smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000833384386	604664988	/nfs/dbraw/zinc/66/49/88/604664988.db2.gz	IFKKGPFBTZSOCV-UHFFFAOYSA-N	-1	2	239.187	1.292	20	50		BDGDLM
CCC(CC)n1ccc(C(=O)NNC(=O)[O-])n1	ZINC000826575482	605203193	/nfs/dbraw/zinc/20/31/93/605203193.db2.gz	IYJNDWIBGUKUOV-UHFFFAOYSA-N	-1	2	240.263	1.157	20	50		BDGDLM
O=C([O-])NNC(=O)c1nc2ccccc2s1	ZINC000834251810	605363270	/nfs/dbraw/zinc/36/32/70/605363270.db2.gz	VHFWKCHVAGEHRO-UHFFFAOYSA-N	-1	2	237.240	1.209	20	50		BDGDLM
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC000390235729	972271717	/nfs/dbraw/zinc/27/17/17/972271717.db2.gz	FZNWFDSJATVEKB-BHQIHCQQSA-N	-1	2	225.150	1.662	20	50		BDGDLM
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000833064507	979076758	/nfs/dbraw/zinc/07/67/58/979076758.db2.gz	RXHVYMNLABCIKU-XVNBXDOJSA-N	-1	2	234.167	1.292	20	50		BDGDLM
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC000390235730	972271555	/nfs/dbraw/zinc/27/15/55/972271555.db2.gz	FZNWFDSJATVEKB-LZCJLJQNSA-N	-1	2	225.150	1.662	20	50		BDGDLM
O=C([O-])NNC(=O)c1cc(F)cc(Cl)c1O	ZINC000832748042	605526080	/nfs/dbraw/zinc/52/60/80/605526080.db2.gz	BYGMCSFWSSTDGM-UHFFFAOYSA-N	-1	2	248.597	1.097	20	50		BDGDLM
N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000833064500	979076740	/nfs/dbraw/zinc/07/67/40/979076740.db2.gz	RXHVYMNLABCIKU-CLTKARDFSA-N	-1	2	234.167	1.292	20	50		BDGDLM