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(CN1C(=O)CSC1=S)Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21	ZINC001144849746	1070448786	/nfs/dbraw/zinc/44/87/86/1070448786.db2.gz	GTAYEDULZSDGGV-UHFFFAOYSA-N	-2	0	492.534	0.838	20	10		JCCDRL
O=C(CN1C(=O)CSC1=S)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC001144850588	1070448656	/nfs/dbraw/zinc/44/86/56/1070448656.db2.gz	XLTNBXFVDNTMRK-UHFFFAOYSA-N	-2	0	492.534	0.838	20	10		JCCDRL
CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001152238093	1069601276	/nfs/dbraw/zinc/60/12/76/1069601276.db2.gz	CYZYPNLIWHHCGM-ZDUSSCGKSA-N	-2	0	495.404	0.479	20	10		JCCDRL
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)NCc3cc4n(n3)CCCO4)cc(C(=O)[O-])nc1C(=O)C2=O	ZINC001152238550	1069601931	/nfs/dbraw/zinc/60/19/31/1069601931.db2.gz	KIWJPYBFAXCGIF-UHFFFAOYSA-N	-2	0	465.378	0.761	20	10		JCCDRL
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC001185548737	1068987125	/nfs/dbraw/zinc/98/71/25/1068987125.db2.gz	PFFIKYHRYMFSRH-MRVPVSSYSA-N	-2	0	472.387	0.651	20	10		JCCDRL
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC001185548741	1068986918	/nfs/dbraw/zinc/98/69/18/1068986918.db2.gz	PFFIKYHRYMFSRH-QMMMGPOBSA-N	-2	0	472.387	0.651	20	10		JCCDRL
CCOCCS(=O)(=O)[N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001187286808	1069225540	/nfs/dbraw/zinc/22/55/40/1069225540.db2.gz	NNDOKGCWMWWNFY-UHFFFAOYSA-N	-2	0	471.465	0.898	20	10		JCCDRL
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3c[nH]cn3)c(O)c(S(=O)(=O)[O-])c(O)c21	ZINC001187768771	1069253448	/nfs/dbraw/zinc/25/34/48/1069253448.db2.gz	CAPVEOQDZDBPBW-UHFFFAOYSA-N	-2	0	465.421	0.644	20	10		JCCDRL
COC(=O)CCS(=O)(=O)[N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001188394413	1069273462	/nfs/dbraw/zinc/27/34/62/1069273462.db2.gz	CNFVMCFEQIPVGH-UHFFFAOYSA-N	-2	0	485.448	0.425	20	10		JCCDRL
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3ncc[nH]3)c(O)c(S(=O)(=O)[O-])c(O)c21	ZINC001190730690	1069375006	/nfs/dbraw/zinc/37/50/06/1069375006.db2.gz	WZYKIVUEQGHIAB-UHFFFAOYSA-N	-2	0	465.421	0.644	20	10		JCCDRL
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)c1cc(O)c([O-])c(Cl)c1	ZINC001193606191	1069512482	/nfs/dbraw/zinc/51/24/82/1069512482.db2.gz	VXIJDXXHGPWXFS-FYXCSKNLSA-N	-2	0	499.760	0.917	20	10		JCCDRL
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)c1cc(O)c([O-])c(Cl)c1	ZINC001193606192	1069512570	/nfs/dbraw/zinc/51/25/70/1069512570.db2.gz	VXIJDXXHGPWXFS-QGYZOODHSA-N	-2	0	499.760	0.917	20	10		JCCDRL
Cn1ccnc1S(=O)(=O)[N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001193610036	1069510798	/nfs/dbraw/zinc/51/07/98/1069510798.db2.gz	HNURWCSEPZLBRB-UHFFFAOYSA-N	-2	0	479.448	0.654	20	10		JCCDRL
Cn1[n-]c(C(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)cc1=O	ZINC001194203276	1069531666	/nfs/dbraw/zinc/53/16/66/1069531666.db2.gz	WGCGCALHEHCQOP-UHFFFAOYSA-N	-2	0	459.392	0.811	20	10		JCCDRL
COC(=O)c1cc(C(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)n[n-]1	ZINC001194288869	1069535839	/nfs/dbraw/zinc/53/58/39/1069535839.db2.gz	PLJJBFYQCSNTTP-UHFFFAOYSA-N	-2	0	487.402	0.882	20	10		JCCDRL
CCOC(=O)CS(=O)(=O)[N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001195984781	1069608193	/nfs/dbraw/zinc/60/81/93/1069608193.db2.gz	WCMOYYNRLAXJQC-UHFFFAOYSA-N	-2	0	485.448	0.425	20	10		JCCDRL
O=C([N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1snnc1CO	ZINC001196361581	1069639058	/nfs/dbraw/zinc/63/90/58/1069639058.db2.gz	GZZRDZOEXFLZRA-UHFFFAOYSA-N	-2	0	477.432	0.716	20	10		JCCDRL
Cc1ncc(S(=O)(=O)[N-]c2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)n1C	ZINC001198404737	1069741586	/nfs/dbraw/zinc/74/15/86/1069741586.db2.gz	XWAVYWFYTDKCNG-UHFFFAOYSA-N	-2	0	493.475	0.963	20	10		JCCDRL
COC(=O)CCCS(=O)(=O)[N-]c1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001201914682	1069925391	/nfs/dbraw/zinc/92/53/91/1069925391.db2.gz	LDNYUVYJGNKVDH-UHFFFAOYSA-N	-2	0	499.475	0.815	20	10		JCCDRL