smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000787318475	1076761537	/nfs/dbraw/zinc/76/15/37/1076761537.db2.gz	AEVORSPRUGVHFN-JTQLQIEISA-N	-2	0	415.851	2.958	20	10		HFCDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)sc1Cl	ZINC000788697078	1077275130	/nfs/dbraw/zinc/27/51/30/1077275130.db2.gz	MFUAQQUMMGHJGE-UHFFFAOYSA-N	-2	0	424.909	2.580	20	10		HFCDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl	ZINC000790410808	1078020552	/nfs/dbraw/zinc/02/05/52/1078020552.db2.gz	CSOAEMIETXYBBT-UHFFFAOYSA-N	-2	0	401.824	2.952	20	10		HFCDRL
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1OC	ZINC000790067685	1077937406	/nfs/dbraw/zinc/93/74/06/1077937406.db2.gz	IXZMXMFAPQFKLE-UHFFFAOYSA-N	-2	0	416.795	2.550	20	10		HFCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)ccc1[O-]	ZINC000790072166	1077922016	/nfs/dbraw/zinc/92/20/16/1077922016.db2.gz	YJWDVTRNTUWWQR-UHFFFAOYSA-N	-2	0	418.924	2.878	20	10		HFCDRL
Cc1c(Br)cc([N-]S(=O)(=O)c2cccc3nonc32)cc1C(=O)[O-]	ZINC000790072195	1077922055	/nfs/dbraw/zinc/92/20/55/1077922055.db2.gz	ZBZBDWMHLDLYQN-UHFFFAOYSA-N	-2	0	412.221	2.793	20	10		HFCDRL
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(C)c1Cl	ZINC000788439882	1077147362	/nfs/dbraw/zinc/14/73/62/1077147362.db2.gz	YTNYBOSPZIPESI-UHFFFAOYSA-N	-2	0	405.837	2.701	20	10		HFCDRL
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1Cl	ZINC000788494156	1077180024	/nfs/dbraw/zinc/18/00/24/1077180024.db2.gz	VIJWYEKNRJQOLI-UHFFFAOYSA-N	-2	0	406.825	2.911	20	10		HFCDRL
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(C)c1Cl	ZINC000788438491	1077147437	/nfs/dbraw/zinc/14/74/37/1077147437.db2.gz	KEGRJKXYAMKJQJ-UHFFFAOYSA-N	-2	0	405.837	2.701	20	10		HFCDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(OC(F)(F)F)c1	ZINC000792698828	1077977895	/nfs/dbraw/zinc/97/78/95/1077977895.db2.gz	RBXZSFJIUVHXTE-UHFFFAOYSA-N	-3	0	422.293	2.698	20	10		HFCDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000790411971	1078020946	/nfs/dbraw/zinc/02/09/46/1078020946.db2.gz	XSRXENFTXCNUPB-UHFFFAOYSA-N	-2	0	401.824	2.709	20	10		HFCDRL
COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000787318478	1076761512	/nfs/dbraw/zinc/76/15/12/1076761512.db2.gz	AEVORSPRUGVHFN-SNVBAGLBSA-N	-2	0	415.851	2.958	20	10		HFCDRL
CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)c1	ZINC000790071500	1077921651	/nfs/dbraw/zinc/92/16/51/1077921651.db2.gz	LTZIADBQDPQPPP-UHFFFAOYSA-N	-2	0	418.924	2.707	20	10		HFCDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F	ZINC000792700063	1077977937	/nfs/dbraw/zinc/97/79/37/1077977937.db2.gz	YKENASRFKHSSIZ-UHFFFAOYSA-N	-2	0	419.333	2.992	20	10		HFCDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1	ZINC000790409703	1078020198	/nfs/dbraw/zinc/02/01/98/1078020198.db2.gz	VBYMBQOERRXKAL-UHFFFAOYSA-N	-2	0	413.423	2.974	20	10		HFCDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl	ZINC000790408638	1078020234	/nfs/dbraw/zinc/02/02/34/1078020234.db2.gz	CILOJMNFYRIFLS-UHFFFAOYSA-N	-2	0	401.824	2.952	20	10		HFCDRL