smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(CN2CCCCCC2)s1	ZINC000000236872	182928599	/nfs/dbraw/zinc/92/85/99/182928599.db2.gz	JCPJQXBRBFULNH-UHFFFAOYSA-N	0	1	240.328	3.032	50	5		BGBAMN
Cc1cc2cc3cc(N)c(C)cc3nc2cc1N	ZINC000004004217	178303202	/nfs/dbraw/zinc/30/32/02/178303202.db2.gz	BEGWQFTWOQOSIX-UHFFFAOYSA-N	0	1	237.306	3.169	50	5		BGBAMN
O=C([O-])c1c2ccccc2[nH+]c2ccccc21	ZINC000004181048	342743387	/nfs/dbraw/zinc/74/33/87/342743387.db2.gz	IYRYQBAAHMBIFT-UHFFFAOYSA-N	0	1	223.231	3.086	50	5		BGBAMN
O=[N+]([O-])c1ccc(-c2csc(=S)[nH]2)cc1	ZINC000005945108	351335789	/nfs/dbraw/zinc/33/57/89/351335789.db2.gz	RBHCBKMYKXKUJM-UHFFFAOYSA-N	0	1	238.293	3.007	50	5		BGBAMN
O=[N+]([O-])c1cc(C2CCCCC2)ccc1O	ZINC000019891484	182921653	/nfs/dbraw/zinc/92/16/53/182921653.db2.gz	YUQPJMAOUVWWOM-UHFFFAOYSA-N	0	1	221.256	3.348	50	5		BGBAMN
O=[N+]([O-])c1cc(Oc2ccccc2)ccc1O	ZINC000034457560	538954621	/nfs/dbraw/zinc/95/46/21/538954621.db2.gz	PVFPTCXTEHFQGM-UHFFFAOYSA-N	0	1	231.207	3.093	50	5		BGBAMN