smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(O)c([O-])c1Cl	ZINC001193230610	1051894019	/nfs/dbraw/zinc/89/40/19/1051894019.db2.gz	XTCDMPRVRCLXHG-UHFFFAOYSA-N	-2	3	348.569	4.016	20	10		EICDHL
CCCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC001191248466	1051411331	/nfs/dbraw/zinc/41/13/31/1051411331.db2.gz	CLWUVWPXWRQVKT-UHFFFAOYSA-N	-2	3	339.844	4.189	20	10		EICDHL
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808115887	1047610497	/nfs/dbraw/zinc/61/04/97/1047610497.db2.gz	XHRFZBHULZICKA-UHFFFAOYSA-N	-2	3	343.807	4.109	20	10		EICDHL
CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748831	1053828811	/nfs/dbraw/zinc/82/88/11/1053828811.db2.gz	KIUULJGRWUAICA-UHFFFAOYSA-N	-2	3	339.844	4.144	20	10		EICDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c2ccccc12	ZINC001193865304	1052018962	/nfs/dbraw/zinc/01/89/62/1052018962.db2.gz	XYAJUWJLTPTVGN-UHFFFAOYSA-N	-2	3	347.823	4.308	20	10		EICDHL
CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000766891675	1061053829	/nfs/dbraw/zinc/05/38/29/1061053829.db2.gz	JJEBERCSXSDJCN-UHFFFAOYSA-N	-2	3	346.235	4.062	20	10		EICDHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(-c2cccs2)cc1	ZINC001194161579	1052091860	/nfs/dbraw/zinc/09/18/60/1052091860.db2.gz	FRZRIJDZICIMON-UHFFFAOYSA-N	-2	3	349.408	4.061	20	10		EICDHL
O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(O)c([O-])c(Cl)c1	ZINC001193626167	1051956254	/nfs/dbraw/zinc/95/62/54/1051956254.db2.gz	WMSOYCWAZBGNFM-UHFFFAOYSA-N	-2	3	348.569	4.016	20	10		EICDHL
CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808113883	1047608153	/nfs/dbraw/zinc/60/81/53/1047608153.db2.gz	KHZMZNIWJHJPMG-UHFFFAOYSA-N	-2	3	343.807	4.109	20	10		EICDHL