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(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1csc(N2CCOCC2)n1	ZINC000012803028	1066415914	/nfs/dbraw/zinc/41/59/14/1066415914.db2.gz	NFDWVGMGLZISBP-UHFFFAOYSA-N	0	2	500.002	1.492	20	0		KDADLN
O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1csc(N2CCOCC2)n1	ZINC000022063196	1066203556	/nfs/dbraw/zinc/20/35/56/1066203556.db2.gz	CFQDAJBORGQYSR-UHFFFAOYSA-N	0	2	500.002	1.492	20	0		KDADLN
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1	ZINC000514295581	1066234424	/nfs/dbraw/zinc/23/44/24/1066234424.db2.gz	CLJXWJIDZNXEPY-UHFFFAOYSA-N	0	2	556.615	1.869	20	0		KDADLN
COC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	ZINC000514296130	1066232490	/nfs/dbraw/zinc/23/24/90/1066232490.db2.gz	GKJXXHJNPARWGF-KRWDZBQOSA-N	0	2	539.632	1.886	20	0		KDADLN
COC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	ZINC000514296134	1066232417	/nfs/dbraw/zinc/23/24/17/1066232417.db2.gz	GKJXXHJNPARWGF-QGZVFWFLSA-N	0	2	539.632	1.886	20	0		KDADLN
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1	ZINC000514297142	1066236319	/nfs/dbraw/zinc/23/63/19/1066236319.db2.gz	NYMGSICQMFJJFF-UHFFFAOYSA-N	0	2	533.650	1.244	20	0		KDADLN
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000514298190	1066241618	/nfs/dbraw/zinc/24/16/18/1066241618.db2.gz	WJTMGERDBXDISQ-UHFFFAOYSA-N	0	2	561.704	1.938	20	0		KDADLN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000514298214	1066241682	/nfs/dbraw/zinc/24/16/82/1066241682.db2.gz	XBGUTDLKDKXEHW-UHFFFAOYSA-N	0	2	517.651	1.921	20	0		KDADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000514380321	1066276995	/nfs/dbraw/zinc/27/69/95/1066276995.db2.gz	HYANIFIEOVRCIL-UHFFFAOYSA-N	0	2	547.677	1.546	20	0		KDADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000514388072	1066299455	/nfs/dbraw/zinc/29/94/55/1066299455.db2.gz	OMGWSYZRBPBYHL-UHFFFAOYSA-N	0	2	547.677	1.546	20	0		KDADLN
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000514394813	1066337127	/nfs/dbraw/zinc/33/71/27/1066337127.db2.gz	TWZUXIONBIJHGK-UHFFFAOYSA-N	0	2	559.688	1.736	20	0		KDADLN
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000514401645	1066321930	/nfs/dbraw/zinc/32/19/30/1066321930.db2.gz	AYIHCMHSOYNKCZ-UHFFFAOYSA-N	0	2	504.608	1.311	20	0		KDADLN
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000514403194	1066323540	/nfs/dbraw/zinc/32/35/40/1066323540.db2.gz	WTYGNEOKNJFUFR-UHFFFAOYSA-N	0	2	545.661	1.389	20	0		KDADLN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000514404353	1066325956	/nfs/dbraw/zinc/32/59/56/1066325956.db2.gz	DPDNBNZSWVHNBH-UHFFFAOYSA-N	0	2	517.651	1.921	20	0		KDADLN
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000514404405	1066341663	/nfs/dbraw/zinc/34/16/63/1066341663.db2.gz	GGNCHOKVTJCJOR-UHFFFAOYSA-N	0	2	504.608	1.311	20	0		KDADLN
CSC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CCc2ccc(Cl)cc2)[C@H](O)[C@@H]1O	ZINC001189072687	1066395591	/nfs/dbraw/zinc/39/55/91/1066395591.db2.gz	AZYAILQLTMMSCG-NVQRDWNXSA-N	0	2	500.002	1.446	20	0		KDADLN