smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000283867618	551440893	/nfs/dbraw/zinc/44/08/93/551440893.db2.gz	INXSHRWIEMOMPS-RNCFNFMXSA-N	-2	3	374.846	2.147	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F	ZINC000285130198	551708947	/nfs/dbraw/zinc/70/89/47/551708947.db2.gz	NOEHKFUSKLOUEL-SECBINFHSA-N	-2	3	368.308	2.019	20	30		FEEDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000297316607	553277450	/nfs/dbraw/zinc/27/74/50/553277450.db2.gz	WPZGESSHNLYSDV-SNVBAGLBSA-N	-2	3	364.345	2.499	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1	ZINC000326342260	553780113	/nfs/dbraw/zinc/78/01/13/553780113.db2.gz	LGWLKLAUMWPHDV-ZDUSSCGKSA-N	-2	3	364.810	2.358	20	30		FEEDHL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000513408976	561937346	/nfs/dbraw/zinc/93/73/46/561937346.db2.gz	RCYMKGIDLNRZFF-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000534065623	562524626	/nfs/dbraw/zinc/52/46/26/562524626.db2.gz	BHRGOCOGBWUNIW-CQSZACIVSA-N	-2	3	364.810	2.186	20	30		FEEDHL
COC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[O-]	ZINC000831210108	600733474	/nfs/dbraw/zinc/73/34/74/600733474.db2.gz	LTHOXWLCWWHRAL-OAHLLOKOSA-N	-2	3	370.317	2.425	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1CC(=O)[O-]	ZINC000821770164	606388856	/nfs/dbraw/zinc/38/88/56/606388856.db2.gz	PZQMJOGVQDDSCU-HYXAFXHYSA-N	-2	3	370.390	2.460	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1CC(=O)[O-]	ZINC000826187593	607884355	/nfs/dbraw/zinc/88/43/55/607884355.db2.gz	XKYMQCFVOJBIFO-SOFGYWHQSA-N	-2	3	364.361	2.399	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1CC(=O)[O-]	ZINC000826187593	607884356	/nfs/dbraw/zinc/88/43/56/607884356.db2.gz	XKYMQCFVOJBIFO-SOFGYWHQSA-N	-2	3	364.361	2.399	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1	ZINC000826461186	609132795	/nfs/dbraw/zinc/13/27/95/609132795.db2.gz	JSWFAKXXHHXGOE-DAXSKMNVSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1	ZINC000826461186	609132796	/nfs/dbraw/zinc/13/27/96/609132796.db2.gz	JSWFAKXXHHXGOE-DAXSKMNVSA-N	-2	3	368.324	2.365	20	30		FEEDHL
C=CC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000871871356	684870028	/nfs/dbraw/zinc/87/00/28/684870028.db2.gz	CUIPISINDNVVHO-ZCFIWIBFSA-N	-2	3	354.247	2.452	20	30		FEEDHL
C=CCCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000903058434	690839905	/nfs/dbraw/zinc/83/99/05/690839905.db2.gz	GTWADYYDQGVBBN-JTQLQIEISA-N	-2	3	352.334	2.188	20	30		FEEDHL
C=CCCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000903059777	690840035	/nfs/dbraw/zinc/84/00/35/690840035.db2.gz	VDJQFDWTUSLGIH-VIFPVBQESA-N	-2	3	352.334	2.188	20	30		FEEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-]	ZINC000541931636	562623726	/nfs/dbraw/zinc/62/37/26/562623726.db2.gz	CLEHWZIRJMCOSO-JTQLQIEISA-N	-2	3	350.223	2.447	20	30		FEEDHL
N#Cc1cc([N-]C(=O)c2cnc(NC(=O)[O-])cn2)c(Cl)c([N+](=O)[O-])c1	ZINC000833974636	606036121	/nfs/dbraw/zinc/03/61/21/606036121.db2.gz	MJHXIHIGAOFSRB-UHFFFAOYSA-N	-2	3	362.689	2.252	20	30		FEEDHL
N#CCc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1	ZINC000578492695	671669026	/nfs/dbraw/zinc/66/90/26/671669026.db2.gz	VKAITIYFRLFYDV-VIFPVBQESA-N	-2	3	370.736	2.090	20	30		FEEDHL
COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1CC(=O)[O-]	ZINC000539191926	673478226	/nfs/dbraw/zinc/47/82/26/673478226.db2.gz	IDGSWBQHDFWDIT-UHFFFAOYSA-N	-2	3	360.391	2.303	20	30		FEEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-]	ZINC000663285285	678713679	/nfs/dbraw/zinc/71/36/79/678713679.db2.gz	FMXUTUQKUQABMQ-ZDUSSCGKSA-N	-2	3	364.448	2.263	20	30		FEEDHL
O=C([O-])N[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2ccccc21	ZINC000834157680	680205542	/nfs/dbraw/zinc/20/55/42/680205542.db2.gz	KZIQMXYFCJQNOI-HNNXBMFYSA-N	-2	3	359.407	2.223	20	30		FEEDHL
Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1ccc([O-])cn1	ZINC000755599470	680423444	/nfs/dbraw/zinc/42/34/44/680423444.db2.gz	SMKYWHUAMKPPNJ-UHFFFAOYSA-N	-2	3	359.367	2.006	20	30		FEEDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274953661	550567498	/nfs/dbraw/zinc/56/74/98/550567498.db2.gz	GOXNDZWJVNGPAO-NSHDSACASA-N	-2	3	364.345	2.355	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1	ZINC000326380904	553780609	/nfs/dbraw/zinc/78/06/09/553780609.db2.gz	YDCARFLUIBVUFK-CQSZACIVSA-N	-2	3	364.810	2.186	20	30		FEEDHL
C=CC[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451211296	560293246	/nfs/dbraw/zinc/29/32/46/560293246.db2.gz	VKWIHHHXDJVJFR-NSHDSACASA-N	-2	3	364.464	2.220	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000535512396	562560157	/nfs/dbraw/zinc/56/01/57/562560157.db2.gz	NKYTYORINNAWNM-CQSZACIVSA-N	-2	3	364.810	2.186	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000596002374	597262814	/nfs/dbraw/zinc/26/28/14/597262814.db2.gz	YGJGJSQOCHRAKE-KRWDZBQOSA-N	-2	3	353.378	2.150	20	30		FEEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C/c2c([O-])c(C)ncc2CO)cc1OC	ZINC000737950549	600494871	/nfs/dbraw/zinc/49/48/71/600494871.db2.gz	RLADOQBJVWJJOA-MNPVBQOISA-N	-2	3	374.393	2.240	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(NC(=O)[O-])CCC2)no1	ZINC000740028286	602418364	/nfs/dbraw/zinc/41/83/64/602418364.db2.gz	MCSBKFIJXGJNLO-UHFFFAOYSA-N	-2	3	357.370	2.091	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000826461561	607884466	/nfs/dbraw/zinc/88/44/66/607884466.db2.gz	ZTQYSXMGZHUCPM-HJWRWDBZSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000826461561	607884467	/nfs/dbraw/zinc/88/44/67/607884467.db2.gz	ZTQYSXMGZHUCPM-HJWRWDBZSA-N	-2	3	350.334	2.226	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)n1	ZINC000368463041	673147690	/nfs/dbraw/zinc/14/76/90/673147690.db2.gz	RYOXTNRGUBVCSD-UHFFFAOYSA-N	-2	3	372.431	2.479	20	30		FEEDHL
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749855447	680081792	/nfs/dbraw/zinc/08/17/92/680081792.db2.gz	NUCGRWBYMZCUPH-UHFFFAOYSA-N	-2	3	371.321	2.032	20	30		FEEDHL
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(F)cc(F)c1[O-]	ZINC000757460083	680524360	/nfs/dbraw/zinc/52/43/60/680524360.db2.gz	NVOMLBZMHLOOTM-UHFFFAOYSA-N	-2	3	351.334	2.133	20	30		FEEDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000766049075	680864480	/nfs/dbraw/zinc/86/44/80/680864480.db2.gz	ZHQJNLWEBLGDLR-UHFFFAOYSA-N	-2	3	361.335	2.175	20	30		FEEDHL
C[N-]S(=O)(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000794679184	682989569	/nfs/dbraw/zinc/98/95/69/682989569.db2.gz	FQDIKYSNUVQYHZ-UHFFFAOYSA-N	-2	3	353.331	2.098	20	30		FEEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000864449986	683855297	/nfs/dbraw/zinc/85/52/97/683855297.db2.gz	ZMBVCODFMKTFTD-SSDOTTSWSA-N	-2	3	354.247	2.208	20	30		FEEDHL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1	ZINC000068216456	541564423	/nfs/dbraw/zinc/56/44/23/541564423.db2.gz	PBHKNYQTZDNLTL-UHFFFAOYSA-N	-2	3	372.402	2.326	20	30		FEEDHL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000433493053	559883075	/nfs/dbraw/zinc/88/30/75/559883075.db2.gz	XIXBICXDSIXCCP-UHFFFAOYSA-N	-3	3	362.363	2.162	20	30		FEEDHL
N#CC(=C([O-])c1cccc(C(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000821320780	598148717	/nfs/dbraw/zinc/14/87/17/598148717.db2.gz	YHRLVVANXDOQCI-CQSZACIVSA-N	-2	3	374.360	2.386	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000738212528	598821290	/nfs/dbraw/zinc/82/12/90/598821290.db2.gz	WHENCQMGGKHXSU-RUDMXATFSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000738212528	598821292	/nfs/dbraw/zinc/82/12/92/598821292.db2.gz	WHENCQMGGKHXSU-RUDMXATFSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000738212606	599464263	/nfs/dbraw/zinc/46/42/63/599464263.db2.gz	XSHNRJHQVALYOQ-SREVYHEPSA-N	-2	3	374.360	2.038	20	30		FEEDHL
O=C([O-])Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000738212606	599464265	/nfs/dbraw/zinc/46/42/65/599464265.db2.gz	XSHNRJHQVALYOQ-SREVYHEPSA-N	-2	3	374.360	2.038	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1-c1nnn[n-]1	ZINC000826190646	607530593	/nfs/dbraw/zinc/53/05/93/607530593.db2.gz	IGRRUOUGWBUEFX-DJWKRKHSSA-N	-2	3	367.321	2.385	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1-c1nn[n-]n1	ZINC000826190646	607530594	/nfs/dbraw/zinc/53/05/94/607530594.db2.gz	IGRRUOUGWBUEFX-DJWKRKHSSA-N	-2	3	367.321	2.385	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)ccc1[O-]	ZINC000822936503	606857646	/nfs/dbraw/zinc/85/76/46/606857646.db2.gz	VGOXDGNEPNZEIT-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)ccc1[O-]	ZINC000822936503	606857647	/nfs/dbraw/zinc/85/76/47/606857647.db2.gz	VGOXDGNEPNZEIT-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1[O-]	ZINC000822935749	606859593	/nfs/dbraw/zinc/85/95/93/606859593.db2.gz	MYVAUUONWKLNNC-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1[O-]	ZINC000822935749	606859594	/nfs/dbraw/zinc/85/95/94/606859594.db2.gz	MYVAUUONWKLNNC-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1F	ZINC000567822458	675326701	/nfs/dbraw/zinc/32/67/01/675326701.db2.gz	BHURWMUPYBRCQY-UHFFFAOYSA-N	-2	3	356.281	2.475	20	30		FEEDHL
C=C(C)C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-]	ZINC000909159909	691787939	/nfs/dbraw/zinc/78/79/39/691787939.db2.gz	RQOWZXZWDJJUBU-NSHDSACASA-N	-2	3	357.204	2.373	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)ccc1F	ZINC000285107966	551705484	/nfs/dbraw/zinc/70/54/84/551705484.db2.gz	MOLUWBMPGIMSRD-VIFPVBQESA-N	-2	3	368.308	2.019	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c1	ZINC000321343215	553766293	/nfs/dbraw/zinc/76/62/93/553766293.db2.gz	WICHBWDXTFYRGL-UHFFFAOYSA-N	-2	3	350.783	2.388	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c(Cl)c1	ZINC000326141043	553779290	/nfs/dbraw/zinc/77/92/90/553779290.db2.gz	KINTYEMZQKEMHY-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000515370642	562007642	/nfs/dbraw/zinc/00/76/42/562007642.db2.gz	IBXXFSWRELAURU-SECBINFHSA-N	-2	3	366.208	2.286	20	30		FEEDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000424394814	559662919	/nfs/dbraw/zinc/66/29/19/559662919.db2.gz	UGRNQRTWXHCRQP-UHFFFAOYSA-N	-2	3	364.345	2.356	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCCCN1C(=O)[O-]	ZINC000740028379	603147361	/nfs/dbraw/zinc/14/73/61/603147361.db2.gz	QCRKLQDQAAESRF-CYBMUJFWSA-N	-2	3	361.398	2.284	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000821786721	606858576	/nfs/dbraw/zinc/85/85/76/606858576.db2.gz	ILSWFXDDBVBTSE-DJWKRKHSSA-N	-3	3	366.333	2.175	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000821786721	606858578	/nfs/dbraw/zinc/85/85/78/606858578.db2.gz	ILSWFXDDBVBTSE-DJWKRKHSSA-N	-3	3	366.333	2.175	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000546564932	609522738	/nfs/dbraw/zinc/52/27/38/609522738.db2.gz	HCNABBKBNVJRAT-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000275006666	330001407	/nfs/dbraw/zinc/00/14/07/330001407.db2.gz	MQHGPFCRLVFCEE-QMMMGPOBSA-N	-2	3	350.318	2.109	20	30		FEEDHL
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1Cl	ZINC000437003203	559959394	/nfs/dbraw/zinc/95/93/94/559959394.db2.gz	ZLISWFSCBTZBKP-UHFFFAOYSA-N	-3	3	352.755	2.416	20	30		FEEDHL
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000730996445	600545140	/nfs/dbraw/zinc/54/51/40/600545140.db2.gz	QJPXTQTYBILNTI-UHFFFAOYSA-N	-2	3	361.375	2.206	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000823387744	607459000	/nfs/dbraw/zinc/45/90/00/607459000.db2.gz	WLPKSSNSYAAAJO-VOTSOKGWSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000823387744	607459001	/nfs/dbraw/zinc/45/90/01/607459001.db2.gz	WLPKSSNSYAAAJO-VOTSOKGWSA-N	-2	3	368.324	2.365	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000738149722	601074139	/nfs/dbraw/zinc/07/41/39/601074139.db2.gz	YDQSIQIGNAQVMW-QGZVFWFLSA-N	-2	3	367.405	2.193	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN(C(=O)[O-])C(C)C	ZINC000740028292	602356784	/nfs/dbraw/zinc/35/67/84/602356784.db2.gz	MIMPIVVXHQGPQY-UHFFFAOYSA-N	-2	3	362.430	2.103	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000829820494	604238496	/nfs/dbraw/zinc/23/84/96/604238496.db2.gz	CUCJLWCIXOMQLA-JSGCOSHPSA-N	-2	3	374.441	2.103	20	30		FEEDHL
CN(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1	ZINC000619470451	676378602	/nfs/dbraw/zinc/37/86/02/676378602.db2.gz	RZZREKOHYLVMIU-UHFFFAOYSA-N	-2	3	359.407	2.318	20	30		FEEDHL
CCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(Br)c1[O-]	ZINC000916284332	685523210	/nfs/dbraw/zinc/52/32/10/685523210.db2.gz	XWPUOLVSEAXIHW-UHFFFAOYSA-N	-2	3	368.191	2.198	20	30		FEEDHL
C=CCOc1ccc(-c2nnc(SC=C([O-])N=c3[n-]c(C)no3)o2)cc1	ZINC000489762138	561418511	/nfs/dbraw/zinc/41/85/11/561418511.db2.gz	LMIBRPKVICPDGX-UHFFFAOYSA-N	-2	3	373.394	2.146	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C(=O)[O-]	ZINC000391176080	558613674	/nfs/dbraw/zinc/61/36/74/558613674.db2.gz	JWBULSFOBIVNLT-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1C(=O)[O-]	ZINC000541003637	562600003	/nfs/dbraw/zinc/60/00/03/562600003.db2.gz	PPQBHJQECRHEAX-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)cc1-c1nnn[n-]1	ZINC000737080660	599155448	/nfs/dbraw/zinc/15/54/48/599155448.db2.gz	FRNOTBTZWMSNGN-YWEYNIOJSA-N	-2	3	364.361	2.399	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)cc1-c1nn[n-]n1	ZINC000737080660	599155450	/nfs/dbraw/zinc/15/54/50/599155450.db2.gz	FRNOTBTZWMSNGN-YWEYNIOJSA-N	-2	3	364.361	2.399	20	30		FEEDHL
N#CC(=C([O-])c1cccc(C(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000821320779	598148698	/nfs/dbraw/zinc/14/86/98/598148698.db2.gz	YHRLVVANXDOQCI-AWEZNQCLSA-N	-2	3	374.360	2.386	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](C)CN(C)C(=O)[O-])no1	ZINC000740028675	603007097	/nfs/dbraw/zinc/00/70/97/603007097.db2.gz	VDKKYRHZIBLCQF-VIFPVBQESA-N	-2	3	359.386	2.157	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C	ZINC000740028252	603052846	/nfs/dbraw/zinc/05/28/46/603052846.db2.gz	KZGKHUPSGMZEFX-SFHVURJKSA-N	-2	3	362.430	2.007	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c([O-])c1	ZINC000821769587	606856970	/nfs/dbraw/zinc/85/69/70/606856970.db2.gz	IOHMTFJBMFRZTQ-XVNBXDOJSA-N	-2	3	352.350	2.486	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c([O-])c1	ZINC000821769587	606856971	/nfs/dbraw/zinc/85/69/71/606856971.db2.gz	IOHMTFJBMFRZTQ-XVNBXDOJSA-N	-2	3	352.350	2.486	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-]	ZINC000776598163	681413497	/nfs/dbraw/zinc/41/34/97/681413497.db2.gz	XHFRJNIDPIVVFT-JTQLQIEISA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)ccc1Cl	ZINC000485047757	561311380	/nfs/dbraw/zinc/31/13/80/561311380.db2.gz	HKCCOIKIEUIQTR-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)ccc1Cl	ZINC000485047757	561311381	/nfs/dbraw/zinc/31/13/81/561311381.db2.gz	HKCCOIKIEUIQTR-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
Cc1cccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1C#N	ZINC000284897224	551661422	/nfs/dbraw/zinc/66/14/22/551661422.db2.gz	AMILYWBRYDQIIX-SNVBAGLBSA-N	-2	3	364.345	2.188	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000530338064	562407495	/nfs/dbraw/zinc/40/74/95/562407495.db2.gz	PIWVSFUHJCUKAD-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1	ZINC000377135893	558273980	/nfs/dbraw/zinc/27/39/80/558273980.db2.gz	IEFJPWRFROKRKE-UHFFFAOYSA-N	-2	3	356.363	2.423	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000584294786	600606858	/nfs/dbraw/zinc/60/68/58/600606858.db2.gz	GMRKFPYYZXVQRW-UHFFFAOYSA-N	-2	3	353.378	2.326	20	30		FEEDHL
C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000120543849	671928032	/nfs/dbraw/zinc/92/80/32/671928032.db2.gz	OVVUEARTWHPNEZ-UHFFFAOYSA-N	-2	3	364.810	2.209	20	30		FEEDHL
Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c(Br)c2)c(=O)o1	ZINC000255697206	672895572	/nfs/dbraw/zinc/89/55/72/672895572.db2.gz	MAWLXBGGBPGXJC-PKXJPQMGSA-N	-2	3	351.152	2.383	20	30		FEEDHL
CC1=CC(=O)C(=C([O-])C=Cc2ccc([O-])c(Br)c2)C(=O)O1	ZINC000255697206	672895574	/nfs/dbraw/zinc/89/55/74/672895574.db2.gz	MAWLXBGGBPGXJC-PKXJPQMGSA-N	-2	3	351.152	2.383	20	30		FEEDHL
C=C(CC)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000840895559	680850564	/nfs/dbraw/zinc/85/05/64/680850564.db2.gz	NEUZRHDCNHALIB-UHFFFAOYSA-N	-2	3	354.247	2.453	20	30		FEEDHL
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766018908	680863420	/nfs/dbraw/zinc/86/34/20/680863420.db2.gz	BUPKZHJGLWUIIL-UHFFFAOYSA-N	-2	3	353.169	2.281	20	30		FEEDHL
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000794768603	682995154	/nfs/dbraw/zinc/99/51/54/682995154.db2.gz	WNZATQDUGIDVDN-MRVPVSSYSA-N	-2	3	370.736	2.143	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1	ZINC000527499199	539705905	/nfs/dbraw/zinc/70/59/05/539705905.db2.gz	PCPFYERDTLTKQQ-HNNXBMFYSA-N	-2	3	355.398	2.422	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-]	ZINC000297235759	553267432	/nfs/dbraw/zinc/26/74/32/553267432.db2.gz	PGZPGZGUOLQSSY-SMDDNHRTSA-N	-2	3	354.403	2.399	20	30		FEEDHL
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000435873882	559931559	/nfs/dbraw/zinc/93/15/59/559931559.db2.gz	GNQDOMUXBMLGSJ-XHDPSFHLSA-N	-2	3	357.403	2.092	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1CC(=O)[O-]	ZINC000821770162	606388434	/nfs/dbraw/zinc/38/84/34/606388434.db2.gz	PZQMJOGVQDDSCU-HWKANZROSA-N	-2	3	370.390	2.460	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000826461560	607884610	/nfs/dbraw/zinc/88/46/10/607884610.db2.gz	ZTQYSXMGZHUCPM-CMDGGOBGSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000826461560	607884611	/nfs/dbraw/zinc/88/46/11/607884611.db2.gz	ZTQYSXMGZHUCPM-CMDGGOBGSA-N	-2	3	350.334	2.226	20	30		FEEDHL
CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000733061013	673396223	/nfs/dbraw/zinc/39/62/23/673396223.db2.gz	HSDISOSLXWIZKX-UHFFFAOYSA-N	-2	3	367.471	2.091	20	30		FEEDHL
O=S1(=O)[N-]C(=NN=Cc2cc(Cl)cc(F)c2[O-])c2ccccc21	ZINC000768360723	680945054	/nfs/dbraw/zinc/94/50/54/680945054.db2.gz	OEFPTYFRJFOACC-UHFFFAOYSA-N	-2	3	353.762	2.257	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-]	ZINC000793982632	682923503	/nfs/dbraw/zinc/92/35/03/682923503.db2.gz	AXQYSRFMCSSYRL-MRVPVSSYSA-N	-2	3	371.308	2.422	20	30		FEEDHL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000500368470	561571049	/nfs/dbraw/zinc/57/10/49/561571049.db2.gz	UQDHIIKZONDYHC-UHFFFAOYSA-N	-2	3	360.391	2.439	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000326116552	553779188	/nfs/dbraw/zinc/77/91/88/553779188.db2.gz	FFZNUFHPSUGERK-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)n[n-]1	ZINC000568144123	567938681	/nfs/dbraw/zinc/93/86/81/567938681.db2.gz	VXRFOHGFNSQCAY-ZDUSSCGKSA-N	-2	3	371.397	2.076	20	30		FEEDHL
CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)[n-]1	ZINC000568144123	567938682	/nfs/dbraw/zinc/93/86/82/567938682.db2.gz	VXRFOHGFNSQCAY-ZDUSSCGKSA-N	-2	3	371.397	2.076	20	30		FEEDHL
CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000568144123	567938683	/nfs/dbraw/zinc/93/86/83/567938683.db2.gz	VXRFOHGFNSQCAY-ZDUSSCGKSA-N	-2	3	371.397	2.076	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-]	ZINC000740028002	602018135	/nfs/dbraw/zinc/01/81/35/602018135.db2.gz	AANCDSNBZVMQKZ-CJNGLKHVSA-N	-2	3	374.441	2.246	20	30		FEEDHL
CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)[nH]c(C(=O)[O-])c2C)n1	ZINC000829890439	604881248	/nfs/dbraw/zinc/88/12/48/604881248.db2.gz	SICGYCUFWKKDDK-VIFPVBQESA-N	-2	3	361.379	2.453	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cn1C	ZINC000822010056	606406361	/nfs/dbraw/zinc/40/63/61/606406361.db2.gz	LNULLBMITYVNMS-ZDUSSCGKSA-N	-2	3	373.376	2.200	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cn1C	ZINC000822010056	606406363	/nfs/dbraw/zinc/40/63/63/606406363.db2.gz	LNULLBMITYVNMS-ZDUSSCGKSA-N	-2	3	373.376	2.200	20	30		FEEDHL
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000610123639	675955041	/nfs/dbraw/zinc/95/50/41/675955041.db2.gz	ANFNFASTJDZPNS-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000751214223	680160276	/nfs/dbraw/zinc/16/02/76/680160276.db2.gz	JEZVAPNAPVGVFG-UHFFFAOYSA-N	-3	3	365.338	2.042	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-]	ZINC000798409445	683343984	/nfs/dbraw/zinc/34/39/84/683343984.db2.gz	ZDLCONHVGPNGRK-VIFPVBQESA-N	-2	3	366.208	2.286	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cccc([O-])c21	ZINC000155553928	545541114	/nfs/dbraw/zinc/54/11/14/545541114.db2.gz	FRSJSPUBDMRHKS-UHFFFAOYSA-N	-2	3	351.406	2.481	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-]	ZINC000297235749	553267489	/nfs/dbraw/zinc/26/74/89/553267489.db2.gz	PGZPGZGUOLQSSY-BXUZGUMPSA-N	-2	3	354.403	2.399	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC000832843180	602336358	/nfs/dbraw/zinc/33/63/58/602336358.db2.gz	SRXLEIIXTYMKAW-UHFFFAOYSA-N	-2	3	360.395	2.026	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740028228	602635531	/nfs/dbraw/zinc/63/55/31/602635531.db2.gz	KKPOQMCRJCXWAO-AWEZNQCLSA-N	-2	3	374.441	2.105	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1CC(=O)[O-]	ZINC000821768992	606304274	/nfs/dbraw/zinc/30/42/74/606304274.db2.gz	CBFXXDZDIUBGGK-ARJAWSKDSA-N	-2	3	370.390	2.460	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1CC(=O)[O-]	ZINC000821768992	606304275	/nfs/dbraw/zinc/30/42/75/606304275.db2.gz	CBFXXDZDIUBGGK-ARJAWSKDSA-N	-2	3	370.390	2.460	20	30		FEEDHL
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C#N	ZINC000826255826	675685291	/nfs/dbraw/zinc/68/52/91/675685291.db2.gz	LSDSWJYYNPMMJS-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C#N	ZINC000826255826	675685292	/nfs/dbraw/zinc/68/52/92/675685292.db2.gz	LSDSWJYYNPMMJS-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(Cl)c1[O-]	ZINC000753167157	680277988	/nfs/dbraw/zinc/27/79/88/680277988.db2.gz	WEBCNXBCAKTCFV-UHFFFAOYSA-N	-2	3	355.759	2.266	20	30		FEEDHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC#N)c1	ZINC000477605162	561149072	/nfs/dbraw/zinc/14/90/72/561149072.db2.gz	FNNHSTQBUFVGDN-UHFFFAOYSA-N	-2	3	361.379	2.054	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1	ZINC000516379789	562041369	/nfs/dbraw/zinc/04/13/69/562041369.db2.gz	XGWQRGNPWRYHBE-ZDUSSCGKSA-N	-2	3	364.810	2.358	20	30		FEEDHL
C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451211295	560293283	/nfs/dbraw/zinc/29/32/83/560293283.db2.gz	VKWIHHHXDJVJFR-LLVKDONJSA-N	-2	3	364.464	2.220	20	30		FEEDHL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1	ZINC000735402185	598451375	/nfs/dbraw/zinc/45/13/75/598451375.db2.gz	LKRCJLUDLYAFKD-UHFFFAOYSA-N	-2	3	372.410	2.017	20	30		FEEDHL
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000735402185	598451377	/nfs/dbraw/zinc/45/13/77/598451377.db2.gz	LKRCJLUDLYAFKD-UHFFFAOYSA-N	-2	3	372.410	2.017	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000738210487	598821521	/nfs/dbraw/zinc/82/15/21/598821521.db2.gz	PUJCDHMWTOYABA-FPLPWBNLSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000738210487	598821522	/nfs/dbraw/zinc/82/15/22/598821522.db2.gz	PUJCDHMWTOYABA-FPLPWBNLSA-N	-2	3	350.334	2.226	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000738149721	601074260	/nfs/dbraw/zinc/07/42/60/601074260.db2.gz	YDQSIQIGNAQVMW-KRWDZBQOSA-N	-2	3	367.405	2.193	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000829820493	604238599	/nfs/dbraw/zinc/23/85/99/604238599.db2.gz	CUCJLWCIXOMQLA-GXTWGEPZSA-N	-2	3	374.441	2.103	20	30		FEEDHL
C=CCNc1ncc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1	ZINC000825691942	604741249	/nfs/dbraw/zinc/74/12/49/604741249.db2.gz	FABMWNZTUBIORX-UHFFFAOYSA-N	-2	3	353.429	2.252	20	30		FEEDHL
O=C([O-])COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826461250	609274980	/nfs/dbraw/zinc/27/49/80/609274980.db2.gz	MUCCNTVYPZZPAC-BAQGIRSFSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826461250	609274981	/nfs/dbraw/zinc/27/49/81/609274981.db2.gz	MUCCNTVYPZZPAC-BAQGIRSFSA-N	-2	3	368.324	2.365	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000560492960	674594527	/nfs/dbraw/zinc/59/45/27/674594527.db2.gz	MFLWEVLFVFIEIV-QMMMGPOBSA-N	-2	3	366.208	2.286	20	30		FEEDHL
O=S1(=O)[N-]C(=NN=Cc2cc(Cl)c(F)cc2[O-])c2ccccc21	ZINC000814798724	674880389	/nfs/dbraw/zinc/88/03/89/674880389.db2.gz	MIMNBQWGEIYGJN-UHFFFAOYSA-N	-2	3	353.762	2.257	20	30		FEEDHL
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814859266	674884210	/nfs/dbraw/zinc/88/42/10/674884210.db2.gz	QSPKRJNKEBACIH-UHFFFAOYSA-N	-2	3	352.437	2.332	20	30		FEEDHL
Cc1cccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C#N	ZINC000826280263	675685259	/nfs/dbraw/zinc/68/52/59/675685259.db2.gz	UVYNMCDCNDBHNF-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1C#N	ZINC000826280263	675685261	/nfs/dbraw/zinc/68/52/61/675685261.db2.gz	UVYNMCDCNDBHNF-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000392103896	558616150	/nfs/dbraw/zinc/61/61/50/558616150.db2.gz	BXZWQXJUBSOPSS-UHFFFAOYSA-N	-2	3	350.327	2.210	20	30		FEEDHL
C=C(C)CC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451803639	560329508	/nfs/dbraw/zinc/32/95/08/560329508.db2.gz	RKHFTWCYSRZDAX-UHFFFAOYSA-N	-2	3	364.464	2.222	20	30		FEEDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1CC(=O)[O-]	ZINC000537037839	562584525	/nfs/dbraw/zinc/58/45/25/562584525.db2.gz	DOXCOHOGTUVPQA-UHFFFAOYSA-N	-2	3	360.391	2.189	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000738210484	598820952	/nfs/dbraw/zinc/82/09/52/598820952.db2.gz	PUJCDHMWTOYABA-BQYQJAHWSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000738210484	598820953	/nfs/dbraw/zinc/82/09/53/598820953.db2.gz	PUJCDHMWTOYABA-BQYQJAHWSA-N	-2	3	350.334	2.226	20	30		FEEDHL
C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F	ZINC000825660080	601806719	/nfs/dbraw/zinc/80/67/19/601806719.db2.gz	RJYCOSVCTVSHJV-LURJTMIESA-N	-2	3	352.181	2.139	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000829820789	603493684	/nfs/dbraw/zinc/49/36/84/603493684.db2.gz	IYMKQNULXADOJG-DOMZBBRYSA-N	-2	3	361.398	2.188	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)[C@@H]1CCCN1C(=O)[O-]	ZINC000829820961	603594975	/nfs/dbraw/zinc/59/49/75/603594975.db2.gz	LKCOPZJLXXFUJM-WFASDCNBSA-N	-2	3	361.398	2.282	20	30		FEEDHL
CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-]	ZINC000757465409	680524298	/nfs/dbraw/zinc/52/42/98/680524298.db2.gz	OTQHFJATUWPYAN-UHFFFAOYSA-N	-2	3	371.321	2.281	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000595998997	939803109	/nfs/dbraw/zinc/80/31/09/939803109.db2.gz	GVCUYMFNBDFWJI-FQEVSTJZSA-N	-2	3	367.405	2.325	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c1	ZINC000275180597	330019164	/nfs/dbraw/zinc/01/91/64/330019164.db2.gz	DHTPERZAVWHXTM-UMSPYCQHSA-N	-2	3	356.831	2.381	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000521565477	562178904	/nfs/dbraw/zinc/17/89/04/562178904.db2.gz	CNFWOYCDVNFYKK-QMMMGPOBSA-N	-2	3	371.308	2.422	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000527052329	562274761	/nfs/dbraw/zinc/27/47/61/562274761.db2.gz	YUYNFNPDHPCPOD-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000527300881	562284460	/nfs/dbraw/zinc/28/44/60/562284460.db2.gz	CLMFTVYUSWOFEK-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
O=C([O-])Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000738212609	599464168	/nfs/dbraw/zinc/46/41/68/599464168.db2.gz	XSHNRJHQVALYOQ-VOTSOKGWSA-N	-2	3	374.360	2.038	20	30		FEEDHL
O=C([O-])Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000738212609	599464171	/nfs/dbraw/zinc/46/41/71/599464171.db2.gz	XSHNRJHQVALYOQ-VOTSOKGWSA-N	-2	3	374.360	2.038	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1CC(=O)[O-]	ZINC000826187594	607884317	/nfs/dbraw/zinc/88/43/17/607884317.db2.gz	XKYMQCFVOJBIFO-VURMDHGXSA-N	-2	3	364.361	2.399	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1CC(=O)[O-]	ZINC000826187594	607884318	/nfs/dbraw/zinc/88/43/18/607884318.db2.gz	XKYMQCFVOJBIFO-VURMDHGXSA-N	-2	3	364.361	2.399	20	30		FEEDHL
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000826177596	607931067	/nfs/dbraw/zinc/93/10/67/607931067.db2.gz	OFDZXRLSQGRFKT-UHFFFAOYSA-N	-2	3	356.317	2.159	20	30		FEEDHL
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000826177596	607931068	/nfs/dbraw/zinc/93/10/68/607931068.db2.gz	OFDZXRLSQGRFKT-UHFFFAOYSA-N	-2	3	356.317	2.159	20	30		FEEDHL
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826386981	608107833	/nfs/dbraw/zinc/10/78/33/608107833.db2.gz	ARFNKAHTVAONSM-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826386981	608107834	/nfs/dbraw/zinc/10/78/34/608107834.db2.gz	ARFNKAHTVAONSM-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000826461632	609469839	/nfs/dbraw/zinc/46/98/39/609469839.db2.gz	BMPCSSYVZMXZTJ-UHFFFAOYSA-N	-2	3	356.773	2.342	20	30		FEEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000826461632	609469840	/nfs/dbraw/zinc/46/98/40/609469840.db2.gz	BMPCSSYVZMXZTJ-UHFFFAOYSA-N	-2	3	356.773	2.342	20	30		FEEDHL
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1	ZINC000540498180	673543525	/nfs/dbraw/zinc/54/35/25/673543525.db2.gz	QXJZJYZSSLENKI-UHFFFAOYSA-N	-2	3	362.407	2.117	20	30		FEEDHL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c([O-])cc(F)cc2F)n1	ZINC000749282584	680036400	/nfs/dbraw/zinc/03/64/00/680036400.db2.gz	ZSCJYJMPYNMWHV-SECBINFHSA-N	-2	3	352.318	2.469	20	30		FEEDHL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000751215261	680160283	/nfs/dbraw/zinc/16/02/83/680160283.db2.gz	WXWJUVJRQZZMBW-UHFFFAOYSA-N	-3	3	365.338	2.042	20	30		FEEDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000261867381	328825446	/nfs/dbraw/zinc/82/54/46/328825446.db2.gz	PVODHOYMIGAXEM-LLVKDONJSA-N	-2	3	364.345	2.499	20	30		FEEDHL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1	ZINC000507936648	561746700	/nfs/dbraw/zinc/74/67/00/561746700.db2.gz	LDXGYDMKXSDVDI-UHFFFAOYSA-N	-2	3	360.395	2.065	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)nc3)c2)n1	ZINC000363648592	555154607	/nfs/dbraw/zinc/15/46/07/555154607.db2.gz	MGYYRSXWNBGYSU-UHFFFAOYSA-N	-2	3	367.390	2.225	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000526060087	562265557	/nfs/dbraw/zinc/26/55/57/562265557.db2.gz	UMSJZCPFEAZCMJ-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cc1ncc(CO)c(/C=N\[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1[O-]	ZINC000738885355	600153665	/nfs/dbraw/zinc/15/36/65/600153665.db2.gz	LFJCKDZABSCVNF-TYVMICBZSA-N	-2	3	353.378	2.184	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)[C@H]1CCCN1C(=O)[O-]	ZINC000829820959	603595196	/nfs/dbraw/zinc/59/51/96/603595196.db2.gz	LKCOPZJLXXFUJM-SWLSCSKDSA-N	-2	3	361.398	2.282	20	30		FEEDHL
CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000823953880	608535334	/nfs/dbraw/zinc/53/53/34/608535334.db2.gz	UBMHWMNETHPCAO-UHFFFAOYSA-N	-2	3	374.748	2.365	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000575999644	671337316	/nfs/dbraw/zinc/33/73/16/671337316.db2.gz	QPTITGRIICUECQ-MRVPVSSYSA-N	-2	3	371.308	2.422	20	30		FEEDHL
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1	ZINC000481574945	561236393	/nfs/dbraw/zinc/23/63/93/561236393.db2.gz	WGBVRNJUUIYDDN-UHFFFAOYSA-N	-2	3	374.422	2.455	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000285130204	551708859	/nfs/dbraw/zinc/70/88/59/551708859.db2.gz	NOEHKFUSKLOUEL-VIFPVBQESA-N	-2	3	368.308	2.019	20	30		FEEDHL
N#CCC1(CS(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)CC1	ZINC000518382689	562110280	/nfs/dbraw/zinc/11/02/80/562110280.db2.gz	AFPGTARDXYYFTM-UHFFFAOYSA-N	-2	3	360.395	2.006	20	30		FEEDHL
N#Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1[O-]	ZINC000442977754	560064721	/nfs/dbraw/zinc/06/47/21/560064721.db2.gz	WDCCJPLMMLJLPD-UHFFFAOYSA-N	-2	3	365.389	2.004	20	30		FEEDHL
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br	ZINC000736094387	600238162	/nfs/dbraw/zinc/23/81/62/600238162.db2.gz	DNKUWFMLLIDQGV-UHFFFAOYSA-N	-2	3	372.599	2.317	20	30		FEEDHL
CCC(CC)(CNC(=O)[O-])NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000739250125	602443662	/nfs/dbraw/zinc/44/36/62/602443662.db2.gz	RCXRLQKPLRQAHC-UHFFFAOYSA-N	-2	3	362.430	2.151	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(CNC(=O)[O-])C(C)C	ZINC000740028251	603053232	/nfs/dbraw/zinc/05/32/32/603053232.db2.gz	KZGKHUPSGMZEFX-GOSISDBHSA-N	-2	3	362.430	2.007	20	30		FEEDHL
O=C([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[nH]1	ZINC000823387520	606619034	/nfs/dbraw/zinc/61/90/34/606619034.db2.gz	NQNZSFDEGQUQRP-UHFFFAOYSA-N	-2	3	365.275	2.358	20	30		FEEDHL
O=C([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[nH]1	ZINC000823387520	606619035	/nfs/dbraw/zinc/61/90/35/606619035.db2.gz	NQNZSFDEGQUQRP-UHFFFAOYSA-N	-2	3	365.275	2.358	20	30		FEEDHL
COc1cc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1[O-]	ZINC000821708728	606989373	/nfs/dbraw/zinc/98/93/73/606989373.db2.gz	XURAWQSBSHQYLO-UHFFFAOYSA-N	-2	3	369.341	2.325	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1	ZINC000826383191	675687836	/nfs/dbraw/zinc/68/78/36/675687836.db2.gz	OKRWHQIJNKZWMO-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
COc1c([O-])c(C=Nn2c(C(F)(F)F)n[n-]c2=S)ccc1[N+](=O)[O-]	ZINC000773004641	681121548	/nfs/dbraw/zinc/12/15/48/681121548.db2.gz	GUACERVHFCYSLX-UHFFFAOYSA-N	-2	3	363.277	2.090	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-]	ZINC000776598165	681413448	/nfs/dbraw/zinc/41/34/48/681413448.db2.gz	XHFRJNIDPIVVFT-SNVBAGLBSA-N	-2	3	366.208	2.286	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000073956752	542019247	/nfs/dbraw/zinc/01/92/47/542019247.db2.gz	SEHCQRFXSVBTSA-UHFFFAOYSA-N	-2	3	354.292	2.221	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000073956752	542019249	/nfs/dbraw/zinc/01/92/49/542019249.db2.gz	SEHCQRFXSVBTSA-UHFFFAOYSA-N	-2	3	354.292	2.221	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000073956752	542019251	/nfs/dbraw/zinc/01/92/51/542019251.db2.gz	SEHCQRFXSVBTSA-UHFFFAOYSA-N	-2	3	354.292	2.221	20	30		FEEDHL
N#CC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1	ZINC000282373442	551219179	/nfs/dbraw/zinc/21/91/79/551219179.db2.gz	ZRZQFOKRRVDNBJ-UHFFFAOYSA-N	-2	3	358.366	2.271	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CC[C@H](NC(=O)[O-])CC1	ZINC000829821073	605444861	/nfs/dbraw/zinc/44/48/61/605444861.db2.gz	MMCKGHCCFWSRIC-JOCQHMNTSA-N	-2	3	361.398	2.330	20	30		FEEDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC#N)c1	ZINC000766317963	680873774	/nfs/dbraw/zinc/87/37/74/680873774.db2.gz	HALLUTZOSDHGLZ-UHFFFAOYSA-N	-2	3	363.351	2.312	20	30		FEEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F	ZINC000853072004	682371992	/nfs/dbraw/zinc/37/19/92/682371992.db2.gz	XEEDVQNTKLTELV-QMMMGPOBSA-N	-2	3	368.308	2.019	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)n1	ZINC000170834079	327101457	/nfs/dbraw/zinc/10/14/57/327101457.db2.gz	CDJYSKMOTLKUAY-UHFFFAOYSA-N	-2	3	366.402	2.418	20	30		FEEDHL
CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000485071423	561311886	/nfs/dbraw/zinc/31/18/86/561311886.db2.gz	DFFQIODROMUVBX-LLVKDONJSA-N	-2	3	369.399	2.024	20	30		FEEDHL
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C(=O)[O-]	ZINC000321637096	553767052	/nfs/dbraw/zinc/76/70/52/553767052.db2.gz	AMRPOHCVBOPVGS-UHFFFAOYSA-N	-2	3	371.827	2.153	20	30		FEEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F	ZINC000560421445	674586182	/nfs/dbraw/zinc/58/61/82/674586182.db2.gz	LQKLLKSXHGPAED-QMMMGPOBSA-N	-2	3	370.736	2.143	20	30		FEEDHL
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1-c1nn[n-]n1	ZINC000826257056	675685544	/nfs/dbraw/zinc/68/55/44/675685544.db2.gz	LTZFFUVIGZTJCF-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000840894108	680850382	/nfs/dbraw/zinc/85/03/82/680850382.db2.gz	ODUZKSGPEIFDEU-ZJUUUORDSA-N	-2	3	366.222	2.313	20	30		FEEDHL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c([O-])cc(F)cc2F)n1	ZINC000749282586	680036362	/nfs/dbraw/zinc/03/63/62/680036362.db2.gz	ZSCJYJMPYNMWHV-VIFPVBQESA-N	-2	3	352.318	2.469	20	30		FEEDHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-]	ZINC000863420821	683721797	/nfs/dbraw/zinc/72/17/97/683721797.db2.gz	SFPGUEXXVXPLHK-QMMMGPOBSA-N	-2	3	373.736	2.301	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1Cl	ZINC000164251467	327067249	/nfs/dbraw/zinc/06/72/49/327067249.db2.gz	YDCAZZMATUZUFS-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1Cl	ZINC000164251467	327067250	/nfs/dbraw/zinc/06/72/50/327067250.db2.gz	YDCAZZMATUZUFS-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1F	ZINC000282351410	551215523	/nfs/dbraw/zinc/21/55/23/551215523.db2.gz	YGPMJVVMMWPCEI-UHFFFAOYSA-N	-2	3	354.403	2.441	20	30		FEEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C\c2c([O-])c(C)ncc2CO)cc1OC	ZINC000737950539	600495016	/nfs/dbraw/zinc/49/50/16/600495016.db2.gz	RLADOQBJVWJJOA-HBYKXQRASA-N	-2	3	374.393	2.240	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000740028063	601995751	/nfs/dbraw/zinc/99/57/51/601995751.db2.gz	CMAIFYNZTDOMSJ-UHFFFAOYSA-N	-2	3	355.354	2.332	20	30		FEEDHL
CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCN(C(=O)[O-])C1	ZINC000739342707	602513117	/nfs/dbraw/zinc/51/31/17/602513117.db2.gz	GNQJLPDVAIPXEK-AWEZNQCLSA-N	-2	3	374.441	2.199	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](C)CN(C)C(=O)[O-])no1	ZINC000740028674	603007049	/nfs/dbraw/zinc/00/70/49/603007049.db2.gz	VDKKYRHZIBLCQF-SECBINFHSA-N	-2	3	359.386	2.157	20	30		FEEDHL
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1	ZINC000833405685	605039643	/nfs/dbraw/zinc/03/96/43/605039643.db2.gz	GUEVYXIGPITOAN-JTQLQIEISA-N	-2	3	371.401	2.180	20	30		FEEDHL
N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833961954	606012928	/nfs/dbraw/zinc/01/29/28/606012928.db2.gz	VKLCVNSGJMCDTL-QMMMGPOBSA-N	-2	3	359.729	2.181	20	30		FEEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(C(F)(F)F)ccc1Br	ZINC000814232181	674827440	/nfs/dbraw/zinc/82/74/40/674827440.db2.gz	XFYIVSHTINWLIE-UHFFFAOYSA-N	-2	3	351.082	2.353	20	30		FEEDHL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-]	ZINC000547882781	673896912	/nfs/dbraw/zinc/89/69/12/673896912.db2.gz	PHVKIHBWPAZXFZ-UHFFFAOYSA-N	-2	3	359.407	2.432	20	30		FEEDHL
C=C(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000840891157	680849904	/nfs/dbraw/zinc/84/99/04/680849904.db2.gz	GYIJIEIWFKTSJW-UHFFFAOYSA-N	-2	3	354.247	2.453	20	30		FEEDHL
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000131389676	544188485	/nfs/dbraw/zinc/18/84/85/544188485.db2.gz	ZEEOSAILMKLWLA-UHFFFAOYSA-N	-2	3	350.371	2.248	20	30		FEEDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274987879	329999673	/nfs/dbraw/zinc/99/96/73/329999673.db2.gz	MJLWXPRTNNLMBH-VIFPVBQESA-N	-2	3	364.345	2.499	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000515370643	562007673	/nfs/dbraw/zinc/00/76/73/562007673.db2.gz	IBXXFSWRELAURU-VIFPVBQESA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c(Cl)c1	ZINC000387708139	558608350	/nfs/dbraw/zinc/60/83/50/558608350.db2.gz	QNTIQLLFUMQRFY-LBPRGKRZSA-N	-2	3	356.812	2.377	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-]	ZINC000829821413	603660620	/nfs/dbraw/zinc/66/06/20/603660620.db2.gz	RLIBXVVCXKIUCZ-BDJLRTHQSA-N	-2	3	374.441	2.103	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)ccc1[O-]	ZINC000822936507	606857788	/nfs/dbraw/zinc/85/77/88/606857788.db2.gz	VGOXDGNEPNZEIT-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)ccc1[O-]	ZINC000822936507	606857790	/nfs/dbraw/zinc/85/77/90/606857790.db2.gz	VGOXDGNEPNZEIT-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
C=CCC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-]	ZINC000909160367	691788021	/nfs/dbraw/zinc/78/80/21/691788021.db2.gz	ZXMAZVVSEYESCJ-NSHDSACASA-N	-2	3	357.204	2.373	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000595998998	939803130	/nfs/dbraw/zinc/80/31/30/939803130.db2.gz	GVCUYMFNBDFWJI-HXUWFJFHSA-N	-2	3	367.405	2.325	20	30		FEEDHL
C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1[O-]	ZINC000011241203	539525879	/nfs/dbraw/zinc/52/58/79/539525879.db2.gz	HVKSHWOBRRJMBG-UHFFFAOYSA-N	-2	3	362.407	2.117	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c1	ZINC000321364131	553766201	/nfs/dbraw/zinc/76/62/01/553766201.db2.gz	YSUUHTUASBCHGI-AWEZNQCLSA-N	-2	3	350.783	2.316	20	30		FEEDHL
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000443420182	560083577	/nfs/dbraw/zinc/08/35/77/560083577.db2.gz	SQFJRDVABFTYNT-UHFFFAOYSA-N	-2	3	356.403	2.490	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1	ZINC000556774540	674419071	/nfs/dbraw/zinc/41/90/71/674419071.db2.gz	LSJWACDXZAVIBM-QMMMGPOBSA-N	-2	3	370.736	2.143	20	30		FEEDHL
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2CC#N)c1F	ZINC000558038413	674480809	/nfs/dbraw/zinc/48/08/09/674480809.db2.gz	YXRRWQXXSPEGTD-UHFFFAOYSA-N	-2	3	364.354	2.399	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000738229111	600601886	/nfs/dbraw/zinc/60/18/86/600601886.db2.gz	GSUNPZISYQABSL-SFHVURJKSA-N	-2	3	367.405	2.493	20	30		FEEDHL
CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739342709	602513198	/nfs/dbraw/zinc/51/31/98/602513198.db2.gz	GNQJLPDVAIPXEK-CQSZACIVSA-N	-2	3	374.441	2.199	20	30		FEEDHL
C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1	ZINC000730996584	673297863	/nfs/dbraw/zinc/29/78/63/673297863.db2.gz	SRLSZEXQWLNDCP-UHFFFAOYSA-N	-2	3	361.375	2.212	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)ccc1Cl	ZINC000164392839	327069338	/nfs/dbraw/zinc/06/93/38/327069338.db2.gz	SHTGHCWQGFUAKB-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)ccc1Cl	ZINC000164392839	327069340	/nfs/dbraw/zinc/06/93/40/327069340.db2.gz	SHTGHCWQGFUAKB-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000541000272	562600023	/nfs/dbraw/zinc/60/00/23/562600023.db2.gz	FHPWRKJETPFKEH-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
Cc1ccc(F)c2c1C(=N[N-]c1oc(C(C)C)nc1-c1nnn[n-]1)C(=O)N2	ZINC000737344127	598761880	/nfs/dbraw/zinc/76/18/80/598761880.db2.gz	AZVPABABRSFALA-UHFFFAOYSA-N	-2	3	370.348	2.194	20	30		FEEDHL
Cc1ncc(CO)c(/C=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1[O-]	ZINC000738885354	600153747	/nfs/dbraw/zinc/15/37/47/600153747.db2.gz	LFJCKDZABSCVNF-KCBMDGGTSA-N	-2	3	353.378	2.184	20	30		FEEDHL
N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833960924	606012742	/nfs/dbraw/zinc/01/27/42/606012742.db2.gz	MURAHLQGNBLYMU-JTQLQIEISA-N	-2	3	359.729	2.181	20	30		FEEDHL
C=CCOC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-]	ZINC000583141100	672067096	/nfs/dbraw/zinc/06/70/96/672067096.db2.gz	WLKDZXFDGZWIBK-GFCCVEGCSA-N	-2	3	373.814	2.329	20	30		FEEDHL
C=CCCS(=O)(=O)[N-]c1cc(I)ccc1[O-]	ZINC000611291239	676030111	/nfs/dbraw/zinc/03/01/11/676030111.db2.gz	HQIPUGSXSJOBBC-UHFFFAOYSA-N	-2	3	353.181	2.315	20	30		FEEDHL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000593256199	672899139	/nfs/dbraw/zinc/89/91/39/672899139.db2.gz	FOTPDOMLDVFNAJ-SNVBAGLBSA-N	-2	3	373.406	2.061	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)ccc1Cl	ZINC000486839619	561357877	/nfs/dbraw/zinc/35/78/77/561357877.db2.gz	VTGGDBNNGXGNAY-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)ccc1Cl	ZINC000486839619	561357878	/nfs/dbraw/zinc/35/78/78/561357878.db2.gz	VTGGDBNNGXGNAY-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c1	ZINC000391703251	558614761	/nfs/dbraw/zinc/61/47/61/558614761.db2.gz	CIXHTJOVSACKAU-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000460820595	560752715	/nfs/dbraw/zinc/75/27/15/560752715.db2.gz	OOQJUXAWXWCFNJ-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(=O)[O-])c1cccc(F)c1	ZINC000832842935	601143999	/nfs/dbraw/zinc/14/39/99/601143999.db2.gz	MNBHQOCWZRMUSS-UHFFFAOYSA-N	-2	3	371.368	2.465	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c([O-])c1	ZINC000821769584	606856831	/nfs/dbraw/zinc/85/68/31/606856831.db2.gz	IOHMTFJBMFRZTQ-CLTKARDFSA-N	-2	3	352.350	2.486	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c([O-])c1	ZINC000821769584	606856833	/nfs/dbraw/zinc/85/68/33/606856833.db2.gz	IOHMTFJBMFRZTQ-CLTKARDFSA-N	-2	3	352.350	2.486	20	30		FEEDHL
O=C([O-])COc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826461353	609474875	/nfs/dbraw/zinc/47/48/75/609474875.db2.gz	QZWQQYSLCLZOGX-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
O=C([O-])COc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826461353	609474877	/nfs/dbraw/zinc/47/48/77/609474877.db2.gz	QZWQQYSLCLZOGX-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
O=c1[n-][n-]c(=O)n1N=Cc1csc(COc2ccc(Cl)cc2)n1	ZINC000814232905	674827866	/nfs/dbraw/zinc/82/78/66/674827866.db2.gz	RGLJVKLYRKNCAX-UHFFFAOYSA-N	-2	3	351.775	2.260	20	30		FEEDHL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-]	ZINC000540499240	673543371	/nfs/dbraw/zinc/54/33/71/673543371.db2.gz	XBKXORUKPVCVDE-UHFFFAOYSA-N	-2	3	362.407	2.117	20	30		FEEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F	ZINC000853072003	682371966	/nfs/dbraw/zinc/37/19/66/682371966.db2.gz	XEEDVQNTKLTELV-MRVPVSSYSA-N	-2	3	368.308	2.019	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F	ZINC000551997206	674180119	/nfs/dbraw/zinc/18/01/19/674180119.db2.gz	VFOLYNUGTKAXSK-ZETCQYMHSA-N	-2	3	370.736	2.143	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1	ZINC000516379788	562041378	/nfs/dbraw/zinc/04/13/78/562041378.db2.gz	XGWQRGNPWRYHBE-CYBMUJFWSA-N	-2	3	364.810	2.358	20	30		FEEDHL
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000518293369	562108043	/nfs/dbraw/zinc/10/80/43/562108043.db2.gz	WASXRJSJHDORHD-UHFFFAOYSA-N	-2	3	369.402	2.172	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000527052328	562274800	/nfs/dbraw/zinc/27/48/00/562274800.db2.gz	YUYNFNPDHPCPOD-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000530338970	562407487	/nfs/dbraw/zinc/40/74/87/562407487.db2.gz	BWAHMCRRYFYTCA-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(C#N)c([O-])c1	ZINC000568927381	568253120	/nfs/dbraw/zinc/25/31/20/568253120.db2.gz	JMRPJRPPQATISF-UHFFFAOYSA-N	-2	3	353.769	2.387	20	30		FEEDHL
Cc1c(C(=O)[O-])oc2c1C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCC2	ZINC000822020394	607254645	/nfs/dbraw/zinc/25/46/45/607254645.db2.gz	BWNGTZSEFLZKLA-UHFFFAOYSA-N	-2	3	366.381	2.297	20	30		FEEDHL
Cc1c(C(=O)[O-])oc2c1C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCC2	ZINC000822020394	607254646	/nfs/dbraw/zinc/25/46/46/607254646.db2.gz	BWNGTZSEFLZKLA-UHFFFAOYSA-N	-2	3	366.381	2.297	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000832842809	601734938	/nfs/dbraw/zinc/73/49/38/601734938.db2.gz	KFEPWNAAMCVVSW-QGZVFWFLSA-N	-2	3	371.368	2.290	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1	ZINC000740028336	602410521	/nfs/dbraw/zinc/41/05/21/602410521.db2.gz	OETIUTUPXREXEY-LBPRGKRZSA-N	-2	3	374.441	2.103	20	30		FEEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000864449987	683855104	/nfs/dbraw/zinc/85/51/04/683855104.db2.gz	ZMBVCODFMKTFTD-ZETCQYMHSA-N	-2	3	354.247	2.208	20	30		FEEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000864453052	683855147	/nfs/dbraw/zinc/85/51/47/683855147.db2.gz	WDPMOUXGZPMKMK-JTQLQIEISA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c(Cl)c1	ZINC000326381935	553780673	/nfs/dbraw/zinc/78/06/73/553780673.db2.gz	YMXOYCGWQOYFTJ-UHFFFAOYSA-N	-2	3	364.810	2.317	20	30		FEEDHL
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000392284793	558616885	/nfs/dbraw/zinc/61/68/85/558616885.db2.gz	XIPIYRKPBFTMPC-RNCFNFMXSA-N	-2	3	374.846	2.147	20	30		FEEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-]	ZINC000541931637	562623773	/nfs/dbraw/zinc/62/37/73/562623773.db2.gz	CLEHWZIRJMCOSO-SNVBAGLBSA-N	-2	3	350.223	2.447	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-]	ZINC000806634668	674384563	/nfs/dbraw/zinc/38/45/63/674384563.db2.gz	KJCFDKVTUNYOSR-VIFPVBQESA-N	-2	3	371.308	2.422	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([O-])c(F)c1	ZINC000737804365	599464044	/nfs/dbraw/zinc/46/40/44/599464044.db2.gz	AVLVZEVOSBUECK-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([O-])c(F)c1	ZINC000737804365	599464046	/nfs/dbraw/zinc/46/40/46/599464046.db2.gz	AVLVZEVOSBUECK-HWKANZROSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([O-])c(F)c1	ZINC000737804369	599464052	/nfs/dbraw/zinc/46/40/52/599464052.db2.gz	AVLVZEVOSBUECK-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([O-])c(F)c1	ZINC000737804369	599464056	/nfs/dbraw/zinc/46/40/56/599464056.db2.gz	AVLVZEVOSBUECK-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000738229134	599806700	/nfs/dbraw/zinc/80/67/00/599806700.db2.gz	HUQRXUZYQZUUAR-KRWDZBQOSA-N	-2	3	367.405	2.020	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000829820793	603493565	/nfs/dbraw/zinc/49/35/65/603493565.db2.gz	IYMKQNULXADOJG-SWLSCSKDSA-N	-2	3	361.398	2.188	20	30		FEEDHL
CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C(=O)[O-])cc1	ZINC000823954053	608538192	/nfs/dbraw/zinc/53/81/92/608538192.db2.gz	WZOROHPVYHWNGL-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C(=O)[O-])cc1	ZINC000823954053	608538194	/nfs/dbraw/zinc/53/81/94/608538194.db2.gz	WZOROHPVYHWNGL-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(I)ccc1[O-]	ZINC000591339152	672673070	/nfs/dbraw/zinc/67/30/70/672673070.db2.gz	RMGYKROSURBCIY-MRVPVSSYSA-N	-2	3	366.180	2.041	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)ccc1Cl	ZINC000826384201	675687612	/nfs/dbraw/zinc/68/76/12/675687612.db2.gz	LDVMHDIDVHFAMP-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
C=CCCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000903058435	690839951	/nfs/dbraw/zinc/83/99/51/690839951.db2.gz	GTWADYYDQGVBBN-SNVBAGLBSA-N	-2	3	352.334	2.188	20	30		FEEDHL
CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000262665079	328879663	/nfs/dbraw/zinc/87/96/63/328879663.db2.gz	MZFFJLLUZYSHCT-SNVBAGLBSA-N	-2	3	350.318	2.109	20	30		FEEDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000275006706	330001363	/nfs/dbraw/zinc/00/13/63/330001363.db2.gz	PDPZNNMUROOADB-SECBINFHSA-N	-2	3	364.345	2.356	20	30		FEEDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000261876155	549764713	/nfs/dbraw/zinc/76/47/13/549764713.db2.gz	SDEHAEZTNGGIQJ-LLVKDONJSA-N	-2	3	364.345	2.355	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)n1	ZINC000377173664	558281631	/nfs/dbraw/zinc/28/16/31/558281631.db2.gz	ACZRWTYDZVWXOX-UHFFFAOYSA-N	-2	3	356.363	2.011	20	30		FEEDHL
O=C([O-])N[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2ccccc21	ZINC000834157681	680205521	/nfs/dbraw/zinc/20/55/21/680205521.db2.gz	KZIQMXYFCJQNOI-OAHLLOKOSA-N	-2	3	359.407	2.223	20	30		FEEDHL
C#CCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000871916017	684880389	/nfs/dbraw/zinc/88/03/89/684880389.db2.gz	HDAMKITXXSKIOF-UHFFFAOYSA-N	-2	3	366.258	2.291	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c1	ZINC000325256689	553775871	/nfs/dbraw/zinc/77/58/71/553775871.db2.gz	IKDQYUZAMQZBAZ-UHFFFAOYSA-N	-2	3	364.810	2.317	20	30		FEEDHL
COc1ccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000826195731	607527467	/nfs/dbraw/zinc/52/74/67/607527467.db2.gz	DHKJMNVRYWFUII-MFOYZWKCSA-N	-2	3	354.326	2.108	20	30		FEEDHL
COc1ccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000826195731	607527468	/nfs/dbraw/zinc/52/74/68/607527468.db2.gz	DHKJMNVRYWFUII-MFOYZWKCSA-N	-2	3	354.326	2.108	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(NC(=O)[O-])CCCCC1	ZINC000740028808	601861476	/nfs/dbraw/zinc/86/14/76/601861476.db2.gz	ZFPOYCCWJPVWAJ-UHFFFAOYSA-N	-2	3	374.441	2.295	20	30		FEEDHL
C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000825711035	601862978	/nfs/dbraw/zinc/86/29/78/601862978.db2.gz	MFOFTLYWJWYQGD-VIFPVBQESA-N	-2	3	350.400	2.176	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CNC(=O)[O-])CC(C)C	ZINC000740028505	602454781	/nfs/dbraw/zinc/45/47/81/602454781.db2.gz	SBQPYQTZAXSKOB-ZDUSSCGKSA-N	-2	3	362.430	2.007	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-]	ZINC000829821415	603660507	/nfs/dbraw/zinc/66/05/07/603660507.db2.gz	RLIBXVVCXKIUCZ-MEDUHNTESA-N	-2	3	374.441	2.103	20	30		FEEDHL
CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(F)c([O-])c(F)c2)o1	ZINC000820107782	606623022	/nfs/dbraw/zinc/62/30/22/606623022.db2.gz	BTLUEPFGNMFOGO-UHFFFAOYSA-N	-2	3	363.328	2.483	20	30		FEEDHL
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c([O-])c(F)c2)o1	ZINC000820107782	606623024	/nfs/dbraw/zinc/62/30/24/606623024.db2.gz	BTLUEPFGNMFOGO-UHFFFAOYSA-N	-2	3	363.328	2.483	20	30		FEEDHL
COc1ccc(-c2nc(SCCCC#N)[n-]c(=O)c2-c2nn[n-]n2)cc1	ZINC000821731904	607236802	/nfs/dbraw/zinc/23/68/02/607236802.db2.gz	IMZWQNZTMLRTGT-UHFFFAOYSA-N	-2	3	369.410	2.434	20	30		FEEDHL
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000826386172	609523967	/nfs/dbraw/zinc/52/39/67/609523967.db2.gz	SFMCKFZNSKASHZ-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000826386172	609523969	/nfs/dbraw/zinc/52/39/69/609523969.db2.gz	SFMCKFZNSKASHZ-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000823861957	609524864	/nfs/dbraw/zinc/52/48/64/609524864.db2.gz	VCCMDAMRAVUTFB-UHFFFAOYSA-N	-2	3	359.798	2.302	20	30		FEEDHL
C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000823861957	609524867	/nfs/dbraw/zinc/52/48/67/609524867.db2.gz	VCCMDAMRAVUTFB-UHFFFAOYSA-N	-2	3	359.798	2.302	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000577265039	671583423	/nfs/dbraw/zinc/58/34/23/671583423.db2.gz	RMFVYADOZZBJKB-SECBINFHSA-N	-2	3	366.208	2.286	20	30		FEEDHL
COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCC(C)(C)C#N	ZINC000600662163	673788036	/nfs/dbraw/zinc/78/80/36/673788036.db2.gz	HDUOXHQBDDDROW-UHFFFAOYSA-N	-2	3	370.427	2.092	20	30		FEEDHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-]	ZINC000863420818	683721777	/nfs/dbraw/zinc/72/17/77/683721777.db2.gz	SFPGUEXXVXPLHK-MRVPVSSYSA-N	-2	3	373.736	2.301	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000154023288	544854054	/nfs/dbraw/zinc/85/40/54/544854054.db2.gz	UCMOXUNHPRVTMK-UHFFFAOYSA-N	-2	3	356.338	2.049	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000326206690	553779678	/nfs/dbraw/zinc/77/96/78/553779678.db2.gz	WUMZSSQMJDDQGQ-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000460828685	560752803	/nfs/dbraw/zinc/75/28/03/560752803.db2.gz	CHHSUJUQMYUNJY-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1	ZINC000823387595	606389788	/nfs/dbraw/zinc/38/97/88/606389788.db2.gz	QABQCVSTULLMQV-XQRVVYSFSA-N	-2	3	356.363	2.288	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1[O-]	ZINC000822935750	606859557	/nfs/dbraw/zinc/85/95/57/606859557.db2.gz	MYVAUUONWKLNNC-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1[O-]	ZINC000822935750	606859558	/nfs/dbraw/zinc/85/95/58/606859558.db2.gz	MYVAUUONWKLNNC-HYXAFXHYSA-N	-2	3	350.313	2.255	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1Cl	ZINC000826386259	608107862	/nfs/dbraw/zinc/10/78/62/608107862.db2.gz	WKGGYBGUVXEQIT-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000567580073	675303644	/nfs/dbraw/zinc/30/36/44/675303644.db2.gz	PYUKLTBDSRMMJJ-SSDOTTSWSA-N	-2	3	354.247	2.208	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1	ZINC000551915367	674172508	/nfs/dbraw/zinc/17/25/08/674172508.db2.gz	JZKDNYROAGPXHJ-QMMMGPOBSA-N	-2	3	370.736	2.143	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)[C@H]1CCCN1C(=O)[O-]	ZINC000829820957	603595053	/nfs/dbraw/zinc/59/50/53/603595053.db2.gz	LKCOPZJLXXFUJM-IUODEOHRSA-N	-2	3	361.398	2.282	20	30		FEEDHL
COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(=O)[O-])o2)cc1	ZINC000829442172	604222112	/nfs/dbraw/zinc/22/21/12/604222112.db2.gz	KLULRTUVHCEQJM-CYBMUJFWSA-N	-2	3	357.322	2.017	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832842750	604732854	/nfs/dbraw/zinc/73/28/54/604732854.db2.gz	HPAMFQITYRWZGN-UHFFFAOYSA-N	-2	3	374.422	2.321	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826461131	608878350	/nfs/dbraw/zinc/87/83/50/608878350.db2.gz	HLTBHJJMRQLHCE-ALCCZGGFSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826461131	608878355	/nfs/dbraw/zinc/87/83/55/608878355.db2.gz	HLTBHJJMRQLHCE-ALCCZGGFSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000826461374	609272796	/nfs/dbraw/zinc/27/27/96/609272796.db2.gz	RMMVGGLHNOEXAF-QPJJXVBHSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000826461374	609272799	/nfs/dbraw/zinc/27/27/99/609272799.db2.gz	RMMVGGLHNOEXAF-QPJJXVBHSA-N	-2	3	368.324	2.365	20	30		FEEDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1CC(=O)[O-]	ZINC000539238976	673480333	/nfs/dbraw/zinc/48/03/33/673480333.db2.gz	LDWRWEPOSLJOSO-UHFFFAOYSA-N	-2	3	364.354	2.134	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000551997205	674179989	/nfs/dbraw/zinc/17/99/89/674179989.db2.gz	VFOLYNUGTKAXSK-SSDOTTSWSA-N	-2	3	370.736	2.143	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1	ZINC000183089902	547600535	/nfs/dbraw/zinc/60/05/35/547600535.db2.gz	CMXGNRJXAFRFMA-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1	ZINC000183089902	547600538	/nfs/dbraw/zinc/60/05/38/547600538.db2.gz	CMXGNRJXAFRFMA-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000183911164	547738478	/nfs/dbraw/zinc/73/84/78/547738478.db2.gz	HZPXXKGWCBDZKK-UHFFFAOYSA-N	-2	3	356.338	2.049	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c1	ZINC000317129318	553761617	/nfs/dbraw/zinc/76/16/17/553761617.db2.gz	DGWSKXPQAUCBTJ-LBPRGKRZSA-N	-2	3	356.812	2.377	20	30		FEEDHL
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-]	ZINC000321874789	553767624	/nfs/dbraw/zinc/76/76/24/553767624.db2.gz	PELNXCBVAAGNOA-UHFFFAOYSA-N	-2	3	371.827	2.153	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c1	ZINC000325199372	553775376	/nfs/dbraw/zinc/77/53/76/553775376.db2.gz	HFCSEVOXOZAFFA-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000530338969	562407365	/nfs/dbraw/zinc/40/73/65/562407365.db2.gz	BWAHMCRRYFYTCA-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F	ZINC000825660081	601806604	/nfs/dbraw/zinc/80/66/04/601806604.db2.gz	RJYCOSVCTVSHJV-ZCFIWIBFSA-N	-2	3	352.181	2.139	20	30		FEEDHL
Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000826278640	607536037	/nfs/dbraw/zinc/53/60/37/607536037.db2.gz	MOLYZXAIINMTEK-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cn1C	ZINC000822010055	606406124	/nfs/dbraw/zinc/40/61/24/606406124.db2.gz	LNULLBMITYVNMS-CYBMUJFWSA-N	-2	3	373.376	2.200	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cn1C	ZINC000822010055	606406125	/nfs/dbraw/zinc/40/61/25/606406125.db2.gz	LNULLBMITYVNMS-CYBMUJFWSA-N	-2	3	373.376	2.200	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1	ZINC000826461187	609132781	/nfs/dbraw/zinc/13/27/81/609132781.db2.gz	JSWFAKXXHHXGOE-QPJJXVBHSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1	ZINC000826461187	609132782	/nfs/dbraw/zinc/13/27/82/609132782.db2.gz	JSWFAKXXHHXGOE-QPJJXVBHSA-N	-2	3	368.324	2.365	20	30		FEEDHL
COc1ccccc1Nc1nc(Cl)c(C=Nn2c(=O)[n-][n-]c2=O)s1	ZINC000814233374	674827896	/nfs/dbraw/zinc/82/78/96/674827896.db2.gz	MUHPVZJEUAYZPE-UHFFFAOYSA-N	-2	3	366.790	2.434	20	30		FEEDHL
N#Cc1cccc(CS(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1	ZINC000548550125	673969849	/nfs/dbraw/zinc/96/98/49/673969849.db2.gz	SWWCNCTZGSEYII-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823893887	675575766	/nfs/dbraw/zinc/57/57/66/675575766.db2.gz	AOLWQOWKZYPKHN-SECBINFHSA-N	-2	3	357.386	2.168	20	30		FEEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-]	ZINC000663285284	678713631	/nfs/dbraw/zinc/71/36/31/678713631.db2.gz	FMXUTUQKUQABMQ-CYBMUJFWSA-N	-2	3	364.448	2.263	20	30		FEEDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000275006708	330001507	/nfs/dbraw/zinc/00/15/07/330001507.db2.gz	PDPZNNMUROOADB-VIFPVBQESA-N	-2	3	364.345	2.356	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(C(F)(F)F)c1	ZINC000284973091	551680782	/nfs/dbraw/zinc/68/07/82/551680782.db2.gz	FMBLNSUPHLVPSW-NSHDSACASA-N	-2	3	362.329	2.109	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-]	ZINC000517229276	562081018	/nfs/dbraw/zinc/08/10/18/562081018.db2.gz	KKQBFJKWBARIGZ-VIFPVBQESA-N	-2	3	353.318	2.125	20	30		FEEDHL
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1OCC(=O)[O-]	ZINC000431186406	559835582	/nfs/dbraw/zinc/83/55/82/559835582.db2.gz	GYHSMUSIFYMBCD-UHFFFAOYSA-N	-2	3	360.391	2.439	20	30		FEEDHL
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c([O-])cccc2[O-])n1	ZINC000436773568	559951517	/nfs/dbraw/zinc/95/15/17/559951517.db2.gz	SDZSVAOFCURPOE-UHFFFAOYSA-N	-2	3	354.753	3.061	20	30		FEEDHL
N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833960927	606012821	/nfs/dbraw/zinc/01/28/21/606012821.db2.gz	MURAHLQGNBLYMU-SNVBAGLBSA-N	-2	3	359.729	2.181	20	30		FEEDHL
N#Cc1cc(F)ccc1CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000559642976	674551624	/nfs/dbraw/zinc/55/16/24/674551624.db2.gz	ZYXGLPGGJMTDFS-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000826191089	607982898	/nfs/dbraw/zinc/98/28/98/607982898.db2.gz	WQWVJTDVAKKPAO-DJWKRKHSSA-N	-2	3	367.321	2.385	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000826191089	607982899	/nfs/dbraw/zinc/98/28/99/607982899.db2.gz	WQWVJTDVAKKPAO-DJWKRKHSSA-N	-2	3	367.321	2.385	20	30		FEEDHL
COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc([N+](=O)[O-])c1[O-]	ZINC000826179059	608093390	/nfs/dbraw/zinc/09/33/90/608093390.db2.gz	XJQPBSXHCNHDFT-NSCUHMNNSA-N	-2	3	373.350	2.447	20	30		FEEDHL
COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1[O-]	ZINC000826179059	608093391	/nfs/dbraw/zinc/09/33/91/608093391.db2.gz	XJQPBSXHCNHDFT-NSCUHMNNSA-N	-2	3	373.350	2.447	20	30		FEEDHL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1	ZINC000545294123	673757181	/nfs/dbraw/zinc/75/71/81/673757181.db2.gz	VRTJACGAGRXFNN-UHFFFAOYSA-N	-2	3	361.379	2.032	20	30		FEEDHL
CCOc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000790409617	682674430	/nfs/dbraw/zinc/67/44/30/682674430.db2.gz	RSBBXIOPMVFNDH-UHFFFAOYSA-N	-2	3	363.351	2.372	20	30		FEEDHL
C=CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000280665840	551019150	/nfs/dbraw/zinc/01/91/50/551019150.db2.gz	OVXQADWZMQMOLO-UHFFFAOYSA-N	-2	3	354.247	2.453	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000527300880	562284479	/nfs/dbraw/zinc/28/44/79/562284479.db2.gz	CLMFTVYUSWOFEK-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
O=C([O-])c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1	ZINC000738216295	599462090	/nfs/dbraw/zinc/46/20/90/599462090.db2.gz	XINZHHIOZDVJFH-NSCUHMNNSA-N	-2	3	366.362	2.170	20	30		FEEDHL
O=C([O-])c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1	ZINC000738216295	599462092	/nfs/dbraw/zinc/46/20/92/599462092.db2.gz	XINZHHIOZDVJFH-NSCUHMNNSA-N	-2	3	366.362	2.170	20	30		FEEDHL
Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c(Br)c2)c(=O)o1	ZINC000119862526	671911121	/nfs/dbraw/zinc/91/11/21/671911121.db2.gz	MAWLXBGGBPGXJC-LYKUJDHUSA-N	-2	3	351.152	2.383	20	30		FEEDHL
CC1=CC(=O)C(=C([O-])C=Cc2ccc([O-])c(Br)c2)C(=O)O1	ZINC000119862526	671911125	/nfs/dbraw/zinc/91/11/25/671911125.db2.gz	MAWLXBGGBPGXJC-LYKUJDHUSA-N	-2	3	351.152	2.383	20	30		FEEDHL
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1	ZINC000730996260	673297478	/nfs/dbraw/zinc/29/74/78/673297478.db2.gz	JXAHGVOBTZCQTI-UHFFFAOYSA-N	-2	3	361.375	2.212	20	30		FEEDHL
O=C([O-])c1ccc(N=NCc2cc(O)c([O-])c(Br)c2)nc1	ZINC000763369819	680781289	/nfs/dbraw/zinc/78/12/89/680781289.db2.gz	XZGXWHORIFYWOZ-UHFFFAOYSA-N	-2	3	352.144	2.400	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1	ZINC000047328430	540303819	/nfs/dbraw/zinc/30/38/19/540303819.db2.gz	LSKNZWBEIHEACL-UHFFFAOYSA-N	-2	3	366.402	2.418	20	30		FEEDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(=O)[O-]	ZINC000275063255	330006681	/nfs/dbraw/zinc/00/66/81/330006681.db2.gz	VBQYIMOEZCMSIL-SECBINFHSA-N	-2	3	364.345	2.356	20	30		FEEDHL
O=C([O-])c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1	ZINC000738216294	599461751	/nfs/dbraw/zinc/46/17/51/599461751.db2.gz	XINZHHIOZDVJFH-IHWYPQMZSA-N	-2	3	366.362	2.170	20	30		FEEDHL
O=C([O-])c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1	ZINC000738216294	599461754	/nfs/dbraw/zinc/46/17/54/599461754.db2.gz	XINZHHIOZDVJFH-IHWYPQMZSA-N	-2	3	366.362	2.170	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000738229557	600224014	/nfs/dbraw/zinc/22/40/14/600224014.db2.gz	KNGNDYKBYMKBEL-INIZCTEOSA-N	-2	3	365.389	2.423	20	30		FEEDHL
CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ncc(C(=O)[O-])s1	ZINC000737054177	601111635	/nfs/dbraw/zinc/11/16/35/601111635.db2.gz	ZLWNXXFMMPXXKK-UHFFFAOYSA-N	-2	3	374.422	2.416	20	30		FEEDHL
CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC(=O)[O-])c1	ZINC000819772183	606856132	/nfs/dbraw/zinc/85/61/32/606856132.db2.gz	ADYRIQZESZAHJV-UHFFFAOYSA-N	-2	3	352.354	2.166	20	30		FEEDHL
CCOc1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc(Cl)c1[O-]	ZINC000255388456	672890014	/nfs/dbraw/zinc/89/00/14/672890014.db2.gz	KAOCSNYTRBMZTP-PLNGDYQASA-N	-2	3	350.758	2.140	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000567580074	675303584	/nfs/dbraw/zinc/30/35/84/675303584.db2.gz	PYUKLTBDSRMMJJ-ZETCQYMHSA-N	-2	3	354.247	2.208	20	30		FEEDHL
C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000120189409	543677149	/nfs/dbraw/zinc/67/71/49/543677149.db2.gz	CBEGZTSCJGPHJG-UHFFFAOYSA-N	-2	3	372.390	2.395	20	30		FEEDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274987877	329999707	/nfs/dbraw/zinc/99/97/07/329999707.db2.gz	MJLWXPRTNNLMBH-SECBINFHSA-N	-2	3	364.345	2.499	20	30		FEEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(=O)[O-]	ZINC000274997217	330000582	/nfs/dbraw/zinc/00/05/82/330000582.db2.gz	LJSCGPDLOITWBR-UHFFFAOYSA-N	-2	3	364.345	2.356	20	30		FEEDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000261727959	549748879	/nfs/dbraw/zinc/74/88/79/549748879.db2.gz	SDEHAEZTNGGIQJ-NSHDSACASA-N	-2	3	364.345	2.355	20	30		FEEDHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1	ZINC000282149853	551186924	/nfs/dbraw/zinc/18/69/24/551186924.db2.gz	KCQDCRYZMOSLBX-UHFFFAOYSA-N	-2	3	354.403	2.441	20	30		FEEDHL
C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000283991323	551463457	/nfs/dbraw/zinc/46/34/57/551463457.db2.gz	OUCITLFZDNIPAV-RNCFNFMXSA-N	-2	3	374.846	2.147	20	30		FEEDHL
Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1C#N	ZINC000391832783	558615146	/nfs/dbraw/zinc/61/51/46/558615146.db2.gz	PEQAGFGGFFKOCF-UHFFFAOYSA-N	-2	3	351.771	2.414	20	30		FEEDHL
C=C(CC)C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000452047452	560347897	/nfs/dbraw/zinc/34/78/97/560347897.db2.gz	YGQZEGMTEYAGRV-UHFFFAOYSA-N	-2	3	364.464	2.222	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1C(=O)[O-]	ZINC000541001337	562600075	/nfs/dbraw/zinc/60/00/75/562600075.db2.gz	WJLLCULEALNROW-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
C=C(C)CN(CC)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000736094988	600143690	/nfs/dbraw/zinc/14/36/90/600143690.db2.gz	BQBPIVQPOCMGEH-UHFFFAOYSA-N	-2	3	354.834	2.357	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000829820496	604238440	/nfs/dbraw/zinc/23/84/40/604238440.db2.gz	CUCJLWCIXOMQLA-TZMCWYRMSA-N	-2	3	374.441	2.103	20	30		FEEDHL
COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc([N+](=O)[O-])c1[O-]	ZINC000826179058	608093516	/nfs/dbraw/zinc/09/35/16/608093516.db2.gz	XJQPBSXHCNHDFT-IHWYPQMZSA-N	-2	3	373.350	2.447	20	30		FEEDHL
COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1[O-]	ZINC000826179058	608093517	/nfs/dbraw/zinc/09/35/17/608093517.db2.gz	XJQPBSXHCNHDFT-IHWYPQMZSA-N	-2	3	373.350	2.447	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000560492959	674594416	/nfs/dbraw/zinc/59/44/16/674594416.db2.gz	MFLWEVLFVFIEIV-MRVPVSSYSA-N	-2	3	366.208	2.286	20	30		FEEDHL
CCN(CC)c1ccnc([N-]N=C2C(=O)Nc3cc([O-])c(Cl)cc32)n1	ZINC000853318022	682405183	/nfs/dbraw/zinc/40/51/83/682405183.db2.gz	JCOBECCCSAJVTJ-UHFFFAOYSA-N	-2	3	360.805	2.450	20	30		FEEDHL
O=[N+]([O-])c1cc(Cl)cc(C=N[N-]S(=O)(=O)Cc2ccccc2)c1[O-]	ZINC000920387485	683338144	/nfs/dbraw/zinc/33/81/44/683338144.db2.gz	PYTPLWQRBRBJHZ-UHFFFAOYSA-N	-2	3	369.786	2.407	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1F	ZINC000291940806	552676930	/nfs/dbraw/zinc/67/69/30/552676930.db2.gz	YBBUUTGVQCVCGR-SECBINFHSA-N	-2	3	368.308	2.019	20	30		FEEDHL
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000469083614	560946828	/nfs/dbraw/zinc/94/68/28/560946828.db2.gz	XRMMKXUACDPVMJ-UHFFFAOYSA-N	-3	3	361.379	2.195	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000567988846	601617722	/nfs/dbraw/zinc/61/77/22/601617722.db2.gz	QDSMZBGVWAGVMM-UHFFFAOYSA-N	-2	3	353.378	2.474	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000740028267	602802784	/nfs/dbraw/zinc/80/27/84/602802784.db2.gz	LMHOFJPTSWLZPK-CJNGLKHVSA-N	-2	3	374.441	2.151	20	30		FEEDHL
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826386973	675687776	/nfs/dbraw/zinc/68/77/76/675687776.db2.gz	AKCTTWOMHSQFFE-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-]	ZINC000775675682	681322893	/nfs/dbraw/zinc/32/28/93/681322893.db2.gz	IDFYOVONMFDNEL-UHFFFAOYSA-N	-2	3	351.355	2.353	20	30		FEEDHL
C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-]	ZINC000502743102	561624244	/nfs/dbraw/zinc/62/42/44/561624244.db2.gz	IBNOSWSHSQJTCU-UHFFFAOYSA-N	-2	3	362.407	2.117	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl	ZINC000530424826	562410629	/nfs/dbraw/zinc/41/06/29/562410629.db2.gz	BPDPWIWYQCGIAK-CQSZACIVSA-N	-2	3	368.773	2.455	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-c2nnn[n-]2)nc1	ZINC000737200036	599149844	/nfs/dbraw/zinc/14/98/44/599149844.db2.gz	RSMZAMDVBDZOKY-ZDUSSCGKSA-N	-2	3	371.360	2.257	20	30		FEEDHL
CSc1[n-]c(=O)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C#N	ZINC000821977279	607325309	/nfs/dbraw/zinc/32/53/09/607325309.db2.gz	FIPBPGXLBBKNHE-UHFFFAOYSA-N	-2	3	367.394	2.122	20	30		FEEDHL
CSc1[n-]c(=O)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C#N	ZINC000821977279	607325310	/nfs/dbraw/zinc/32/53/10/607325310.db2.gz	FIPBPGXLBBKNHE-UHFFFAOYSA-N	-2	3	367.394	2.122	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-]	ZINC000829821414	603660518	/nfs/dbraw/zinc/66/05/18/603660518.db2.gz	RLIBXVVCXKIUCZ-BZNIZROVSA-N	-2	3	374.441	2.103	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000826461373	609271100	/nfs/dbraw/zinc/27/11/00/609271100.db2.gz	RMMVGGLHNOEXAF-DAXSKMNVSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000826461373	609271101	/nfs/dbraw/zinc/27/11/01/609271101.db2.gz	RMMVGGLHNOEXAF-DAXSKMNVSA-N	-2	3	368.324	2.365	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-]	ZINC000798409444	683343785	/nfs/dbraw/zinc/34/37/85/683343785.db2.gz	ZDLCONHVGPNGRK-SECBINFHSA-N	-2	3	366.208	2.286	20	30		FEEDHL
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1	ZINC000131517579	544193290	/nfs/dbraw/zinc/19/32/90/544193290.db2.gz	MHALZEWQCNQWEH-UHFFFAOYSA-N	-2	3	350.371	2.248	20	30		FEEDHL
CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000262665074	328879555	/nfs/dbraw/zinc/87/95/55/328879555.db2.gz	MZFFJLLUZYSHCT-JTQLQIEISA-N	-2	3	350.318	2.109	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000499142711	561544473	/nfs/dbraw/zinc/54/44/73/561544473.db2.gz	HDLVXYZKCBGIQI-UHFFFAOYSA-N	-2	3	363.381	2.027	20	30		FEEDHL
Cc1ncc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1C#N	ZINC000391872741	558615329	/nfs/dbraw/zinc/61/53/29/558615329.db2.gz	KUFPFXPAAFNFET-UHFFFAOYSA-N	-2	3	351.771	2.414	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1	ZINC000535497864	562559912	/nfs/dbraw/zinc/55/99/12/562559912.db2.gz	MEVVSQIJFCMNLM-UHFFFAOYSA-N	-2	3	350.783	2.388	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000738230201	599719132	/nfs/dbraw/zinc/71/91/32/599719132.db2.gz	OXPQJHNDIYBNSS-UHFFFAOYSA-N	-2	3	355.350	2.251	20	30		FEEDHL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1	ZINC000826281505	607535832	/nfs/dbraw/zinc/53/58/32/607535832.db2.gz	VQKZSNRXLSGBTN-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1	ZINC000826281505	607535834	/nfs/dbraw/zinc/53/58/34/607535834.db2.gz	VQKZSNRXLSGBTN-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
O=C([O-])COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826461251	609274711	/nfs/dbraw/zinc/27/47/11/609274711.db2.gz	MUCCNTVYPZZPAC-FPYGCLRLSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826461251	609274712	/nfs/dbraw/zinc/27/47/12/609274712.db2.gz	MUCCNTVYPZZPAC-FPYGCLRLSA-N	-2	3	368.324	2.365	20	30		FEEDHL
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000073837908	670508635	/nfs/dbraw/zinc/50/86/35/670508635.db2.gz	BXLPGYIKRRNZLR-UHFFFAOYSA-N	-2	3	353.444	2.271	20	30		FEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])c(Br)cc1C	ZINC000312438006	673028726	/nfs/dbraw/zinc/02/87/26/673028726.db2.gz	BGVMRLLOXUUBTF-MRVPVSSYSA-N	-2	3	361.217	2.500	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F	ZINC000596034907	673351001	/nfs/dbraw/zinc/35/10/01/673351001.db2.gz	JWEHQQVRBGJFSQ-VIFPVBQESA-N	-2	3	368.308	2.019	20	30		FEEDHL
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758116146	680556260	/nfs/dbraw/zinc/55/62/60/680556260.db2.gz	DOVGORRDFYQPDA-UHFFFAOYSA-N	-2	3	363.395	2.187	20	30		FEEDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000275001190	330000989	/nfs/dbraw/zinc/00/09/89/330000989.db2.gz	OGOWQFHMIJWGMS-ZDUSSCGKSA-N	-2	3	364.345	2.356	20	30		FEEDHL
CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000485071424	561311895	/nfs/dbraw/zinc/31/18/95/561311895.db2.gz	DFFQIODROMUVBX-NSHDSACASA-N	-2	3	369.399	2.024	20	30		FEEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000274987305	550569775	/nfs/dbraw/zinc/56/97/75/550569775.db2.gz	KGWQIEUVXYLKMI-SNVBAGLBSA-N	-2	3	364.345	2.212	20	30		FEEDHL
COC(=O)c1ccc([O-])c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000282759159	551267245	/nfs/dbraw/zinc/26/72/45/551267245.db2.gz	KJVHAOWAVGKMAP-UHFFFAOYSA-N	-2	3	369.377	2.339	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c(F)c1	ZINC000568939952	568252545	/nfs/dbraw/zinc/25/25/45/568252545.db2.gz	DZDRLXCWNNDMMC-UHFFFAOYSA-N	-2	3	354.403	2.401	20	30		FEEDHL
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-c2nnn[n-]2)nc1	ZINC000737200034	599149641	/nfs/dbraw/zinc/14/96/41/599149641.db2.gz	RSMZAMDVBDZOKY-CYBMUJFWSA-N	-2	3	371.360	2.257	20	30		FEEDHL
O=C([O-])C(F)(F)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000738206037	598434921	/nfs/dbraw/zinc/43/49/21/598434921.db2.gz	ASLVKVZACBPVCQ-UHFFFAOYSA-N	-2	3	374.307	2.369	20	30		FEEDHL
O=C([O-])C(F)(F)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000738206037	598434923	/nfs/dbraw/zinc/43/49/23/598434923.db2.gz	ASLVKVZACBPVCQ-UHFFFAOYSA-N	-2	3	374.307	2.369	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000738229559	600224088	/nfs/dbraw/zinc/22/40/88/600224088.db2.gz	KNGNDYKBYMKBEL-MRXNPFEDSA-N	-2	3	365.389	2.423	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740028060	602745252	/nfs/dbraw/zinc/74/52/52/602745252.db2.gz	CLECCBCCNKUQCF-ZDUSSCGKSA-N	-2	3	361.398	2.142	20	30		FEEDHL
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000779848448	681760234	/nfs/dbraw/zinc/76/02/34/681760234.db2.gz	NPIBZNPFDYZBMU-SNVBAGLBSA-N	-3	3	362.363	2.182	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000325373236	553775816	/nfs/dbraw/zinc/77/58/16/553775816.db2.gz	TWFKFSOKIGRKKE-CQSZACIVSA-N	-2	3	364.810	2.186	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1CC(=O)[O-]	ZINC000738228822	600676633	/nfs/dbraw/zinc/67/66/33/600676633.db2.gz	BUYAAZBZJQEFMM-UHFFFAOYSA-N	-2	3	354.362	2.441	20	30		FEEDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])ccc1C#N	ZINC000559592532	674548941	/nfs/dbraw/zinc/54/89/41/674548941.db2.gz	LARYITBZMITQON-UHFFFAOYSA-N	-2	3	359.407	2.432	20	30		FEEDHL
CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(C(=O)[O-])c1	ZINC000823958313	608535598	/nfs/dbraw/zinc/53/55/98/608535598.db2.gz	IPSGQVKOCWPCFQ-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(C(=O)[O-])c1	ZINC000823958313	608535599	/nfs/dbraw/zinc/53/55/99/608535599.db2.gz	IPSGQVKOCWPCFQ-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042243607	670160114	/nfs/dbraw/zinc/16/01/14/670160114.db2.gz	KHNGIBAKQWKVBV-UHFFFAOYSA-N	-2	3	365.436	2.203	20	30		FEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(I)ccc1[O-]	ZINC000591339153	672673061	/nfs/dbraw/zinc/67/30/61/672673061.db2.gz	RMGYKROSURBCIY-QMMMGPOBSA-N	-2	3	366.180	2.041	20	30		FEEDHL
COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c([N+](=O)[O-])cc1[O-]	ZINC000767109839	680899201	/nfs/dbraw/zinc/89/92/01/680899201.db2.gz	XQQCZBKOKOZIDD-UHFFFAOYSA-N	-2	3	363.277	2.090	20	30		FEEDHL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1	ZINC000481607927	561237322	/nfs/dbraw/zinc/23/73/22/561237322.db2.gz	KGRJJYZMRBMZNI-UHFFFAOYSA-N	-2	3	361.379	2.032	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1	ZINC000187025219	548243446	/nfs/dbraw/zinc/24/34/46/548243446.db2.gz	AAYBNBAAYWCMIF-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1	ZINC000187025219	548243449	/nfs/dbraw/zinc/24/34/49/548243449.db2.gz	AAYBNBAAYWCMIF-UHFFFAOYSA-N	-2	3	374.813	2.116	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1	ZINC000326342258	553780128	/nfs/dbraw/zinc/78/01/28/553780128.db2.gz	LGWLKLAUMWPHDV-CYBMUJFWSA-N	-2	3	364.810	2.358	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000521565476	562178936	/nfs/dbraw/zinc/17/89/36/562178936.db2.gz	CNFWOYCDVNFYKK-MRVPVSSYSA-N	-2	3	371.308	2.422	20	30		FEEDHL
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(CC(=O)[O-])cc1	ZINC000819773173	607253014	/nfs/dbraw/zinc/25/30/14/607253014.db2.gz	QPFSHIKJBALMSB-UHFFFAOYSA-N	-2	3	350.382	2.008	20	30		FEEDHL
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(CC(=O)[O-])cc1	ZINC000819773173	607253015	/nfs/dbraw/zinc/25/30/15/607253015.db2.gz	QPFSHIKJBALMSB-UHFFFAOYSA-N	-2	3	350.382	2.008	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000738231233	600043076	/nfs/dbraw/zinc/04/30/76/600043076.db2.gz	XBMXNMTZJADOGS-UHFFFAOYSA-N	-2	3	365.389	2.449	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740028229	602635563	/nfs/dbraw/zinc/63/55/63/602635563.db2.gz	KKPOQMCRJCXWAO-CQSZACIVSA-N	-2	3	374.441	2.105	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)[C@@H]1CCCN1C(=O)[O-]	ZINC000829820955	603594807	/nfs/dbraw/zinc/59/48/07/603594807.db2.gz	LKCOPZJLXXFUJM-DOMZBBRYSA-N	-2	3	361.398	2.282	20	30		FEEDHL
O=C([O-])c1cccc2c1CC(=N[N-]S(=O)(=O)Cc1ccccc1)CC2	ZINC000814816423	674881769	/nfs/dbraw/zinc/88/17/69/674881769.db2.gz	NTYBSZCLZNJWML-UHFFFAOYSA-N	-2	3	358.419	2.349	20	30		FEEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000864453053	683855177	/nfs/dbraw/zinc/85/51/77/683855177.db2.gz	WDPMOUXGZPMKMK-SNVBAGLBSA-N	-2	3	366.208	2.286	20	30		FEEDHL
C=CC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000871871354	684870166	/nfs/dbraw/zinc/87/01/66/684870166.db2.gz	CUIPISINDNVVHO-LURJTMIESA-N	-2	3	354.247	2.452	20	30		FEEDHL
C=CCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-]	ZINC000909160366	691788203	/nfs/dbraw/zinc/78/82/03/691788203.db2.gz	ZXMAZVVSEYESCJ-LLVKDONJSA-N	-2	3	357.204	2.373	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1	ZINC000321897521	553767305	/nfs/dbraw/zinc/76/73/05/553767305.db2.gz	UEGMYSPLXBQGNQ-CQSZACIVSA-N	-2	3	350.783	2.316	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000372226714	557415016	/nfs/dbraw/zinc/41/50/16/557415016.db2.gz	IMDGBARPZGCCDH-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000372226714	557415018	/nfs/dbraw/zinc/41/50/18/557415018.db2.gz	IMDGBARPZGCCDH-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)s1	ZINC000521964409	562187473	/nfs/dbraw/zinc/18/74/73/562187473.db2.gz	YKIMKFVDKXJVQT-GFCCVEGCSA-N	-2	3	356.812	2.377	20	30		FEEDHL
CC(=N[N-]c1oc(C)nc1-c1nn[n-]n1)c1c(Cl)nc2sccn21	ZINC000735450635	599149910	/nfs/dbraw/zinc/14/99/10/599149910.db2.gz	BOJFPVLADXWBLR-UHFFFAOYSA-N	-2	3	363.794	2.362	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1-c1nnn[n-]1	ZINC000826190647	607530826	/nfs/dbraw/zinc/53/08/26/607530826.db2.gz	IGRRUOUGWBUEFX-GORDUTHDSA-N	-2	3	367.321	2.385	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1-c1nn[n-]n1	ZINC000826190647	607530827	/nfs/dbraw/zinc/53/08/27/607530827.db2.gz	IGRRUOUGWBUEFX-GORDUTHDSA-N	-2	3	367.321	2.385	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CCC(NC(=O)[O-])CC1	ZINC000829821097	603484574	/nfs/dbraw/zinc/48/45/74/603484574.db2.gz	NFCJJLGBHGSOMY-UHFFFAOYSA-N	-2	3	374.441	2.246	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000829820791	603493581	/nfs/dbraw/zinc/49/35/81/603493581.db2.gz	IYMKQNULXADOJG-IUODEOHRSA-N	-2	3	361.398	2.188	20	30		FEEDHL
Cc1ncc(CO)c(C=Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1[O-]	ZINC000833008766	604793746	/nfs/dbraw/zinc/79/37/46/604793746.db2.gz	UNPFRTBWUKHERV-UHFFFAOYSA-N	-2	3	350.758	2.455	20	30		FEEDHL
N#CCc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1	ZINC000578492694	671669007	/nfs/dbraw/zinc/66/90/07/671669007.db2.gz	VKAITIYFRLFYDV-SECBINFHSA-N	-2	3	370.736	2.090	20	30		FEEDHL
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2[O-])C1=O	ZINC000279205906	550864730	/nfs/dbraw/zinc/86/47/30/550864730.db2.gz	VKVMCAFLWHANEB-SFHVURJKSA-N	-2	3	363.414	2.414	20	30		FEEDHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c1	ZINC000521089009	562169522	/nfs/dbraw/zinc/16/95/22/562169522.db2.gz	RMLXVGZEGKENBM-UHFFFAOYSA-N	-2	3	362.382	2.225	20	30		FEEDHL
Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCc3ccc(C#N)cc32)c1	ZINC000436656553	559948033	/nfs/dbraw/zinc/94/80/33/559948033.db2.gz	GUAVMLLVNSPPFK-UHFFFAOYSA-N	-2	3	358.375	2.022	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000832842309	601756042	/nfs/dbraw/zinc/75/60/42/601756042.db2.gz	AHMUVVYVBVWATJ-KRWDZBQOSA-N	-2	3	359.426	2.358	20	30		FEEDHL
COc1ccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000826195732	607527450	/nfs/dbraw/zinc/52/74/50/607527450.db2.gz	DHKJMNVRYWFUII-RQZCQDPDSA-N	-2	3	354.326	2.108	20	30		FEEDHL
COc1ccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000826195732	607527451	/nfs/dbraw/zinc/52/74/51/607527451.db2.gz	DHKJMNVRYWFUII-RQZCQDPDSA-N	-2	3	354.326	2.108	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-]	ZINC000740028001	602018199	/nfs/dbraw/zinc/01/81/99/602018199.db2.gz	AANCDSNBZVMQKZ-BBRMVZONSA-N	-2	3	374.441	2.246	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740028059	602745306	/nfs/dbraw/zinc/74/53/06/602745306.db2.gz	CLECCBCCNKUQCF-CYBMUJFWSA-N	-2	3	361.398	2.142	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000740028269	602802846	/nfs/dbraw/zinc/80/28/46/602802846.db2.gz	LMHOFJPTSWLZPK-XJKSGUPXSA-N	-2	3	374.441	2.151	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000740028266	602802857	/nfs/dbraw/zinc/80/28/57/602802857.db2.gz	LMHOFJPTSWLZPK-BBRMVZONSA-N	-2	3	374.441	2.151	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000740028268	602802867	/nfs/dbraw/zinc/80/28/67/602802867.db2.gz	LMHOFJPTSWLZPK-CZUORRHYSA-N	-2	3	374.441	2.151	20	30		FEEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(Br)cc(C(F)(F)F)c1	ZINC000814232426	674827490	/nfs/dbraw/zinc/82/74/90/674827490.db2.gz	VXEOKKUAEFBKHA-UHFFFAOYSA-N	-2	3	351.082	2.353	20	30		FEEDHL
Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c(Br)c2)c(=O)o1	ZINC000119862345	671911074	/nfs/dbraw/zinc/91/10/74/671911074.db2.gz	MAWLXBGGBPGXJC-KQIUPUNMSA-N	-2	3	351.152	2.383	20	30		FEEDHL
CC1=CC(=O)C(=C([O-])C=Cc2ccc([O-])c(Br)c2)C(=O)O1	ZINC000119862345	671911076	/nfs/dbraw/zinc/91/10/76/671911076.db2.gz	MAWLXBGGBPGXJC-KQIUPUNMSA-N	-2	3	351.152	2.383	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)s1	ZINC000262860512	328895584	/nfs/dbraw/zinc/89/55/84/328895584.db2.gz	ZDXMJGYBKYOBRZ-CYBMUJFWSA-N	-2	3	364.448	2.374	20	30		FEEDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000158914190	545905240	/nfs/dbraw/zinc/90/52/40/545905240.db2.gz	QXJODOQLSGRMMJ-UHFFFAOYSA-N	-2	3	351.315	2.420	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(C(F)(F)F)c1	ZINC000270529748	550280671	/nfs/dbraw/zinc/28/06/71/550280671.db2.gz	UONPEHPDUBVJIC-UHFFFAOYSA-N	-2	3	362.329	2.253	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000526060088	562265537	/nfs/dbraw/zinc/26/55/37/562265537.db2.gz	UMSJZCPFEAZCMJ-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1	ZINC000416966421	559340693	/nfs/dbraw/zinc/34/06/93/559340693.db2.gz	YGNVKDZALOCZNE-GFCCVEGCSA-N	-2	3	365.436	2.476	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000552507852	597145556	/nfs/dbraw/zinc/14/55/56/597145556.db2.gz	QYLHUFBEQHPRAB-UHFFFAOYSA-N	-2	3	353.378	2.223	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(NC(=O)[O-])CCCC2)no1	ZINC000740028250	602413980	/nfs/dbraw/zinc/41/39/80/602413980.db2.gz	KYDSVQSMEAKWCF-UHFFFAOYSA-N	-2	3	371.397	2.481	20	30		FEEDHL
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(-c2nn[n-]n2)cc1	ZINC000826177815	607931272	/nfs/dbraw/zinc/93/12/72/607931272.db2.gz	WSYLJXZRXIPRIG-UHFFFAOYSA-N	-2	3	352.354	2.410	20	30		FEEDHL
C=CCOC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-]	ZINC000583141105	672067217	/nfs/dbraw/zinc/06/72/17/672067217.db2.gz	WLKDZXFDGZWIBK-LBPRGKRZSA-N	-2	3	373.814	2.329	20	30		FEEDHL
COc1cc(OC)c([N-]S(=O)(=O)CCC(C)(C)C#N)c(C(=O)[O-])c1	ZINC000583697003	672118599	/nfs/dbraw/zinc/11/85/99/672118599.db2.gz	QBGZOIITOVOLSL-UHFFFAOYSA-N	-2	3	356.400	2.084	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F	ZINC000596034906	673350874	/nfs/dbraw/zinc/35/08/74/673350874.db2.gz	JWEHQQVRBGJFSQ-SECBINFHSA-N	-2	3	368.308	2.019	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000776597890	681413680	/nfs/dbraw/zinc/41/36/80/681413680.db2.gz	UHZGEEDSCBYJKZ-SNVBAGLBSA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1cccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1	ZINC000324864940	553774063	/nfs/dbraw/zinc/77/40/63/553774063.db2.gz	HZGPUCLDIXDXFI-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
O=C([O-])c1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cs1	ZINC000737810198	599463775	/nfs/dbraw/zinc/46/37/75/599463775.db2.gz	XYCNIDNAZSFFBF-IHWYPQMZSA-N	-2	3	366.362	2.170	20	30		FEEDHL
O=C([O-])c1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cs1	ZINC000737810198	599463778	/nfs/dbraw/zinc/46/37/78/599463778.db2.gz	XYCNIDNAZSFFBF-IHWYPQMZSA-N	-2	3	366.362	2.170	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000823387743	607458975	/nfs/dbraw/zinc/45/89/75/607458975.db2.gz	WLPKSSNSYAAAJO-SREVYHEPSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000823387743	607458976	/nfs/dbraw/zinc/45/89/76/607458976.db2.gz	WLPKSSNSYAAAJO-SREVYHEPSA-N	-2	3	368.324	2.365	20	30		FEEDHL
COC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[O-]	ZINC000831210749	601354698	/nfs/dbraw/zinc/35/46/98/601354698.db2.gz	TZDGHKYHVKGSKC-HNNXBMFYSA-N	-2	3	370.317	2.425	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056485	670683024	/nfs/dbraw/zinc/68/30/24/670683024.db2.gz	CDXDREVJTKLCJD-UHFFFAOYSA-N	-2	3	351.428	2.025	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000776597889	681413607	/nfs/dbraw/zinc/41/36/07/681413607.db2.gz	UHZGEEDSCBYJKZ-JTQLQIEISA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1	ZINC000486776883	561356256	/nfs/dbraw/zinc/35/62/56/561356256.db2.gz	VBQNJMUTWBKLEJ-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1	ZINC000486776883	561356257	/nfs/dbraw/zinc/35/62/57/561356257.db2.gz	VBQNJMUTWBKLEJ-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274953659	550567509	/nfs/dbraw/zinc/56/75/09/550567509.db2.gz	GOXNDZWJVNGPAO-LLVKDONJSA-N	-2	3	364.345	2.355	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c1	ZINC000325237792	553775275	/nfs/dbraw/zinc/77/52/75/553775275.db2.gz	ULVZVMFONSULGJ-UHFFFAOYSA-N	-2	3	364.810	2.431	20	30		FEEDHL
C=CCCC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451480613	560309501	/nfs/dbraw/zinc/30/95/01/560309501.db2.gz	QQWIUCFIADWVAQ-UHFFFAOYSA-N	-2	3	364.464	2.222	20	30		FEEDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000460834696	560753012	/nfs/dbraw/zinc/75/30/12/560753012.db2.gz	BZTQOCIDWYIJAI-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c(F)c1	ZINC000530367327	562408574	/nfs/dbraw/zinc/40/85/74/562408574.db2.gz	TUZADBFKMQRNSJ-CQSZACIVSA-N	-2	3	368.773	2.455	20	30		FEEDHL
CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)[nH]c(C(=O)[O-])c2C)n1	ZINC000829890438	604881159	/nfs/dbraw/zinc/88/11/59/604881159.db2.gz	SICGYCUFWKKDDK-SECBINFHSA-N	-2	3	361.379	2.453	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)cc(F)c1[O-]	ZINC000822934871	606859460	/nfs/dbraw/zinc/85/94/60/606859460.db2.gz	DUXAMZSDVHQWGG-IHWYPQMZSA-N	-2	3	368.303	2.394	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)cc(F)c1[O-]	ZINC000822934871	606859462	/nfs/dbraw/zinc/85/94/62/606859462.db2.gz	DUXAMZSDVHQWGG-IHWYPQMZSA-N	-2	3	368.303	2.394	20	30		FEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])c(Br)cc1C	ZINC000312438007	673028541	/nfs/dbraw/zinc/02/85/41/673028541.db2.gz	BGVMRLLOXUUBTF-QMMMGPOBSA-N	-2	3	361.217	2.500	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-]	ZINC000321816312	553767208	/nfs/dbraw/zinc/76/72/08/553767208.db2.gz	CCXSHJKLGTZSCA-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(-c2ccncc2)[n-][nH]1	ZINC000372552904	557501989	/nfs/dbraw/zinc/50/19/89/557501989.db2.gz	MLTMQKAEGDWLTG-UHFFFAOYSA-N	-2	3	362.393	2.632	20	30		FEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1	ZINC000416966430	559340732	/nfs/dbraw/zinc/34/07/32/559340732.db2.gz	YGNVKDZALOCZNE-LBPRGKRZSA-N	-2	3	365.436	2.476	20	30		FEEDHL
O=[N+]([O-])c1cc(Cl)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1[O-]	ZINC000823635458	607252819	/nfs/dbraw/zinc/25/28/19/607252819.db2.gz	XARJBVUGRCWOJB-UHFFFAOYSA-N	-2	3	373.760	2.258	20	30		FEEDHL
O=[N+]([O-])c1cc(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1[O-]	ZINC000823635458	607252820	/nfs/dbraw/zinc/25/28/20/607252820.db2.gz	XARJBVUGRCWOJB-UHFFFAOYSA-N	-2	3	373.760	2.258	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c([O-])c1	ZINC000821770382	606856844	/nfs/dbraw/zinc/85/68/44/606856844.db2.gz	RQLQTPOMHISTDI-UTCJRWHESA-N	-2	3	362.349	2.125	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c([O-])c1	ZINC000821770382	606856847	/nfs/dbraw/zinc/85/68/47/606856847.db2.gz	RQLQTPOMHISTDI-UTCJRWHESA-N	-2	3	362.349	2.125	20	30		FEEDHL
CC(=O)N(c1nc(C=Nn2c(=O)[n-][n-]c2=O)cs1)c1ccc(C)cc1	ZINC000814230754	674827532	/nfs/dbraw/zinc/82/75/32/674827532.db2.gz	AMMWCPMJZVELFV-UHFFFAOYSA-N	-2	3	358.383	2.021	20	30		FEEDHL
Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c(Br)c2)c(=O)o1	ZINC000255697202	672895527	/nfs/dbraw/zinc/89/55/27/672895527.db2.gz	MAWLXBGGBPGXJC-MFBWXBCUSA-N	-2	3	351.152	2.383	20	30		FEEDHL
CC1=CC(=O)C(=C([O-])C=Cc2ccc([O-])c(Br)c2)C(=O)O1	ZINC000255697202	672895529	/nfs/dbraw/zinc/89/55/29/672895529.db2.gz	MAWLXBGGBPGXJC-MFBWXBCUSA-N	-2	3	351.152	2.383	20	30		FEEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1	ZINC000775676734	681323506	/nfs/dbraw/zinc/32/35/06/681323506.db2.gz	JRQKFWFMHRNDJO-UHFFFAOYSA-N	-2	3	352.343	2.243	20	30		FEEDHL
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000779848436	681760225	/nfs/dbraw/zinc/76/02/25/681760225.db2.gz	NPIBZNPFDYZBMU-JTQLQIEISA-N	-3	3	362.363	2.182	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc2ccccc2)s1	ZINC000262860514	328895598	/nfs/dbraw/zinc/89/55/98/328895598.db2.gz	ZDXMJGYBKYOBRZ-ZDUSSCGKSA-N	-2	3	364.448	2.374	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-]	ZINC000517229275	562081094	/nfs/dbraw/zinc/08/10/94/562081094.db2.gz	KKQBFJKWBARIGZ-SECBINFHSA-N	-2	3	353.318	2.125	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000526059428	562265601	/nfs/dbraw/zinc/26/56/01/562265601.db2.gz	MNPKNUKGDBBQRQ-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435480746	559923884	/nfs/dbraw/zinc/92/38/84/559923884.db2.gz	IDFWKVBQUFSFRD-UHFFFAOYSA-N	-2	3	371.465	2.101	20	30		FEEDHL
CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C	ZINC000736448205	598977308	/nfs/dbraw/zinc/97/73/08/598977308.db2.gz	VOACVDWEYTULLL-UHFFFAOYSA-N	-2	3	365.459	2.341	20	30		FEEDHL
CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C	ZINC000736448205	598977310	/nfs/dbraw/zinc/97/73/10/598977310.db2.gz	VOACVDWEYTULLL-UHFFFAOYSA-N	-2	3	365.459	2.341	20	30		FEEDHL
O=C([O-])c1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cs1	ZINC000737810204	599464207	/nfs/dbraw/zinc/46/42/07/599464207.db2.gz	XYCNIDNAZSFFBF-NSCUHMNNSA-N	-2	3	366.362	2.170	20	30		FEEDHL
O=C([O-])c1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cs1	ZINC000737810204	599464208	/nfs/dbraw/zinc/46/42/08/599464208.db2.gz	XYCNIDNAZSFFBF-NSCUHMNNSA-N	-2	3	366.362	2.170	20	30		FEEDHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1-c1nn[n-]n1	ZINC000826304158	607534995	/nfs/dbraw/zinc/53/49/95/607534995.db2.gz	YYXJAXDHMOKZSP-UHFFFAOYSA-N	-2	3	354.395	2.042	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCCN1C(=O)[O-]	ZINC000740028380	603147218	/nfs/dbraw/zinc/14/72/18/603147218.db2.gz	QCRKLQDQAAESRF-ZDUSSCGKSA-N	-2	3	361.398	2.284	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1	ZINC000823387242	606304704	/nfs/dbraw/zinc/30/47/04/606304704.db2.gz	GPZSDCZXADHDTE-PLNGDYQASA-N	-2	3	356.363	2.288	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1	ZINC000823387242	606304707	/nfs/dbraw/zinc/30/47/07/606304707.db2.gz	GPZSDCZXADHDTE-PLNGDYQASA-N	-2	3	356.363	2.288	20	30		FEEDHL
CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1C(=O)[O-]	ZINC000823958500	608535586	/nfs/dbraw/zinc/53/55/86/608535586.db2.gz	PBFJOPPCOGLUHZ-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1C(=O)[O-]	ZINC000823958500	608535587	/nfs/dbraw/zinc/53/55/87/608535587.db2.gz	PBFJOPPCOGLUHZ-UHFFFAOYSA-N	-2	3	357.761	2.449	20	30		FEEDHL
N#CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000826382362	609526445	/nfs/dbraw/zinc/52/64/45/609526445.db2.gz	ATYKFTNVNLYGMH-UHFFFAOYSA-N	-2	3	374.813	2.387	20	30		FEEDHL
N#CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000826382362	609526446	/nfs/dbraw/zinc/52/64/46/609526446.db2.gz	ATYKFTNVNLYGMH-UHFFFAOYSA-N	-2	3	374.813	2.387	20	30		FEEDHL
Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600657090	673786794	/nfs/dbraw/zinc/78/67/94/673786794.db2.gz	IIEFYMYLBPZNTE-UHFFFAOYSA-N	-2	3	355.372	2.283	20	30		FEEDHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)cc(F)c1[O-]	ZINC000768367523	680945264	/nfs/dbraw/zinc/94/52/64/680945264.db2.gz	QNPRNWFXPWUQLC-UHFFFAOYSA-N	-2	3	373.749	2.405	20	30		FEEDHL
C=C(C)C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-]	ZINC000909159908	691787993	/nfs/dbraw/zinc/78/79/93/691787993.db2.gz	RQOWZXZWDJJUBU-LLVKDONJSA-N	-2	3	357.204	2.373	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1	ZINC000527499200	539706171	/nfs/dbraw/zinc/70/61/71/539706171.db2.gz	PCPFYERDTLTKQQ-OAHLLOKOSA-N	-2	3	355.398	2.422	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1	ZINC000551915366	674172609	/nfs/dbraw/zinc/17/26/09/674172609.db2.gz	JZKDNYROAGPXHJ-MRVPVSSYSA-N	-2	3	370.736	2.143	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)s1	ZINC000318691734	553762850	/nfs/dbraw/zinc/76/28/50/553762850.db2.gz	NKPLIEKFGBOPSA-GFCCVEGCSA-N	-2	3	356.812	2.377	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1	ZINC000326380903	553780650	/nfs/dbraw/zinc/78/06/50/553780650.db2.gz	YDCARFLUIBVUFK-AWEZNQCLSA-N	-2	3	364.810	2.186	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)s1	ZINC000521964410	562187577	/nfs/dbraw/zinc/18/75/77/562187577.db2.gz	YKIMKFVDKXJVQT-LBPRGKRZSA-N	-2	3	356.812	2.377	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000595282939	601818233	/nfs/dbraw/zinc/81/82/33/601818233.db2.gz	TVRPTBUMHHTUQA-UHFFFAOYSA-N	-2	3	359.426	2.312	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1CC(=O)[O-]	ZINC000821768996	606303951	/nfs/dbraw/zinc/30/39/51/606303951.db2.gz	CBFXXDZDIUBGGK-ONEGZZNKSA-N	-2	3	370.390	2.460	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1CC(=O)[O-]	ZINC000821768996	606303952	/nfs/dbraw/zinc/30/39/52/606303952.db2.gz	CBFXXDZDIUBGGK-ONEGZZNKSA-N	-2	3	370.390	2.460	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c([O-])c1	ZINC000821770387	606857035	/nfs/dbraw/zinc/85/70/35/606857035.db2.gz	RQLQTPOMHISTDI-ZZXKWVIFSA-N	-2	3	362.349	2.125	20	30		FEEDHL
COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c([O-])c1	ZINC000821770387	606857037	/nfs/dbraw/zinc/85/70/37/606857037.db2.gz	RQLQTPOMHISTDI-ZZXKWVIFSA-N	-2	3	362.349	2.125	20	30		FEEDHL
N#Cc1cc(F)ccc1CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000573404289	671118207	/nfs/dbraw/zinc/11/82/07/671118207.db2.gz	ZZHZWMDVKQZVJN-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823893888	675575877	/nfs/dbraw/zinc/57/58/77/675575877.db2.gz	AOLWQOWKZYPKHN-VIFPVBQESA-N	-2	3	357.386	2.168	20	30		FEEDHL
N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1	ZINC000619462872	676377744	/nfs/dbraw/zinc/37/77/44/676377744.db2.gz	XRAGWWULVPQYDJ-UHFFFAOYSA-N	-2	3	360.391	2.407	20	30		FEEDHL
O=S1(=O)[N-]C(=NN=Cc2c([O-])ccc(Cl)c2F)c2ccccc21	ZINC000790153507	682658739	/nfs/dbraw/zinc/65/87/39/682658739.db2.gz	HHDRCWYMJRIGHU-UHFFFAOYSA-N	-2	3	353.762	2.257	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cc1F	ZINC000291940807	552676737	/nfs/dbraw/zinc/67/67/37/552676737.db2.gz	YBBUUTGVQCVCGR-VIFPVBQESA-N	-2	3	368.308	2.019	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000321569936	553766931	/nfs/dbraw/zinc/76/69/31/553766931.db2.gz	AQQVPSWGDPQRKW-UHFFFAOYSA-N	-2	3	350.783	2.388	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(C(F)(F)F)c1	ZINC000526951389	562270514	/nfs/dbraw/zinc/27/05/14/562270514.db2.gz	VABHVKCOEGLFSA-UHFFFAOYSA-N	-2	3	374.296	2.347	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000832842808	601734920	/nfs/dbraw/zinc/73/49/20/601734920.db2.gz	KFEPWNAAMCVVSW-KRWDZBQOSA-N	-2	3	371.368	2.290	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-]	ZINC000740028004	602017976	/nfs/dbraw/zinc/01/79/76/602017976.db2.gz	AANCDSNBZVMQKZ-XJKSGUPXSA-N	-2	3	374.441	2.246	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1	ZINC000740028335	602410488	/nfs/dbraw/zinc/41/04/88/602410488.db2.gz	OETIUTUPXREXEY-GFCCVEGCSA-N	-2	3	374.441	2.103	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1	ZINC000823387244	606304550	/nfs/dbraw/zinc/30/45/50/606304550.db2.gz	GPZSDCZXADHDTE-SNAWJCMRSA-N	-2	3	356.363	2.288	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1	ZINC000823387244	606304551	/nfs/dbraw/zinc/30/45/51/606304551.db2.gz	GPZSDCZXADHDTE-SNAWJCMRSA-N	-2	3	356.363	2.288	20	30		FEEDHL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826461975	608881689	/nfs/dbraw/zinc/88/16/89/608881689.db2.gz	LBFLIXQXCCIXQZ-GORDUTHDSA-N	-3	3	354.297	2.306	20	30		FEEDHL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826461975	608881690	/nfs/dbraw/zinc/88/16/90/608881690.db2.gz	LBFLIXQXCCIXQZ-GORDUTHDSA-N	-3	3	354.297	2.306	20	30		FEEDHL
O=C([O-])COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1	ZINC000826461416	609474532	/nfs/dbraw/zinc/47/45/32/609474532.db2.gz	UHTQGQCTSWESNM-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
O=C([O-])COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1	ZINC000826461416	609474533	/nfs/dbraw/zinc/47/45/33/609474533.db2.gz	UHTQGQCTSWESNM-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F	ZINC000794768610	682995125	/nfs/dbraw/zinc/99/51/25/682995125.db2.gz	WNZATQDUGIDVDN-QMMMGPOBSA-N	-2	3	370.736	2.143	20	30		FEEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-]	ZINC000274925359	550565395	/nfs/dbraw/zinc/56/53/95/550565395.db2.gz	BMIPKSLNKMUBTK-QMMMGPOBSA-N	-2	3	366.222	2.147	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-]	ZINC000297235752	553267471	/nfs/dbraw/zinc/26/74/71/553267471.db2.gz	PGZPGZGUOLQSSY-FZMZJTMJSA-N	-2	3	354.403	2.399	20	30		FEEDHL
N#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000436532150	559944710	/nfs/dbraw/zinc/94/47/10/559944710.db2.gz	FJOUDZGWWBCILN-UHFFFAOYSA-N	-2	3	365.798	2.100	20	30		FEEDHL
CC1(C)CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)(C(=O)[O-])CC1	ZINC000541003475	562600061	/nfs/dbraw/zinc/60/00/61/562600061.db2.gz	LKCRQROLOCKVGY-UHFFFAOYSA-N	-2	3	354.403	2.399	20	30		FEEDHL
CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(=O)[O-])cc1	ZINC000820831670	607253380	/nfs/dbraw/zinc/25/33/80/607253380.db2.gz	AQLSYXCFBTWNOB-UHFFFAOYSA-N	-2	3	350.382	2.469	20	30		FEEDHL
CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)[O-])cc1	ZINC000820831670	607253381	/nfs/dbraw/zinc/25/33/81/607253381.db2.gz	AQLSYXCFBTWNOB-UHFFFAOYSA-N	-2	3	350.382	2.469	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000564085233	602067779	/nfs/dbraw/zinc/06/77/79/602067779.db2.gz	UNSTTYGXVPCHIA-UHFFFAOYSA-N	-2	3	353.378	2.474	20	30		FEEDHL
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000824171851	607997746	/nfs/dbraw/zinc/99/77/46/607997746.db2.gz	FXESJWIMDNGQAV-UHFFFAOYSA-N	-2	3	364.365	2.240	20	30		FEEDHL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826461974	608881412	/nfs/dbraw/zinc/88/14/12/608881412.db2.gz	LBFLIXQXCCIXQZ-DJWKRKHSSA-N	-3	3	354.297	2.306	20	30		FEEDHL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826461974	608881414	/nfs/dbraw/zinc/88/14/14/608881414.db2.gz	LBFLIXQXCCIXQZ-DJWKRKHSSA-N	-3	3	354.297	2.306	20	30		FEEDHL
O=C([O-])COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1	ZINC000826461042	609472182	/nfs/dbraw/zinc/47/21/82/609472182.db2.gz	COOAQCHNJXLTPN-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
O=C([O-])COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1	ZINC000826461042	609472184	/nfs/dbraw/zinc/47/21/84/609472184.db2.gz	COOAQCHNJXLTPN-UHFFFAOYSA-N	-2	3	372.772	2.430	20	30		FEEDHL
C#CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000766319861	680873830	/nfs/dbraw/zinc/87/38/30/680873830.db2.gz	XGDCCLJWVVYXQM-UHFFFAOYSA-N	-2	3	362.363	2.422	20	30		FEEDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(=O)[O-]	ZINC000275063258	330006786	/nfs/dbraw/zinc/00/67/86/330006786.db2.gz	VBQYIMOEZCMSIL-VIFPVBQESA-N	-2	3	364.345	2.356	20	30		FEEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000274987302	550569772	/nfs/dbraw/zinc/56/97/72/550569772.db2.gz	KGWQIEUVXYLKMI-JTQLQIEISA-N	-2	3	364.345	2.212	20	30		FEEDHL
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000435873881	559931479	/nfs/dbraw/zinc/93/14/79/559931479.db2.gz	GNQDOMUXBMLGSJ-NHYWBVRUSA-N	-2	3	357.403	2.092	20	30		FEEDHL
CC#CCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1	ZINC000819765081	599122299	/nfs/dbraw/zinc/12/22/99/599122299.db2.gz	MYZSCOWYOZGLMZ-UHFFFAOYSA-N	-2	3	354.395	2.153	20	30		FEEDHL
O=C([O-])c1ccc(N=NCc2cc(O)cc(Br)c2[O-])nc1	ZINC000763369784	680781200	/nfs/dbraw/zinc/78/12/00/680781200.db2.gz	KDNRRLAXENTEAS-UHFFFAOYSA-N	-2	3	352.144	2.400	20	30		FEEDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000275001188	330000994	/nfs/dbraw/zinc/00/09/94/330000994.db2.gz	OGOWQFHMIJWGMS-CYBMUJFWSA-N	-2	3	364.345	2.356	20	30		FEEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-]	ZINC000275052125	550570254	/nfs/dbraw/zinc/57/02/54/550570254.db2.gz	SOAGASRWSPJPAD-SNVBAGLBSA-N	-2	3	370.477	2.325	20	30		FEEDHL
Cc1oc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C(=O)[O-]	ZINC000321247900	553766188	/nfs/dbraw/zinc/76/61/88/553766188.db2.gz	JSLLCVGMQUQTRL-UHFFFAOYSA-N	-2	3	354.771	2.290	20	30		FEEDHL
Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)sc1C(=O)[O-]	ZINC000390919812	558613141	/nfs/dbraw/zinc/61/31/41/558613141.db2.gz	GKSQKOSYTLNWSP-UHFFFAOYSA-N	-2	3	371.827	2.153	20	30		FEEDHL
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000435873879	559931538	/nfs/dbraw/zinc/93/15/38/559931538.db2.gz	GNQDOMUXBMLGSJ-ABAIWWIYSA-N	-2	3	357.403	2.092	20	30		FEEDHL
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000435873880	559931593	/nfs/dbraw/zinc/93/15/93/559931593.db2.gz	GNQDOMUXBMLGSJ-IAQYHMDHSA-N	-2	3	357.403	2.092	20	30		FEEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-]	ZINC000806634667	674384527	/nfs/dbraw/zinc/38/45/27/674384527.db2.gz	KJCFDKVTUNYOSR-SECBINFHSA-N	-2	3	371.308	2.422	20	30		FEEDHL
C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000825711034	601863207	/nfs/dbraw/zinc/86/32/07/601863207.db2.gz	MFOFTLYWJWYQGD-SECBINFHSA-N	-2	3	350.400	2.176	20	30		FEEDHL
C#CCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1	ZINC000823846139	607711042	/nfs/dbraw/zinc/71/10/42/607711042.db2.gz	ZPFOERPGWZKIHJ-UHFFFAOYSA-N	-2	3	354.395	2.153	20	30		FEEDHL
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-]	ZINC000833967224	605655068	/nfs/dbraw/zinc/65/50/68/605655068.db2.gz	QJVLXMUUELWKIT-INIZCTEOSA-N	-2	3	365.389	2.311	20	30		FEEDHL
N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833961953	606012879	/nfs/dbraw/zinc/01/28/79/606012879.db2.gz	VKLCVNSGJMCDTL-MRVPVSSYSA-N	-2	3	359.729	2.181	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000569431525	670558689	/nfs/dbraw/zinc/55/86/89/670558689.db2.gz	JTVOMCUFDXLRDQ-VIFPVBQESA-N	-2	3	366.208	2.286	20	30		FEEDHL
N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1	ZINC000581920617	671949717	/nfs/dbraw/zinc/94/97/17/671949717.db2.gz	KQRVGJNXEHLQHA-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1C(=O)[O-]	ZINC000515947352	562026096	/nfs/dbraw/zinc/02/60/96/562026096.db2.gz	VXGQQGZVPXONDK-UHFFFAOYSA-N	-2	3	365.798	2.092	20	30		FEEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1	ZINC000416956381	559340023	/nfs/dbraw/zinc/34/00/23/559340023.db2.gz	KGNHSDXKJGKHTK-SECBINFHSA-N	-2	3	361.217	2.500	20	30		FEEDHL
C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000432299822	559855803	/nfs/dbraw/zinc/85/58/03/559855803.db2.gz	QYDMQPILGRZGPJ-UHFFFAOYSA-N	-2	3	364.464	2.078	20	30		FEEDHL
N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1[O-]	ZINC000442897878	560061419	/nfs/dbraw/zinc/06/14/19/560061419.db2.gz	NKQAYGTZRDVIOW-UHFFFAOYSA-N	-2	3	365.389	2.460	20	30		FEEDHL
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)n[n-]1	ZINC000568144122	567938755	/nfs/dbraw/zinc/93/87/55/567938755.db2.gz	VXRFOHGFNSQCAY-CYBMUJFWSA-N	-2	3	371.397	2.076	20	30		FEEDHL
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)[n-]1	ZINC000568144122	567938757	/nfs/dbraw/zinc/93/87/57/567938757.db2.gz	VXRFOHGFNSQCAY-CYBMUJFWSA-N	-2	3	371.397	2.076	20	30		FEEDHL
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000568144122	567938758	/nfs/dbraw/zinc/93/87/58/567938758.db2.gz	VXRFOHGFNSQCAY-CYBMUJFWSA-N	-2	3	371.397	2.076	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1	ZINC000556774538	674419048	/nfs/dbraw/zinc/41/90/48/674419048.db2.gz	LSJWACDXZAVIBM-MRVPVSSYSA-N	-2	3	370.736	2.143	20	30		FEEDHL
COC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1[O-]	ZINC000831210752	601354918	/nfs/dbraw/zinc/35/49/18/601354918.db2.gz	TZDGHKYHVKGSKC-OAHLLOKOSA-N	-2	3	370.317	2.425	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000829820495	604238469	/nfs/dbraw/zinc/23/84/69/604238469.db2.gz	CUCJLWCIXOMQLA-OCCSQVGLSA-N	-2	3	374.441	2.103	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1	ZINC000826460978	608094249	/nfs/dbraw/zinc/09/42/49/608094249.db2.gz	ABJNCGVPHMORQX-SNAWJCMRSA-N	-2	3	356.363	2.288	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000577265040	671583357	/nfs/dbraw/zinc/58/33/57/671583357.db2.gz	RMFVYADOZZBJKB-VIFPVBQESA-N	-2	3	366.208	2.286	20	30		FEEDHL
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(-c2nnn[n-]2)s1	ZINC000826177513	675684038	/nfs/dbraw/zinc/68/40/38/675684038.db2.gz	LJQJKZXXUBFKSS-UHFFFAOYSA-N	-2	3	358.383	2.471	20	30		FEEDHL
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(-c2nn[n-]n2)s1	ZINC000826177513	675684041	/nfs/dbraw/zinc/68/40/41/675684041.db2.gz	LJQJKZXXUBFKSS-UHFFFAOYSA-N	-2	3	358.383	2.471	20	30		FEEDHL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1	ZINC000826281132	675685313	/nfs/dbraw/zinc/68/53/13/675685313.db2.gz	GHRDRMYUSDBNAD-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1	ZINC000775298131	681294510	/nfs/dbraw/zinc/29/45/10/681294510.db2.gz	IKAZVFIENSFIAT-UHFFFAOYSA-N	-2	3	360.391	2.163	20	30		FEEDHL
C=CCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000280737896	551027035	/nfs/dbraw/zinc/02/70/35/551027035.db2.gz	WAFFQZJIJNJRIM-UHFFFAOYSA-N	-2	3	354.247	2.453	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c(C(F)(F)F)c1	ZINC000287413938	552000882	/nfs/dbraw/zinc/00/08/82/552000882.db2.gz	FMBLNSUPHLVPSW-LLVKDONJSA-N	-2	3	362.329	2.109	20	30		FEEDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000297316606	553277554	/nfs/dbraw/zinc/27/75/54/553277554.db2.gz	WPZGESSHNLYSDV-JTQLQIEISA-N	-2	3	364.345	2.499	20	30		FEEDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000297335979	553279946	/nfs/dbraw/zinc/27/99/46/553279946.db2.gz	YDDCYHGRTHFBHV-JTQLQIEISA-N	-2	3	364.345	2.356	20	30		FEEDHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000526059427	562265582	/nfs/dbraw/zinc/26/55/82/562265582.db2.gz	MNPKNUKGDBBQRQ-LLVKDONJSA-N	-2	3	371.827	2.081	20	30		FEEDHL
COC(=O)c1ccc(C)c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1[O-]	ZINC000436516653	559943988	/nfs/dbraw/zinc/94/39/88/559943988.db2.gz	UYEMKFVXOUJXKF-UHFFFAOYSA-N	-2	3	373.390	2.434	20	30		FEEDHL
O=C([O-])C(F)(F)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000738206013	598435317	/nfs/dbraw/zinc/43/53/17/598435317.db2.gz	AHSZSLBVXAOOHU-UHFFFAOYSA-N	-2	3	374.307	2.369	20	30		FEEDHL
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)cc1C	ZINC000825270978	607397108	/nfs/dbraw/zinc/39/71/08/607397108.db2.gz	FKDYWFZYLRKCBA-OAHLLOKOSA-N	-2	3	354.414	2.194	20	30		FEEDHL
N#Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000739122985	600314853	/nfs/dbraw/zinc/31/48/53/600314853.db2.gz	JHNCSFJHGCNLPB-UHFFFAOYSA-N	-2	3	373.796	2.443	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-]	ZINC000829821416	603660658	/nfs/dbraw/zinc/66/06/58/603660658.db2.gz	RLIBXVVCXKIUCZ-ZBEGNZNMSA-N	-2	3	374.441	2.103	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000821786725	606858527	/nfs/dbraw/zinc/85/85/27/606858527.db2.gz	ILSWFXDDBVBTSE-GORDUTHDSA-N	-3	3	366.333	2.175	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000821786725	606858529	/nfs/dbraw/zinc/85/85/29/606858529.db2.gz	ILSWFXDDBVBTSE-GORDUTHDSA-N	-3	3	366.333	2.175	20	30		FEEDHL
CC(CC1(C(=O)[O-])CCC1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000814821860	674882244	/nfs/dbraw/zinc/88/22/44/674882244.db2.gz	AZBIUJCREABUNR-UHFFFAOYSA-N	-2	3	369.399	2.035	20	30		FEEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000569431524	670558632	/nfs/dbraw/zinc/55/86/32/670558632.db2.gz	JTVOMCUFDXLRDQ-SECBINFHSA-N	-2	3	366.208	2.286	20	30		FEEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000575999647	671337174	/nfs/dbraw/zinc/33/71/74/671337174.db2.gz	QPTITGRIICUECQ-QMMMGPOBSA-N	-2	3	371.308	2.422	20	30		FEEDHL
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749620980	680062385	/nfs/dbraw/zinc/06/23/85/680062385.db2.gz	CEDZTJQLCRKCEK-UHFFFAOYSA-N	-2	3	363.395	2.187	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)n1	ZINC000055601516	540663298	/nfs/dbraw/zinc/66/32/98/540663298.db2.gz	XXJRRPBZRHQLQS-UHFFFAOYSA-N	-2	3	366.402	2.418	20	30		FEEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-]	ZINC000275052123	550570346	/nfs/dbraw/zinc/57/03/46/550570346.db2.gz	SOAGASRWSPJPAD-JTQLQIEISA-N	-2	3	370.477	2.325	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(Cl)c1	ZINC000322206252	553767939	/nfs/dbraw/zinc/76/79/39/553767939.db2.gz	UEGMYSPLXBQGNQ-AWEZNQCLSA-N	-2	3	350.783	2.316	20	30		FEEDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1OCC(=O)[O-]	ZINC000524450655	562228887	/nfs/dbraw/zinc/22/88/87/562228887.db2.gz	WSEBKWLDVWUEJZ-UHFFFAOYSA-N	-2	3	364.354	2.270	20	30		FEEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1	ZINC000416956383	559340035	/nfs/dbraw/zinc/34/00/35/559340035.db2.gz	KGNHSDXKJGKHTK-VIFPVBQESA-N	-2	3	361.217	2.500	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000581073590	597173702	/nfs/dbraw/zinc/17/37/02/597173702.db2.gz	HUQRXUZYQZUUAR-QGZVFWFLSA-N	-2	3	367.405	2.020	20	30		FEEDHL
Cc1cccc(N(CC(=O)[O-])C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000738719347	600526986	/nfs/dbraw/zinc/52/69/86/600526986.db2.gz	HCLHGHTXWXKCTE-UHFFFAOYSA-N	-2	3	368.393	2.030	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000738229110	600601808	/nfs/dbraw/zinc/60/18/08/600601808.db2.gz	GSUNPZISYQABSL-GOSISDBHSA-N	-2	3	367.405	2.493	20	30		FEEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000560421437	674586123	/nfs/dbraw/zinc/58/61/23/674586123.db2.gz	LQKLLKSXHGPAED-MRVPVSSYSA-N	-2	3	370.736	2.143	20	30		FEEDHL
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000826387491	675687720	/nfs/dbraw/zinc/68/77/20/675687720.db2.gz	XSLCSDQVVFANSH-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000826387491	675687721	/nfs/dbraw/zinc/68/77/21/675687721.db2.gz	XSLCSDQVVFANSH-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
Cc1c(C(=O)[O-])oc2c1C(=N[N-]S(=O)(=O)Cc1ccccc1)CCC2	ZINC000920383459	683338055	/nfs/dbraw/zinc/33/80/55/683338055.db2.gz	JTPSEGXMLJYDNB-UHFFFAOYSA-N	-2	3	362.407	2.446	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(CC(=O)[O-])c1	ZINC000738231319	600028133	/nfs/dbraw/zinc/02/81/33/600028133.db2.gz	YAIKJFQSIKIMHH-UHFFFAOYSA-N	-2	3	354.362	2.441	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CNC(=O)[O-])CC(C)C	ZINC000740028503	602454824	/nfs/dbraw/zinc/45/48/24/602454824.db2.gz	SBQPYQTZAXSKOB-CYBMUJFWSA-N	-2	3	362.430	2.007	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000826191090	607982648	/nfs/dbraw/zinc/98/26/48/607982648.db2.gz	WQWVJTDVAKKPAO-GORDUTHDSA-N	-2	3	367.321	2.385	20	30		FEEDHL
COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000826191090	607982649	/nfs/dbraw/zinc/98/26/49/607982649.db2.gz	WQWVJTDVAKKPAO-GORDUTHDSA-N	-2	3	367.321	2.385	20	30		FEEDHL
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000748411509	679960839	/nfs/dbraw/zinc/96/08/39/679960839.db2.gz	PDELCNKIKOLWMQ-UHFFFAOYSA-N	-2	3	363.395	2.186	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n1	ZINC000129114214	544091194	/nfs/dbraw/zinc/09/11/94/544091194.db2.gz	YNEBBERWVJIXHV-UHFFFAOYSA-N	-2	3	366.402	2.418	20	30		FEEDHL
Cc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1C(=O)[O-]	ZINC000281681921	551130207	/nfs/dbraw/zinc/13/02/07/551130207.db2.gz	AGMYVYACUMUCCK-UHFFFAOYSA-N	-2	3	354.403	2.441	20	30		FEEDHL
C=CCSCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC	ZINC000318953715	553763168	/nfs/dbraw/zinc/76/31/68/553763168.db2.gz	UZQSPHBFNTZCFL-UHFFFAOYSA-N	-2	3	365.860	2.244	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccnc3C#N)c2)n1	ZINC000364746920	555392761	/nfs/dbraw/zinc/39/27/61/555392761.db2.gz	VMWLHTBYKHPSRQ-UHFFFAOYSA-N	-2	3	367.390	2.225	20	30		FEEDHL
Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)ccc1C#N	ZINC000435762180	559929887	/nfs/dbraw/zinc/92/98/87/559929887.db2.gz	RZUDUAVZBHYDNP-UHFFFAOYSA-N	-2	3	365.436	2.039	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000738212530	598821362	/nfs/dbraw/zinc/82/13/62/598821362.db2.gz	WHENCQMGGKHXSU-WTKPLQERSA-N	-2	3	350.334	2.226	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000738212530	598821365	/nfs/dbraw/zinc/82/13/65/598821365.db2.gz	WHENCQMGGKHXSU-WTKPLQERSA-N	-2	3	350.334	2.226	20	30		FEEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C\c2c([O-])c(C)ncc2CO)cc1OC	ZINC000737950546	600494639	/nfs/dbraw/zinc/49/46/39/600494639.db2.gz	RLADOQBJVWJJOA-ICFKLBPISA-N	-2	3	374.393	2.240	20	30		FEEDHL
Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1C#N	ZINC000826304024	607538366	/nfs/dbraw/zinc/53/83/66/607538366.db2.gz	RPNXMSOAHLWDHK-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-]	ZINC000833967225	605654889	/nfs/dbraw/zinc/65/48/89/605654889.db2.gz	QJVLXMUUELWKIT-MRXNPFEDSA-N	-2	3	365.389	2.311	20	30		FEEDHL
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1-c1nnn[n-]1	ZINC000826177317	607931243	/nfs/dbraw/zinc/93/12/43/607931243.db2.gz	CPNPNEGXQJAJJR-UHFFFAOYSA-N	-2	3	368.353	2.028	20	30		FEEDHL
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1-c1nn[n-]n1	ZINC000826177317	607931244	/nfs/dbraw/zinc/93/12/44/607931244.db2.gz	CPNPNEGXQJAJJR-UHFFFAOYSA-N	-2	3	368.353	2.028	20	30		FEEDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000297335984	553280044	/nfs/dbraw/zinc/28/00/44/553280044.db2.gz	YDDCYHGRTHFBHV-SNVBAGLBSA-N	-2	3	364.345	2.356	20	30		FEEDHL
Cc1nsc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C#N	ZINC000410805989	558812934	/nfs/dbraw/zinc/81/29/34/558812934.db2.gz	CMGDSJKBZGMYRT-UHFFFAOYSA-N	-2	3	368.440	2.245	20	30		FEEDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)o1	ZINC000833323544	601272025	/nfs/dbraw/zinc/27/20/25/601272025.db2.gz	ZMTSBOXLGRFBJH-UHFFFAOYSA-N	-2	3	373.308	2.327	20	30		FEEDHL
Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1-c1nn[n-]n1	ZINC000826304132	607538331	/nfs/dbraw/zinc/53/83/31/607538331.db2.gz	XTEJXVSPWAWTNK-UHFFFAOYSA-N	-2	3	354.395	2.156	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826461132	608878030	/nfs/dbraw/zinc/87/80/30/608878030.db2.gz	HLTBHJJMRQLHCE-FNORWQNLSA-N	-2	3	368.324	2.365	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826461132	608878031	/nfs/dbraw/zinc/87/80/31/608878031.db2.gz	HLTBHJJMRQLHCE-FNORWQNLSA-N	-2	3	368.324	2.365	20	30		FEEDHL
CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000261867389	328825616	/nfs/dbraw/zinc/82/56/16/328825616.db2.gz	PVODHOYMIGAXEM-NSHDSACASA-N	-2	3	364.345	2.499	20	30		FEEDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC000324398091	553771881	/nfs/dbraw/zinc/77/18/81/553771881.db2.gz	GUFSRECLXRGPEG-UHFFFAOYSA-N	-2	3	350.327	2.205	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000371591541	557232735	/nfs/dbraw/zinc/23/27/35/557232735.db2.gz	FKYBTXRFTRMMHI-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000371591541	557232736	/nfs/dbraw/zinc/23/27/36/557232736.db2.gz	FKYBTXRFTRMMHI-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1	ZINC000568945597	568254444	/nfs/dbraw/zinc/25/44/44/568254444.db2.gz	NDDHATGBERCRBJ-GFCCVEGCSA-N	-2	3	370.839	2.247	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000832842311	601756106	/nfs/dbraw/zinc/75/61/06/601756106.db2.gz	AHMUVVYVBVWATJ-QGZVFWFLSA-N	-2	3	359.426	2.358	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-]	ZINC000740028003	602017912	/nfs/dbraw/zinc/01/79/12/602017912.db2.gz	AANCDSNBZVMQKZ-CZUORRHYSA-N	-2	3	374.441	2.246	20	30		FEEDHL
O=C([O-])COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1	ZINC000823387594	606389679	/nfs/dbraw/zinc/38/96/79/606389679.db2.gz	QABQCVSTULLMQV-GQCTYLIASA-N	-2	3	356.363	2.288	20	30		FEEDHL
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000823954075	609160461	/nfs/dbraw/zinc/16/04/61/609160461.db2.gz	YHZXQRXNCASWHD-UHFFFAOYSA-N	-2	3	354.345	2.218	20	30		FEEDHL
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000823954075	609160463	/nfs/dbraw/zinc/16/04/63/609160463.db2.gz	YHZXQRXNCASWHD-UHFFFAOYSA-N	-2	3	354.345	2.218	20	30		FEEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000275006664	330001452	/nfs/dbraw/zinc/00/14/52/330001452.db2.gz	MQHGPFCRLVFCEE-MRVPVSSYSA-N	-2	3	350.318	2.109	20	30		FEEDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1OCC(=O)[O-]	ZINC000500317826	561570000	/nfs/dbraw/zinc/57/00/00/561570000.db2.gz	RRZJPCGAFWRSID-UHFFFAOYSA-N	-2	3	360.391	2.325	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000325294628	553776042	/nfs/dbraw/zinc/77/60/42/553776042.db2.gz	TWFKFSOKIGRKKE-AWEZNQCLSA-N	-2	3	364.810	2.186	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c(Cl)c1	ZINC000387708131	558608029	/nfs/dbraw/zinc/60/80/29/558608029.db2.gz	QNTIQLLFUMQRFY-GFCCVEGCSA-N	-2	3	356.812	2.377	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)cc1-c1nnn[n-]1	ZINC000737080656	599155198	/nfs/dbraw/zinc/15/51/98/599155198.db2.gz	FRNOTBTZWMSNGN-XBXARRHUSA-N	-2	3	364.361	2.399	20	30		FEEDHL
COc1ccc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)cc1-c1nn[n-]n1	ZINC000737080656	599155200	/nfs/dbraw/zinc/15/52/00/599155200.db2.gz	FRNOTBTZWMSNGN-XBXARRHUSA-N	-2	3	364.361	2.399	20	30		FEEDHL
N#Cc1cccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000739133541	600143456	/nfs/dbraw/zinc/14/34/56/600143456.db2.gz	JMDFTDXMFMSUGO-UHFFFAOYSA-N	-2	3	373.796	2.443	20	30		FEEDHL
C[C@H](C(=O)[O-])n1cccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1	ZINC000833405686	605039876	/nfs/dbraw/zinc/03/98/76/605039876.db2.gz	GUEVYXIGPITOAN-SNVBAGLBSA-N	-2	3	371.401	2.180	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)cc(F)c1[O-]	ZINC000822934873	606859257	/nfs/dbraw/zinc/85/92/57/606859257.db2.gz	DUXAMZSDVHQWGG-NSCUHMNNSA-N	-2	3	368.303	2.394	20	30		FEEDHL
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)cc(F)c1[O-]	ZINC000822934873	606859259	/nfs/dbraw/zinc/85/92/59/606859259.db2.gz	DUXAMZSDVHQWGG-NSCUHMNNSA-N	-2	3	368.303	2.394	20	30		FEEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-]	ZINC000274925356	550565258	/nfs/dbraw/zinc/56/52/58/550565258.db2.gz	BMIPKSLNKMUBTK-MRVPVSSYSA-N	-2	3	366.222	2.147	20	30		FEEDHL
N#Cc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)ccc1F	ZINC000285107962	551705643	/nfs/dbraw/zinc/70/56/43/551705643.db2.gz	MOLUWBMPGIMSRD-SECBINFHSA-N	-2	3	368.308	2.019	20	30		FEEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-]	ZINC000297235755	553267506	/nfs/dbraw/zinc/26/75/06/553267506.db2.gz	PGZPGZGUOLQSSY-RISCZKNCSA-N	-2	3	354.403	2.399	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000321364147	553766095	/nfs/dbraw/zinc/76/60/95/553766095.db2.gz	YSUUHTUASBCHGI-CQSZACIVSA-N	-2	3	350.783	2.316	20	30		FEEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1	ZINC000534049227	562524248	/nfs/dbraw/zinc/52/42/48/562524248.db2.gz	GSRFNORSINFOMM-UHFFFAOYSA-N	-2	3	350.783	2.388	20	30		FEEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C/c2c([O-])c(C)ncc2CO)cc1OC	ZINC000737950552	600495004	/nfs/dbraw/zinc/49/50/04/600495004.db2.gz	RLADOQBJVWJJOA-PZEXIZOFSA-N	-2	3	374.393	2.240	20	30		FEEDHL
N#Cc1ccc([O-])c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822833184	606298048	/nfs/dbraw/zinc/29/80/48/606298048.db2.gz	MCJJPJVWXQQFBF-UHFFFAOYSA-N	-2	3	352.379	2.175	20	30		FEEDHL
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000826387408	609524139	/nfs/dbraw/zinc/52/41/39/609524139.db2.gz	TWUCJZNZOIXYNX-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000826387408	609524142	/nfs/dbraw/zinc/52/41/42/609524142.db2.gz	TWUCJZNZOIXYNX-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000042232459	670159660	/nfs/dbraw/zinc/15/96/60/670159660.db2.gz	FBYIPGIRFWVHRI-UHFFFAOYSA-N	-2	3	359.407	2.141	20	30		FEEDHL
CCCc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000048563430	670267111	/nfs/dbraw/zinc/26/71/11/670267111.db2.gz	ZEJUTBXAMAMZSB-UHFFFAOYSA-N	-2	3	363.439	2.227	20	30		FEEDHL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000593256198	672899130	/nfs/dbraw/zinc/89/91/30/672899130.db2.gz	FOTPDOMLDVFNAJ-JTQLQIEISA-N	-2	3	373.406	2.061	20	30		FEEDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c[n-]1	ZINC000593279481	672902017	/nfs/dbraw/zinc/90/20/17/672902017.db2.gz	GYLVAMVWAGOGQN-UHFFFAOYSA-N	-2	3	362.411	2.188	20	30		FEEDHL
C=CCCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000903059776	690839865	/nfs/dbraw/zinc/83/98/65/690839865.db2.gz	VDJQFDWTUSLGIH-SECBINFHSA-N	-2	3	352.334	2.188	20	30		FEEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c1	ZINC000317129312	553761814	/nfs/dbraw/zinc/76/18/14/553761814.db2.gz	DGWSKXPQAUCBTJ-GFCCVEGCSA-N	-2	3	356.812	2.377	20	30		FEEDHL
COC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[O-]	ZINC000831210107	600733374	/nfs/dbraw/zinc/73/33/74/600733374.db2.gz	LTHOXWLCWWHRAL-HNNXBMFYSA-N	-2	3	370.317	2.425	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000829820795	603493286	/nfs/dbraw/zinc/49/32/86/603493286.db2.gz	IYMKQNULXADOJG-WFASDCNBSA-N	-2	3	361.398	2.188	20	30		FEEDHL
COc1ccc(Nc2nc(Cl)c(C=Nn3c(=O)[n-][n-]c3=O)s2)cc1	ZINC000814231198	674827418	/nfs/dbraw/zinc/82/74/18/674827418.db2.gz	PVLMNFQKYVVSOX-UHFFFAOYSA-N	-2	3	366.790	2.434	20	30		FEEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Br)cc1C(F)(F)F	ZINC000814231348	674827636	/nfs/dbraw/zinc/82/76/36/674827636.db2.gz	UQEXODDAUGMUSG-UHFFFAOYSA-N	-2	3	351.082	2.353	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000598192785	673547089	/nfs/dbraw/zinc/54/70/89/673547089.db2.gz	ZMZRLLCJHXXDLN-UHFFFAOYSA-N	-2	3	359.455	2.319	20	30		FEEDHL
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc(Cl)c2[O-])cc1	ZINC000753166019	680277934	/nfs/dbraw/zinc/27/79/34/680277934.db2.gz	VSYLSCKTKZIUQH-UHFFFAOYSA-N	-2	3	369.786	2.407	20	30		FEEDHL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-]	ZINC000775675661	681322799	/nfs/dbraw/zinc/32/27/99/681322799.db2.gz	HKLRFEACVAWYES-UHFFFAOYSA-N	-2	3	351.355	2.353	20	30		FEEDHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1	ZINC000129114445	544091425	/nfs/dbraw/zinc/09/14/25/544091425.db2.gz	VEZKKRMOQNVJGA-UHFFFAOYSA-N	-2	3	366.402	2.418	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529701554	562381526	/nfs/dbraw/zinc/38/15/26/562381526.db2.gz	DCSCRWCQMWERIJ-UHFFFAOYSA-N	-2	3	357.439	2.172	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1	ZINC000568945598	568254475	/nfs/dbraw/zinc/25/44/75/568254475.db2.gz	NDDHATGBERCRBJ-LBPRGKRZSA-N	-2	3	370.839	2.247	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000592373321	601921010	/nfs/dbraw/zinc/92/10/10/601921010.db2.gz	ZVPQVUJKUWMUQA-UHFFFAOYSA-N	-2	3	353.378	2.223	20	30		FEEDHL
COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(=O)[O-])o2)cc1	ZINC000829442173	604221848	/nfs/dbraw/zinc/22/18/48/604221848.db2.gz	KLULRTUVHCEQJM-ZDUSSCGKSA-N	-2	3	357.322	2.017	20	30		FEEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-]	ZINC000793982633	682923561	/nfs/dbraw/zinc/92/35/61/682923561.db2.gz	AXQYSRFMCSSYRL-QMMMGPOBSA-N	-2	3	371.308	2.422	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl	ZINC000103059429	543089432	/nfs/dbraw/zinc/08/94/32/543089432.db2.gz	FWELWVZKVHIOED-UHFFFAOYSA-N	-2	3	360.786	2.193	20	30		FEEDHL
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2[O-])C1=O	ZINC000279205905	550864674	/nfs/dbraw/zinc/86/46/74/550864674.db2.gz	VKVMCAFLWHANEB-GOSISDBHSA-N	-2	3	363.414	2.414	20	30		FEEDHL
Cc1cccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1C#N	ZINC000284897221	551661494	/nfs/dbraw/zinc/66/14/94/551661494.db2.gz	AMILYWBRYDQIIX-JTQLQIEISA-N	-2	3	364.345	2.188	20	30		FEEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c(Cl)c1	ZINC000323613071	553770083	/nfs/dbraw/zinc/77/00/83/553770083.db2.gz	BMIVDXBHXMJCTC-UMSPYCQHSA-N	-2	3	356.831	2.381	20	30		FEEDHL
Cn1cc(C#N)c(=NC(=O)NCc2ccc([O-])c(Br)c2)[n-]1	ZINC000610821402	554567197	/nfs/dbraw/zinc/56/71/97/554567197.db2.gz	RHRBMGTZDXHKLB-UHFFFAOYSA-N	-2	3	350.176	2.082	20	30		FEEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000515196598	562000123	/nfs/dbraw/zinc/00/01/23/562000123.db2.gz	MONIGKIEOYCYOD-UHFFFAOYSA-N	-2	3	350.318	2.109	20	30		FEEDHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000530338067	562407374	/nfs/dbraw/zinc/40/73/74/562407374.db2.gz	PIWVSFUHJCUKAD-NSHDSACASA-N	-2	3	371.827	2.081	20	30		FEEDHL
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)cc1C	ZINC000825270960	607396980	/nfs/dbraw/zinc/39/69/80/607396980.db2.gz	FKDYWFZYLRKCBA-HNNXBMFYSA-N	-2	3	354.414	2.194	20	30		FEEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000740028073	602370388	/nfs/dbraw/zinc/37/03/88/602370388.db2.gz	CUVCZVIAYVGWKB-UHFFFAOYSA-N	-2	3	374.441	2.057	20	30		FEEDHL
O=C([O-])COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1	ZINC000826460977	608094094	/nfs/dbraw/zinc/09/40/94/608094094.db2.gz	ABJNCGVPHMORQX-PLNGDYQASA-N	-2	3	356.363	2.288	20	30		FEEDHL
N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1	ZINC000548197797	673932688	/nfs/dbraw/zinc/93/26/88/673932688.db2.gz	KYKGANOSWQJYNU-UHFFFAOYSA-N	-2	3	352.318	2.477	20	30		FEEDHL
C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000766316438	680873738	/nfs/dbraw/zinc/87/37/38/680873738.db2.gz	DTGXRPRHXGBQPD-UHFFFAOYSA-N	-2	3	362.363	2.422	20	30		FEEDHL