smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000103140264	560838770	/nfs/dbraw/zinc/83/87/70/560838770.db2.gz	SKEXRTWFRRASLF-IEBWSBKVSA-N	-1	2	409.398	3.066	50	5		HGBALM
O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000101053155	560767754	/nfs/dbraw/zinc/76/77/54/560767754.db2.gz	VKJQQNNZECEUED-HIFRSBDPSA-N	-1	2	406.181	3.194	50	5		HGBALM
O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cc(Cl)cc(Cl)c1	ZINC000103563660	560843261	/nfs/dbraw/zinc/84/32/61/560843261.db2.gz	HYFHXRTXODHYDI-DZGCQCFKSA-N	-1	2	406.181	3.194	50	5		HGBALM
O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560732	560843284	/nfs/dbraw/zinc/84/32/84/560843284.db2.gz	SDGHOJSHRSGDFO-ZFWWWQNUSA-N	-1	2	406.181	3.194	50	5		HGBALM
O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560743	560843251	/nfs/dbraw/zinc/84/32/51/560843251.db2.gz	SDGHOJSHRSGDFO-UKRRQHHQSA-N	-1	2	406.181	3.194	50	5		HGBALM
O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560738	560843291	/nfs/dbraw/zinc/84/32/91/560843291.db2.gz	SDGHOJSHRSGDFO-DZGCQCFKSA-N	-1	2	406.181	3.194	50	5		HGBALM
O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000103559249	560843039	/nfs/dbraw/zinc/84/30/39/560843039.db2.gz	VKJQQNNZECEUED-UKRRQHHQSA-N	-1	2	406.181	3.194	50	5		HGBALM
NNC(=S)Nc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000025781561	558649707	/nfs/dbraw/zinc/64/97/07/558649707.db2.gz	MEUCHQDLZYLNQY-UHFFFAOYSA-N	-1	2	421.434	3.129	50	5	in-vitro	HGBALM