smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1[C@H](O)[C@H]2[C@@H](O[C@@H]1CO)n1c3ccc([N+](=O)[O-])cc3c3c4c(c5c6cc([N+](=O)[O-])ccc6n2c5c31)C(=O)[N-]C4=O	ZINC000028762781	561958616	/nfs/dbraw/zinc/95/86/16/561958616.db2.gz	YITNYRWNSKLVHN-SFSUPHRBSA-N	-1	1	573.474	2.423	1	5		KEBFMM
CO[C@H]1[C@H](O)[C@H]2[C@@H](O[C@@H]1CO)n1c3ccc(C=O)cc3c3c4c(c5c6cc(C=O)ccc6n2c5c31)C(=O)[N-]C4=O	ZINC000028763526	561958668	/nfs/dbraw/zinc/95/86/68/561958668.db2.gz	XJHZIUMRWAVNQE-BATDLHLMSA-N	-1	1	539.500	2.231	1	5		KEBFMM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000049777742	562680486	/nfs/dbraw/zinc/68/04/86/562680486.db2.gz	DDWCXFZXSNICDL-KCHLEUMXSA-N	-1	1	644.641	2.401	1	5		KEBFMM
CCOC(=O)c1c([O-])c(C(c2ccc(Cl)c([N+](=O)[O-])c2)c2c(=O)[nH]c(N3CCOCC3)c(C(=O)OCC)c2O)c(=O)[nH]c1N1CCOCC1	ZINC000082185385	562742307	/nfs/dbraw/zinc/74/23/07/562742307.db2.gz	AUDYBDDPCIEKOO-UHFFFAOYSA-N	-1	1	704.089	2.243	1	5		KEBFMM
O=c1c2cccc([O-])c2c(=O)c2c1c1c(=O)c3c(O)cccc3c(=O)c1c1c(=O)c3c(O)cccc3c(=O)c21	ZINC000085974153	571792900	/nfs/dbraw/zinc/79/29/00/571792900.db2.gz	DNGCQXLPUZWYNB-UHFFFAOYSA-N	-1	1	516.417	2.197	1	5	endogenous,in-man	KEBFMM
O=C(CS(=O)(=O)[N-]c1nc2ccc([N+](=O)[O-])cc2s1)C1C(=O)N2c3ccc([N+](=O)[O-])cc3SC2=NS1(=O)=O	ZINC000100889845	562808452	/nfs/dbraw/zinc/80/84/52/562808452.db2.gz	LIVFZODFOBSWFM-NTCAYCPXSA-N	-1	1	598.578	2.462	1	5		KEBFMM
COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc([O-])c3c2=O)S1)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000169347517	562862040	/nfs/dbraw/zinc/86/20/40/562862040.db2.gz	XJLKLBBNPDGOJG-UYXZNNOOSA-N	-1	1	573.532	2.425	1	5		KEBFMM
COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(=O)c-3c2[O-])S1)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000169347517	562862039	/nfs/dbraw/zinc/86/20/39/562862039.db2.gz	XJLKLBBNPDGOJG-UYXZNNOOSA-N	-1	1	573.532	2.425	1	5		KEBFMM