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([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1	ZINC000013366833	845915130	/nfs/dbraw/zinc/91/51/30/845915130.db2.gz	VAQXVDPWNNPPDF-GIDUJCDVSA-N	-2	1	407.447	4.082	20	30		HIEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410058541	855805058	/nfs/dbraw/zinc/80/50/58/855805058.db2.gz	LBWSTIQUPRGSSE-UHFFFAOYSA-N	-2	1	418.780	4.038	20	30		HIEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000475730815	890669401	/nfs/dbraw/zinc/66/94/01/890669401.db2.gz	AVKFRBGZBIAXJG-UHFFFAOYSA-N	-2	1	418.780	4.038	20	30		HIEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000479262820	894533307	/nfs/dbraw/zinc/53/33/07/894533307.db2.gz	WJEGPCUISMTHMH-UHFFFAOYSA-N	-2	1	418.780	4.038	20	30		HIEDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000520186846	928374941	/nfs/dbraw/zinc/37/49/41/928374941.db2.gz	ZIFPKVNAFUDXJO-ZDUSSCGKSA-N	-2	1	404.513	4.142	20	30		HIEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc(C(=O)[O-])c1C	ZINC000471121230	885657322	/nfs/dbraw/zinc/65/73/22/885657322.db2.gz	GWHSKBIKYDDBOM-LBPRGKRZSA-N	-2	1	404.513	4.054	20	30		HIEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1	ZINC000443415850	867999576	/nfs/dbraw/zinc/99/95/76/867999576.db2.gz	GYVDVWPIBYXIGT-UHFFFAOYSA-N	-2	1	410.289	4.067	20	30		HIEDML
N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1Cl	ZINC000485081308	900396295	/nfs/dbraw/zinc/39/62/95/900396295.db2.gz	RSWXQIBRUHZLLX-UHFFFAOYSA-N	-2	1	405.646	4.017	20	30		HIEDML
C=CCCCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000436528795	861837083	/nfs/dbraw/zinc/83/70/83/861837083.db2.gz	MKBNZSWCUHIQDE-UHFFFAOYSA-N	-2	1	408.545	4.073	20	30		HIEDML
C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438777478	864271082	/nfs/dbraw/zinc/27/10/82/864271082.db2.gz	XZUBRBJTQSGRRW-NSHDSACASA-N	-2	1	410.904	4.091	20	30		HIEDML
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438756892	864251268	/nfs/dbraw/zinc/25/12/68/864251268.db2.gz	RCLLQVNWYBOTFP-NSHDSACASA-N	-2	1	410.904	4.233	20	30		HIEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1C(=O)[O-]	ZINC000479236543	894498487	/nfs/dbraw/zinc/49/84/87/894498487.db2.gz	AJIRKMLYWJUSLB-NSHDSACASA-N	-2	1	424.931	4.399	20	30		HIEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000533166483	931797367	/nfs/dbraw/zinc/79/73/67/931797367.db2.gz	LBUUNOUWZOPMNW-UHFFFAOYSA-N	-2	1	412.389	4.006	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000208035590	853805452	/nfs/dbraw/zinc/80/54/52/853805452.db2.gz	AXUXAGFZJAJQME-UUASQNMZSA-N	-2	1	421.474	4.390	20	30		HIEDML
CCc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C(=O)[O-]	ZINC000440829154	865945201	/nfs/dbraw/zinc/94/52/01/865945201.db2.gz	VQMIJTYCSCHFED-CYBMUJFWSA-N	-2	1	404.513	4.142	20	30		HIEDML
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1	ZINC000438767700	864263014	/nfs/dbraw/zinc/26/30/14/864263014.db2.gz	WVPPGWDUFMMQCG-UHFFFAOYSA-N	-2	1	412.389	4.199	20	30		HIEDML
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000557703457	943263158	/nfs/dbraw/zinc/26/31/58/943263158.db2.gz	UMHVGYCCJVWPLD-ZDUSSCGKSA-N	-2	1	416.524	4.069	20	30		HIEDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C/c3ccsc3)cc2)cc1	ZINC000013362292	845915311	/nfs/dbraw/zinc/91/53/11/845915311.db2.gz	YIFQZBNQXAPCDZ-BCTAIJSYSA-N	-2	1	413.476	4.143	20	30		HIEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br	ZINC000443417067	868000367	/nfs/dbraw/zinc/00/03/67/868000367.db2.gz	KJNXAGQUYFHZRA-UHFFFAOYSA-N	-2	1	410.289	4.067	20	30		HIEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000481441103	896839547	/nfs/dbraw/zinc/83/95/47/896839547.db2.gz	VBKHMCGSRPWTQZ-UHFFFAOYSA-N	-2	1	405.646	4.017	20	30		HIEDML
N#Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Oc1ccccc1	ZINC000488330916	902767776	/nfs/dbraw/zinc/76/77/76/902767776.db2.gz	LGOBXMIABDSMAE-UHFFFAOYSA-N	-2	1	422.462	4.169	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-]	ZINC000517924712	926891881	/nfs/dbraw/zinc/89/18/81/926891881.db2.gz	FMJCMBVVLATPFR-UHFFFAOYSA-N	-2	1	408.435	4.158	20	30		HIEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000533169031	931798405	/nfs/dbraw/zinc/79/84/05/931798405.db2.gz	WZMRXAQNKLSWMY-UHFFFAOYSA-N	-2	1	415.389	4.159	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000013343495	845915221	/nfs/dbraw/zinc/91/52/21/845915221.db2.gz	AXUXAGFZJAJQME-GIDUJCDVSA-N	-2	1	421.474	4.390	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(C)c1C(=O)[O-]	ZINC000512743697	921300609	/nfs/dbraw/zinc/30/06/09/921300609.db2.gz	ZEKIMWJLZCPUID-GFCCVEGCSA-N	-2	1	404.513	4.054	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c(C)c1C(=O)[O-]	ZINC000512752943	921301872	/nfs/dbraw/zinc/30/18/72/921301872.db2.gz	SXAVJWINQJNJLF-ZDUSSCGKSA-N	-2	1	404.513	4.197	20	30		HIEDML
CCc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C(=O)[O-]	ZINC000440829156	865944881	/nfs/dbraw/zinc/94/48/81/865944881.db2.gz	VQMIJTYCSCHFED-ZDUSSCGKSA-N	-2	1	404.513	4.142	20	30		HIEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc(C(=O)[O-])c1C	ZINC000471133855	885674809	/nfs/dbraw/zinc/67/48/09/885674809.db2.gz	RKGSVSGYMHWDBA-ZDUSSCGKSA-N	-2	1	404.513	4.197	20	30		HIEDML
N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cc1	ZINC000521527272	929275456	/nfs/dbraw/zinc/27/54/56/929275456.db2.gz	LKSASNCOLRNKDI-UHFFFAOYSA-N	-2	1	422.462	4.169	20	30		HIEDML
C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438777471	864270795	/nfs/dbraw/zinc/27/07/95/864270795.db2.gz	XZUBRBJTQSGRRW-LLVKDONJSA-N	-2	1	410.904	4.091	20	30		HIEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000462104186	875211795	/nfs/dbraw/zinc/21/17/95/875211795.db2.gz	RUVUEPHPZQSWHX-UHFFFAOYSA-N	-2	1	401.488	4.003	20	30		HIEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc(C(=O)[O-])c1C	ZINC000471121229	885657357	/nfs/dbraw/zinc/65/73/57/885657357.db2.gz	GWHSKBIKYDDBOM-GFCCVEGCSA-N	-2	1	404.513	4.054	20	30		HIEDML
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000511726833	920392427	/nfs/dbraw/zinc/39/24/27/920392427.db2.gz	KTJKBKLIQHOKJT-UHFFFAOYSA-N	-2	1	414.464	4.220	20	30		HIEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1	ZINC000479332040	894625618	/nfs/dbraw/zinc/62/56/18/894625618.db2.gz	BNKIAYJVNVNPCY-UHFFFAOYSA-N	-2	1	418.780	4.038	20	30		HIEDML
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000520627455	928684199	/nfs/dbraw/zinc/68/41/99/928684199.db2.gz	MCZDPBIPGRSLLX-UHFFFAOYSA-N	-2	1	414.464	4.220	20	30		HIEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)[O-]	ZINC000479240149	894502239	/nfs/dbraw/zinc/50/22/39/894502239.db2.gz	GLEUFJUIYIIPIK-UHFFFAOYSA-N	-2	1	410.904	4.153	20	30		HIEDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C/c3cccs3)cc2)cc1	ZINC000013366830	845915494	/nfs/dbraw/zinc/91/54/94/845915494.db2.gz	ZXQSNPKJEQTRFU-FMIVXFBMSA-N	-2	1	413.476	4.143	20	30		HIEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc(C(=O)[O-])c1C	ZINC000471133854	885675294	/nfs/dbraw/zinc/67/52/94/885675294.db2.gz	RKGSVSGYMHWDBA-CYBMUJFWSA-N	-2	1	404.513	4.197	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c(C)c1C(=O)[O-]	ZINC000512752937	921301820	/nfs/dbraw/zinc/30/18/20/921301820.db2.gz	SXAVJWINQJNJLF-CYBMUJFWSA-N	-2	1	404.513	4.197	20	30		HIEDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C(=O)[O-]	ZINC000517519760	924243003	/nfs/dbraw/zinc/24/30/03/924243003.db2.gz	OGNXUKLAOFJRDN-CQSZACIVSA-N	-2	1	404.513	4.197	20	30		HIEDML
CCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-]	ZINC000440807058	865926034	/nfs/dbraw/zinc/92/60/34/865926034.db2.gz	MWIKTBPXHVRJII-UHFFFAOYSA-N	-2	1	422.462	4.412	20	30		HIEDML
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438756890	864250564	/nfs/dbraw/zinc/25/05/64/864250564.db2.gz	RCLLQVNWYBOTFP-LLVKDONJSA-N	-2	1	410.904	4.233	20	30		HIEDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C(=O)[O-]	ZINC000517519759	924242735	/nfs/dbraw/zinc/24/27/35/924242735.db2.gz	OGNXUKLAOFJRDN-AWEZNQCLSA-N	-2	1	404.513	4.197	20	30		HIEDML
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000557703454	943262953	/nfs/dbraw/zinc/26/29/53/943262953.db2.gz	UMHVGYCCJVWPLD-CYBMUJFWSA-N	-2	1	416.524	4.069	20	30		HIEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1C(=O)[O-]	ZINC000479236542	894499139	/nfs/dbraw/zinc/49/91/39/894499139.db2.gz	AJIRKMLYWJUSLB-LLVKDONJSA-N	-2	1	424.931	4.399	20	30		HIEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(C)c1C(=O)[O-]	ZINC000512743700	921300671	/nfs/dbraw/zinc/30/06/71/921300671.db2.gz	ZEKIMWJLZCPUID-LBPRGKRZSA-N	-2	1	404.513	4.054	20	30		HIEDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000520186845	928375255	/nfs/dbraw/zinc/37/52/55/928375255.db2.gz	ZIFPKVNAFUDXJO-CYBMUJFWSA-N	-2	1	404.513	4.142	20	30		HIEDML
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1	ZINC000520927073	928877606	/nfs/dbraw/zinc/87/76/06/928877606.db2.gz	LKTWUYIOSCKKNF-UHFFFAOYSA-N	-2	1	414.464	4.220	20	30		HIEDML