smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1C(=O)[O-]	ZINC000226858665	205158523	/nfs/dbraw/zinc/15/85/23/205158523.db2.gz	NMTFCKBEIMLMDI-UHFFFAOYSA-N	-1	2	348.405	3.104	40	0		EGABLM
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1	ZINC000340742113	456661179	/nfs/dbraw/zinc/66/11/79/456661179.db2.gz	SAUVGSWLPOJKRW-UHFFFAOYSA-N	-1	2	347.726	3.117	40	0		EGABLM
O=[P@@]([O-])(O)c1ccc(Oc2ccc(Br)cc2)cc1	ZINC000001870305	452678364	/nfs/dbraw/zinc/67/83/64/452678364.db2.gz	MFKPJPBWRMOEHX-UHFFFAOYSA-N	-1	2	329.086	3.044	40	0		EGABLM
O=[P@]([O-])(O)c1ccc(Oc2ccc(Br)cc2)cc1	ZINC000001870305	452678372	/nfs/dbraw/zinc/67/83/72/452678372.db2.gz	MFKPJPBWRMOEHX-UHFFFAOYSA-N	-1	2	329.086	3.044	40	0		EGABLM
CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000223369667	456055968	/nfs/dbraw/zinc/05/59/68/456055968.db2.gz	INSFYJNYGXKAOP-UHFFFAOYSA-N	-1	2	341.385	3.047	40	0		EGABLM
Cc1ccsc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000350730571	141263598	/nfs/dbraw/zinc/26/35/98/141263598.db2.gz	ULQYCORFVIEHIL-LLVKDONJSA-N	-1	2	339.438	3.121	40	0		EGABLM
Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1	ZINC000350740869	141264656	/nfs/dbraw/zinc/26/46/56/141264656.db2.gz	IVXWVPIIZDXMAD-SNVBAGLBSA-N	-1	2	339.438	3.121	40	0		EGABLM
Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000072636481	216285543	/nfs/dbraw/zinc/28/55/43/216285543.db2.gz	FOIHXAQXHPDFRB-UHFFFAOYSA-N	-1	2	343.763	3.287	40	0		EGABLM
Cc1n[nH]c(SC(=Cc2cc(Cl)cc(Cl)c2O)C(=O)[O-])n1	ZINC000008272191	453183473	/nfs/dbraw/zinc/18/34/73/453183473.db2.gz	BUIAFNGENWDZAB-OQFOIZHKSA-N	-1	2	346.195	3.343	40	0		EGABLM
Cc1nnc(SC(=Cc2cc(Cl)cc(Cl)c2O)C(=O)[O-])[nH]1	ZINC000008272191	453183480	/nfs/dbraw/zinc/18/34/80/453183480.db2.gz	BUIAFNGENWDZAB-OQFOIZHKSA-N	-1	2	346.195	3.343	40	0		EGABLM
Cc1csc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1	ZINC000451034069	310156960	/nfs/dbraw/zinc/15/69/60/310156960.db2.gz	CBJBUDXZRNZNFW-NSHDSACASA-N	-1	2	339.438	3.121	40	0		EGABLM
O=C([O-])C(CCOc1ccccc1)(CCc1ccccc1)C(=O)O	ZINC000001734085	452676851	/nfs/dbraw/zinc/67/68/51/452676851.db2.gz	SDFOZDONFWXCLD-UHFFFAOYSA-N	-1	2	328.364	3.244	40	0		EGABLM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl	ZINC000098077585	219079172	/nfs/dbraw/zinc/07/91/72/219079172.db2.gz	RXKJWVILWDSZII-UHFFFAOYSA-N	-1	2	343.763	3.287	40	0		EGABLM
Cc1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1	ZINC000350740868	141264523	/nfs/dbraw/zinc/26/45/23/141264523.db2.gz	IVXWVPIIZDXMAD-JTQLQIEISA-N	-1	2	339.438	3.121	40	0		EGABLM
Cc1ccsc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000350730572	141263653	/nfs/dbraw/zinc/26/36/53/141263653.db2.gz	ULQYCORFVIEHIL-NSHDSACASA-N	-1	2	339.438	3.121	40	0		EGABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1	ZINC000078353988	217043456	/nfs/dbraw/zinc/04/34/56/217043456.db2.gz	PAEVWEZCFIPEHU-UHFFFAOYSA-N	-1	2	347.726	3.117	40	0		EGABLM
O=C(O)CC(C(=O)[O-])(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21	ZINC000001708982	452674993	/nfs/dbraw/zinc/67/49/93/452674993.db2.gz	GARHBBZPCJKHOM-UHFFFAOYSA-N	-1	2	348.358	3.495	40	0		EGABLM
Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000078353994	217042580	/nfs/dbraw/zinc/04/25/80/217042580.db2.gz	UNGTXAHMLKMQIJ-UHFFFAOYSA-N	-1	2	343.763	3.287	40	0		EGABLM
COc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C(=O)[O-])(C(=O)O)C2	ZINC000001615618	295276747	/nfs/dbraw/zinc/27/67/47/295276747.db2.gz	RPXCLUYQUIOGQP-IBGZPJMESA-N	-1	2	340.375	3.103	40	0		EGABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc3ccccc32)c1	ZINC000007230461	453046228	/nfs/dbraw/zinc/04/62/28/453046228.db2.gz	GKJSPCSNQZYGBT-UHFFFAOYSA-N	-1	2	345.351	3.478	40	0		EGABLM
CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000078353984	217042887	/nfs/dbraw/zinc/04/28/87/217042887.db2.gz	GXAXEYACNLSJOC-UHFFFAOYSA-N	-1	2	337.372	3.196	40	0		EGABLM
COc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C(=O)[O-])(C(=O)O)C2	ZINC000004934622	295272932	/nfs/dbraw/zinc/27/29/32/295272932.db2.gz	RPXCLUYQUIOGQP-LJQANCHMSA-N	-1	2	340.375	3.103	40	0		EGABLM
Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000072636484	202365241	/nfs/dbraw/zinc/36/52/41/202365241.db2.gz	FMIWAGMLZZPSNX-UHFFFAOYSA-N	-1	2	343.763	3.287	40	0		EGABLM
Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)sc1Cl	ZINC000188446783	153016459	/nfs/dbraw/zinc/01/64/59/153016459.db2.gz	DJYFFNXTHJXFSQ-UHFFFAOYSA-N	-1	2	349.792	3.348	40	0		EGABLM
Cc1cccc2sc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)nc21	ZINC000004914023	452826630	/nfs/dbraw/zinc/82/66/30/452826630.db2.gz	XPYUZSRAVNVOCM-UHFFFAOYSA-N	-1	2	348.405	3.104	40	0		EGABLM
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000169875201	143994467	/nfs/dbraw/zinc/99/44/67/143994467.db2.gz	KINVWNCTCMCCJS-UHFFFAOYSA-N	-1	2	341.410	3.036	40	0		EGABLM
Cc1csc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1	ZINC000451034067	310156939	/nfs/dbraw/zinc/15/69/39/310156939.db2.gz	CBJBUDXZRNZNFW-LLVKDONJSA-N	-1	2	339.438	3.121	40	0		EGABLM
O=C([O-])c1ccc(NS(=O)(=O)c2csc3ccccc32)c(O)c1	ZINC000349102862	156353997	/nfs/dbraw/zinc/35/39/97/156353997.db2.gz	AIOKKVKWFIFBQV-UHFFFAOYSA-N	-1	2	349.389	3.106	40	0		EGABLM
CC(C)Oc1c(NS(=O)(=O)c2cccs2)cccc1C(=O)[O-]	ZINC000252496086	455814703	/nfs/dbraw/zinc/81/47/03/455814703.db2.gz	PEWXDOGOOCDSFB-UHFFFAOYSA-N	-1	2	341.410	3.034	40	0		EGABLM
Cc1csc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1	ZINC000451011096	310155324	/nfs/dbraw/zinc/15/53/24/310155324.db2.gz	BXVGLRLNNHJFMS-UHFFFAOYSA-N	-1	2	339.438	3.220	40	0		EGABLM
CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230458	453046306	/nfs/dbraw/zinc/04/63/06/453046306.db2.gz	WXIRJPXAFLLATI-UHFFFAOYSA-N	-1	2	341.385	3.047	40	0		EGABLM
O=C([O-])c1cccc2cccc(NS(=O)(=O)c3cccs3)c21	ZINC000011851864	211259548	/nfs/dbraw/zinc/25/95/48/211259548.db2.gz	DHCGGOXTXIGPSX-UHFFFAOYSA-N	-1	2	333.390	3.400	40	0		EGABLM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2s1	ZINC000226857666	242117058	/nfs/dbraw/zinc/11/70/58/242117058.db2.gz	YUKLKUPIPYVUOQ-UHFFFAOYSA-N	-1	2	348.405	3.104	40	0		EGABLM
Cc1n[nH]c(-c2ccc(OCC(=O)[O-])cc2O)c1-c1ccc(F)cc1	ZINC000005276874	452854530	/nfs/dbraw/zinc/85/45/30/452854530.db2.gz	MKCKGPAZTJVHQN-UHFFFAOYSA-N	-1	2	342.326	3.360	40	0		EGABLM