smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])cc1F)c1c(F)cccc1F	ZINC000097058371	426444802	/nfs/dbraw/zinc/44/48/02/426444802.db2.gz	MGYCYRJLOASGQG-UHFFFAOYSA-N	-2	3	303.261	2.610	50	10		DFCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000000073714	425532788	/nfs/dbraw/zinc/53/27/88/425532788.db2.gz	OXHBGWNGARQYRT-UHFFFAOYSA-N	-2	3	321.354	2.508	50	10		DFCAHL
O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1[O-]	ZINC000012339022	425723082	/nfs/dbraw/zinc/72/30/82/425723082.db2.gz	ARKQCBSGSQCIEZ-YWEYNIOJSA-N	-2	3	316.201	2.644	50	10		DFCAHL
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1[O-]	ZINC000015018412	425778363	/nfs/dbraw/zinc/77/83/63/425778363.db2.gz	HKVQFQDFGYGDCE-UITAMQMPSA-N	-2	3	315.803	2.933	50	10		DFCAHL
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2[O-])N1	ZINC000000188477	280072388	/nfs/dbraw/zinc/07/23/88/280072388.db2.gz	OBBYLBAQSYGCOE-ZBFHGGJFSA-N	-2	3	308.337	2.562	50	10		DFCAHL
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2[O-])N1	ZINC000000188474	304151010	/nfs/dbraw/zinc/15/10/10/304151010.db2.gz	OBBYLBAQSYGCOE-GOEBONIOSA-N	-2	3	308.337	2.562	50	10		DFCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)[O-]	ZINC000226858303	426624020	/nfs/dbraw/zinc/62/40/20/426624020.db2.gz	RYBKVGQMBNXDJA-UHFFFAOYSA-N	-2	3	321.354	2.508	50	10		DFCAHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000390834044	398673145	/nfs/dbraw/zinc/67/31/45/398673145.db2.gz	QTPYPYZFZVATBD-UHFFFAOYSA-N	-2	3	309.343	2.605	50	10		DFCAHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(F)cc1	ZINC000000442994	425561726	/nfs/dbraw/zinc/56/17/26/425561726.db2.gz	PPGMDHPWICKRAI-UHFFFAOYSA-N	-2	3	301.726	2.986	50	10		DFCAHL
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2[O-])N1	ZINC000000188478	425543653	/nfs/dbraw/zinc/54/36/53/425543653.db2.gz	OBBYLBAQSYGCOE-HOCLYGCPSA-N	-2	3	308.337	2.562	50	10		DFCAHL
O=C1[N-]C(=S)S/C1=C/c1ccc([O-])c(Br)c1	ZINC000001206510	304658488	/nfs/dbraw/zinc/65/84/88/304658488.db2.gz	BXNBJOXWUKTWQF-XBXARRHUSA-N	-2	3	316.201	2.644	50	10		DFCAHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000000288845	425550966	/nfs/dbraw/zinc/55/09/66/425550966.db2.gz	STDORJMXHFZTBH-UHFFFAOYSA-N	-2	3	313.762	2.855	50	10		DFCAHL
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1[O-]	ZINC000013549740	425755670	/nfs/dbraw/zinc/75/56/70/425755670.db2.gz	JQHNMOBIGLDQDV-YWEYNIOJSA-N	-2	3	301.776	2.543	50	10		DFCAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000226857351	426623882	/nfs/dbraw/zinc/62/38/82/426623882.db2.gz	KMWQCPYGZBRGTG-UHFFFAOYSA-N	-2	3	321.354	2.508	50	10		DFCAHL
CN(C)Cc1c([O-])ccc2c([O-])c(-c3ccccc3)c(=O)oc21	ZINC000020759972	425794108	/nfs/dbraw/zinc/79/41/08/425794108.db2.gz	GWAASZPEOFNSKW-UHFFFAOYSA-N	-2	3	311.337	2.933	50	10		DFCAHL
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2[O-])N1	ZINC000000188472	295989043	/nfs/dbraw/zinc/98/90/43/295989043.db2.gz	OBBYLBAQSYGCOE-GDBMZVCRSA-N	-2	3	308.337	2.562	50	10		DFCAHL
COc1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000040918352	183148481	/nfs/dbraw/zinc/14/84/81/183148481.db2.gz	FVANZQZQOXHAPG-UHFFFAOYSA-N	-2	3	300.266	2.585	50	10		DFCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(C)c1	ZINC000000073683	425532829	/nfs/dbraw/zinc/53/28/29/425532829.db2.gz	ZAYQGNRLMZEFRD-UHFFFAOYSA-N	-2	3	321.354	2.508	50	10		DFCAHL
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc([O-])c(O)c2)n1	ZINC000011443377	425708800	/nfs/dbraw/zinc/70/88/00/425708800.db2.gz	TYHUBIIBTDCXPI-UHFFFAOYSA-N	-2	3	320.370	2.521	50	10		DFCAHL
COc1ccc(-c2cc(=O)c3c([O-])c(O)c([O-])cc3o2)cc1	ZINC000014813963	425774696	/nfs/dbraw/zinc/77/46/96/425774696.db2.gz	XVMMEYCPXZYLAI-UHFFFAOYSA-N	-2	3	300.266	2.585	50	10	biogenic,in-vitro	DFCAHL
COc1cc([O-])c2c3oc4cc([O-])c(O)cc4c3c(=O)oc2c1	ZINC000006483512	295004123	/nfs/dbraw/zinc/00/41/23/295004123.db2.gz	XQDCKJKKMFWXGB-UHFFFAOYSA-N	-2	3	314.249	2.818	50	10	biogenic,in-vivo	DFCAHL