smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c([O-])c1	ZINC000557069178	1123301257	/nfs/dbraw/zinc/30/12/57/1123301257.db2.gz	WXFCMMIBDGBJCD-UHFFFAOYSA-N	-2	3	330.340	3.556	20	5		EHBDHL
O=[N+]([O-])c1cc(Nc2ccc([O-])c(Br)c2)ccc1[O-]	ZINC001210400742	1017960867	/nfs/dbraw/zinc/96/08/67/1017960867.db2.gz	KTPFCBDNJWDPKZ-UHFFFAOYSA-N	-2	3	325.118	3.512	20	5		EHBDHL
CC[C@@H](C)c1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1	ZINC000180781001	1016906685	/nfs/dbraw/zinc/90/66/85/1016906685.db2.gz	VHCFLYUTCUSZNP-SSDOTTSWSA-N	-2	3	339.735	3.708	20	5		EHBDHL
CCCc1cc(=O)[n-]c(C(=Cc2cc([O-])ccc2[N+](=O)[O-])CC)n1	ZINC000435337473	1024806301	/nfs/dbraw/zinc/80/63/01/1024806301.db2.gz	WOPLJCNWALTBEW-DHZHZOJOSA-N	-2	3	329.356	3.699	20	5		EHBDHL
CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c([O-])c1	ZINC000506257333	1022733181	/nfs/dbraw/zinc/73/31/81/1022733181.db2.gz	YRNQUAHUGKADCZ-UHFFFAOYSA-N	-2	3	330.340	3.556	20	5		EHBDHL
CC(C)(C)c1ccc([O-])c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1	ZINC000540588030	1038137754	/nfs/dbraw/zinc/13/77/54/1038137754.db2.gz	RGNDITWWIMMIEL-UHFFFAOYSA-N	-2	3	330.340	3.556	20	5		EHBDHL
O=c1[n-]c(F)c(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl	ZINC001199814035	1135930836	/nfs/dbraw/zinc/93/08/36/1135930836.db2.gz	BSYQVTPFKPOSGS-UHFFFAOYSA-N	-2	3	334.090	3.591	20	5		EHBDHL
CC[C@H](C)c1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1	ZINC000180781022	1016908249	/nfs/dbraw/zinc/90/82/49/1016908249.db2.gz	VHCFLYUTCUSZNP-ZETCQYMHSA-N	-2	3	339.735	3.708	20	5		EHBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(Br)c2[O-])c1	ZINC001201229798	1135997443	/nfs/dbraw/zinc/99/74/43/1135997443.db2.gz	SSEMPZAICIVVIA-UHFFFAOYSA-N	-2	3	343.108	3.651	20	5		EHBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)ccc(F)c1F	ZINC000186109702	1026227857	/nfs/dbraw/zinc/22/78/57/1026227857.db2.gz	FHDWKUPMYUEJNF-UHFFFAOYSA-N	-2	3	346.648	3.623	20	5		EHBDHL