smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000772991539	723774087	/nfs/dbraw/zinc/77/40/87/723774087.db2.gz	UTXUCVZCOUFOPG-UHFFFAOYSA-N	-2	1	365.729	3.107	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)sc1C(=O)[O-]	ZINC000317570192	498794035	/nfs/dbraw/zinc/79/40/35/498794035.db2.gz	DGRAVEWZPYPHDL-UHFFFAOYSA-N	-2	1	356.812	3.081	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000324397931	498827851	/nfs/dbraw/zinc/82/78/51/498827851.db2.gz	NWAMFWOZLLTRTO-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000392098925	499557854	/nfs/dbraw/zinc/55/78/54/499557854.db2.gz	UXGMASDQZVRXFG-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000431198766	500348736	/nfs/dbraw/zinc/34/87/36/500348736.db2.gz	VDUMLADMGFCETJ-UHFFFAOYSA-N	-2	1	370.430	3.245	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000476378703	502473989	/nfs/dbraw/zinc/47/39/89/502473989.db2.gz	WMXMSIAZHJGJGA-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC000751144418	601837507	/nfs/dbraw/zinc/83/75/07/601837507.db2.gz	BEYKVUJLGGOHNF-UHFFFAOYSA-N	-2	1	369.345	3.029	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc(C(=O)[O-])c1Cl	ZINC000759096425	722999435	/nfs/dbraw/zinc/99/94/35/722999435.db2.gz	XQZJIJSKUCIEKK-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1	ZINC000181768030	496536845	/nfs/dbraw/zinc/53/68/45/496536845.db2.gz	CJFBFYZZRUWXCY-GFCCVEGCSA-N	-2	1	358.419	3.246	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000471134526	501931321	/nfs/dbraw/zinc/93/13/21/501931321.db2.gz	XBDPCMZBMAUWNF-UHFFFAOYSA-N	-2	1	373.434	3.106	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1	ZINC000466287598	502526876	/nfs/dbraw/zinc/52/68/76/502526876.db2.gz	JTNAWEHCDKNUDW-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F	ZINC000548262446	504377845	/nfs/dbraw/zinc/37/78/45/504377845.db2.gz	RWWPXAONVSXVTD-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000390260336	499554333	/nfs/dbraw/zinc/55/43/33/499554333.db2.gz	YDQOAMJVFBPJNL-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1	ZINC000481431709	501774215	/nfs/dbraw/zinc/77/42/15/501774215.db2.gz	FODMQZKNBHCHKZ-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC000479255616	502207261	/nfs/dbraw/zinc/20/72/61/502207261.db2.gz	UUQGULBTKOJNQE-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000513384932	502921350	/nfs/dbraw/zinc/92/13/50/502921350.db2.gz	RIMRJQYEKIVZFZ-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
N#Cc1cc(-c2ccc(S(=O)(=O)C3(C(=O)[O-])CCCC3)cc2)ccc1[O-]	ZINC000594874098	507302684	/nfs/dbraw/zinc/30/26/84/507302684.db2.gz	QHSSGYMLLKEXSB-UHFFFAOYSA-N	-2	1	371.414	3.102	20	30		FGEDML
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F	ZINC000740310081	603047000	/nfs/dbraw/zinc/04/70/00/603047000.db2.gz	AOYSGHCJIGWORO-UHFFFAOYSA-N	-2	1	369.761	3.241	20	30		FGEDML
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(OCC(=O)[O-])c1	ZINC000833386652	605155905	/nfs/dbraw/zinc/15/59/05/605155905.db2.gz	PCSXNGQGLRPMOV-UHFFFAOYSA-N	-2	1	362.769	3.338	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)ccc1Cl	ZINC000067124883	494480407	/nfs/dbraw/zinc/48/04/07/494480407.db2.gz	QISSZMLQCRXRPX-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])ccc1Cl	ZINC000517896967	503861889	/nfs/dbraw/zinc/86/18/89/503861889.db2.gz	LYUJGYVADUPIMR-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000612648638	506670585	/nfs/dbraw/zinc/67/05/85/506670585.db2.gz	SNFQBHYZCLZROS-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
N#Cc1ccc(CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C2CC2)cc1	ZINC000833971370	605629375	/nfs/dbraw/zinc/62/93/75/605629375.db2.gz	DOHPFHXBIAAEEI-UHFFFAOYSA-N	-2	1	351.362	3.159	20	30		FGEDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000581701719	506047400	/nfs/dbraw/zinc/04/74/00/506047400.db2.gz	DNBBYODAZPCQIQ-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C	ZINC000431186766	500347403	/nfs/dbraw/zinc/34/74/03/500347403.db2.gz	JSSFDEYILIYILH-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000614326186	507461601	/nfs/dbraw/zinc/46/16/01/507461601.db2.gz	XPPXVXKRPCJDFR-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-]	ZINC000776589265	724162961	/nfs/dbraw/zinc/16/29/61/724162961.db2.gz	VBYPOUJCJNBJBQ-SNVBAGLBSA-N	-2	1	371.764	3.057	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1C(=O)[O-]	ZINC000506720907	503160631	/nfs/dbraw/zinc/16/06/31/503160631.db2.gz	VQALSYPACUHZRV-UHFFFAOYSA-N	-2	1	374.418	3.177	20	30		FGEDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000531126585	504196400	/nfs/dbraw/zinc/19/64/00/504196400.db2.gz	IIDUILGBPIWKRO-UHFFFAOYSA-N	-2	1	364.810	3.273	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)ccc1Cl	ZINC000739099373	600636547	/nfs/dbraw/zinc/63/65/47/600636547.db2.gz	WATMROORWHWKQJ-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1	ZINC000739207294	602864410	/nfs/dbraw/zinc/86/44/10/602864410.db2.gz	DDAWNFAWPUJFQI-AWEZNQCLSA-N	-2	1	369.377	3.093	20	30		FGEDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000077703990	494149408	/nfs/dbraw/zinc/14/94/08/494149408.db2.gz	NMYSQRFPEAGYAG-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1	ZINC000451112430	501246599	/nfs/dbraw/zinc/24/65/99/501246599.db2.gz	WGBAUYVQWFJESX-UHFFFAOYSA-N	-2	1	370.430	3.130	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000589439303	506549103	/nfs/dbraw/zinc/54/91/03/506549103.db2.gz	YJIBMLRPAZQPQN-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000174729954	496079810	/nfs/dbraw/zinc/07/98/10/496079810.db2.gz	AHHVWCLLVCKCOX-UHFFFAOYSA-N	-2	1	358.419	3.030	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1)C(=O)[O-]	ZINC000184902430	496577745	/nfs/dbraw/zinc/57/77/45/496577745.db2.gz	ZFNWNBITBWTRAV-INIZCTEOSA-N	-2	1	372.446	3.321	20	30		FGEDML
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C(=O)[O-]	ZINC000548196474	504367173	/nfs/dbraw/zinc/36/71/73/504367173.db2.gz	FMNJJBYKDZTUIR-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1	ZINC000825647925	601860385	/nfs/dbraw/zinc/86/03/85/601860385.db2.gz	XHQOBKFBWGRLHY-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1	ZINC000522398734	714186684	/nfs/dbraw/zinc/18/66/84/714186684.db2.gz	KNDYCXXWSQKFJH-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000439249518	500874227	/nfs/dbraw/zinc/87/42/27/500874227.db2.gz	KFSJHVCNCNETSJ-UHFFFAOYSA-N	-2	1	373.434	3.222	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1	ZINC000471118714	501926253	/nfs/dbraw/zinc/92/62/53/501926253.db2.gz	JJZBWUXWHURXFB-UHFFFAOYSA-N	-2	1	361.419	3.367	20	30		FGEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000477399886	502765280	/nfs/dbraw/zinc/76/52/80/502765280.db2.gz	KIKDLCZHURKROG-UHFFFAOYSA-N	-2	1	373.434	3.188	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-]	ZINC000541929181	504305858	/nfs/dbraw/zinc/30/58/58/504305858.db2.gz	MHJHPEFPRVKENS-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000066587695	494360608	/nfs/dbraw/zinc/36/06/08/494360608.db2.gz	MOWHELMURWAPHV-UHFFFAOYSA-N	-2	1	364.379	3.056	20	30		FGEDML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000435689048	501012020	/nfs/dbraw/zinc/01/20/20/501012020.db2.gz	WALLNCGXUCJZOU-UHFFFAOYSA-N	-2	1	362.432	3.088	20	30		FGEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1	ZINC000466336487	502539843	/nfs/dbraw/zinc/53/98/43/502539843.db2.gz	GGFUKPFUDRIBMG-UHFFFAOYSA-N	-2	1	374.418	3.177	20	30		FGEDML
Cc1sc2ncnc([N-]N=C3Oc4cc([O-])cc(C)c4C3=O)c2c1C	ZINC000915942297	758008116	/nfs/dbraw/zinc/00/81/16/758008116.db2.gz	LOAHDRSMOOSPLJ-UHFFFAOYSA-N	-2	1	354.391	3.323	20	30		FGEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000571379809	505719521	/nfs/dbraw/zinc/71/95/21/505719521.db2.gz	OUCRFSCCIGQOOB-MRVPVSSYSA-N	-2	1	371.764	3.057	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000184904032	496578817	/nfs/dbraw/zinc/57/88/17/496578817.db2.gz	ALMQZYYXSOKXDX-HNNXBMFYSA-N	-2	1	358.419	3.012	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])ccc1C#N	ZINC000435697933	501014222	/nfs/dbraw/zinc/01/42/22/501014222.db2.gz	UQENYALVEKVRAY-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000466278385	502523706	/nfs/dbraw/zinc/52/37/06/502523706.db2.gz	CZFRACHZSRSFKI-UHFFFAOYSA-N	-2	1	373.434	3.188	20	30		FGEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000589973937	506692238	/nfs/dbraw/zinc/69/22/38/506692238.db2.gz	RVYUWWMEUGYLIY-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-]	ZINC000738321588	600693565	/nfs/dbraw/zinc/69/35/65/600693565.db2.gz	ZOWYAMCJJYDWES-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000738501376	600892450	/nfs/dbraw/zinc/89/24/50/600892450.db2.gz	OXVPRHCRKUKBJF-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000579190849	506113625	/nfs/dbraw/zinc/11/36/25/506113625.db2.gz	WIQPBFDUTLARHW-UHFFFAOYSA-N	-2	1	373.434	3.106	20	30		FGEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000560492745	505103025	/nfs/dbraw/zinc/10/30/25/505103025.db2.gz	AZZDBSAADBMULD-QMMMGPOBSA-N	-2	1	372.657	3.345	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1	ZINC000477417870	502769068	/nfs/dbraw/zinc/76/90/68/502769068.db2.gz	HJMPLFWVLMSZTR-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000511727793	503377078	/nfs/dbraw/zinc/37/70/78/503377078.db2.gz	RXMIJROSFSXGHD-UHFFFAOYSA-N	-2	1	358.419	3.355	20	30		FGEDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC000511727799	503377179	/nfs/dbraw/zinc/37/71/79/503377179.db2.gz	RYZQBIOEBXPZBI-UHFFFAOYSA-N	-2	1	358.419	3.355	20	30		FGEDML
C=CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-]	ZINC000776589261	724163037	/nfs/dbraw/zinc/16/30/37/724163037.db2.gz	VBYPOUJCJNBJBQ-JTQLQIEISA-N	-2	1	371.764	3.057	20	30		FGEDML
Cc1cc(-c2ccc([O-])c(C#N)c2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000594874145	507302910	/nfs/dbraw/zinc/30/29/10/507302910.db2.gz	SWMVKGCIXYULLM-MRXNPFEDSA-N	-2	1	364.401	3.176	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000740104034	603182730	/nfs/dbraw/zinc/18/27/30/603182730.db2.gz	RBQZZTOMICEEMO-UHFFFAOYSA-N	-2	1	371.418	3.098	20	30		FGEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC000177542552	496105187	/nfs/dbraw/zinc/10/51/87/496105187.db2.gz	OPNNCNCPFVNWRP-UHFFFAOYSA-N	-2	1	362.382	3.126	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1	ZINC000181772641	496538493	/nfs/dbraw/zinc/53/84/93/496538493.db2.gz	WRWHUWZKIBHVMR-CYBMUJFWSA-N	-2	1	358.419	3.246	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000184900290	496576485	/nfs/dbraw/zinc/57/64/85/496576485.db2.gz	UNXROVMVNBWTKR-OAHLLOKOSA-N	-2	1	358.419	3.012	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000825702697	601326289	/nfs/dbraw/zinc/32/62/89/601326289.db2.gz	VLDHBRWBSJOCLO-DHZHZOJOSA-N	-2	1	359.403	3.150	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000120324927	495352664	/nfs/dbraw/zinc/35/26/64/495352664.db2.gz	ASBQAQPLMLRGJR-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)ccc1C#N	ZINC000435717554	501016565	/nfs/dbraw/zinc/01/65/65/501016565.db2.gz	OPAQTDMGUAUJOY-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1	ZINC000475807445	502298219	/nfs/dbraw/zinc/29/82/19/502298219.db2.gz	IPJKDKHDDCYXAB-ZDUSSCGKSA-N	-2	1	358.419	3.132	20	30		FGEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000476245123	502427069	/nfs/dbraw/zinc/42/70/69/502427069.db2.gz	HYUDMRFKFYNBFG-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000512775663	503629570	/nfs/dbraw/zinc/62/95/70/503629570.db2.gz	AXEFGXDLMLRICM-UHFFFAOYSA-N	-2	1	373.434	3.106	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000517725808	503818911	/nfs/dbraw/zinc/81/89/11/503818911.db2.gz	LJARKNCKTSQFQI-UHFFFAOYSA-N	-2	1	361.419	3.367	20	30		FGEDML
CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000739443402	602971695	/nfs/dbraw/zinc/97/16/95/602971695.db2.gz	DXDQLRBNBMHMHD-UHFFFAOYSA-N	-2	1	373.434	3.167	20	30		FGEDML
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833965045	605653414	/nfs/dbraw/zinc/65/34/14/605653414.db2.gz	YEIAUISYYIVXDR-IRXDYDNUSA-N	-2	1	365.389	3.394	20	30		FGEDML
CCCCCCCC[C@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000825271754	608568085	/nfs/dbraw/zinc/56/80/85/608568085.db2.gz	NMQAQOGIWJHCJR-LBPRGKRZSA-N	-2	1	358.450	3.177	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000174729877	496079825	/nfs/dbraw/zinc/07/98/25/496079825.db2.gz	SATGBXJEDLLHOW-UHFFFAOYSA-N	-2	1	358.419	3.030	20	30		FGEDML
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1	ZINC000392791949	499559333	/nfs/dbraw/zinc/55/93/33/499559333.db2.gz	LUZZYAXWWWDLLX-UHFFFAOYSA-N	-2	1	364.810	3.273	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1Cl	ZINC000740313622	602645420	/nfs/dbraw/zinc/64/54/20/602645420.db2.gz	PBGVTMFUCWHGFN-UHFFFAOYSA-N	-2	1	351.771	3.102	20	30		FGEDML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C(=O)[O-]	ZINC000170851755	495627584	/nfs/dbraw/zinc/62/75/84/495627584.db2.gz	VMWBKICBQXFLDG-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000604307309	506779941	/nfs/dbraw/zinc/77/99/41/506779941.db2.gz	SAJLYSHIYFVNFE-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000825702261	601829109	/nfs/dbraw/zinc/82/91/09/601829109.db2.gz	GOIHLYXDTWAICE-UHFFFAOYSA-N	-2	1	367.810	3.404	20	30		FGEDML
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([O-])c(Br)c1	ZINC000756905753	722971687	/nfs/dbraw/zinc/97/16/87/722971687.db2.gz	IFMRZECFFQPYKC-UHFFFAOYSA-N	-2	1	365.183	3.308	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000179027531	496649103	/nfs/dbraw/zinc/64/91/03/496649103.db2.gz	JJJLSBQDPMIVSV-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000391214300	499556543	/nfs/dbraw/zinc/55/65/43/499556543.db2.gz	HHNVRSPFNPUDHX-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-]	ZINC000475743453	502278498	/nfs/dbraw/zinc/27/84/98/502278498.db2.gz	YXRJVLWKGLCPRQ-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
N#CC(=C([O-])c1cccc(OCC(=O)[O-])c1)c1nc2cc(F)ccc2s1	ZINC000739074970	600127372	/nfs/dbraw/zinc/12/73/72/600127372.db2.gz	OFBGJPSCYKGJAJ-ZDUSSCGKSA-N	-2	1	370.361	3.389	20	30		FGEDML
O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cncc([O-])c3)c2)c1	ZINC000740212594	600166771	/nfs/dbraw/zinc/16/67/71/600166771.db2.gz	MAIIUJUHJHUNIN-UHFFFAOYSA-N	-2	1	358.353	3.138	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000179025690	604398821	/nfs/dbraw/zinc/39/88/21/604398821.db2.gz	PCCWHUGNRDPYLZ-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000479262306	502208792	/nfs/dbraw/zinc/20/87/92/502208792.db2.gz	YOCXGNVKAJIBND-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC000484589297	502677268	/nfs/dbraw/zinc/67/72/68/502677268.db2.gz	YLYQKYAUXOCXRN-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000609106974	506777771	/nfs/dbraw/zinc/77/77/71/506777771.db2.gz	QSFQCVKUOHFRLZ-UHFFFAOYSA-N	-2	1	362.382	3.320	20	30		FGEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000391568101	499557301	/nfs/dbraw/zinc/55/73/01/499557301.db2.gz	TZMIHPSNGWJNIH-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F	ZINC000484601222	502681076	/nfs/dbraw/zinc/68/10/76/502681076.db2.gz	LBCAFKMUXACJKB-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000484795405	502741810	/nfs/dbraw/zinc/74/18/10/502741810.db2.gz	JLEFZCABKXKJML-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000517436371	503745335	/nfs/dbraw/zinc/74/53/35/503745335.db2.gz	IEAJNDATNKDGBQ-UHFFFAOYSA-N	-2	1	362.432	3.191	20	30		FGEDML
CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000739445141	603331616	/nfs/dbraw/zinc/33/16/16/603331616.db2.gz	MQUPBMISSAQFOI-UHFFFAOYSA-N	-2	1	373.434	3.167	20	30		FGEDML
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833965043	605653424	/nfs/dbraw/zinc/65/34/24/605653424.db2.gz	YEIAUISYYIVXDR-DLBZAZTESA-N	-2	1	365.389	3.394	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000320597706	498808765	/nfs/dbraw/zinc/80/87/65/498808765.db2.gz	RVXLYLPLCVMAKT-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1Cl	ZINC000321808987	498814626	/nfs/dbraw/zinc/81/46/26/498814626.db2.gz	YUSIASFDDWRLAE-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)ccc1C#N	ZINC000327942407	498864359	/nfs/dbraw/zinc/86/43/59/498864359.db2.gz	YHHPEKAVEYEJFU-CYBMUJFWSA-N	-2	1	358.419	3.246	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC000479234629	502200616	/nfs/dbraw/zinc/20/06/16/502200616.db2.gz	MRBXXNCRSBLVGX-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(=O)[O-]	ZINC000479286142	502214590	/nfs/dbraw/zinc/21/45/90/502214590.db2.gz	RWOQBALRLFMTOG-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1cc(-c2ccc([O-])c(C#N)c2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000594874143	507302774	/nfs/dbraw/zinc/30/27/74/507302774.db2.gz	SWMVKGCIXYULLM-INIZCTEOSA-N	-2	1	364.401	3.176	20	30		FGEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F	ZINC000327513819	498860215	/nfs/dbraw/zinc/86/02/15/498860215.db2.gz	CGGTXOKKVGSPED-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000484793328	502740666	/nfs/dbraw/zinc/74/06/66/502740666.db2.gz	GLHYMENCUKHXCB-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc(C)c1OCC(=O)[O-]	ZINC000832881905	601825977	/nfs/dbraw/zinc/82/59/77/601825977.db2.gz	WDCXSNVOSGHQTC-HYXAFXHYSA-N	-2	1	370.357	3.067	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000438798659	500820535	/nfs/dbraw/zinc/82/05/35/500820535.db2.gz	UJMFFCHAKYORSW-UHFFFAOYSA-N	-2	1	367.810	3.404	20	30		FGEDML
N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000520797097	504584051	/nfs/dbraw/zinc/58/40/51/504584051.db2.gz	XGZMIGTYSBGUEC-UHFFFAOYSA-N	-2	1	362.432	3.191	20	30		FGEDML
N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1	ZINC000740308166	602851359	/nfs/dbraw/zinc/85/13/59/602851359.db2.gz	XAXDMRLZBNHGAL-UHFFFAOYSA-N	-2	1	355.350	3.417	20	30		FGEDML
N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1	ZINC000767738245	723631863	/nfs/dbraw/zinc/63/18/63/723631863.db2.gz	PZJWXPKXZMBFGO-UHFFFAOYSA-N	-2	1	368.773	3.044	20	30		FGEDML
O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1	ZINC000826462302	729408175	/nfs/dbraw/zinc/40/81/75/729408175.db2.gz	UFVLQSCOAVDINY-ONEGZZNKSA-N	-2	1	360.782	3.176	20	30		FGEDML
O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1	ZINC000826462302	729408176	/nfs/dbraw/zinc/40/81/76/729408176.db2.gz	UFVLQSCOAVDINY-ONEGZZNKSA-N	-2	1	360.782	3.176	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000184904052	496578723	/nfs/dbraw/zinc/57/87/23/496578723.db2.gz	ALMQZYYXSOKXDX-OAHLLOKOSA-N	-2	1	358.419	3.012	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)ccc1C#N	ZINC000324424465	498827290	/nfs/dbraw/zinc/82/72/90/498827290.db2.gz	TYWMGURXTQNSQW-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1	ZINC000427324319	500381432	/nfs/dbraw/zinc/38/14/32/500381432.db2.gz	LHVUIYGGCYPXHD-NSHDSACASA-N	-2	1	362.382	3.076	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1	ZINC000509597888	502944319	/nfs/dbraw/zinc/94/43/19/502944319.db2.gz	BIJHRMPOJSJBRV-UHFFFAOYSA-N	-2	1	365.382	3.198	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000552146185	505414585	/nfs/dbraw/zinc/41/45/85/505414585.db2.gz	DDAMXXWTXMJIRD-UHFFFAOYSA-N	-2	1	367.810	3.404	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cc1	ZINC000013263025	695609825	/nfs/dbraw/zinc/60/98/25/695609825.db2.gz	JPTAWQNBFUMQHO-UHFFFAOYSA-N	-2	1	352.371	3.210	20	30		FGEDML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C	ZINC000525366822	714346677	/nfs/dbraw/zinc/34/66/77/714346677.db2.gz	QRBKTFOVUUHDDX-UHFFFAOYSA-N	-2	1	362.432	3.088	20	30		FGEDML
O=C([O-])c1cccc(NN=Cc2cc(O)c([O-])c(Br)c2)c1	ZINC000757561751	722977072	/nfs/dbraw/zinc/97/70/72/722977072.db2.gz	ULUWYKXNHKIXOU-UHFFFAOYSA-N	-2	1	351.156	3.005	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000767733664	723631690	/nfs/dbraw/zinc/63/16/90/723631690.db2.gz	VCTNDSXBNYFBRX-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000481964354	501930884	/nfs/dbraw/zinc/93/08/84/501930884.db2.gz	LIUXWUIADCGMLX-UHFFFAOYSA-N	-2	1	361.419	3.069	20	30		FGEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1	ZINC000477399189	502763844	/nfs/dbraw/zinc/76/38/44/502763844.db2.gz	QDARQKCFQGOZFQ-UHFFFAOYSA-N	-2	1	374.418	3.177	20	30		FGEDML
CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1	ZINC000496055789	502872082	/nfs/dbraw/zinc/87/20/82/502872082.db2.gz	RZXQOYWVLBWSBN-UHFFFAOYSA-N	-2	1	364.810	3.273	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])ccc1C#N	ZINC000541006191	503972199	/nfs/dbraw/zinc/97/21/99/503972199.db2.gz	FRCXKRIRFCAVTF-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000548204368	504368294	/nfs/dbraw/zinc/36/82/94/504368294.db2.gz	VFCNGGMJUOIACR-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000532848276	504767015	/nfs/dbraw/zinc/76/70/15/504767015.db2.gz	YLUHBYACLNZCKC-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
N#Cc1ccccc1CSCCNC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000740323726	602841471	/nfs/dbraw/zinc/84/14/71/602841471.db2.gz	QCLOAEASOLUUCT-UHFFFAOYSA-N	-2	1	371.418	3.017	20	30		FGEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000571379810	505719365	/nfs/dbraw/zinc/71/93/65/505719365.db2.gz	OUCRFSCCIGQOOB-QMMMGPOBSA-N	-2	1	371.764	3.057	20	30		FGEDML
N#Cc1cccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1	ZINC000013263024	695609587	/nfs/dbraw/zinc/60/95/87/695609587.db2.gz	SSVWICHPRBAIOH-UHFFFAOYSA-N	-2	1	352.371	3.210	20	30		FGEDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1	ZINC000619463640	714839227	/nfs/dbraw/zinc/83/92/27/714839227.db2.gz	HBPMSXKOKCGSHK-ZDUSSCGKSA-N	-2	1	358.419	3.132	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1	ZINC000793382865	723432322	/nfs/dbraw/zinc/43/23/22/723432322.db2.gz	VMXMOXTZANCCAN-UHFFFAOYSA-N	-2	1	365.382	3.198	20	30		FGEDML
O=C([O-])c1ccc2c(C=NNc3ccc(Cl)c(C(=O)[O-])c3)n[nH]c2c1	ZINC000765548508	723523245	/nfs/dbraw/zinc/52/32/45/723523245.db2.gz	MALSWHQUXQVPNF-UHFFFAOYSA-N	-2	1	358.741	3.059	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)ccc1C#N	ZINC000435689095	501011862	/nfs/dbraw/zinc/01/18/62/501011862.db2.gz	WOGRLNFLKQUIRI-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833965044	605653221	/nfs/dbraw/zinc/65/32/21/605653221.db2.gz	YEIAUISYYIVXDR-IAGOWNOFSA-N	-2	1	365.389	3.394	20	30		FGEDML
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833965046	605653319	/nfs/dbraw/zinc/65/33/19/605653319.db2.gz	YEIAUISYYIVXDR-SJORKVTESA-N	-2	1	365.389	3.394	20	30		FGEDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1F	ZINC000767733863	723631656	/nfs/dbraw/zinc/63/16/56/723631656.db2.gz	HAKQYRCYXBUKDY-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000179028040	496649195	/nfs/dbraw/zinc/64/91/95/496649195.db2.gz	QSTDVVMZBRVJMK-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C#N	ZINC000327923734	498863883	/nfs/dbraw/zinc/86/38/83/498863883.db2.gz	TUDRFZTZDAPUCG-UHFFFAOYSA-N	-2	1	358.419	3.030	20	30		FGEDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427116303	500355306	/nfs/dbraw/zinc/35/53/06/500355306.db2.gz	FYTUIITWGLEVBO-UHFFFAOYSA-N	-2	1	362.382	3.320	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1)C(=O)[O-]	ZINC000475797059	502294656	/nfs/dbraw/zinc/29/46/56/502294656.db2.gz	KXNHDSJPUUTWER-HNNXBMFYSA-N	-2	1	372.446	3.207	20	30		FGEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000476392884	502477875	/nfs/dbraw/zinc/47/78/75/502477875.db2.gz	ZZFTUSXMYYPMJZ-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1	ZINC000736095207	600057046	/nfs/dbraw/zinc/05/70/46/600057046.db2.gz	MQODMDAUBVNWHL-UHFFFAOYSA-N	-2	1	369.320	3.186	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1Cl	ZINC000759098275	722999483	/nfs/dbraw/zinc/99/94/83/722999483.db2.gz	ZYZWAYDCKJFVLO-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1	ZINC000179434696	495590315	/nfs/dbraw/zinc/59/03/15/495590315.db2.gz	NKKIQPHDXXDCBT-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000327894715	498863961	/nfs/dbraw/zinc/86/39/61/498863961.db2.gz	GKPXGDSINFVXNS-UHFFFAOYSA-N	-2	1	362.382	3.126	20	30		FGEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000507885699	503387690	/nfs/dbraw/zinc/38/76/90/503387690.db2.gz	FIRDNYBNUGMXAQ-UHFFFAOYSA-N	-2	1	373.434	3.188	20	30		FGEDML
Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C(=O)[O-]	ZINC000548150033	504348349	/nfs/dbraw/zinc/34/83/49/504348349.db2.gz	WEUBOLICLMATAV-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833788018	605644171	/nfs/dbraw/zinc/64/41/71/605644171.db2.gz	KMIPTZGXJWFONZ-UHFFFAOYSA-N	-2	1	351.362	3.182	20	30		FGEDML
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823958438	608091641	/nfs/dbraw/zinc/09/16/41/608091641.db2.gz	NEFBWEOYHKETJV-UHFFFAOYSA-N	-2	1	362.802	3.116	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1)C(=O)[O-]	ZINC000184901642	496577816	/nfs/dbraw/zinc/57/78/16/496577816.db2.gz	URPCNULCNAWAJL-INIZCTEOSA-N	-2	1	372.446	3.321	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)ccc1C#N	ZINC000327942410	498864536	/nfs/dbraw/zinc/86/45/36/498864536.db2.gz	YHHPEKAVEYEJFU-ZDUSSCGKSA-N	-2	1	358.419	3.246	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000479244260	502204140	/nfs/dbraw/zinc/20/41/40/502204140.db2.gz	QKAGIHVIDPZEPJ-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1C(=O)[O-]	ZINC000832972368	605010414	/nfs/dbraw/zinc/01/04/14/605010414.db2.gz	AJWPLIAVSQLIED-UHFFFAOYSA-N	-2	1	374.418	3.153	20	30		FGEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000322078799	498814754	/nfs/dbraw/zinc/81/47/54/498814754.db2.gz	RFPRJWVYOSLUOF-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1Cl	ZINC000322195152	498816821	/nfs/dbraw/zinc/81/68/21/498816821.db2.gz	RCLHCXKPDJLHFX-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000391931424	499557603	/nfs/dbraw/zinc/55/76/03/499557603.db2.gz	MAOCREMNBFYXJA-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000120323060	495352204	/nfs/dbraw/zinc/35/22/04/495352204.db2.gz	HCECCFCFVRKCOY-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1C(=O)[O-]	ZINC000321641433	498813529	/nfs/dbraw/zinc/81/35/29/498813529.db2.gz	LHSJOQLAJSBSFO-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000513368887	502917156	/nfs/dbraw/zinc/91/71/56/502917156.db2.gz	BCXVGATVVJNKDV-UHFFFAOYSA-N	-2	1	362.432	3.088	20	30		FGEDML
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C(=O)[O-]	ZINC000542788841	504611938	/nfs/dbraw/zinc/61/19/38/504611938.db2.gz	ASGREWUROKPFCQ-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1Cl	ZINC000740322010	602645375	/nfs/dbraw/zinc/64/53/75/602645375.db2.gz	XWUXZUNXHPLDAU-UHFFFAOYSA-N	-2	1	351.771	3.102	20	30		FGEDML
O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1	ZINC000757467163	722976455	/nfs/dbraw/zinc/97/64/55/722976455.db2.gz	BINFNQHZBVFOBV-CLTKARDFSA-N	-2	1	350.273	3.050	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1Cl	ZINC000063180387	494031658	/nfs/dbraw/zinc/03/16/58/494031658.db2.gz	KZJFPGMWWLUFDG-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1	ZINC000107885631	494616385	/nfs/dbraw/zinc/61/63/85/494616385.db2.gz	BSSKAMQDHCJXBD-UHFFFAOYSA-N	-2	1	358.419	3.295	20	30		FGEDML
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C(=O)[O-]	ZINC000321590035	498813405	/nfs/dbraw/zinc/81/34/05/498813405.db2.gz	DVGGSVAZVNUMSX-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000485280221	501776029	/nfs/dbraw/zinc/77/60/29/501776029.db2.gz	VBJNQYPAPCRTGN-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000462103148	502308539	/nfs/dbraw/zinc/30/85/39/502308539.db2.gz	QDVADUQCVBNZQQ-UHFFFAOYSA-N	-2	1	373.434	3.188	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1	ZINC000511728379	503377139	/nfs/dbraw/zinc/37/71/39/503377139.db2.gz	XNJZPHCZZOIUGF-UHFFFAOYSA-N	-2	1	361.419	3.313	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000589439155	506549029	/nfs/dbraw/zinc/54/90/29/506549029.db2.gz	TYSORROYOVEYKU-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1	ZINC000603973369	506676688	/nfs/dbraw/zinc/67/66/88/506676688.db2.gz	BIVVETRFOLSMFN-UHFFFAOYSA-N	-2	1	370.430	3.130	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000833378612	605166420	/nfs/dbraw/zinc/16/64/20/605166420.db2.gz	KPUFHOVQZPWFNE-UHFFFAOYSA-N	-2	1	367.810	3.404	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1	ZINC000763284471	723329688	/nfs/dbraw/zinc/32/96/88/723329688.db2.gz	SJDMYFFOVUFXKE-UHFFFAOYSA-N	-2	1	365.382	3.198	20	30		FGEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000392053933	499557932	/nfs/dbraw/zinc/55/79/32/499557932.db2.gz	CWSBYAPUMKYOSG-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(C(=O)[O-])c1	ZINC000507619882	503334161	/nfs/dbraw/zinc/33/41/61/503334161.db2.gz	IDFNHPIGURJDIM-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Br)c(F)cc1[O-]	ZINC000763368519	604665682	/nfs/dbraw/zinc/66/56/82/604665682.db2.gz	NQCHBFJPGYOEQT-UHFFFAOYSA-N	-2	1	368.162	3.223	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc(C(=O)[O-])c1Cl	ZINC000759114537	722999706	/nfs/dbraw/zinc/99/97/06/722999706.db2.gz	SDDOVEJTSQXQMA-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1	ZINC000134611827	495175311	/nfs/dbraw/zinc/17/53/11/495175311.db2.gz	STAQPKMJBQSGRD-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000152938410	496300930	/nfs/dbraw/zinc/30/09/30/496300930.db2.gz	XAMFPLFYIUXHIS-UHFFFAOYSA-N	-2	1	364.810	3.273	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000440823402	501053089	/nfs/dbraw/zinc/05/30/89/501053089.db2.gz	GAZHTYHYWDFHOU-UHFFFAOYSA-N	-2	1	373.434	3.051	20	30		FGEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000533624149	503904550	/nfs/dbraw/zinc/90/45/50/503904550.db2.gz	GRGSEISMEIQYKJ-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F	ZINC000547933055	504264848	/nfs/dbraw/zinc/26/48/48/504264848.db2.gz	QBVMETMFLFREAT-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C=C(CC)CSc1nc(-c2ccc(OC)cc2)c(-c2nnn[n-]2)c(=O)[n-]1	ZINC000823883488	608289133	/nfs/dbraw/zinc/28/91/33/608289133.db2.gz	RBAZQCYNRNPKFL-UHFFFAOYSA-N	-2	1	370.438	3.096	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1)C(=O)[O-]	ZINC000184901661	496577688	/nfs/dbraw/zinc/57/76/88/496577688.db2.gz	URPCNULCNAWAJL-MRXNPFEDSA-N	-2	1	372.446	3.321	20	30		FGEDML
N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000481447378	501779205	/nfs/dbraw/zinc/77/92/05/501779205.db2.gz	SWLFVDQUNNSEML-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-]	ZINC000542861376	504638564	/nfs/dbraw/zinc/63/85/64/504638564.db2.gz	NMIDXKGDGFBRKP-UHFFFAOYSA-N	-2	1	358.419	3.075	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1	ZINC000825702698	601325998	/nfs/dbraw/zinc/32/59/98/601325998.db2.gz	VLDHBRWBSJOCLO-FLIBITNWSA-N	-2	1	359.403	3.150	20	30		FGEDML
O=C([O-])c1ccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1	ZINC000916368362	758074782	/nfs/dbraw/zinc/07/47/82/758074782.db2.gz	CNORNIQNWGPNDO-UHFFFAOYSA-N	-2	1	370.459	3.440	20	30		FGEDML
N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC000327432018	498858306	/nfs/dbraw/zinc/85/83/06/498858306.db2.gz	MZIFHGPUOLRGGN-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1	ZINC000475807444	502297552	/nfs/dbraw/zinc/29/75/52/502297552.db2.gz	IPJKDKHDDCYXAB-CYBMUJFWSA-N	-2	1	358.419	3.132	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)ccc1Cl	ZINC000739098552	599853839	/nfs/dbraw/zinc/85/38/39/599853839.db2.gz	IFQLXDOYPYZRTF-UHFFFAOYSA-N	-2	1	364.810	3.030	20	30		FGEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000320714171	498808641	/nfs/dbraw/zinc/80/86/41/498808641.db2.gz	RIJXAXFTVKZCRC-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ccc1Cl	ZINC000739098901	600888421	/nfs/dbraw/zinc/88/84/21/600888421.db2.gz	KSSYEWNLQRTJQW-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc(C)c1OCC(=O)[O-]	ZINC000832881904	601826060	/nfs/dbraw/zinc/82/60/60/601826060.db2.gz	WDCXSNVOSGHQTC-HWKANZROSA-N	-2	1	370.357	3.067	20	30		FGEDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(C(=O)[O-])c1	ZINC000833751449	605186026	/nfs/dbraw/zinc/18/60/26/605186026.db2.gz	ZCWJEZAOVYWOCP-UHFFFAOYSA-N	-2	1	374.418	3.177	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000391828121	499557657	/nfs/dbraw/zinc/55/76/57/499557657.db2.gz	DKKQSPBTGSEPQH-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000511731506	503377131	/nfs/dbraw/zinc/37/71/31/503377131.db2.gz	YTUCWEZWYDQJCG-UHFFFAOYSA-N	-2	1	361.419	3.367	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1Cl	ZINC000739130562	600100984	/nfs/dbraw/zinc/10/09/84/600100984.db2.gz	UTHMMZGYUZLFQM-UHFFFAOYSA-N	-2	1	369.761	3.241	20	30		FGEDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000055579637	494365862	/nfs/dbraw/zinc/36/58/62/494365862.db2.gz	HKAMVUFAHPUVDF-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1	ZINC000833369747	604744957	/nfs/dbraw/zinc/74/49/57/604744957.db2.gz	DCWMPUNKEBTBBO-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
O=C([O-])c1ccccc1NN=Cc1cc(O)cc(Br)c1[O-]	ZINC000755601324	722954822	/nfs/dbraw/zinc/95/48/22/722954822.db2.gz	NIHNIDJWDPOCCU-UHFFFAOYSA-N	-2	1	351.156	3.005	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc(C(=O)[O-])c1C	ZINC000471109222	501923048	/nfs/dbraw/zinc/92/30/48/501923048.db2.gz	VZVLXQJALRXQHF-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000479405775	502249028	/nfs/dbraw/zinc/24/90/28/502249028.db2.gz	IUFUNNVLOKFXCK-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C	ZINC000475749654	502280822	/nfs/dbraw/zinc/28/08/22/502280822.db2.gz	NZBWYIQAUPXATF-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cccc1C(=O)[O-]	ZINC000077312142	494054525	/nfs/dbraw/zinc/05/45/25/494054525.db2.gz	YORHKPUTMUWLSV-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
O=C([O-])c1ccc(NN=Cc2cc(O)cc(Br)c2[O-])cc1	ZINC000755457234	722953506	/nfs/dbraw/zinc/95/35/06/722953506.db2.gz	ZCWRMPYBSHBNMS-UHFFFAOYSA-N	-2	1	351.156	3.005	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000479291490	502215350	/nfs/dbraw/zinc/21/53/50/502215350.db2.gz	XQHGWFCELVXLKG-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1	ZINC000516771889	503583614	/nfs/dbraw/zinc/58/36/14/503583614.db2.gz	CVAVLLYFYNWMPO-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000525368146	714347065	/nfs/dbraw/zinc/34/70/65/714347065.db2.gz	WNFLSXHXGTUNGU-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000184900267	496576559	/nfs/dbraw/zinc/57/65/59/496576559.db2.gz	UNXROVMVNBWTKR-HNNXBMFYSA-N	-2	1	358.419	3.012	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619463428	568437408	/nfs/dbraw/zinc/43/74/08/568437408.db2.gz	YLAROLMCSNUCDI-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-]	ZINC000738500775	600492978	/nfs/dbraw/zinc/49/29/78/600492978.db2.gz	AVQLZJVENANRSD-UHFFFAOYSA-N	-2	1	358.419	3.489	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000832849773	604399443	/nfs/dbraw/zinc/39/94/43/604399443.db2.gz	SKNSHKHYCUVNQS-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1[nH]c(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1C(=O)[O-]	ZINC000800807911	724230334	/nfs/dbraw/zinc/23/03/34/724230334.db2.gz	CHZNRDVSBZOSSA-UHFFFAOYSA-N	-2	1	373.463	3.076	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000439626519	500920082	/nfs/dbraw/zinc/92/00/82/500920082.db2.gz	RJDODYXTVDCFPX-UHFFFAOYSA-N	-2	1	373.434	3.106	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475805322	502296734	/nfs/dbraw/zinc/29/67/34/502296734.db2.gz	GAXXRDHBFHCQNY-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2	ZINC000509376986	502886688	/nfs/dbraw/zinc/88/66/88/502886688.db2.gz	VKIUSJWEOVCBNO-UHFFFAOYSA-N	-2	1	370.430	3.130	20	30		FGEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000560492744	505102987	/nfs/dbraw/zinc/10/29/87/505102987.db2.gz	AZZDBSAADBMULD-MRVPVSSYSA-N	-2	1	372.657	3.345	20	30		FGEDML
O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1	ZINC000757467165	722976584	/nfs/dbraw/zinc/97/65/84/722976584.db2.gz	BINFNQHZBVFOBV-XVNBXDOJSA-N	-2	1	350.273	3.050	20	30		FGEDML
O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1	ZINC000826462301	729408223	/nfs/dbraw/zinc/40/82/23/729408223.db2.gz	UFVLQSCOAVDINY-ARJAWSKDSA-N	-2	1	360.782	3.176	20	30		FGEDML
O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1	ZINC000826462301	729408225	/nfs/dbraw/zinc/40/82/25/729408225.db2.gz	UFVLQSCOAVDINY-ARJAWSKDSA-N	-2	1	360.782	3.176	20	30		FGEDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000176509855	495677278	/nfs/dbraw/zinc/67/72/78/495677278.db2.gz	OVACWFHKQDMKQE-UHFFFAOYSA-N	-2	1	364.810	3.273	20	30		FGEDML
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)[O-]	ZINC000321717058	498813161	/nfs/dbraw/zinc/81/31/61/498813161.db2.gz	YXIJODZTZWBGND-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1	ZINC000321603322	498813717	/nfs/dbraw/zinc/81/37/17/498813717.db2.gz	GANWVPPCHCIJSB-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1C#N	ZINC000391798566	499557583	/nfs/dbraw/zinc/55/75/83/499557583.db2.gz	FJAGRDHQWBJAHO-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1	ZINC000427324318	500381838	/nfs/dbraw/zinc/38/18/38/500381838.db2.gz	LHVUIYGGCYPXHD-LLVKDONJSA-N	-2	1	362.382	3.076	20	30		FGEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(F)(F)F	ZINC000544634558	504199159	/nfs/dbraw/zinc/19/91/59/504199159.db2.gz	LLRHBEUUHYHHEB-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)ccc1F	ZINC000609106854	506777306	/nfs/dbraw/zinc/77/73/06/506777306.db2.gz	OWQQMBIPTSBHCX-UHFFFAOYSA-N	-2	1	374.393	3.075	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000066587685	601328143	/nfs/dbraw/zinc/32/81/43/601328143.db2.gz	JARJWTSLQURPAZ-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
O=C([O-])c1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)cc1	ZINC000757561240	722976970	/nfs/dbraw/zinc/97/69/70/722976970.db2.gz	MPUSMPRIVPIJKJ-UHFFFAOYSA-N	-2	1	351.156	3.005	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000759098193	722999442	/nfs/dbraw/zinc/99/94/42/722999442.db2.gz	XPWIGOSZPMWJPS-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1)C(=O)[O-]	ZINC000435699155	501014171	/nfs/dbraw/zinc/01/41/71/501014171.db2.gz	WMJKNKWYZRCVKZ-HNNXBMFYSA-N	-2	1	372.446	3.321	20	30		FGEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1	ZINC000181772616	496538319	/nfs/dbraw/zinc/53/83/19/496538319.db2.gz	WRWHUWZKIBHVMR-ZDUSSCGKSA-N	-2	1	358.419	3.246	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427262601	500375187	/nfs/dbraw/zinc/37/51/87/500375187.db2.gz	KGPZRQROQMZRQW-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1	ZINC000506601416	503141279	/nfs/dbraw/zinc/14/12/79/503141279.db2.gz	QEBGYEWZBOTERA-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(C(=O)[O-])c1	ZINC000507582732	503327137	/nfs/dbraw/zinc/32/71/37/503327137.db2.gz	KWXODTPOBFECRB-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1	ZINC000512785993	503631342	/nfs/dbraw/zinc/63/13/42/503631342.db2.gz	RZRRCOZRTDINAU-UHFFFAOYSA-N	-2	1	361.419	3.367	20	30		FGEDML
N#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1	ZINC000739133119	600057833	/nfs/dbraw/zinc/05/78/33/600057833.db2.gz	BYYRVTMCJYWIMD-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000740052164	603261472	/nfs/dbraw/zinc/26/14/72/603261472.db2.gz	LEXOVRNLNLRFDK-UHFFFAOYSA-N	-2	1	371.418	3.098	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc(C(=O)[O-])c1Cl	ZINC000759092642	722999408	/nfs/dbraw/zinc/99/94/08/722999408.db2.gz	XHUWJKYXLNCUBE-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CCCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1	ZINC000475809978	502297647	/nfs/dbraw/zinc/29/76/47/502297647.db2.gz	WDHYTMBMZQOWHR-UHFFFAOYSA-N	-2	1	358.419	3.204	20	30		FGEDML
O=C([O-])c1cccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)c1	ZINC000814767758	598201400	/nfs/dbraw/zinc/20/14/00/598201400.db2.gz	TVXPOWQEHAQRNP-UHFFFAOYSA-N	-2	1	370.459	3.440	20	30		FGEDML
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1	ZINC000739207296	602864891	/nfs/dbraw/zinc/86/48/91/602864891.db2.gz	DDAWNFAWPUJFQI-CQSZACIVSA-N	-2	1	369.377	3.093	20	30		FGEDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000793351359	723427964	/nfs/dbraw/zinc/42/79/64/723427964.db2.gz	BWMGDBUBEYZAOS-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])ccc1C#N	ZINC000324428742	498826951	/nfs/dbraw/zinc/82/69/51/498826951.db2.gz	UUEDNUVVWLZCJU-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000391138672	499556514	/nfs/dbraw/zinc/55/65/14/499556514.db2.gz	GXFRDSOPXQULDW-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1	ZINC000736094559	600098803	/nfs/dbraw/zinc/09/88/03/600098803.db2.gz	MDCMMCYLWNQPCV-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1C(F)(F)F	ZINC000410038109	499637629	/nfs/dbraw/zinc/63/76/29/499637629.db2.gz	MAPNFUONZKWHKD-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1)C(=O)[O-]	ZINC000435699156	501014279	/nfs/dbraw/zinc/01/42/79/501014279.db2.gz	WMJKNKWYZRCVKZ-OAHLLOKOSA-N	-2	1	372.446	3.321	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1	ZINC000736094590	600099075	/nfs/dbraw/zinc/09/90/75/600099075.db2.gz	OKOZEVXIIIRHKP-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1	ZINC000181768010	496537309	/nfs/dbraw/zinc/53/73/09/496537309.db2.gz	CJFBFYZZRUWXCY-LBPRGKRZSA-N	-2	1	358.419	3.246	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1C(=O)[O-]	ZINC000323777428	498822241	/nfs/dbraw/zinc/82/22/41/498822241.db2.gz	BZPYNGVDDFROSK-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000511127555	503263167	/nfs/dbraw/zinc/26/31/67/503263167.db2.gz	WCAUEQQBAZXNNX-UHFFFAOYSA-N	-2	1	361.419	3.069	20	30		FGEDML
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Br)cc(F)c1[O-]	ZINC000783862627	605328895	/nfs/dbraw/zinc/32/88/95/605328895.db2.gz	MHJSEJMSVVBCIE-UHFFFAOYSA-N	-2	1	368.162	3.223	20	30		FGEDML
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833787778	605641286	/nfs/dbraw/zinc/64/12/86/605641286.db2.gz	BNDRYMCLHQYRCI-UHFFFAOYSA-N	-2	1	356.378	3.319	20	30		FGEDML
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833788400	605644493	/nfs/dbraw/zinc/64/44/93/605644493.db2.gz	XWYHAECZBKMCTL-UHFFFAOYSA-N	-2	1	371.349	3.219	20	30		FGEDML
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1	ZINC000917732164	758263161	/nfs/dbraw/zinc/26/31/61/758263161.db2.gz	PHMJIMDJROLFOD-UHFFFAOYSA-N	-2	1	355.415	3.046	20	30		FGEDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1	ZINC000026547937	494832019	/nfs/dbraw/zinc/83/20/19/494832019.db2.gz	TVACRQSOHSEPOU-UHFFFAOYSA-N	-2	1	358.419	3.295	20	30		FGEDML
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1Cl	ZINC000391937981	499557607	/nfs/dbraw/zinc/55/76/07/499557607.db2.gz	LWSFITQEFNCPPE-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1	ZINC000511726294	503377189	/nfs/dbraw/zinc/37/71/89/503377189.db2.gz	HKPJPZOYOKAECW-UHFFFAOYSA-N	-2	1	373.430	3.239	20	30		FGEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000604307321	506780884	/nfs/dbraw/zinc/78/08/84/506780884.db2.gz	XIUJEYFRCGXMTN-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000832849600	604399436	/nfs/dbraw/zinc/39/94/36/604399436.db2.gz	LHIONJZYYGKWIA-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CCCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1	ZINC000619461849	714838513	/nfs/dbraw/zinc/83/85/13/714838513.db2.gz	SSGIMVKGBYHMNS-UHFFFAOYSA-N	-2	1	358.419	3.204	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1C(F)(F)F	ZINC000410036576	499637634	/nfs/dbraw/zinc/63/76/34/499637634.db2.gz	FGIWCOUOVJVDDX-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1	ZINC000440814848	501051566	/nfs/dbraw/zinc/05/15/66/501051566.db2.gz	FVOMBPTYTZPRJQ-UHFFFAOYSA-N	-2	1	361.419	3.313	20	30		FGEDML
N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cc1	ZINC000739121142	600057780	/nfs/dbraw/zinc/05/77/80/600057780.db2.gz	LFWOSSISGLGJSX-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
Cc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])sc1SCC#N	ZINC000740223378	602851716	/nfs/dbraw/zinc/85/17/16/602851716.db2.gz	REKXCHRUJYFETD-UHFFFAOYSA-N	-2	1	364.408	3.115	20	30		FGEDML
O=C([O-])c1ccccc1NN=Cc1cc(O)c([O-])c(Br)c1	ZINC000757570312	605094915	/nfs/dbraw/zinc/09/49/15/605094915.db2.gz	WCMUPRRVKUENFB-UHFFFAOYSA-N	-2	1	351.156	3.005	20	30		FGEDML
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC000833378897	605123912	/nfs/dbraw/zinc/12/39/12/605123912.db2.gz	RAQBGMTUGYLFTD-UHFFFAOYSA-N	-2	1	373.430	3.168	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc(C(=O)[O-])c1Cl	ZINC000759091970	722999348	/nfs/dbraw/zinc/99/93/48/722999348.db2.gz	QZEFHUSVHUHQMM-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000548527647	504478513	/nfs/dbraw/zinc/47/85/13/504478513.db2.gz	TYQRMOFMBSCMGG-UHFFFAOYSA-N	-2	1	368.480	3.322	20	30		FGEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc(C(=O)[O-])c1F	ZINC000133197997	700835959	/nfs/dbraw/zinc/83/59/59/700835959.db2.gz	YTYIJOBFJORZJU-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
Cc1cc(Br)c(O)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1	ZINC000582304189	506182148	/nfs/dbraw/zinc/18/21/48/506182148.db2.gz	DHBUAIZEKDGNJP-UHFFFAOYSA-N	-2	1	361.261	3.145	20	30		FGEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1CC	ZINC000439628002	500920051	/nfs/dbraw/zinc/92/00/51/500920051.db2.gz	WVOBUNJVRCOSIR-UHFFFAOYSA-N	-2	1	373.434	3.051	20	30		FGEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000476256636	502432832	/nfs/dbraw/zinc/43/28/32/502432832.db2.gz	ZULLVCKHPLSIHR-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
N#CC(=C([O-])c1cccc(OCC(=O)[O-])c1)c1nc2cc(F)ccc2s1	ZINC000739074969	600127386	/nfs/dbraw/zinc/12/73/86/600127386.db2.gz	OFBGJPSCYKGJAJ-CYBMUJFWSA-N	-2	1	370.361	3.389	20	30		FGEDML
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1	ZINC000738495685	602844710	/nfs/dbraw/zinc/84/47/10/602844710.db2.gz	NUIWZVKTUUUIDJ-UHFFFAOYSA-N	-2	1	370.365	3.042	20	30		FGEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000179026290	705685457	/nfs/dbraw/zinc/68/54/57/705685457.db2.gz	WMXZJDOQLFJUPG-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000754745389	722945223	/nfs/dbraw/zinc/94/52/23/722945223.db2.gz	RBWMIKXFRBALEX-UHFFFAOYSA-N	-2	1	369.320	3.186	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1C(F)(F)F	ZINC000410031061	499637243	/nfs/dbraw/zinc/63/72/43/499637243.db2.gz	STWUJUJCQFFNOI-UHFFFAOYSA-N	-2	1	370.308	3.076	20	30		FGEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000462098840	502306793	/nfs/dbraw/zinc/30/67/93/502306793.db2.gz	BAJPTQOKHVTKIL-UHFFFAOYSA-N	-2	1	373.434	3.188	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1	ZINC000558586176	505431508	/nfs/dbraw/zinc/43/15/08/505431508.db2.gz	FBNQQTSVIMPTIS-UHFFFAOYSA-N	-2	1	361.419	3.069	20	30		FGEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619470088	714840584	/nfs/dbraw/zinc/84/05/84/714840584.db2.gz	HWRQWKDRNFGVNO-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])ccc1Cl	ZINC000154449837	495619684	/nfs/dbraw/zinc/61/96/84/495619684.db2.gz	KJZBKQISUDHAIP-UHFFFAOYSA-N	-2	1	371.201	3.364	20	30		FGEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-]	ZINC000509388777	502889432	/nfs/dbraw/zinc/88/94/32/502889432.db2.gz	RIBNLVKJLLCOQA-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000489693968	503013310	/nfs/dbraw/zinc/01/33/10/503013310.db2.gz	GKVZEWSUHMEHAO-UHFFFAOYSA-N	-2	1	365.382	3.280	20	30		FGEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1	ZINC000833370755	605187304	/nfs/dbraw/zinc/18/73/04/605187304.db2.gz	RPUQYYQAAUPUPV-UHFFFAOYSA-N	-2	1	361.419	3.449	20	30		FGEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000392071856	499557787	/nfs/dbraw/zinc/55/77/87/499557787.db2.gz	UAEIXCYZFBDWBL-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475784747	502291357	/nfs/dbraw/zinc/29/13/57/502291357.db2.gz	DZAGCCBERYWIAS-UHFFFAOYSA-N	-2	1	358.419	3.375	20	30		FGEDML
Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000610501530	507265216	/nfs/dbraw/zinc/26/52/16/507265216.db2.gz	KJHIIZUXXFJMMQ-UHFFFAOYSA-N	-2	1	368.773	3.158	20	30		FGEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)ccc1Cl	ZINC000739099328	600100982	/nfs/dbraw/zinc/10/09/82/600100982.db2.gz	UTSHHFHHZJKXRQ-UHFFFAOYSA-N	-2	1	369.761	3.241	20	30		FGEDML
CCCCCCCC[C@@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000825271751	608568207	/nfs/dbraw/zinc/56/82/07/608568207.db2.gz	NMQAQOGIWJHCJR-GFCCVEGCSA-N	-2	1	358.450	3.177	20	30		FGEDML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000055587068	494367633	/nfs/dbraw/zinc/36/76/33/494367633.db2.gz	IQLIQFZMGIAJBE-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000484823557	502747713	/nfs/dbraw/zinc/74/77/13/502747713.db2.gz	UEZLMWJWTYFFRU-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC000833747540	605169281	/nfs/dbraw/zinc/16/92/81/605169281.db2.gz	UQYGNMWKXBUOFB-UHFFFAOYSA-N	-2	1	350.783	3.019	20	30		FGEDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619462169	714838806	/nfs/dbraw/zinc/83/88/06/714838806.db2.gz	KWWWRKBYWGWNMB-UHFFFAOYSA-N	-2	1	358.419	3.375	20	30		FGEDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1	ZINC000619463639	714839232	/nfs/dbraw/zinc/83/92/32/714839232.db2.gz	HBPMSXKOKCGSHK-CYBMUJFWSA-N	-2	1	358.419	3.132	20	30		FGEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1C(=O)[O-]	ZINC000156279601	496204830	/nfs/dbraw/zinc/20/48/30/496204830.db2.gz	RHCYDPKMOBLLOF-UHFFFAOYSA-N	-2	1	364.810	3.328	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1)C(=O)[O-]	ZINC000184902448	496577622	/nfs/dbraw/zinc/57/76/22/496577622.db2.gz	ZFNWNBITBWTRAV-MRXNPFEDSA-N	-2	1	372.446	3.321	20	30		FGEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1)C(=O)[O-]	ZINC000475797069	502294449	/nfs/dbraw/zinc/29/44/49/502294449.db2.gz	KXNHDSJPUUTWER-OAHLLOKOSA-N	-2	1	372.446	3.207	20	30		FGEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000476277205	502440815	/nfs/dbraw/zinc/44/08/15/502440815.db2.gz	PBYLTRSDLMEABT-UHFFFAOYSA-N	-2	1	364.810	3.214	20	30		FGEDML
N#Cc1ccc(C2=CCN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)cc1	ZINC000833972302	605510331	/nfs/dbraw/zinc/51/03/31/605510331.db2.gz	ZGYVNCNKOOGGCB-UHFFFAOYSA-N	-2	1	363.373	3.283	20	30		FGEDML