smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000541802941	504259949	/nfs/dbraw/zinc/25/99/49/504259949.db2.gz	ULKZIXIASCOTDA-UHFFFAOYSA-N	-2	0	370.308	3.076	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1	ZINC000736094484	600098714	/nfs/dbraw/zinc/09/87/14/600098714.db2.gz	HLIJSBDECWUOGO-UHFFFAOYSA-N	-2	0	353.421	3.202	20	30		FGEDRL
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000740630384	603370656	/nfs/dbraw/zinc/37/06/56/603370656.db2.gz	VKONINABIFZCOT-FYYMHVLOSA-N	-2	0	355.778	3.199	20	30		FGEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000762616817	723262729	/nfs/dbraw/zinc/26/27/29/723262729.db2.gz	ITFAKKFFPWOMTE-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c(-c2cccs2)n1	ZINC000769610523	723690631	/nfs/dbraw/zinc/69/06/31/723690631.db2.gz	SBMLZKQVGJHURH-FNORWQNLSA-N	-2	0	354.387	3.449	20	30		FGEDRL
O=C([O-])c1ccc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)nc1	ZINC000814890401	727008879	/nfs/dbraw/zinc/00/88/79/727008879.db2.gz	MULYVOPKWGOICW-UHFFFAOYSA-N	-2	0	359.769	3.018	20	30		FGEDRL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])c1	ZINC000919961360	758494674	/nfs/dbraw/zinc/49/46/74/758494674.db2.gz	CDQLTBRCZNFJAY-UHFFFAOYSA-N	-2	0	358.419	3.355	20	30		FGEDRL
Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)n[nH]2)o1	ZINC000448251377	500738920	/nfs/dbraw/zinc/73/89/20/500738920.db2.gz	FAIUSFNGBKPFRP-UHFFFAOYSA-N	-2	0	360.333	3.152	20	30		FGEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000547865811	504253884	/nfs/dbraw/zinc/25/38/84/504253884.db2.gz	FCUSQVBWIXMKDW-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1	ZINC000548197612	504366827	/nfs/dbraw/zinc/36/68/27/504366827.db2.gz	FFUSMJXCHJGIQQ-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
N#CC(=C([O-])c1csc(CNC(=O)[O-])n1)c1nc2ccccc2s1	ZINC000740303189	602728285	/nfs/dbraw/zinc/72/82/85/602728285.db2.gz	HQNHUBCHJGBQRC-MRVPVSSYSA-N	-2	0	358.404	3.010	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000740035337	602926641	/nfs/dbraw/zinc/92/66/41/602926641.db2.gz	QWDFSGNCBMLQHC-ZDUSSCGKSA-N	-2	0	355.394	3.194	20	30		FGEDRL
C[C@@H](Oc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1)C(=O)[O-]	ZINC000746677541	722614418	/nfs/dbraw/zinc/61/44/18/722614418.db2.gz	YIZFIQURIKITGE-SNVBAGLBSA-N	-2	0	362.769	3.336	20	30		FGEDRL
O=C([O-])CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000915938975	758006765	/nfs/dbraw/zinc/00/67/65/758006765.db2.gz	KDSVNMCMVZZECC-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1C#N	ZINC000134617984	495176883	/nfs/dbraw/zinc/17/68/83/495176883.db2.gz	PCOKGWFYONPPEI-UHFFFAOYSA-N	-2	0	358.419	3.075	20	30		FGEDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C	ZINC000477398240	502764459	/nfs/dbraw/zinc/76/44/59/502764459.db2.gz	NSGRSNWHFSROTN-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000547871159	504255702	/nfs/dbraw/zinc/25/57/02/504255702.db2.gz	HDAXDDKMTMFYOY-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(OCC(=O)[O-])c1	ZINC000833386652	605155899	/nfs/dbraw/zinc/15/58/99/605155899.db2.gz	PCSXNGQGLRPMOV-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(Cl)c1	ZINC000833976357	605751800	/nfs/dbraw/zinc/75/18/00/605751800.db2.gz	FIUKEQPQRGVIIO-UHFFFAOYSA-N	-2	0	351.771	3.102	20	30		FGEDRL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1	ZINC000779830983	724429315	/nfs/dbraw/zinc/42/93/15/724429315.db2.gz	SCDCXFKEJWYPAB-UHFFFAOYSA-N	-2	0	371.748	3.099	20	30		FGEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000471131076	501930710	/nfs/dbraw/zinc/93/07/10/501930710.db2.gz	NURURWWYIXXTKY-UHFFFAOYSA-N	-2	0	374.418	3.073	20	30		FGEDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)o1	ZINC000740187516	599736699	/nfs/dbraw/zinc/73/66/99/599736699.db2.gz	OZQYZPXWMBHSAS-UHFFFAOYSA-N	-2	0	373.411	3.240	20	30		FGEDRL
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc3c2N(C(=O)[O-])CC3)cc1	ZINC000831815881	603812877	/nfs/dbraw/zinc/81/28/77/603812877.db2.gz	VHTYZHKRGQYUQD-CMDGGOBGSA-N	-2	0	351.358	3.250	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829828388	604214108	/nfs/dbraw/zinc/21/41/08/604214108.db2.gz	PMKVWQZVSDEPMS-GZBFAFLISA-N	-2	0	367.405	3.194	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794702266	604988795	/nfs/dbraw/zinc/98/87/95/604988795.db2.gz	NFVYUTOFXBQTAX-VUQUXZKVSA-N	-2	0	357.318	3.048	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])o1	ZINC000569283789	505896167	/nfs/dbraw/zinc/89/61/67/505896167.db2.gz	OSSJATJOHOYJOL-UHFFFAOYSA-N	-2	0	374.399	3.379	20	30		FGEDRL
Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000548199363	504367813	/nfs/dbraw/zinc/36/78/13/504367813.db2.gz	LOYVLYREKBQLRW-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000739075422	599839620	/nfs/dbraw/zinc/83/96/20/599839620.db2.gz	FOZMQDDRXYCCGR-UHFFFAOYSA-N	-2	0	362.432	3.191	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829828389	604214045	/nfs/dbraw/zinc/21/40/45/604214045.db2.gz	PMKVWQZVSDEPMS-KCQAQPDRSA-N	-2	0	367.405	3.194	20	30		FGEDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCCC#N	ZINC000467749628	501860412	/nfs/dbraw/zinc/86/04/12/501860412.db2.gz	PQWNNJSMEIUOAS-UHFFFAOYSA-N	-2	0	366.420	3.093	20	30		FGEDRL
C[C@H](Oc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794854617	602065274	/nfs/dbraw/zinc/06/52/74/602065274.db2.gz	JOQIIJDSHYZULD-JTQLQIEISA-N	-2	0	362.769	3.336	20	30		FGEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)CC2	ZINC000832852586	602110095	/nfs/dbraw/zinc/11/00/95/602110095.db2.gz	BHUDNUSINSDWMH-GJSJWPQCSA-N	-2	0	370.357	3.351	20	30		FGEDRL
N#Cc1nc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[n-]c1C#N	ZINC000162714133	496400782	/nfs/dbraw/zinc/40/07/82/496400782.db2.gz	WWQNTCSTBYCEKN-UHFFFAOYSA-N	-2	0	363.764	3.431	20	30		FGEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000179026157	496649221	/nfs/dbraw/zinc/64/92/21/496649221.db2.gz	FAWORORWZVVTMF-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000757472118	722976581	/nfs/dbraw/zinc/97/65/81/722976581.db2.gz	LGGOMQPDKJTSKG-FPYGCLRLSA-N	-2	0	350.273	3.050	20	30		FGEDRL
Cn1cc(-c2ccc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])s2)cn1	ZINC000800794853	724228680	/nfs/dbraw/zinc/22/86/80/724228680.db2.gz	RPNHLXIWTZRSHU-ZZXKWVIFSA-N	-2	0	354.387	3.449	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1	ZINC000787169659	725018594	/nfs/dbraw/zinc/01/85/94/725018594.db2.gz	QTUYGRFNIPNJQJ-BQYQJAHWSA-N	-2	0	360.749	3.398	20	30		FGEDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547871115	504255659	/nfs/dbraw/zinc/25/56/59/504255659.db2.gz	CQZTWZLEFVLGCE-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1	ZINC000591681518	507330325	/nfs/dbraw/zinc/33/03/25/507330325.db2.gz	NMBGAMCBFSQTGO-UHFFFAOYSA-N	-2	0	353.421	3.120	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000438771943	500818802	/nfs/dbraw/zinc/81/88/02/500818802.db2.gz	IUILOSDJPSFJPW-UHFFFAOYSA-N	-2	0	365.382	3.280	20	30		FGEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000517724844	503818720	/nfs/dbraw/zinc/81/87/20/503818720.db2.gz	CGQGGNDUJPTIPJ-UHFFFAOYSA-N	-2	0	374.418	3.073	20	30		FGEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1)C(=O)[O-]	ZINC000184904543	496579190	/nfs/dbraw/zinc/57/91/90/496579190.db2.gz	DWUOVGIDVXSERO-HNNXBMFYSA-N	-2	0	372.446	3.321	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1C(=O)[O-]	ZINC000564843333	505535391	/nfs/dbraw/zinc/53/53/91/505535391.db2.gz	MBHYNVMNZLDERF-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000829828494	604214334	/nfs/dbraw/zinc/21/43/34/604214334.db2.gz	SUPKGZBGOGKCCX-CYBMUJFWSA-N	-2	0	365.345	3.042	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000783700199	724779868	/nfs/dbraw/zinc/77/98/68/724779868.db2.gz	QSSMQWKXFJFAAJ-SREVYHEPSA-N	-2	0	360.749	3.398	20	30		FGEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000463524661	501750769	/nfs/dbraw/zinc/75/07/69/501750769.db2.gz	FHRYCJLAAKAFIB-UHFFFAOYSA-N	-2	0	374.418	3.189	20	30		FGEDRL
C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736202410	599838418	/nfs/dbraw/zinc/83/84/18/599838418.db2.gz	NISRGMCRELGTRA-SNVBAGLBSA-N	-2	0	366.420	3.030	20	30		FGEDRL
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000740630386	603370471	/nfs/dbraw/zinc/37/04/71/603370471.db2.gz	VKONINABIFZCOT-NBNZJCSLSA-N	-2	0	355.778	3.199	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829828405	604214390	/nfs/dbraw/zinc/21/43/90/604214390.db2.gz	PMKVWQZVSDEPMS-VNHYZAJKSA-N	-2	0	367.405	3.194	20	30		FGEDRL
N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc(-c2ccccc2)cs1	ZINC000833960141	606012769	/nfs/dbraw/zinc/01/27/69/606012769.db2.gz	GHUBTOIWXLXGPJ-NSHDSACASA-N	-2	0	365.374	3.180	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1	ZINC000321648694	498813411	/nfs/dbraw/zinc/81/34/11/498813411.db2.gz	MFEKTEBWFPUTTD-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)ccc1C#N	ZINC000435694445	501013622	/nfs/dbraw/zinc/01/36/22/501013622.db2.gz	BTBQQSXQRPGZDD-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000560492745	505103021	/nfs/dbraw/zinc/10/30/21/505103021.db2.gz	AZZDBSAADBMULD-QMMMGPOBSA-N	-2	0	372.657	3.345	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000609379872	506870962	/nfs/dbraw/zinc/87/09/62/506870962.db2.gz	PHEQEESKQDHFKQ-UHFFFAOYSA-N	-2	0	368.461	3.253	20	30		FGEDRL
CC[C@H](NC(=O)N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)C(F)(F)F	ZINC000640386604	717734791	/nfs/dbraw/zinc/73/47/91/717734791.db2.gz	MRAUVWMEJIJKBK-VKHMYHEASA-N	-2	0	372.241	3.077	20	30		FGEDRL
O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000730729654	722470219	/nfs/dbraw/zinc/47/02/19/722470219.db2.gz	LINCRBLFSPOARF-XVNBXDOJSA-N	-2	0	352.264	3.484	20	30		FGEDRL
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000026547930	494831430	/nfs/dbraw/zinc/83/14/30/494831430.db2.gz	GGJHCECKAJPICG-UHFFFAOYSA-N	-2	0	350.421	3.048	20	30		FGEDRL
COc1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc(OC)c1O	ZINC000299146405	498977907	/nfs/dbraw/zinc/97/79/07/498977907.db2.gz	DACIHRIQXZYKBC-WDZFZDKYSA-N	-2	0	358.346	3.222	20	30		FGEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C	ZINC000410395615	499660043	/nfs/dbraw/zinc/66/00/43/499660043.db2.gz	CVSSJCCTDVPGQM-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1sc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1C	ZINC000833758225	605303112	/nfs/dbraw/zinc/30/31/12/605303112.db2.gz	SFYXZNJWTHOHAF-UHFFFAOYSA-N	-2	0	370.839	3.389	20	30		FGEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000177990601	496278136	/nfs/dbraw/zinc/27/81/36/496278136.db2.gz	UXNSCUBKJVAEGJ-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-]	ZINC000184901963	496577595	/nfs/dbraw/zinc/57/75/95/496577595.db2.gz	ADQDYDVXTBEXPZ-AWEZNQCLSA-N	-2	0	358.419	3.012	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1	ZINC000321253330	498812312	/nfs/dbraw/zinc/81/23/12/498812312.db2.gz	KQWCGYWTWFGILW-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1	ZINC000463528898	501752114	/nfs/dbraw/zinc/75/21/14/501752114.db2.gz	RYQGTMPSGZNMIC-UHFFFAOYSA-N	-2	0	374.418	3.018	20	30		FGEDRL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000320096518	601320532	/nfs/dbraw/zinc/32/05/32/601320532.db2.gz	ZTDWZQBHRIFFDV-UHFFFAOYSA-N	-2	0	370.213	3.474	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000794702616	602109672	/nfs/dbraw/zinc/10/96/72/602109672.db2.gz	ZZIZUZFOGKHYGJ-VKUYVZBCSA-N	-2	0	354.358	3.062	20	30		FGEDRL
O=C([O-])N[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000740540573	603370867	/nfs/dbraw/zinc/37/08/67/603370867.db2.gz	SABPMCAKHUNZHB-WUQDTEKSSA-N	-2	0	363.757	3.382	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1C#N	ZINC000137636520	495447429	/nfs/dbraw/zinc/44/74/29/495447429.db2.gz	GUUZAHFMQKQCPM-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1	ZINC000177990699	496278382	/nfs/dbraw/zinc/27/83/82/496278382.db2.gz	DOTVOKSDROKSNY-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)sc1C(=O)[O-]	ZINC000192769161	497208713	/nfs/dbraw/zinc/20/87/13/497208713.db2.gz	ZONPPBXNWWKDHV-UHFFFAOYSA-N	-2	0	364.448	3.357	20	30		FGEDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000322172255	498817165	/nfs/dbraw/zinc/81/71/65/498817165.db2.gz	NNUTXGHKGLZJIM-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000440827802	501054033	/nfs/dbraw/zinc/05/40/33/501054033.db2.gz	FRJJLPDWJQRAPI-UHFFFAOYSA-N	-2	0	374.418	3.018	20	30		FGEDRL
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Oc2ccccc2)ccc1[O-]	ZINC000436720778	501196136	/nfs/dbraw/zinc/19/61/36/501196136.db2.gz	FJVKSMIIZGYECD-UHFFFAOYSA-N	-2	0	360.373	3.331	20	30		FGEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)ccc1C(=O)[O-]	ZINC000506728804	503162093	/nfs/dbraw/zinc/16/20/93/503162093.db2.gz	ZLXILILIYCFSDK-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000547872258	504255528	/nfs/dbraw/zinc/25/55/28/504255528.db2.gz	YVJFYDLZNQSGNL-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000794702612	602109556	/nfs/dbraw/zinc/10/95/56/602109556.db2.gz	ZZIZUZFOGKHYGJ-GXJZLWQJSA-N	-2	0	354.358	3.062	20	30		FGEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000614325652	507461297	/nfs/dbraw/zinc/46/12/97/507461297.db2.gz	BNGZENQHSRLOQP-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000739076542	599839543	/nfs/dbraw/zinc/83/95/43/599839543.db2.gz	YGENOJQXUQLOGS-UHFFFAOYSA-N	-2	0	368.461	3.253	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000736094817	600099041	/nfs/dbraw/zinc/09/90/41/600099041.db2.gz	XWRCEJNTIPHTJN-UHFFFAOYSA-N	-2	0	365.382	3.280	20	30		FGEDRL
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1OCC(=O)[O-]	ZINC000833387190	605323212	/nfs/dbraw/zinc/32/32/12/605323212.db2.gz	SUMQJBLOBQMHMW-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1Cl	ZINC000156325808	705111528	/nfs/dbraw/zinc/11/15/28/705111528.db2.gz	ZRBLFBIRRPIXFG-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(O)c(Br)c2)c1	ZINC000757475092	722976564	/nfs/dbraw/zinc/97/65/64/722976564.db2.gz	WXFRPEXTUZVURU-RJRFIUFISA-N	-2	0	363.163	3.455	20	30		FGEDRL
COc1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)ccc1OCC(=O)[O-]	ZINC000768759079	723666581	/nfs/dbraw/zinc/66/65/81/723666581.db2.gz	XEEROHFFFXGJDQ-GORDUTHDSA-N	-2	0	362.765	3.414	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000177990386	496277945	/nfs/dbraw/zinc/27/79/45/496277945.db2.gz	HMMBKHYEKRGXIE-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000322187389	498816854	/nfs/dbraw/zinc/81/68/54/498816854.db2.gz	PZTPJHIHZRVASX-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)ccc1C#N	ZINC000410399402	499660114	/nfs/dbraw/zinc/66/01/14/499660114.db2.gz	VGPHAXYDJPERNA-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000443418912	500722483	/nfs/dbraw/zinc/72/24/83/500722483.db2.gz	OWMODPCHWKKKOP-UHFFFAOYSA-N	-2	0	361.419	3.313	20	30		FGEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000484985819	502793063	/nfs/dbraw/zinc/79/30/63/502793063.db2.gz	JGRKUSDNMAXTFZ-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1	ZINC000507570748	503325270	/nfs/dbraw/zinc/32/52/70/503325270.db2.gz	ZLBFQAXGPOJBOZ-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000512790113	503632069	/nfs/dbraw/zinc/63/20/69/503632069.db2.gz	GTIFDKKFDPXLPG-UHFFFAOYSA-N	-2	0	374.418	3.073	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000794704197	604743799	/nfs/dbraw/zinc/74/37/99/604743799.db2.gz	YBSPSAVJGWHNEK-VUQUXZKVSA-N	-2	0	357.318	3.048	20	30		FGEDRL
CSc1[n-]c(=O)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1C#N	ZINC000474440285	501838333	/nfs/dbraw/zinc/83/83/33/501838333.db2.gz	XVYSYZOOKMKZIS-UHFFFAOYSA-N	-2	0	353.762	3.131	20	30		FGEDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000833741500	605597136	/nfs/dbraw/zinc/59/71/36/605597136.db2.gz	PKKRTPBXINRBAC-UHFFFAOYSA-N	-2	0	356.812	3.081	20	30		FGEDRL
N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2cc(Cl)ccc2s1	ZINC000833960449	606013005	/nfs/dbraw/zinc/01/30/05/606013005.db2.gz	IZBPHIOEVQQXOH-QMMMGPOBSA-N	-2	0	373.781	3.320	20	30		FGEDRL
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(OCC(=O)[O-])c1	ZINC000916259536	758057911	/nfs/dbraw/zinc/05/79/11/758057911.db2.gz	NXFIUEOMTSXKCN-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
[O-]c1c(Cl)cc(Cl)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000916305513	758067727	/nfs/dbraw/zinc/06/77/27/758067727.db2.gz	TWGZSTYWBDBZJS-UHFFFAOYSA-N	-2	0	357.144	3.480	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C(F)(F)F)c1	ZINC000543665858	503846460	/nfs/dbraw/zinc/84/64/60/503846460.db2.gz	NCJAWIPWKVXPLK-UHFFFAOYSA-N	-2	0	370.308	3.076	20	30		FGEDRL
N#Cc1cccc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)c1	ZINC000833074779	601319219	/nfs/dbraw/zinc/31/92/19/601319219.db2.gz	CDWJNVZFRDVKLW-UHFFFAOYSA-N	-2	0	351.387	3.053	20	30		FGEDRL
Cc1sc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1C	ZINC000833758081	605303218	/nfs/dbraw/zinc/30/32/18/605303218.db2.gz	LSHIFANFMKUKRN-UHFFFAOYSA-N	-2	0	370.839	3.389	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1	ZINC000749144674	722717711	/nfs/dbraw/zinc/71/77/11/722717711.db2.gz	ZHKRPQRKGMMXLI-UHFFFAOYSA-N	-2	0	365.382	3.198	20	30		FGEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(O)c(Br)c2)c1	ZINC000757475090	722976544	/nfs/dbraw/zinc/97/65/44/722976544.db2.gz	WXFRPEXTUZVURU-DAFODLJHSA-N	-2	0	363.163	3.455	20	30		FGEDRL
Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1C(=O)[O-]	ZINC000548532541	504478329	/nfs/dbraw/zinc/47/83/29/504478329.db2.gz	ACYIPOYHHXKJTR-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc(C#N)cc1CO	ZINC000565237626	504831974	/nfs/dbraw/zinc/83/19/74/504831974.db2.gz	JTLYVLDVDXMSQG-UHFFFAOYSA-N	-2	0	353.374	3.059	20	30		FGEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000833914232	605972774	/nfs/dbraw/zinc/97/27/74/605972774.db2.gz	SVHYCVZSCCOJOD-VIFPVBQESA-N	-2	0	355.379	3.216	20	30		FGEDRL
O=C([O-])c1cc(C(=O)/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)cs1	ZINC000730730091	722470217	/nfs/dbraw/zinc/47/02/17/722470217.db2.gz	UJFCUWMUZHWORB-ZZXKWVIFSA-N	-2	0	368.313	3.399	20	30		FGEDRL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccsc2C#N)ccc1O	ZINC000844664793	730748457	/nfs/dbraw/zinc/74/84/57/730748457.db2.gz	VRYJMSPMKOQLCN-UHFFFAOYSA-N	-2	0	352.437	3.051	20	30		FGEDRL
N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1	ZINC000864238320	733045624	/nfs/dbraw/zinc/04/56/24/733045624.db2.gz	ILQDOGJOBOHIAC-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000610057588	507085452	/nfs/dbraw/zinc/08/54/52/507085452.db2.gz	MXQRJLNCSFIMCH-UHFFFAOYSA-N	-2	0	362.382	3.320	20	30		FGEDRL
C[C@H](C/N=C/c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000736586539	599762374	/nfs/dbraw/zinc/76/23/74/599762374.db2.gz	NJEXPJCIKIJYEE-DXOCJUPFSA-N	-2	0	365.021	3.057	20	30		FGEDRL
N#CC(=C([O-])c1ccc(C(=O)[O-])s1)c1nc(-c2ccncc2)cs1	ZINC000739073152	600459697	/nfs/dbraw/zinc/45/96/97/600459697.db2.gz	BSVACTQUWGIBEJ-JTQLQIEISA-N	-2	0	355.400	3.455	20	30		FGEDRL
O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000757472116	722976572	/nfs/dbraw/zinc/97/65/72/722976572.db2.gz	LGGOMQPDKJTSKG-BAQGIRSFSA-N	-2	0	350.273	3.050	20	30		FGEDRL
CC[C@H](/N=C/c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000828900838	601498686	/nfs/dbraw/zinc/49/86/86/601498686.db2.gz	LGWVCUCTXPDCLU-QFKBZZQOSA-N	-2	0	365.021	3.199	20	30		FGEDRL
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-]	ZINC000832859848	601499819	/nfs/dbraw/zinc/49/98/19/601499819.db2.gz	ZNTWFFKIEUVJDG-AWEZNQCLSA-N	-2	0	364.357	3.398	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000794702614	602109571	/nfs/dbraw/zinc/10/95/71/602109571.db2.gz	ZZIZUZFOGKHYGJ-TUOYRWMMSA-N	-2	0	354.358	3.062	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794702259	604988781	/nfs/dbraw/zinc/98/87/81/604988781.db2.gz	NFVYUTOFXBQTAX-OHYQPGSNSA-N	-2	0	357.318	3.048	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1Cl	ZINC000156251904	705107995	/nfs/dbraw/zinc/10/79/95/705107995.db2.gz	NSIXBQJXLXFDTR-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000756936846	722972151	/nfs/dbraw/zinc/97/21/51/722972151.db2.gz	WFNMNCHQWRNHNM-UHFFFAOYSA-N	-2	0	369.345	3.029	20	30		FGEDRL
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000548534889	504479530	/nfs/dbraw/zinc/47/95/30/504479530.db2.gz	BGPUBRLMRBFBGG-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
O=C([O-])c1ccc(OCC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000740165324	599886861	/nfs/dbraw/zinc/88/68/61/599886861.db2.gz	MTAIDJIEZDZJMU-GIJQJNRQSA-N	-2	0	364.741	3.150	20	30		FGEDRL
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833516449	605187281	/nfs/dbraw/zinc/18/72/81/605187281.db2.gz	WXXUCLWBDQJPSZ-JTQLQIEISA-N	-2	0	366.420	3.173	20	30		FGEDRL
O=C([O-])c1cc(C(=O)/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)cs1	ZINC000730730090	722470244	/nfs/dbraw/zinc/47/02/44/722470244.db2.gz	UJFCUWMUZHWORB-UTCJRWHESA-N	-2	0	368.313	3.399	20	30		FGEDRL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1	ZINC000731338778	722474649	/nfs/dbraw/zinc/47/46/49/722474649.db2.gz	IIQVGWAQDPFWMY-UHFFFAOYSA-N	-2	0	370.213	3.474	20	30		FGEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000121724621	494846226	/nfs/dbraw/zinc/84/62/26/494846226.db2.gz	DYSPTBCHNPMJTC-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475814017	502299032	/nfs/dbraw/zinc/29/90/32/502299032.db2.gz	PSDWQNNMTURPRW-UHFFFAOYSA-N	-2	0	374.418	3.039	20	30		FGEDRL
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736545046	599974425	/nfs/dbraw/zinc/97/44/25/599974425.db2.gz	OBEDOIILTYTXER-JTQLQIEISA-N	-2	0	366.420	3.173	20	30		FGEDRL
Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc(C)c1OCC(=O)[O-]	ZINC000832881905	601825976	/nfs/dbraw/zinc/82/59/76/601825976.db2.gz	WDCXSNVOSGHQTC-HYXAFXHYSA-N	-3	0	370.357	3.067	20	30		FGEDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000833741266	605124945	/nfs/dbraw/zinc/12/49/45/605124945.db2.gz	FBBXZOLZMAZFRP-UHFFFAOYSA-N	-2	0	356.812	3.081	20	30		FGEDRL
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000194143024	497586318	/nfs/dbraw/zinc/58/63/18/497586318.db2.gz	NQOKNBZHCDTFHK-UHFFFAOYSA-N	-2	0	350.421	3.048	20	30		FGEDRL
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000446628233	501144704	/nfs/dbraw/zinc/14/47/04/501144704.db2.gz	KORLCFICPYILHI-UHFFFAOYSA-N	-2	0	364.448	3.416	20	30		FGEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc(C(=O)[O-])c1	ZINC000507582157	503326676	/nfs/dbraw/zinc/32/66/76/503326676.db2.gz	LGUVRQMFWQMNQR-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1	ZINC000504027793	503512485	/nfs/dbraw/zinc/51/24/85/503512485.db2.gz	YMIKMNPAXHDWDK-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
N#CC(=C([O-])c1csc(CNC(=O)[O-])n1)c1nc2ccccc2s1	ZINC000740303194	602728302	/nfs/dbraw/zinc/72/83/02/602728302.db2.gz	HQNHUBCHJGBQRC-QMMMGPOBSA-N	-2	0	358.404	3.010	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829828404	604214113	/nfs/dbraw/zinc/21/41/13/604214113.db2.gz	PMKVWQZVSDEPMS-UMVBOHGHSA-N	-2	0	367.405	3.194	20	30		FGEDRL
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C(=O)[O-]	ZINC000391159643	499556536	/nfs/dbraw/zinc/55/65/36/499556536.db2.gz	BZEYQKZDWWZNDH-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C	ZINC000466353479	502545142	/nfs/dbraw/zinc/54/51/42/502545142.db2.gz	MYUUXINIWASCPJ-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C	ZINC000484953515	502785782	/nfs/dbraw/zinc/78/57/82/502785782.db2.gz	CHZLZRBQBMGMOT-UHFFFAOYSA-N	-2	0	374.418	3.155	20	30		FGEDRL
CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000610057245	507084167	/nfs/dbraw/zinc/08/41/67/507084167.db2.gz	IUVQOIYQEGLIDL-UHFFFAOYSA-N	-2	0	362.382	3.149	20	30		FGEDRL
Cc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc(C)c1OCC(=O)[O-]	ZINC000738379818	600033546	/nfs/dbraw/zinc/03/35/46/600033546.db2.gz	SXXNEDPNZLBHDS-ARJAWSKDSA-N	-2	0	360.387	3.423	20	30		FGEDRL
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833516450	605187216	/nfs/dbraw/zinc/18/72/16/605187216.db2.gz	WXXUCLWBDQJPSZ-SNVBAGLBSA-N	-2	0	366.420	3.173	20	30		FGEDRL
N#Cc1ccc([O-])c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1	ZINC000790005911	723093437	/nfs/dbraw/zinc/09/34/37/723093437.db2.gz	AUMALYCGFGROQK-UHFFFAOYSA-N	-2	0	354.753	3.061	20	30		FGEDRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000542233138	504415384	/nfs/dbraw/zinc/41/53/84/504415384.db2.gz	GMSPHTJUSRNXSR-LLVKDONJSA-N	-2	0	362.382	3.076	20	30		FGEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-]	ZINC000740311510	603047026	/nfs/dbraw/zinc/04/70/26/603047026.db2.gz	QMAVSWVUJJLWPZ-UHFFFAOYSA-N	-2	0	351.771	3.102	20	30		FGEDRL
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C#N	ZINC000159256272	495695112	/nfs/dbraw/zinc/69/51/12/495695112.db2.gz	IXBMRFSUECFIFC-UHFFFAOYSA-N	-2	0	370.217	3.233	20	30		FGEDRL
C=CCCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000410345240	499656264	/nfs/dbraw/zinc/65/62/64/499656264.db2.gz	OSPWUUQPSPLXLM-UHFFFAOYSA-N	-2	0	350.378	3.115	20	30		FGEDRL
O=C([O-])c1ccc2c(C=NNc3ccc(Cl)c(C(=O)[O-])c3)[nH]nc2c1	ZINC000765548508	723523240	/nfs/dbraw/zinc/52/32/40/723523240.db2.gz	MALSWHQUXQVPNF-UHFFFAOYSA-N	-2	0	358.741	3.059	20	30		FGEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(F)c1	ZINC000808114283	725184358	/nfs/dbraw/zinc/18/43/58/725184358.db2.gz	VJOFXGFOTPOLCO-UHFFFAOYSA-N	-2	0	362.716	3.135	20	30		FGEDRL
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(=O)[O-])c1	ZINC000028352948	493787164	/nfs/dbraw/zinc/78/71/64/493787164.db2.gz	UFFIERUXVVTRGS-VCHYOVAHSA-N	-2	0	354.391	3.197	20	30		FGEDRL
Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1	ZINC000325203722	498834330	/nfs/dbraw/zinc/83/43/30/498834330.db2.gz	IKEIEXYDWPYQRQ-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc(OC)c1OC	ZINC000584598644	507429104	/nfs/dbraw/zinc/42/91/04/507429104.db2.gz	CKKOESBVRVVMQD-GQCTYLIASA-N	-2	0	358.346	3.012	20	30		FGEDRL
O=C([O-])COc1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000739833892	600567582	/nfs/dbraw/zinc/56/75/82/600567582.db2.gz	ZTVCYKMLNBIXGC-QGMBQPNBSA-N	-2	0	364.741	3.036	20	30		FGEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(O[C@H](C)C(=O)[O-])cc1)CC2	ZINC000832852588	602110212	/nfs/dbraw/zinc/11/02/12/602110212.db2.gz	BHUDNUSINSDWMH-NASPGAHYSA-N	-2	0	370.357	3.351	20	30		FGEDRL
C[C@@H](Oc1cccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)c1)C(=O)[O-]	ZINC000833538742	605156634	/nfs/dbraw/zinc/15/66/34/605156634.db2.gz	HEMJGHHGHKABRL-SNVBAGLBSA-N	-2	0	362.769	3.336	20	30		FGEDRL
N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc(-c2ccccc2)cs1	ZINC000833960140	606012719	/nfs/dbraw/zinc/01/27/19/606012719.db2.gz	GHUBTOIWXLXGPJ-LLVKDONJSA-N	-2	0	365.374	3.180	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000435146679	500938868	/nfs/dbraw/zinc/93/88/68/500938868.db2.gz	NWAHZHCGUJJZNQ-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1[O-]	ZINC000757472507	722976576	/nfs/dbraw/zinc/97/65/76/722976576.db2.gz	JPUPNVSJHCWBGB-IHWYPQMZSA-N	-2	0	351.261	3.189	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C(=O)[O-]	ZINC000391171616	499556555	/nfs/dbraw/zinc/55/65/55/499556555.db2.gz	GNOSGIVEXLNFOM-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(Cl)c(Cl)c2[O-])o1	ZINC000735450874	598494314	/nfs/dbraw/zinc/49/43/14/598494314.db2.gz	HQRYVOMIQKHZHI-UHFFFAOYSA-N	-2	0	368.184	3.012	20	30		FGEDRL
COc1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])ccc1OCC(=O)[O-]	ZINC000757466913	722976470	/nfs/dbraw/zinc/97/64/70/722976470.db2.gz	ANWFBEFOHQGKDS-GORDUTHDSA-N	-2	0	362.765	3.414	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000517436093	503745230	/nfs/dbraw/zinc/74/52/30/503745230.db2.gz	CIXKYWGMXCGHIM-UHFFFAOYSA-N	-2	0	368.461	3.253	20	30		FGEDRL
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736545049	599974153	/nfs/dbraw/zinc/97/41/53/599974153.db2.gz	OBEDOIILTYTXER-SNVBAGLBSA-N	-2	0	366.420	3.173	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000794704194	604743457	/nfs/dbraw/zinc/74/34/57/604743457.db2.gz	YBSPSAVJGWHNEK-SOZJPDODSA-N	-2	0	357.318	3.048	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1	ZINC000548521468	504475539	/nfs/dbraw/zinc/47/55/39/504475539.db2.gz	VKNQZXCHHGHMKZ-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc3c2N(C(=O)[O-])CC3)cc1	ZINC000831815882	603812484	/nfs/dbraw/zinc/81/24/84/603812484.db2.gz	VHTYZHKRGQYUQD-HJWRWDBZSA-N	-2	0	351.358	3.250	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c1	ZINC000787169661	725018593	/nfs/dbraw/zinc/01/85/93/725018593.db2.gz	QTUYGRFNIPNJQJ-FPLPWBNLSA-N	-2	0	360.749	3.398	20	30		FGEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)CC2	ZINC000832852589	602110245	/nfs/dbraw/zinc/11/02/45/602110245.db2.gz	BHUDNUSINSDWMH-VSXLWIIGSA-N	-2	0	370.357	3.351	20	30		FGEDRL
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000740630382	603370653	/nfs/dbraw/zinc/37/06/53/603370653.db2.gz	VKONINABIFZCOT-AFFYMHALSA-N	-2	0	355.778	3.199	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C\c2cccc3c2N(C(=O)[O-])CC3)c1	ZINC000831815820	603812669	/nfs/dbraw/zinc/81/26/69/603812669.db2.gz	SCECQBCSELJABW-FPLPWBNLSA-N	-2	0	367.357	3.087	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc(-c2ccncc2)cs1	ZINC000831064599	604240999	/nfs/dbraw/zinc/24/09/99/604240999.db2.gz	JRTDECPHSRVTRE-LBPRGKRZSA-N	-2	0	368.374	3.056	20	30		FGEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000179026016	604398684	/nfs/dbraw/zinc/39/86/84/604398684.db2.gz	UQHIPQIODKACHJ-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000833741973	605127397	/nfs/dbraw/zinc/12/73/97/605127397.db2.gz	YCURNIGKZRDIAU-UHFFFAOYSA-N	-2	0	356.812	3.081	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1Cl	ZINC000156264132	705108537	/nfs/dbraw/zinc/10/85/37/705108537.db2.gz	FFUOOCJCNVFYAL-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1Cl	ZINC000758929139	722996933	/nfs/dbraw/zinc/99/69/33/722996933.db2.gz	AWUQSWSALSJWGE-HWKANZROSA-N	-2	0	374.702	3.392	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1	ZINC000391193836	499556538	/nfs/dbraw/zinc/55/65/38/499556538.db2.gz	UCAZHHAIFDZROX-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
C[C@@H](Oc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794854618	602065527	/nfs/dbraw/zinc/06/55/27/602065527.db2.gz	JOQIIJDSHYZULD-SNVBAGLBSA-N	-2	0	362.769	3.336	20	30		FGEDRL
N#Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])ccc1Cl	ZINC000740313194	602652721	/nfs/dbraw/zinc/65/27/21/602652721.db2.gz	KKMGVQMPQHNBGG-UHFFFAOYSA-N	-2	0	351.771	3.102	20	30		FGEDRL
CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1	ZINC000833685387	605596626	/nfs/dbraw/zinc/59/66/26/605596626.db2.gz	MCALUDDIKAXAIN-UHFFFAOYSA-N	-2	0	365.798	3.127	20	30		FGEDRL
CSc1[n-]c(=O)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1C#N	ZINC000769247944	723680664	/nfs/dbraw/zinc/68/06/64/723680664.db2.gz	ABPHNETZWNYEIG-UHFFFAOYSA-N	-2	0	358.404	3.063	20	30		FGEDRL
Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1Cl	ZINC000806558497	725133232	/nfs/dbraw/zinc/13/32/32/725133232.db2.gz	DYKQBLQHBFXVCE-PLNGDYQASA-N	-2	0	374.702	3.392	20	30		FGEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-]	ZINC000184901982	496578165	/nfs/dbraw/zinc/57/81/65/496578165.db2.gz	ADQDYDVXTBEXPZ-CQSZACIVSA-N	-2	0	358.419	3.012	20	30		FGEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C(=O)[O-]	ZINC000391191543	499556747	/nfs/dbraw/zinc/55/67/47/499556747.db2.gz	RSBDQAVWBAWWPR-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1	ZINC000392516042	499558789	/nfs/dbraw/zinc/55/87/89/499558789.db2.gz	RSXGXYPEYCLHFU-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C	ZINC000410395938	499660032	/nfs/dbraw/zinc/66/00/32/499660032.db2.gz	FFYXGWJWGHUXDA-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000479509036	502281167	/nfs/dbraw/zinc/28/11/67/502281167.db2.gz	HOZDAANMJQQMJN-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1	ZINC000512786336	503631388	/nfs/dbraw/zinc/63/13/88/503631388.db2.gz	YWXNGWVHZXPRPJ-UHFFFAOYSA-N	-2	0	365.382	3.198	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1	ZINC000736094521	600099049	/nfs/dbraw/zinc/09/90/49/600099049.db2.gz	JJWYFANYHZASJL-UHFFFAOYSA-N	-2	0	365.407	3.350	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c(F)c1	ZINC000739130195	600543278	/nfs/dbraw/zinc/54/32/78/600543278.db2.gz	NHUYRHVPDOXUSE-UHFFFAOYSA-N	-2	0	370.361	3.350	20	30		FGEDRL
O=C([O-])COc1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000739833891	600567634	/nfs/dbraw/zinc/56/76/34/600567634.db2.gz	ZTVCYKMLNBIXGC-LSCVHKIXSA-N	-2	0	364.741	3.036	20	30		FGEDRL
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Cc2ccccc2)ccc1[O-]	ZINC000436724881	501197647	/nfs/dbraw/zinc/19/76/47/501197647.db2.gz	VLDCILQSJQCKLO-UHFFFAOYSA-N	-2	0	358.401	3.129	20	30		FGEDRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000484566053	502671598	/nfs/dbraw/zinc/67/15/98/502671598.db2.gz	DIFSYUBVOULWJL-UHFFFAOYSA-N	-2	0	362.432	3.088	20	30		FGEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000484983102	502792534	/nfs/dbraw/zinc/79/25/34/502792534.db2.gz	BKHXIFGLAGTOQG-UHFFFAOYSA-N	-2	0	374.418	3.155	20	30		FGEDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000548212253	504369156	/nfs/dbraw/zinc/36/91/56/504369156.db2.gz	QLVYBFFCTNVWGF-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
C#Cc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1	ZINC000324830755	600052442	/nfs/dbraw/zinc/05/24/42/600052442.db2.gz	VCFZTHPOVFXMNI-UHFFFAOYSA-N	-2	0	357.412	3.382	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cc1Cl	ZINC000740321296	602653409	/nfs/dbraw/zinc/65/34/09/602653409.db2.gz	FPTMBJDXCNJNDD-UHFFFAOYSA-N	-2	0	351.771	3.102	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794702262	604988657	/nfs/dbraw/zinc/98/86/57/604988657.db2.gz	NFVYUTOFXBQTAX-SOZJPDODSA-N	-2	0	357.318	3.048	20	30		FGEDRL
O=C([O-])C(=O)/C(=C\c1cc(C(=O)[O-])cs1)c1ccc2ccccc2n1	ZINC000782199077	724637116	/nfs/dbraw/zinc/63/71/16/724637116.db2.gz	DGTGNHNASBWFLU-JYRVWZFOSA-N	-2	0	353.355	3.189	20	30		FGEDRL
Cn1cc(-c2ccc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3[O-])s2)cn1	ZINC000800794852	724228624	/nfs/dbraw/zinc/22/86/24/724228624.db2.gz	RPNHLXIWTZRSHU-UTCJRWHESA-N	-2	0	354.387	3.449	20	30		FGEDRL
Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C(=O)[O-]	ZINC000321208996	498812228	/nfs/dbraw/zinc/81/22/28/498812228.db2.gz	WGZHMRQYVHQGFO-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(=O)[O-]	ZINC000435486891	500984710	/nfs/dbraw/zinc/98/47/10/500984710.db2.gz	LYGMCOOOXBSYQN-LBPRGKRZSA-N	-2	0	364.448	3.074	20	30		FGEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000435696398	501013417	/nfs/dbraw/zinc/01/34/17/501013417.db2.gz	JHYXKVICQVTCEC-UHFFFAOYSA-N	-2	0	374.418	3.155	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1C#N	ZINC000484953580	502786040	/nfs/dbraw/zinc/78/60/40/502786040.db2.gz	CTOPZKPQYSPAAD-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1F	ZINC000548592048	504487152	/nfs/dbraw/zinc/48/71/52/504487152.db2.gz	LFQUWAJSHPIOLB-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)CC2	ZINC000832852587	602110081	/nfs/dbraw/zinc/11/00/81/602110081.db2.gz	BHUDNUSINSDWMH-KWJWQAOWSA-N	-2	0	370.357	3.351	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc(-c2ccncc2)cs1	ZINC000831064596	604240886	/nfs/dbraw/zinc/24/08/86/604240886.db2.gz	JRTDECPHSRVTRE-GFCCVEGCSA-N	-2	0	368.374	3.056	20	30		FGEDRL
Cc1sc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1C	ZINC000833758393	605022623	/nfs/dbraw/zinc/02/26/23/605022623.db2.gz	VMDJIOUOOJSWNP-UHFFFAOYSA-N	-2	0	370.839	3.389	20	30		FGEDRL
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000254394106	713675609	/nfs/dbraw/zinc/67/56/09/713675609.db2.gz	AXFNQPJQJXSHGO-UHFFFAOYSA-N	-2	0	365.729	3.107	20	30		FGEDRL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F	ZINC000548263054	504377690	/nfs/dbraw/zinc/37/76/90/504377690.db2.gz	OTFVEUQIUYHWDY-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccsc2C#N)cc1)C(=O)[O-]	ZINC000593210751	506467618	/nfs/dbraw/zinc/46/76/18/506467618.db2.gz	MMSMPSYPNDFTHC-LBPRGKRZSA-N	-2	0	364.448	3.074	20	30		FGEDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)o1	ZINC000740187703	599736936	/nfs/dbraw/zinc/73/69/36/599736936.db2.gz	PFUUTSFOYSDDJX-UHFFFAOYSA-N	-2	0	367.382	3.178	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1	ZINC000825647043	601232532	/nfs/dbraw/zinc/23/25/32/601232532.db2.gz	CHKNNQWAZGJHTL-UHFFFAOYSA-N	-2	0	351.380	3.042	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1Cl	ZINC000156286353	705109005	/nfs/dbraw/zinc/10/90/05/705109005.db2.gz	GAASNKMHXUQMOY-UHFFFAOYSA-N	-2	0	364.810	3.214	20	30		FGEDRL
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1C#N	ZINC000578802656	506023890	/nfs/dbraw/zinc/02/38/90/506023890.db2.gz	NVZJUSIQIWNORG-UHFFFAOYSA-N	-2	0	353.762	3.131	20	30		FGEDRL
CC(C)c1cnc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)n1C	ZINC000827140077	601348237	/nfs/dbraw/zinc/34/82/37/601348237.db2.gz	XWTKELPIGFIWRN-UHFFFAOYSA-N	-2	0	372.450	3.039	20	30		FGEDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000321148488	498812656	/nfs/dbraw/zinc/81/26/56/498812656.db2.gz	GICAFMGFXIUGFA-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000321248996	498812747	/nfs/dbraw/zinc/81/27/47/498812747.db2.gz	JUXXIFZKFKJRAP-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000614326066	507461511	/nfs/dbraw/zinc/46/15/11/507461511.db2.gz	RRSQPOJHBRRAQH-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000736094311	600098896	/nfs/dbraw/zinc/09/88/96/600098896.db2.gz	BCUWSTFWBXRIBY-UHFFFAOYSA-N	-2	0	353.421	3.202	20	30		FGEDRL
Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc(C)c1OCC(=O)[O-]	ZINC000832881904	601826058	/nfs/dbraw/zinc/82/60/58/601826058.db2.gz	WDCXSNVOSGHQTC-HWKANZROSA-N	-3	0	370.357	3.067	20	30		FGEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cc(O)ccc2Br)c1	ZINC000769769665	723694709	/nfs/dbraw/zinc/69/47/09/723694709.db2.gz	BZDXHJZLWIROCD-KTAJNNJTSA-N	-2	0	363.163	3.455	20	30		FGEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1)C(=O)[O-]	ZINC000184904564	496579252	/nfs/dbraw/zinc/57/92/52/496579252.db2.gz	DWUOVGIDVXSERO-OAHLLOKOSA-N	-2	0	372.446	3.321	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1	ZINC000467750315	501859614	/nfs/dbraw/zinc/85/96/14/501859614.db2.gz	XKQKSPNKILEERM-UHFFFAOYSA-N	-2	0	351.380	3.042	20	30		FGEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000485084853	502813970	/nfs/dbraw/zinc/81/39/70/502813970.db2.gz	JPJUHVCBFAVRGF-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
C[C@H](Oc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1)C(=O)[O-]	ZINC000746677540	722614304	/nfs/dbraw/zinc/61/43/04/722614304.db2.gz	YIZFIQURIKITGE-JTQLQIEISA-N	-2	0	362.769	3.336	20	30		FGEDRL
CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000435485734	500984575	/nfs/dbraw/zinc/98/45/75/500984575.db2.gz	YAYQSKLPZYXYHJ-UHFFFAOYSA-N	-2	0	350.421	3.071	20	30		FGEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000614325682	507460869	/nfs/dbraw/zinc/46/08/69/507460869.db2.gz	DGYPITIRNYWCHO-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)n1	ZINC000614364006	507479437	/nfs/dbraw/zinc/47/94/37/507479437.db2.gz	RVEWCWKBCBPZEK-UHFFFAOYSA-N	-2	0	360.373	3.241	20	30		FGEDRL
O=C([O-])CCOc1cccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000833775154	605157892	/nfs/dbraw/zinc/15/78/92/605157892.db2.gz	ZCMUYZCOLNANRY-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(O)c(Br)c2)c([O-])c1	ZINC000806558958	725133358	/nfs/dbraw/zinc/13/33/58/725133358.db2.gz	QLEGQZHVSCPHTL-ORCRQEGFSA-N	-2	0	363.163	3.455	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC000547865855	504253409	/nfs/dbraw/zinc/25/34/09/504253409.db2.gz	UCKRENWMTVYSTI-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000740035335	602926963	/nfs/dbraw/zinc/92/69/63/602926963.db2.gz	QWDFSGNCBMLQHC-CYBMUJFWSA-N	-2	0	355.394	3.194	20	30		FGEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000833914229	605972555	/nfs/dbraw/zinc/97/25/55/605972555.db2.gz	SVHYCVZSCCOJOD-SECBINFHSA-N	-2	0	355.379	3.216	20	30		FGEDRL
Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c1C#N	ZINC000436921053	501233148	/nfs/dbraw/zinc/23/31/48/501233148.db2.gz	RJMVNYARYLEHIH-UHFFFAOYSA-N	-2	0	352.781	3.290	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000489748241	503024238	/nfs/dbraw/zinc/02/42/38/503024238.db2.gz	SIQLULHOSUUFMO-UHFFFAOYSA-N	-2	0	367.810	3.404	20	30		FGEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000547414853	504095906	/nfs/dbraw/zinc/09/59/06/504095906.db2.gz	QXOLTNSCRYGZQQ-UHFFFAOYSA-N	-2	0	374.418	3.189	20	30		FGEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000532405817	504638103	/nfs/dbraw/zinc/63/81/03/504638103.db2.gz	BSPKRNIJQDFBFK-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1	ZINC000589439130	506549482	/nfs/dbraw/zinc/54/94/82/506549482.db2.gz	QIGMNGRAYVXOCZ-UHFFFAOYSA-N	-2	0	353.421	3.202	20	30		FGEDRL
O=C([O-])c1ccc(OCC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000740165326	599887016	/nfs/dbraw/zinc/88/70/16/599887016.db2.gz	MTAIDJIEZDZJMU-NVMNQCDNSA-N	-2	0	364.741	3.150	20	30		FGEDRL
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000154288372	495569009	/nfs/dbraw/zinc/56/90/09/495569009.db2.gz	QKPZTWBFQHKUGX-UHFFFAOYSA-N	-2	0	370.308	3.076	20	30		FGEDRL
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1	ZINC000516771889	503583606	/nfs/dbraw/zinc/58/36/06/503583606.db2.gz	CVAVLLYFYNWMPO-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
COCc1ccc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)cc1	ZINC000831817379	601348566	/nfs/dbraw/zinc/34/85/66/601348566.db2.gz	LWMFYXSOGMOOMO-UHFFFAOYSA-N	-2	0	370.430	3.328	20	30		FGEDRL
CC[C@@H](/N=C/c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000818261487	601498771	/nfs/dbraw/zinc/49/87/71/601498771.db2.gz	LGWVCUCTXPDCLU-SVOHMGGZSA-N	-2	0	365.021	3.199	20	30		FGEDRL
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000829828495	604214303	/nfs/dbraw/zinc/21/43/03/604214303.db2.gz	SUPKGZBGOGKCCX-ZDUSSCGKSA-N	-2	0	365.345	3.042	20	30		FGEDRL
Cc1c2cc(C(C)N=Nc3ccc(C(=O)[O-])cn3)cnc2sc1C(=O)[O-]	ZINC000833386685	605026887	/nfs/dbraw/zinc/02/68/87/605026887.db2.gz	SMCSJFMBADRCLI-UHFFFAOYSA-N	-2	0	370.390	3.232	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC000833378993	605248070	/nfs/dbraw/zinc/24/80/70/605248070.db2.gz	SPTHXHPFLSOXAA-UHFFFAOYSA-N	-2	0	369.345	3.029	20	30		FGEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1	ZINC000833371386	605419490	/nfs/dbraw/zinc/41/94/90/605419490.db2.gz	ZZUHLQPZFFZHJF-UHFFFAOYSA-N	-2	0	365.407	3.296	20	30		FGEDRL
O=C([O-])C(=O)/C(=C/c1cc(C(=O)[O-])cs1)c1ccc2ccccc2n1	ZINC000782199084	724637080	/nfs/dbraw/zinc/63/70/80/724637080.db2.gz	DGTGNHNASBWFLU-MDWZMJQESA-N	-2	0	353.355	3.189	20	30		FGEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)s1	ZINC000730729092	722470234	/nfs/dbraw/zinc/47/02/34/722470234.db2.gz	DCJPFKSVHMXEOF-ZZXKWVIFSA-N	-2	0	368.313	3.399	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1C#N	ZINC000137339381	495437451	/nfs/dbraw/zinc/43/74/51/495437451.db2.gz	CUHOOKWBTXKDJX-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000154288255	495569706	/nfs/dbraw/zinc/56/97/06/495569706.db2.gz	WUJYMVZLLZAXRQ-UHFFFAOYSA-N	-2	0	370.308	3.076	20	30		FGEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000323617872	498821707	/nfs/dbraw/zinc/82/17/07/498821707.db2.gz	MNHXFQPYWPWVAA-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000740630388	603370452	/nfs/dbraw/zinc/37/04/52/603370452.db2.gz	VKONINABIFZCOT-NSAZLARMSA-N	-2	0	355.778	3.199	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000794704190	604743431	/nfs/dbraw/zinc/74/34/31/604743431.db2.gz	YBSPSAVJGWHNEK-LAUIRUGDSA-N	-2	0	357.318	3.048	20	30		FGEDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000156279331	705109298	/nfs/dbraw/zinc/10/92/98/705109298.db2.gz	HRWZASVHAACPDB-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1F	ZINC000749141200	722717521	/nfs/dbraw/zinc/71/75/21/722717521.db2.gz	BCVHMLOQTHGPPQ-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1Cl	ZINC000758929140	722996912	/nfs/dbraw/zinc/99/69/12/722996912.db2.gz	AWUQSWSALSJWGE-HYXAFXHYSA-N	-2	0	374.702	3.392	20	30		FGEDRL
Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cccc1C(=O)[O-]	ZINC000391169732	499556550	/nfs/dbraw/zinc/55/65/50/499556550.db2.gz	FLIKGFLGEZKZMY-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(OCc2ccccc2)ccc1[O-]	ZINC000436720272	501196643	/nfs/dbraw/zinc/19/66/43/501196643.db2.gz	DCKYHFCRIKIAPS-UHFFFAOYSA-N	-2	0	374.400	3.118	20	30		FGEDRL
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000560492744	505102983	/nfs/dbraw/zinc/10/29/83/505102983.db2.gz	AZZDBSAADBMULD-MRVPVSSYSA-N	-2	0	372.657	3.345	20	30		FGEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccsc2C#N)cc1)C(=O)[O-]	ZINC000593210749	506468000	/nfs/dbraw/zinc/46/80/00/506468000.db2.gz	MMSMPSYPNDFTHC-GFCCVEGCSA-N	-2	0	364.448	3.074	20	30		FGEDRL
N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1	ZINC000109417512	601834079	/nfs/dbraw/zinc/83/40/79/601834079.db2.gz	WPZKWLSMTFYSRB-UHFFFAOYSA-N	-2	0	368.773	3.044	20	30		FGEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cc(O)ccc2Br)c1	ZINC000769769672	723694668	/nfs/dbraw/zinc/69/46/68/723694668.db2.gz	BZDXHJZLWIROCD-ORCRQEGFSA-N	-2	0	363.163	3.455	20	30		FGEDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000177990369	496278080	/nfs/dbraw/zinc/27/80/80/496278080.db2.gz	YMKBDYVLJHFSKP-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl	ZINC000322652144	498818074	/nfs/dbraw/zinc/81/80/74/498818074.db2.gz	ADXTYCPANKRFGL-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
C[C@@H](C/N=C/c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000736586544	599762441	/nfs/dbraw/zinc/76/24/41/599762441.db2.gz	NJEXPJCIKIJYEE-JHKKWMAKSA-N	-2	0	365.021	3.057	20	30		FGEDRL
C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736202409	599838420	/nfs/dbraw/zinc/83/84/20/599838420.db2.gz	NISRGMCRELGTRA-JTQLQIEISA-N	-2	0	366.420	3.030	20	30		FGEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl	ZINC000178955336	705682707	/nfs/dbraw/zinc/68/27/07/705682707.db2.gz	YOIPFIOHXWFQBP-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Cl	ZINC000323887953	498823298	/nfs/dbraw/zinc/82/32/98/498823298.db2.gz	FFEMMAKDGBVKRP-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1C(=O)[O-]	ZINC000410395969	499660024	/nfs/dbraw/zinc/66/00/24/499660024.db2.gz	FNCMVENGIPPVHY-UHFFFAOYSA-N	-2	0	374.418	3.039	20	30		FGEDRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435477538	500983987	/nfs/dbraw/zinc/98/39/87/500983987.db2.gz	BJNQJBCDTWHGCA-UHFFFAOYSA-N	-2	0	350.421	3.242	20	30		FGEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(=O)[O-]	ZINC000435486890	500984297	/nfs/dbraw/zinc/98/42/97/500984297.db2.gz	LYGMCOOOXBSYQN-GFCCVEGCSA-N	-2	0	364.448	3.074	20	30		FGEDRL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000736515157	600544706	/nfs/dbraw/zinc/54/47/06/600544706.db2.gz	KQEZHQAYPAGMKY-UHFFFAOYSA-N	-2	0	362.382	3.320	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000794702611	602109525	/nfs/dbraw/zinc/10/95/25/602109525.db2.gz	ZZIZUZFOGKHYGJ-ASJRZHAZSA-N	-2	0	354.358	3.062	20	30		FGEDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1	ZINC000156279469	496204799	/nfs/dbraw/zinc/20/47/99/496204799.db2.gz	ZNYUWXMTHIOKGL-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1C#N	ZINC000178613750	496517228	/nfs/dbraw/zinc/51/72/28/496517228.db2.gz	WQAZOXPLOMVIDV-UHFFFAOYSA-N	-2	0	358.419	3.030	20	30		FGEDRL
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1	ZINC000327346706	498855230	/nfs/dbraw/zinc/85/52/30/498855230.db2.gz	PWFWQHJDSKTVAE-UHFFFAOYSA-N	-2	0	362.382	3.126	20	30		FGEDRL
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000436721537	501197171	/nfs/dbraw/zinc/19/71/71/501197171.db2.gz	ISQONIWDRMADQK-UHFFFAOYSA-N	-2	0	352.781	3.345	20	30		FGEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475810512	502297515	/nfs/dbraw/zinc/29/75/15/502297515.db2.gz	JRZSRTIAKLTQBV-UHFFFAOYSA-N	-2	0	374.418	3.040	20	30		FGEDRL
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000484970152	502789741	/nfs/dbraw/zinc/78/97/41/502789741.db2.gz	FSYMUKUGASJZRC-UHFFFAOYSA-N	-2	0	374.418	3.153	20	30		FGEDRL
Cc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc(C)c1OCC(=O)[O-]	ZINC000738379823	600033636	/nfs/dbraw/zinc/03/36/36/600033636.db2.gz	SXXNEDPNZLBHDS-ONEGZZNKSA-N	-2	0	360.387	3.423	20	30		FGEDRL
O=C([O-])N[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000740540572	603370689	/nfs/dbraw/zinc/37/06/89/603370689.db2.gz	SABPMCAKHUNZHB-VFJJTOLMSA-N	-2	0	363.757	3.382	20	30		FGEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000120324782	495351784	/nfs/dbraw/zinc/35/17/84/495351784.db2.gz	DHEKTURVWBSBTI-UHFFFAOYSA-N	-2	0	370.308	3.076	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000327780336	498862458	/nfs/dbraw/zinc/86/24/58/498862458.db2.gz	XHJDBEKOVCZWEN-UHFFFAOYSA-N	-2	0	358.419	3.295	20	30		FGEDRL
Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C(=O)[O-]	ZINC000391041352	499556585	/nfs/dbraw/zinc/55/65/85/499556585.db2.gz	CABDUAJYOWAERK-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CC[C@@H](/N=C\c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000818261497	601498819	/nfs/dbraw/zinc/49/88/19/601498819.db2.gz	LGWVCUCTXPDCLU-YZJXFOOCSA-N	-2	0	365.021	3.199	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000783700200	724779827	/nfs/dbraw/zinc/77/98/27/724779827.db2.gz	QSSMQWKXFJFAAJ-VOTSOKGWSA-N	-2	0	360.749	3.398	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821177335	729066188	/nfs/dbraw/zinc/06/61/88/729066188.db2.gz	ATLBBIPNRCWCMH-UHFFFAOYSA-N	-2	0	370.402	3.477	20	30		FGEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)[O-]	ZINC000177990620	496278541	/nfs/dbraw/zinc/27/85/41/496278541.db2.gz	QEXCGMKAJYFGES-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000739075439	599839604	/nfs/dbraw/zinc/83/96/04/599839604.db2.gz	FVLYDCGVGWDFDZ-UHFFFAOYSA-N	-2	0	368.461	3.253	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000736114294	600233321	/nfs/dbraw/zinc/23/33/21/600233321.db2.gz	ROJFECWWEIKXAI-UHFFFAOYSA-N	-2	0	369.345	3.029	20	30		FGEDRL
O=C([O-])N[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000740540571	603370754	/nfs/dbraw/zinc/37/07/54/603370754.db2.gz	SABPMCAKHUNZHB-NACCWKTGSA-N	-2	0	363.757	3.382	20	30		FGEDRL
O=C([O-])COc1cccc(C(=O)/C=C/c2cccc3c2N(C(=O)[O-])CC3)c1	ZINC000831815819	603812574	/nfs/dbraw/zinc/81/25/74/603812574.db2.gz	SCECQBCSELJABW-BQYQJAHWSA-N	-2	0	367.357	3.087	20	30		FGEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000179026339	604398663	/nfs/dbraw/zinc/39/86/63/604398663.db2.gz	QJPBZWYOKZPDAT-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
C[C@H](Oc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-]	ZINC000794704192	604743510	/nfs/dbraw/zinc/74/35/10/604743510.db2.gz	YBSPSAVJGWHNEK-OHYQPGSNSA-N	-2	0	357.318	3.048	20	30		FGEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)s1	ZINC000730729090	722470209	/nfs/dbraw/zinc/47/02/09/722470209.db2.gz	DCJPFKSVHMXEOF-UTCJRWHESA-N	-2	0	368.313	3.399	20	30		FGEDRL
COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1[O-]	ZINC000757472508	722976552	/nfs/dbraw/zinc/97/65/52/722976552.db2.gz	JPUPNVSJHCWBGB-NSCUHMNNSA-N	-2	0	351.261	3.189	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(Cl)c1	ZINC000391180950	499556545	/nfs/dbraw/zinc/55/65/45/499556545.db2.gz	LZUMHGOKWDUNGO-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000548197507	504366426	/nfs/dbraw/zinc/36/64/26/504366426.db2.gz	FEDSXMPKSWTJFJ-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
N#CCc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1	ZINC000327134841	600052516	/nfs/dbraw/zinc/05/25/16/600052516.db2.gz	UBQWPPRQVKQZNI-UHFFFAOYSA-N	-2	0	372.427	3.466	20	30		FGEDRL
N#CC(=C([O-])c1ccc(C(=O)[O-])s1)c1nc(-c2ccncc2)cs1	ZINC000739073155	600460021	/nfs/dbraw/zinc/46/00/21/600460021.db2.gz	BSVACTQUWGIBEJ-SNVBAGLBSA-N	-2	0	355.400	3.455	20	30		FGEDRL
O=C([O-])N[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000740540570	603370732	/nfs/dbraw/zinc/37/07/32/603370732.db2.gz	SABPMCAKHUNZHB-KURMNSRBSA-N	-2	0	363.757	3.382	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2n1C(F)F	ZINC000831064081	604224699	/nfs/dbraw/zinc/22/46/99/604224699.db2.gz	BQECRBBPYHXXQE-SNVBAGLBSA-N	-2	0	374.303	3.282	20	30		FGEDRL
C[C@H](Oc1cccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)c1)C(=O)[O-]	ZINC000833538737	605156636	/nfs/dbraw/zinc/15/66/36/605156636.db2.gz	HEMJGHHGHKABRL-JTQLQIEISA-N	-2	0	362.769	3.336	20	30		FGEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1Cl	ZINC000178956794	705682888	/nfs/dbraw/zinc/68/28/88/705682888.db2.gz	REWHANWJBYGNSJ-UHFFFAOYSA-N	-2	0	364.810	3.328	20	30		FGEDRL
Cn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c(-c2cccs2)n1	ZINC000769610521	723690695	/nfs/dbraw/zinc/69/06/95/723690695.db2.gz	SBMLZKQVGJHURH-ALCCZGGFSA-N	-2	0	354.387	3.449	20	30		FGEDRL
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000446621692	501143312	/nfs/dbraw/zinc/14/33/12/501143312.db2.gz	BIVAXPCIKHOMPO-UHFFFAOYSA-N	-2	0	364.448	3.416	20	30		FGEDRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000542233139	504415544	/nfs/dbraw/zinc/41/55/44/504415544.db2.gz	GMSPHTJUSRNXSR-NSHDSACASA-N	-2	0	362.382	3.076	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc2cc(F)ccc2s1	ZINC000831066350	603439143	/nfs/dbraw/zinc/43/91/43/603439143.db2.gz	WAJRIRHWRDJNAV-JTQLQIEISA-N	-2	0	359.338	3.286	20	30		FGEDRL
N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2cc(Cl)ccc2s1	ZINC000833960447	606013032	/nfs/dbraw/zinc/01/30/32/606013032.db2.gz	IZBPHIOEVQQXOH-MRVPVSSYSA-N	-2	0	373.781	3.320	20	30		FGEDRL
COc1cc(/C=C\C(=O)c2cc(Cl)ccc2[O-])ccc1OCC(=O)[O-]	ZINC000757466910	722976451	/nfs/dbraw/zinc/97/64/51/722976451.db2.gz	ANWFBEFOHQGKDS-DJWKRKHSSA-N	-2	0	362.765	3.414	20	30		FGEDRL
COc1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)ccc1OCC(=O)[O-]	ZINC000768759077	723666554	/nfs/dbraw/zinc/66/65/54/723666554.db2.gz	XEEROHFFFXGJDQ-DJWKRKHSSA-N	-2	0	362.765	3.414	20	30		FGEDRL
Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1Cl	ZINC000806558498	725133366	/nfs/dbraw/zinc/13/33/66/725133366.db2.gz	DYKQBLQHBFXVCE-SNAWJCMRSA-N	-2	0	374.702	3.392	20	30		FGEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435501334	500985991	/nfs/dbraw/zinc/98/59/91/500985991.db2.gz	KZNIFBJWTKGFBT-UHFFFAOYSA-N	-2	0	356.812	3.081	20	30		FGEDRL
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-]	ZINC000832859850	601499767	/nfs/dbraw/zinc/49/97/67/601499767.db2.gz	ZNTWFFKIEUVJDG-CQSZACIVSA-N	-2	0	364.357	3.398	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2n1C(F)F	ZINC000831064056	604224644	/nfs/dbraw/zinc/22/46/44/604224644.db2.gz	BQECRBBPYHXXQE-JTQLQIEISA-N	-2	0	374.303	3.282	20	30		FGEDRL
O=C([O-])CCOc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000746676583	722614412	/nfs/dbraw/zinc/61/44/12/722614412.db2.gz	FKRMFNZKHNWJOW-UHFFFAOYSA-N	-2	0	362.769	3.338	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(Cl)c1	ZINC000322209786	498816499	/nfs/dbraw/zinc/81/64/99/498816499.db2.gz	VGENSAAEQMWWQZ-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000776485030	724150265	/nfs/dbraw/zinc/15/02/65/724150265.db2.gz	RARYQYSPZFOTLV-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
N#CC(=C([O-])c1ccc(CNC(=O)[O-])o1)c1nc2cc(F)ccc2s1	ZINC000831066351	603439177	/nfs/dbraw/zinc/43/91/77/603439177.db2.gz	WAJRIRHWRDJNAV-SNVBAGLBSA-N	-2	0	359.338	3.286	20	30		FGEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000619546529	714850661	/nfs/dbraw/zinc/85/06/61/714850661.db2.gz	AZGRVUORTQFFIX-UHFFFAOYSA-N	-2	0	356.812	3.081	20	30		FGEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(O)c(Br)c2)c([O-])c1	ZINC000806558957	725133305	/nfs/dbraw/zinc/13/33/05/725133305.db2.gz	QLEGQZHVSCPHTL-KTAJNNJTSA-N	-2	0	363.163	3.455	20	30		FGEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000177990584	496278568	/nfs/dbraw/zinc/27/85/68/496278568.db2.gz	NPARADZMFXGMJG-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000730729653	722470213	/nfs/dbraw/zinc/47/02/13/722470213.db2.gz	LINCRBLFSPOARF-CLTKARDFSA-N	-2	0	352.264	3.484	20	30		FGEDRL
Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1C(=O)[O-]	ZINC000548526154	504478571	/nfs/dbraw/zinc/47/85/71/504478571.db2.gz	UMFBCMZJAKTSCK-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1nc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)sc1C	ZINC000738869147	600992322	/nfs/dbraw/zinc/99/23/22/600992322.db2.gz	RNXLNTHTNYIWAC-UHFFFAOYSA-N	-2	0	361.448	3.255	20	30		FGEDRL
Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cccc1C(=O)[O-]	ZINC000177990657	496278553	/nfs/dbraw/zinc/27/85/53/496278553.db2.gz	BTFMYPSBFVYJPM-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000322149719	498816070	/nfs/dbraw/zinc/81/60/70/498816070.db2.gz	KCWNCCSLFWSENW-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000543729517	503869694	/nfs/dbraw/zinc/86/96/94/503869694.db2.gz	QJAJFJMRKQXJMT-UHFFFAOYSA-N	-2	0	364.810	3.273	20	30		FGEDRL
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547934315	504265300	/nfs/dbraw/zinc/26/53/00/504265300.db2.gz	MOYGLMMEISONGN-UHFFFAOYSA-N	-2	0	364.810	3.273	20	30		FGEDRL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F	ZINC000555457011	505435632	/nfs/dbraw/zinc/43/56/32/505435632.db2.gz	BYBQZYRLIIVMKT-UHFFFAOYSA-N	-2	0	368.773	3.158	20	30		FGEDRL
O=C([O-])COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000833254372	604790898	/nfs/dbraw/zinc/79/08/98/604790898.db2.gz	KYPTYBQAJMARKE-UHFFFAOYSA-N	-2	0	350.714	3.168	20	30		FGEDRL
C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000794702238	604988663	/nfs/dbraw/zinc/98/86/63/604988663.db2.gz	NFVYUTOFXBQTAX-LAUIRUGDSA-N	-2	0	357.318	3.048	20	30		FGEDRL
[O-]c1cc(Cl)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1Cl	ZINC000758095206	722984159	/nfs/dbraw/zinc/98/41/59/722984159.db2.gz	IZPDDXYFQIKNSK-UHFFFAOYSA-N	-2	0	357.144	3.480	20	30		FGEDRL
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1	ZINC000753774671	722912497	/nfs/dbraw/zinc/91/24/97/722912497.db2.gz	MKOLESSLGCGBKR-UHFFFAOYSA-N	-2	0	365.382	3.198	20	30		FGEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1	ZINC000321869356	498815710	/nfs/dbraw/zinc/81/57/10/498815710.db2.gz	ODCFAKPHEHNBLM-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000475733617	502271145	/nfs/dbraw/zinc/27/11/45/502271145.db2.gz	LZTFFBWVPKDVOM-UHFFFAOYSA-N	-2	0	350.783	3.019	20	30		FGEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000484978008	502790622	/nfs/dbraw/zinc/79/06/22/502790622.db2.gz	ZCBAWXCYJPAYAY-UHFFFAOYSA-N	-2	0	374.418	3.155	20	30		FGEDRL
CC[C@H](/N=C\c1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000828900836	601498580	/nfs/dbraw/zinc/49/85/80/601498580.db2.gz	LGWVCUCTXPDCLU-HXNQLNRQSA-N	-2	0	365.021	3.199	20	30		FGEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000739093346	600257648	/nfs/dbraw/zinc/25/76/48/600257648.db2.gz	PJRMFIRUZLLUQD-UHFFFAOYSA-N	-2	0	371.201	3.364	20	30		FGEDRL