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(Cc1c[nH+]c[nH]1)Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001176832108	1068381336	/nfs/dbraw/zinc/38/13/36/1068381336.db2.gz	IMFKVMOMYDGSSX-UHFFFAOYSA-N	-2	2	491.481	0.484	20	0		JCADLL
O=C(Cc1c[nH]c[nH+]1)Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001176832108	1068381314	/nfs/dbraw/zinc/38/13/14/1068381314.db2.gz	IMFKVMOMYDGSSX-UHFFFAOYSA-N	-2	2	491.481	0.484	20	0		JCADLL
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c1	ZINC001186570892	1069104089	/nfs/dbraw/zinc/10/40/89/1069104089.db2.gz	XRMQUMRFOZOJLZ-UHFFFAOYSA-N	-2	2	481.482	0.776	20	0		JCADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCCC2)C[C@@H]1O	ZINC001191489007	1069411204	/nfs/dbraw/zinc/41/12/04/1069411204.db2.gz	IANYAJOLFRXXBX-YNEHKIRRSA-N	-2	2	477.436	0.516	20	0		JCADLL
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2NS(=O)(=O)C[C@@H]1CCCO1	ZINC001193264142	1069494194	/nfs/dbraw/zinc/49/41/94/1069494194.db2.gz	NROFCVCQADRVJW-JTQLQIEISA-N	-2	2	467.499	0.960	20	0		JCADLL
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2NS(=O)(=O)C[C@H]1CCCO1	ZINC001193264143	1069494095	/nfs/dbraw/zinc/49/40/95/1069494095.db2.gz	NROFCVCQADRVJW-SNVBAGLBSA-N	-2	2	467.499	0.960	20	0		JCADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCC2)C[C@@H]1O	ZINC001193471076	1069505650	/nfs/dbraw/zinc/50/56/50/1069505650.db2.gz	HNDFBCHDWGAEOV-QJPTWQEYSA-N	-2	2	463.409	0.126	20	0		JCADLL
COC(=O)c1cc(C(=O)Nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3cccc(O)c32)n[nH]1	ZINC001194288522	1069535884	/nfs/dbraw/zinc/53/58/84/1069535884.db2.gz	HJFJBJSUSDARLN-UHFFFAOYSA-N	-2	2	471.425	0.801	20	0		JCADLL
COC(=O)c1cc(C(=O)Nc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3cccc(O)c32)[nH]n1	ZINC001194288522	1069535877	/nfs/dbraw/zinc/53/58/77/1069535877.db2.gz	HJFJBJSUSDARLN-UHFFFAOYSA-N	-2	2	471.425	0.801	20	0		JCADLL
COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)n[nH]1	ZINC001194288708	1069535695	/nfs/dbraw/zinc/53/56/95/1069535695.db2.gz	KXGNSDQDOZAVCN-UHFFFAOYSA-N	-2	2	471.425	0.801	20	0		JCADLL
COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)[nH]n1	ZINC001194288708	1069535683	/nfs/dbraw/zinc/53/56/83/1069535683.db2.gz	KXGNSDQDOZAVCN-UHFFFAOYSA-N	-2	2	471.425	0.801	20	0		JCADLL
C[Si](C)(C)CCS(=O)(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC001195042135	1069567244	/nfs/dbraw/zinc/56/72/44/1069567244.db2.gz	RVGRENMVIHAXLX-QJPTWQEYSA-N	-2	2	495.527	0.664	20	0		JCADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(F)cc1F	ZINC001195234011	1069571232	/nfs/dbraw/zinc/57/12/32/1069571232.db2.gz	CSEDBPVBXHSVNF-UHFFFAOYSA-N	-3	2	473.409	0.957	20	0		JCADLL
CCOC(=O)CS(=O)(=O)Nc1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC001195973091	1069607199	/nfs/dbraw/zinc/60/71/99/1069607199.db2.gz	KOHLMAATEGOTFZ-UHFFFAOYSA-N	-2	2	453.472	0.638	20	0		JCADLL
Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)n1C	ZINC001198399163	1069740484	/nfs/dbraw/zinc/74/04/84/1069740484.db2.gz	ZHOKMBNCWAHTDG-UHFFFAOYSA-N	-2	2	477.498	0.882	20	0		JCADLL
COC(=O)c1cncc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c1	ZINC001201857293	1069914746	/nfs/dbraw/zinc/91/47/46/1069914746.db2.gz	BMCXZLKXJAVNJA-UHFFFAOYSA-N	-2	2	452.444	0.162	20	0		JCADLL