFPKYXRGO-UHFFFAOYSA-N	1	1	190.202	2.178	10	5		AEBEMO
CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1	603582034	346956640	/nfs/dbraw/zinc/95/66/40/346956640.db2.gz	MCAVDRGOFAJJJR-UHFFFAOYSA-N	1	1	194.234	2.047	10	5		AEBEMO
c1cc2ccc3[nH+]cn4ccc(n1)c2c34	45238315	351543397	/nfs/dbraw/zinc/54/33/97/351543397.db2.gz	NTDOGJIVHYSUMO-UHFFFAOYSA-N	1	1	193.209	2.474	10	5		AEBEMO