smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000013032841	956909664	/nfs/dbraw/zinc/90/96/64/956909664.db2.gz	WGZITAZWAMOYCG-SECBINFHSA-N	-2	0	392.411	-0.862	20	50		GBGDRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000013032843	956909762	/nfs/dbraw/zinc/90/97/62/956909762.db2.gz	WGZITAZWAMOYCG-VIFPVBQESA-N	-2	0	392.411	-0.862	20	50		GBGDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000013032849	956909806	/nfs/dbraw/zinc/90/98/06/956909806.db2.gz	OAXAOTZVWFEOHA-SNVBAGLBSA-N	-2	0	390.439	-0.254	20	50		GBGDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c1C	ZINC000013032850	956909296	/nfs/dbraw/zinc/90/92/96/956909296.db2.gz	OAXAOTZVWFEOHA-JTQLQIEISA-N	-2	0	390.439	-0.254	20	50		GBGDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)[C@@H](C)NS(C)(=O)=O)c1C	ZINC000264178689	962750315	/nfs/dbraw/zinc/75/03/15/962750315.db2.gz	YAUGGTLPKLNQHQ-SECBINFHSA-N	-2	0	393.443	-0.751	20	50		GBGDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)[C@H](C)NS(C)(=O)=O)c1C	ZINC000264178692	962751135	/nfs/dbraw/zinc/75/11/35/962751135.db2.gz	YAUGGTLPKLNQHQ-VIFPVBQESA-N	-2	0	393.443	-0.751	20	50		GBGDRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000264494027	962754222	/nfs/dbraw/zinc/75/42/22/962754222.db2.gz	BNCSUAHUPGKRRO-MRVPVSSYSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000264494028	962754188	/nfs/dbraw/zinc/75/41/88/962754188.db2.gz	BNCSUAHUPGKRRO-QMMMGPOBSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000265873046	962754263	/nfs/dbraw/zinc/75/42/63/962754263.db2.gz	JUJLYAURFCYTAO-UHFFFAOYSA-N	-2	0	387.414	-0.236	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2COCCO2)c(Cl)cc1F	ZINC000266709783	962756742	/nfs/dbraw/zinc/75/67/42/962756742.db2.gz	JDVFXABQFISMCF-SECBINFHSA-N	-2	0	382.753	-0.098	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2COCCO2)c(Cl)cc1F	ZINC000266709787	962757671	/nfs/dbraw/zinc/75/76/71/962757671.db2.gz	JDVFXABQFISMCF-VIFPVBQESA-N	-2	0	382.753	-0.098	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000269040751	962772135	/nfs/dbraw/zinc/77/21/35/962772135.db2.gz	CPHQLZNIVWDVSR-LURJTMIESA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000269040754	962771959	/nfs/dbraw/zinc/77/19/59/962771959.db2.gz	CPHQLZNIVWDVSR-ZCFIWIBFSA-N	-2	0	399.834	-0.715	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1	ZINC000269079356	962772347	/nfs/dbraw/zinc/77/23/47/962772347.db2.gz	JTJZFKCYFOTQMH-MRVPVSSYSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)c1	ZINC000269079358	962772629	/nfs/dbraw/zinc/77/26/29/962772629.db2.gz	JTJZFKCYFOTQMH-QMMMGPOBSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCc2nncn2C1	ZINC000368317230	971550036	/nfs/dbraw/zinc/55/00/36/971550036.db2.gz	MHWSAGYKTGSSDN-SECBINFHSA-N	-2	0	397.388	-0.004	20	50		GBGDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCc2nncn2C1	ZINC000368317231	971549952	/nfs/dbraw/zinc/54/99/52/971549952.db2.gz	MHWSAGYKTGSSDN-VIFPVBQESA-N	-2	0	397.388	-0.004	20	50		GBGDRL
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cccs1	ZINC000391877273	972386121	/nfs/dbraw/zinc/38/61/21/972386121.db2.gz	YSMSVURYJYHORP-SECBINFHSA-N	-2	0	375.428	-0.917	20	50		GBGDRL
O=C([O-])C[C@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cccs1	ZINC000391877274	972385974	/nfs/dbraw/zinc/38/59/74/972385974.db2.gz	YSMSVURYJYHORP-VIFPVBQESA-N	-2	0	375.428	-0.917	20	50		GBGDRL
Cc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000731104293	978296945	/nfs/dbraw/zinc/29/69/45/978296945.db2.gz	FUIQPBPPAHFVFD-SECBINFHSA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000731104294	978296874	/nfs/dbraw/zinc/29/68/74/978296874.db2.gz	FUIQPBPPAHFVFD-VIFPVBQESA-N	-2	0	376.412	-0.563	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl	ZINC000731104722	978296611	/nfs/dbraw/zinc/29/66/11/978296611.db2.gz	YBQBPGSNKJODFF-SSDOTTSWSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl	ZINC000731104723	978296991	/nfs/dbraw/zinc/29/69/91/978296991.db2.gz	YBQBPGSNKJODFF-ZETCQYMHSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000731104728	978296717	/nfs/dbraw/zinc/29/67/17/978296717.db2.gz	YDXQEPOHLGBJIW-MRVPVSSYSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000731104729	978297077	/nfs/dbraw/zinc/29/70/77/978297077.db2.gz	YDXQEPOHLGBJIW-QMMMGPOBSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1	ZINC000735939282	944720048	/nfs/dbraw/zinc/72/00/48/944720048.db2.gz	MWWFCMRNZYJVMU-UHFFFAOYSA-N	-2	0	385.348	-0.494	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000736669885	978347648	/nfs/dbraw/zinc/34/76/48/978347648.db2.gz	BGMVNQBBQVDIEH-LURJTMIESA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000736669886	978347852	/nfs/dbraw/zinc/34/78/52/978347852.db2.gz	BGMVNQBBQVDIEH-ZCFIWIBFSA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000736671544	978348349	/nfs/dbraw/zinc/34/83/49/978348349.db2.gz	UILJXCFWTNCESH-LURJTMIESA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000736671545	978348414	/nfs/dbraw/zinc/34/84/14/978348414.db2.gz	UILJXCFWTNCESH-ZCFIWIBFSA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000736672883	978348300	/nfs/dbraw/zinc/34/83/00/978348300.db2.gz	UIVATVLHHPIERH-LURJTMIESA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000736672885	978348226	/nfs/dbraw/zinc/34/82/26/978348226.db2.gz	UIVATVLHHPIERH-ZCFIWIBFSA-N	-2	0	399.834	-0.715	20	50		GBGDRL
Cc1ncsc1C(=O)[N-]NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000737498967	945081746	/nfs/dbraw/zinc/08/17/46/945081746.db2.gz	HZWRXYOMAADUKW-UHFFFAOYSA-N	-2	0	386.397	-0.177	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1C(=O)[O-]	ZINC000737609892	945102650	/nfs/dbraw/zinc/10/26/50/945102650.db2.gz	KZVFWXOSZZSTIR-UHFFFAOYSA-N	-2	0	391.369	-0.473	20	50		GBGDRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)c2cnn(C)c2)c1	ZINC000737653646	978426651	/nfs/dbraw/zinc/42/66/51/978426651.db2.gz	IUAKXEZAPCVQHL-UHFFFAOYSA-N	-2	0	382.354	-0.472	20	50		GBGDRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C)c1	ZINC000737655033	978426617	/nfs/dbraw/zinc/42/66/17/978426617.db2.gz	YZCATEQRNKDGMC-UHFFFAOYSA-N	-2	0	387.370	-0.995	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C)c(C(=O)[O-])s1	ZINC000737680286	978429342	/nfs/dbraw/zinc/42/93/42/978429342.db2.gz	HCMRBXUAYWPHCW-UHFFFAOYSA-N	-2	0	393.399	-0.933	20	50		GBGDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]NC(=O)c2cnn(C)c2)c1	ZINC000737680476	978430116	/nfs/dbraw/zinc/43/01/16/978430116.db2.gz	FRUCSGPQMBKKBM-UHFFFAOYSA-N	-2	0	382.354	-0.472	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2cnn(C)c2)c(C(=O)[O-])s1	ZINC000737681535	978430124	/nfs/dbraw/zinc/43/01/24/978430124.db2.gz	RMCTYHSGZVRPDW-UHFFFAOYSA-N	-2	0	388.383	-0.410	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)N2CCOCC2)c(C(=O)[O-])s1	ZINC000737681654	978430072	/nfs/dbraw/zinc/43/00/72/978430072.db2.gz	UBLNXZRLEFHWPD-UHFFFAOYSA-N	-2	0	393.399	-0.532	20	50		GBGDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C)c1	ZINC000737684709	978430979	/nfs/dbraw/zinc/43/09/79/978430979.db2.gz	XCTGGHNMWAPCAO-UHFFFAOYSA-N	-2	0	387.370	-0.995	20	50		GBGDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C	ZINC000737686938	978430817	/nfs/dbraw/zinc/43/08/17/978430817.db2.gz	APRYHVQYPKWJLP-UHFFFAOYSA-N	-2	0	387.370	-0.995	20	50		GBGDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cnn(C)c1	ZINC000737689266	978430752	/nfs/dbraw/zinc/43/07/52/978430752.db2.gz	UNLRUWVSVZXPRH-UHFFFAOYSA-N	-2	0	382.354	-0.472	20	50		GBGDRL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C	ZINC000737717653	978438211	/nfs/dbraw/zinc/43/82/11/978438211.db2.gz	NHSFULALOYULKV-UHFFFAOYSA-N	-2	0	393.399	-0.933	20	50		GBGDRL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)N1CCOCC1	ZINC000737717852	978437955	/nfs/dbraw/zinc/43/79/55/978437955.db2.gz	OUKUHOQSFWAHFD-UHFFFAOYSA-N	-2	0	393.399	-0.532	20	50		GBGDRL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cnn(C)c1	ZINC000737719635	978438884	/nfs/dbraw/zinc/43/88/84/978438884.db2.gz	ZWUPHBVBLUMKJZ-UHFFFAOYSA-N	-2	0	388.383	-0.410	20	50		GBGDRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000737762709	978444017	/nfs/dbraw/zinc/44/40/17/978444017.db2.gz	KOOGWBRQVUXHST-UHFFFAOYSA-N	-2	0	395.415	-0.238	20	50		GBGDRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000737763425	978444060	/nfs/dbraw/zinc/44/40/60/978444060.db2.gz	XBWBNPTYVUAOJI-UHFFFAOYSA-N	-2	0	395.415	-0.238	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000738061303	978471513	/nfs/dbraw/zinc/47/15/13/978471513.db2.gz	RWJFZMVGMYPVDL-MRVPVSSYSA-N	-3	0	392.411	-0.862	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000738061307	978471424	/nfs/dbraw/zinc/47/14/24/978471424.db2.gz	RWJFZMVGMYPVDL-QMMMGPOBSA-N	-3	0	392.411	-0.862	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)c2ccco2)cc1C(=O)[O-]	ZINC000738061606	978472260	/nfs/dbraw/zinc/47/22/60/978472260.db2.gz	ZCJGGYFFKBEXEU-UHFFFAOYSA-N	-2	0	397.365	-0.274	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)c[nH]1	ZINC000738134854	945223553	/nfs/dbraw/zinc/22/35/53/945223553.db2.gz	VXLPWWNUAGJTAM-UHFFFAOYSA-N	-2	0	377.342	-0.484	20	50		GBGDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000738277110	978510022	/nfs/dbraw/zinc/51/00/22/978510022.db2.gz	FPDRNHQOXWCDOP-SECBINFHSA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000738277112	978510200	/nfs/dbraw/zinc/51/02/00/978510200.db2.gz	FPDRNHQOXWCDOP-VIFPVBQESA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000738278130	978509866	/nfs/dbraw/zinc/50/98/66/978509866.db2.gz	XHOIGNLALOUQGN-SECBINFHSA-N	-2	0	391.427	-0.627	20	50		GBGDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000738278131	978509957	/nfs/dbraw/zinc/50/99/57/978509957.db2.gz	XHOIGNLALOUQGN-VIFPVBQESA-N	-2	0	391.427	-0.627	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)CNC(=O)c2ccco2)ccc1F	ZINC000738466995	978542898	/nfs/dbraw/zinc/54/28/98/978542898.db2.gz	CZKZFROCJDQOFC-UHFFFAOYSA-N	-2	0	385.329	-0.144	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C(=O)[O-]	ZINC000738478864	978545222	/nfs/dbraw/zinc/54/52/22/978545222.db2.gz	BXXGRDOIGMNGAW-SECBINFHSA-N	-2	0	391.427	-0.627	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C(=O)[O-]	ZINC000738478865	978544954	/nfs/dbraw/zinc/54/49/54/978544954.db2.gz	BXXGRDOIGMNGAW-VIFPVBQESA-N	-2	0	391.427	-0.627	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C(=O)[O-]	ZINC000738479609	978544852	/nfs/dbraw/zinc/54/48/52/978544852.db2.gz	VHZILNQBRMYOEK-SECBINFHSA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C(=O)[O-]	ZINC000738479610	978544944	/nfs/dbraw/zinc/54/49/44/978544944.db2.gz	VHZILNQBRMYOEK-VIFPVBQESA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1[nH]nc(S(=O)(=O)[N-]NC(=O)[C@@H]2COc3ccccc3O2)c1C(=O)[O-]	ZINC000738828517	978603597	/nfs/dbraw/zinc/60/35/97/978603597.db2.gz	DZUKNDJZTNZCRG-JTQLQIEISA-N	-2	0	382.354	-0.434	20	50		GBGDRL
Cc1[nH]nc(S(=O)(=O)[N-]NC(=O)[C@H]2COc3ccccc3O2)c1C(=O)[O-]	ZINC000738828522	978603625	/nfs/dbraw/zinc/60/36/25/978603625.db2.gz	DZUKNDJZTNZCRG-SNVBAGLBSA-N	-2	0	382.354	-0.434	20	50		GBGDRL
Cc1nc2ccccn2c1C(=O)N[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000738829129	978604380	/nfs/dbraw/zinc/60/43/80/978604380.db2.gz	KXMRLDOKRKZULK-UHFFFAOYSA-N	-2	0	378.370	-0.004	20	50		GBGDRL
Cc1[nH]nc(S(=O)(=O)[N-]NC(=O)c2ccc3c(c2)OCCO3)c1C(=O)[O-]	ZINC000738830002	978604552	/nfs/dbraw/zinc/60/45/52/978604552.db2.gz	YTVJNKCDTMOZBD-UHFFFAOYSA-N	-2	0	382.354	-0.189	20	50		GBGDRL
Cc1nc(N2CCOCC2)sc1C(=O)[N-]NS(=O)(=O)CCC(=O)[O-]	ZINC000738864550	978605744	/nfs/dbraw/zinc/60/57/44/978605744.db2.gz	LYLHLZUMXMGEEP-UHFFFAOYSA-N	-2	0	378.432	-0.673	20	50		GBGDRL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)CNC(=O)c1ccco1	ZINC000739298520	978627360	/nfs/dbraw/zinc/62/73/60/978627360.db2.gz	UCGRQNKWHMZBRA-UHFFFAOYSA-N	-2	0	385.329	-0.144	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)o1	ZINC000739453246	978637210	/nfs/dbraw/zinc/63/72/10/978637210.db2.gz	DMVZMALRBTUCMM-UHFFFAOYSA-N	-2	0	378.326	-0.423	20	50		GBGDRL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000739453376	978637235	/nfs/dbraw/zinc/63/72/35/978637235.db2.gz	GLPWMQUGBHUCEF-MRVPVSSYSA-N	-2	0	395.390	-0.797	20	50		GBGDRL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000739453379	978637150	/nfs/dbraw/zinc/63/71/50/978637150.db2.gz	GLPWMQUGBHUCEF-QMMMGPOBSA-N	-2	0	395.390	-0.797	20	50		GBGDRL
O=C([O-])CSCCNC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1	ZINC000739862949	978657354	/nfs/dbraw/zinc/65/73/54/978657354.db2.gz	PBWIVLWXEBZPNU-UHFFFAOYSA-N	-2	0	389.459	-0.259	20	50		GBGDRL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)c2ccco2)cc1	ZINC000739886690	978658328	/nfs/dbraw/zinc/65/83/28/978658328.db2.gz	VCUNFBYZRSTAKR-UHFFFAOYSA-N	-2	0	381.366	-0.354	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccc3c(c2)OCCO3)cn1	ZINC000739911849	978658589	/nfs/dbraw/zinc/65/85/89/978658589.db2.gz	OIDFTCPEDYMLOO-UHFFFAOYSA-N	-2	0	382.354	-0.638	20	50		GBGDRL
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000740074747	978666005	/nfs/dbraw/zinc/66/60/05/978666005.db2.gz	BRUZWEXFKNFUMG-SSDOTTSWSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000740074749	978665914	/nfs/dbraw/zinc/66/59/14/978665914.db2.gz	BRUZWEXFKNFUMG-ZETCQYMHSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000740145259	978670412	/nfs/dbraw/zinc/67/04/12/978670412.db2.gz	PSDUWNNHXDAYHI-SSDOTTSWSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000740145261	978670878	/nfs/dbraw/zinc/67/08/78/978670878.db2.gz	PSDUWNNHXDAYHI-ZETCQYMHSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)C2CCN(c3ncccn3)CC2)o1	ZINC000740177659	978671584	/nfs/dbraw/zinc/67/15/84/978671584.db2.gz	QNICBRIITUAURI-UHFFFAOYSA-N	-2	0	395.397	-0.006	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000743251082	978677056	/nfs/dbraw/zinc/67/70/56/978677056.db2.gz	LNNVRLXFQKKHRT-SSDOTTSWSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000743251092	978677269	/nfs/dbraw/zinc/67/72/69/978677269.db2.gz	LNNVRLXFQKKHRT-ZETCQYMHSA-N	-2	0	396.830	-0.218	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000743251427	978677274	/nfs/dbraw/zinc/67/72/74/978677274.db2.gz	PUTRNXHEIQZDPB-MRVPVSSYSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000743251429	978677089	/nfs/dbraw/zinc/67/70/89/978677089.db2.gz	PUTRNXHEIQZDPB-QMMMGPOBSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000749144839	978688874	/nfs/dbraw/zinc/68/88/74/978688874.db2.gz	YPYFVGGVYNLEOC-SSDOTTSWSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000749144845	978688787	/nfs/dbraw/zinc/68/87/87/978688787.db2.gz	YPYFVGGVYNLEOC-ZETCQYMHSA-N	-2	0	380.375	-0.732	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)CNC(=O)c2cccs2)cc1C(=O)[O-]	ZINC000751279462	978692091	/nfs/dbraw/zinc/69/20/91/978692091.db2.gz	JSBSYPOBSDTICJ-UHFFFAOYSA-N	-2	0	386.411	-0.476	20	50		GBGDRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)CNC(=O)c1ccco1	ZINC000751282959	978691907	/nfs/dbraw/zinc/69/19/07/978691907.db2.gz	RYWGTTIQCSQPGP-UHFFFAOYSA-N	-2	0	397.365	-0.274	20	50		GBGDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000757646118	978703363	/nfs/dbraw/zinc/70/33/63/978703363.db2.gz	TXKYOAYETPPDRP-JTQLQIEISA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000757646119	978703185	/nfs/dbraw/zinc/70/31/85/978703185.db2.gz	TXKYOAYETPPDRP-SNVBAGLBSA-N	-2	0	376.412	-0.563	20	50		GBGDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000793352171	978804288	/nfs/dbraw/zinc/80/42/88/978804288.db2.gz	HXDAVLQRGOPWRV-MRVPVSSYSA-N	-2	0	394.402	-0.423	20	50		GBGDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000793352175	978803621	/nfs/dbraw/zinc/80/36/21/978803621.db2.gz	HXDAVLQRGOPWRV-QMMMGPOBSA-N	-2	0	394.402	-0.423	20	50		GBGDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCc2nncn2C1	ZINC000793445721	978810256	/nfs/dbraw/zinc/81/02/56/978810256.db2.gz	AWYRAUSCFSFTKN-SECBINFHSA-N	-2	0	397.388	-0.004	20	50		GBGDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCc2nncn2C1	ZINC000793445727	978810435	/nfs/dbraw/zinc/81/04/35/978810435.db2.gz	AWYRAUSCFSFTKN-VIFPVBQESA-N	-2	0	397.388	-0.004	20	50		GBGDRL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)c1	ZINC000793445865	978810641	/nfs/dbraw/zinc/81/06/41/978810641.db2.gz	BQSNJXVBTAJSDE-MRVPVSSYSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)c1	ZINC000793445869	978810655	/nfs/dbraw/zinc/81/06/55/978810655.db2.gz	BQSNJXVBTAJSDE-QMMMGPOBSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)cc1F	ZINC000793448881	978810442	/nfs/dbraw/zinc/81/04/42/978810442.db2.gz	VVPLWSROIUMPRW-MRVPVSSYSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)cc1F	ZINC000793448884	978810764	/nfs/dbraw/zinc/81/07/64/978810764.db2.gz	VVPLWSROIUMPRW-QMMMGPOBSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)ccc1C(=O)[O-]	ZINC000793448894	978810510	/nfs/dbraw/zinc/81/05/10/978810510.db2.gz	VYTLWDPIIUVAIU-JTQLQIEISA-N	-2	0	379.398	-0.143	20	50		GBGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)ccc1C(=O)[O-]	ZINC000793448896	978810464	/nfs/dbraw/zinc/81/04/64/978810464.db2.gz	VYTLWDPIIUVAIU-SNVBAGLBSA-N	-2	0	379.398	-0.143	20	50		GBGDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCc2nncn2C1	ZINC000793449289	978810454	/nfs/dbraw/zinc/81/04/54/978810454.db2.gz	AJTCCWMDRBMMQJ-LLVKDONJSA-N	-2	0	379.398	-0.143	20	50		GBGDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)[C@H]1CCc2nncn2C1	ZINC000793449292	978810682	/nfs/dbraw/zinc/81/06/82/978810682.db2.gz	AJTCCWMDRBMMQJ-NSHDSACASA-N	-2	0	379.398	-0.143	20	50		GBGDRL
Cc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)cc1C(=O)[O-]	ZINC000793450395	978810811	/nfs/dbraw/zinc/81/08/11/978810811.db2.gz	LPLHREPLGZPEGV-JTQLQIEISA-N	-2	0	379.398	-0.143	20	50		GBGDRL
Cc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)cc1C(=O)[O-]	ZINC000793450397	978810305	/nfs/dbraw/zinc/81/03/05/978810305.db2.gz	LPLHREPLGZPEGV-SNVBAGLBSA-N	-2	0	379.398	-0.143	20	50		GBGDRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)c1	ZINC000793450776	978810426	/nfs/dbraw/zinc/81/04/26/978810426.db2.gz	OBIWWRYOSRWBRL-SECBINFHSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)c1	ZINC000793450777	978810232	/nfs/dbraw/zinc/81/02/32/978810232.db2.gz	OBIWWRYOSRWBRL-VIFPVBQESA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)ccc1F	ZINC000793451918	978810615	/nfs/dbraw/zinc/81/06/15/978810615.db2.gz	VFSYXKXHGRSSCD-MRVPVSSYSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)ccc1F	ZINC000793451919	978810277	/nfs/dbraw/zinc/81/02/77/978810277.db2.gz	VFSYXKXHGRSSCD-QMMMGPOBSA-N	-2	0	383.361	-0.313	20	50		GBGDRL
O=C([O-])[C@@H]1CN(C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)CCO1	ZINC000819194743	955437233	/nfs/dbraw/zinc/43/72/33/955437233.db2.gz	JAAQSANHTKINMQ-JTQLQIEISA-N	-2	0	385.402	-0.881	20	50		GBGDRL
O=C([O-])[C@H]1CN(C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)CCO1	ZINC000819194745	955437020	/nfs/dbraw/zinc/43/70/20/955437020.db2.gz	JAAQSANHTKINMQ-SNVBAGLBSA-N	-2	0	385.402	-0.881	20	50		GBGDRL
O=C(Cn1cnc(-c2nnn[n-]2)n1)N[N-]C(=O)C(F)(F)Oc1ccccc1	ZINC000823131087	946324132	/nfs/dbraw/zinc/32/41/32/946324132.db2.gz	BXPWFRHZUACCCA-UHFFFAOYSA-N	-2	0	379.287	-0.723	20	50		GBGDRL
O=C(Cn1cnc(-c2nnn[n-]2)n1)N[N-]C(=O)c1cc(-c2ccccc2)on1	ZINC000823131676	946326171	/nfs/dbraw/zinc/32/61/71/946326171.db2.gz	LVKBCCVYAYEEKR-UHFFFAOYSA-N	-2	0	380.328	-0.426	20	50		GBGDRL
O=C(Cn1cnc(-c2nnn[n-]2)n1)N[N-]C(=O)c1ccc(Br)s1	ZINC000823132082	946327557	/nfs/dbraw/zinc/32/75/57/946327557.db2.gz	YUODQTXZTFDDFY-UHFFFAOYSA-N	-2	0	398.206	-0.257	20	50		GBGDRL
CC(C)(CNC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1)NC(=O)[O-]	ZINC000823941279	603457676	/nfs/dbraw/zinc/45/76/76/603457676.db2.gz	HMEIFIRFVSVILJ-UHFFFAOYSA-N	-2	0	386.434	-0.030	20	50		GBGDRL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1	ZINC000826423864	608580184	/nfs/dbraw/zinc/58/01/84/608580184.db2.gz	KKOAXYANHAGMPJ-UHFFFAOYSA-N	-2	0	387.751	-0.557	20	50		GBGDRL
O=C([N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)c1cnccn1	ZINC000826445342	609526378	/nfs/dbraw/zinc/52/63/78/609526378.db2.gz	QCHIUIDKOUQSLO-UHFFFAOYSA-N	-2	0	380.777	-0.067	20	50		GBGDRL
CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c1	ZINC000827480064	603803204	/nfs/dbraw/zinc/80/32/04/603803204.db2.gz	CXXDPGBWJVSGLN-UHFFFAOYSA-N	-2	0	376.366	-0.169	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000827768481	601330337	/nfs/dbraw/zinc/33/03/37/601330337.db2.gz	SIUWLNLEJUDZSI-BZJXQOFCSA-N	-2	0	391.427	-0.968	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000827768482	601330595	/nfs/dbraw/zinc/33/05/95/601330595.db2.gz	SIUWLNLEJUDZSI-QRJSTWQJSA-N	-2	0	391.427	-0.968	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000827768483	601330457	/nfs/dbraw/zinc/33/04/57/601330457.db2.gz	SIUWLNLEJUDZSI-RDOCRHDPSA-N	-2	0	391.427	-0.968	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000827768484	601330393	/nfs/dbraw/zinc/33/03/93/601330393.db2.gz	SIUWLNLEJUDZSI-WHXYTISESA-N	-2	0	391.427	-0.968	20	50		GBGDRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000827768633	601828940	/nfs/dbraw/zinc/82/89/40/601828940.db2.gz	UVDNKCDXPKIINB-LURJTMIESA-N	-2	0	399.834	-0.715	20	50		GBGDRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000827768634	601828936	/nfs/dbraw/zinc/82/89/36/601828936.db2.gz	UVDNKCDXPKIINB-ZCFIWIBFSA-N	-2	0	399.834	-0.715	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)c[nH]1	ZINC000828761221	603398757	/nfs/dbraw/zinc/39/87/57/603398757.db2.gz	QGRDEFCZHBYZTJ-UHFFFAOYSA-N	-2	0	389.390	-0.564	20	50		GBGDRL
Cc1c(C(=O)[N-]NC(=O)[C@H]2COCCO2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000829854391	603644991	/nfs/dbraw/zinc/64/49/91/603644991.db2.gz	HYKOBIWYTHBVLE-LLVKDONJSA-N	-2	0	382.377	-0.922	20	50		GBGDRL
Cc1c(C(=O)[N-]NC(=O)[C@@H]2COCCO2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000829854404	603645128	/nfs/dbraw/zinc/64/51/28/603645128.db2.gz	HYKOBIWYTHBVLE-NSHDSACASA-N	-2	0	382.377	-0.922	20	50		GBGDRL
CCOc1ccc(C(=O)N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1OC	ZINC000830064402	600672146	/nfs/dbraw/zinc/67/21/46/600672146.db2.gz	RTMCVUBVSMLAMY-UHFFFAOYSA-N	-2	0	398.397	-0.002	20	50		GBGDRL
CCOc1ccccc1OCC(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000830109718	600671775	/nfs/dbraw/zinc/67/17/75/600671775.db2.gz	KCRRUNKMBYHESI-UHFFFAOYSA-N	-2	0	398.397	-0.245	20	50		GBGDRL
CCc1ccccc1OCC(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000830282489	600671665	/nfs/dbraw/zinc/67/16/65/600671665.db2.gz	YTDSBFBTFFOARW-UHFFFAOYSA-N	-2	0	382.398	-0.081	20	50		GBGDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000830942601	603624956	/nfs/dbraw/zinc/62/49/56/603624956.db2.gz	NSLCQZVHZWWSDO-UHFFFAOYSA-N	-3	0	390.374	-0.079	20	50		GBGDRL
Cc1oc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])cc1S(=O)(=O)N(C)C	ZINC000830943007	603922076	/nfs/dbraw/zinc/92/20/76/603922076.db2.gz	SQNHYJQEQQKVTO-UHFFFAOYSA-N	-2	0	377.379	-0.950	20	50		GBGDRL
Cn1c(Cl)ncc1S(=O)(=O)[N-]NC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000830978529	604751476	/nfs/dbraw/zinc/75/14/76/604751476.db2.gz	HMLZLZBYZMWKQZ-UHFFFAOYSA-N	-2	0	380.814	-0.292	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)nc1Cl	ZINC000831018953	605172894	/nfs/dbraw/zinc/17/28/94/605172894.db2.gz	TXTKZVCZAIPLNJ-UHFFFAOYSA-N	-3	0	380.814	-0.292	20	50		GBGDRL
O=C([O-])N1CC(OCC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000831537537	603471364	/nfs/dbraw/zinc/47/13/64/603471364.db2.gz	FRIINQNTHRBYAK-UHFFFAOYSA-N	-3	0	375.341	-0.282	20	50		GBGDRL
O=C([O-])N1CC(OCC(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831538290	603743499	/nfs/dbraw/zinc/74/34/99/603743499.db2.gz	YZXWZBVKTOAFMY-UHFFFAOYSA-N	-2	0	385.402	-0.881	20	50		GBGDRL
O=C([O-])N1CCO[C@H](C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736352	604647340	/nfs/dbraw/zinc/64/73/40/604647340.db2.gz	KBNRLFVRLAMRLL-JTQLQIEISA-N	-2	0	385.402	-0.881	20	50		GBGDRL
O=C([O-])N1CCO[C@@H](C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736353	604647578	/nfs/dbraw/zinc/64/75/78/604647578.db2.gz	KBNRLFVRLAMRLL-SNVBAGLBSA-N	-2	0	385.402	-0.881	20	50		GBGDRL
O=C([O-])N1CC[C@@](F)(C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736426	603822426	/nfs/dbraw/zinc/82/24/26/603822426.db2.gz	LSBGJJFQPSEYFU-AWEZNQCLSA-N	-2	0	387.393	-0.167	20	50		GBGDRL
O=C([O-])N1CC[C@](F)(C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736430	603822419	/nfs/dbraw/zinc/82/24/19/603822419.db2.gz	LSBGJJFQPSEYFU-CQSZACIVSA-N	-2	0	387.393	-0.167	20	50		GBGDRL
O=C([O-])N1CCO[C@@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000831736846	605246458	/nfs/dbraw/zinc/24/64/58/605246458.db2.gz	WMXAHFVOTKHHPW-GFCCVEGCSA-N	-3	0	375.341	-0.282	20	50		GBGDRL
O=C([O-])N1CCO[C@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000831736847	605246892	/nfs/dbraw/zinc/24/68/92/605246892.db2.gz	WMXAHFVOTKHHPW-LBPRGKRZSA-N	-3	0	375.341	-0.282	20	50		GBGDRL
O=C([O-])N1CCC(NC(=O)N[N-]S(=O)(=O)c2cccc3nonc32)CC1	ZINC000831742403	604752327	/nfs/dbraw/zinc/75/23/27/604752327.db2.gz	DVOFJGRVHDZDBB-UHFFFAOYSA-N	-2	0	384.374	-0.142	20	50		GBGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2cn(Cc3ccccn3)nn2)CC1	ZINC000831742571	602953664	/nfs/dbraw/zinc/95/36/64/602953664.db2.gz	KPUPYJGBQGJFKK-UHFFFAOYSA-N	-2	0	388.388	-0.192	20	50		GBGDRL
COc1cc(OC)cc(C(=O)N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000832041188	600672003	/nfs/dbraw/zinc/67/20/03/600672003.db2.gz	PYLDIEPHNLAHCF-UHFFFAOYSA-N	-2	0	384.370	-0.392	20	50		GBGDRL
COc1ccc(C(=O)N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1OC	ZINC000832174617	600671916	/nfs/dbraw/zinc/67/19/16/600671916.db2.gz	BYARLZJJFTVKFC-UHFFFAOYSA-N	-2	0	384.370	-0.392	20	50		GBGDRL
COc1ccc(C(=O)N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(OC)c1	ZINC000832174630	600681491	/nfs/dbraw/zinc/68/14/91/600681491.db2.gz	CRWVGCANCGRYIP-UHFFFAOYSA-N	-2	0	384.370	-0.392	20	50		GBGDRL
O=C([O-])NCc1nc(C(=O)[N-]NC(=O)CNC(=O)c2cccnc2)cs1	ZINC000832734672	604515684	/nfs/dbraw/zinc/51/56/84/604515684.db2.gz	JSKYKWCPBOTOEP-UHFFFAOYSA-N	-2	0	378.370	-0.503	20	50		GBGDRL
Cc1ccc(NC(=O)C(=O)N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C	ZINC000832943417	600672586	/nfs/dbraw/zinc/67/25/86/600672586.db2.gz	XYDDJLMEBKBQTL-UHFFFAOYSA-N	-2	0	395.397	-0.467	20	50		GBGDRL
Cc1nc2ccccn2c1C(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833005858	600671701	/nfs/dbraw/zinc/67/17/01/600671701.db2.gz	HXXKTRRATNHZJJ-UHFFFAOYSA-N	-2	0	378.370	-0.453	20	50		GBGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)[O-]	ZINC000833027553	601231380	/nfs/dbraw/zinc/23/13/80/601231380.db2.gz	VWYCREHPYHKDNT-UHFFFAOYSA-N	-2	0	392.353	-0.115	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C(=O)[O-]	ZINC000833053853	600817604	/nfs/dbraw/zinc/81/76/04/600817604.db2.gz	AUOBNKUMKXBSTD-UHFFFAOYSA-N	-3	0	384.326	-0.040	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)[O-]	ZINC000833054154	600809782	/nfs/dbraw/zinc/80/97/82/600809782.db2.gz	ORWFOZIMKNSRBQ-UHFFFAOYSA-N	-2	0	391.369	-0.678	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)[C@H]2COc3ccccc3O2)cc1C(=O)[O-]	ZINC000833054165	600808634	/nfs/dbraw/zinc/80/86/34/600808634.db2.gz	PTHOFWWTZFCEEW-CYBMUJFWSA-N	-2	0	381.366	-0.127	20	50		GBGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2COc3ccccc3O2)cc1C(=O)[O-]	ZINC000833054166	600808529	/nfs/dbraw/zinc/80/85/29/600808529.db2.gz	PTHOFWWTZFCEEW-ZDUSSCGKSA-N	-2	0	381.366	-0.127	20	50		GBGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)CNC(=O)c1ccco1	ZINC000833109541	601861889	/nfs/dbraw/zinc/86/18/89/601861889.db2.gz	HCZIBNDYFCVHBX-UHFFFAOYSA-N	-2	0	385.329	-0.144	20	50		GBGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)CNC(=O)c1cccs1	ZINC000833109671	601839988	/nfs/dbraw/zinc/83/99/88/601839988.db2.gz	OPWCQGBNLFKLQP-UHFFFAOYSA-N	-2	0	390.424	-0.358	20	50		GBGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)c1ccc(-n2cnnn2)cc1	ZINC000833148143	601832976	/nfs/dbraw/zinc/83/29/76/601832976.db2.gz	BQFSOJACYXQHSE-UHFFFAOYSA-N	-2	0	395.382	-0.560	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)c[nH]1	ZINC000833148244	600673266	/nfs/dbraw/zinc/67/32/66/600673266.db2.gz	HAIPTUBCQDRFJQ-UHFFFAOYSA-N	-2	0	377.342	-0.688	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)[C@H]2COc3ccccc3O2)cn1	ZINC000833274838	600671802	/nfs/dbraw/zinc/67/18/02/600671802.db2.gz	JJKWPFBNWGEXRK-GFCCVEGCSA-N	-2	0	382.354	-0.883	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2COc3ccccc3O2)cn1	ZINC000833274839	600671757	/nfs/dbraw/zinc/67/17/57/600671757.db2.gz	JJKWPFBNWGEXRK-LBPRGKRZSA-N	-2	0	382.354	-0.883	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)Cn2ccc3ccccc32)cn1	ZINC000833275123	600682262	/nfs/dbraw/zinc/68/22/62/600682262.db2.gz	SKZXRNHNOPGQQB-UHFFFAOYSA-N	-2	0	377.382	-0.068	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)C(F)(F)Oc2ccccc2)cn1	ZINC000833275309	600686367	/nfs/dbraw/zinc/68/63/67/600686367.db2.gz	VUCQVJUWCDWLDI-UHFFFAOYSA-N	-3	0	390.324	-0.051	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)c2cc(Br)c[nH]2)cn1	ZINC000833275336	600673180	/nfs/dbraw/zinc/67/31/80/600673180.db2.gz	WJAKPUDKLDVRPN-UHFFFAOYSA-N	-2	0	392.191	-0.318	20	50		GBGDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)c2cnn(-c3ccccc3)c2)cn1	ZINC000833275349	600683425	/nfs/dbraw/zinc/68/34/25/600683425.db2.gz	WJHLYYATSJXLEU-UHFFFAOYSA-N	-2	0	390.381	-0.223	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)C2CCN(c3ncccn3)CC2)c[nH]1	ZINC000833304111	600682240	/nfs/dbraw/zinc/68/22/40/600682240.db2.gz	QFGWARHUPYGAPU-UHFFFAOYSA-N	-2	0	394.413	-0.271	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2COCCO2)c([N+](=O)[O-])c1	ZINC000833323346	600817669	/nfs/dbraw/zinc/81/76/69/600817669.db2.gz	DZSGYWRSWAGXNA-SECBINFHSA-N	-2	0	375.315	-0.982	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2COCCO2)c([N+](=O)[O-])c1	ZINC000833323347	600817462	/nfs/dbraw/zinc/81/74/62/600817462.db2.gz	DZSGYWRSWAGXNA-VIFPVBQESA-N	-2	0	375.315	-0.982	20	50		GBGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)cc1	ZINC000833323659	601357670	/nfs/dbraw/zinc/35/76/70/601357670.db2.gz	XQPBQAPDYGOWOT-UHFFFAOYSA-N	-2	0	388.365	-0.016	20	50		GBGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)[C@H]1COc2ccccc2O1	ZINC000833345263	601831644	/nfs/dbraw/zinc/83/16/44/601831644.db2.gz	OVIMKHBGCDCLCW-SECBINFHSA-N	-2	0	385.379	-0.009	20	50		GBGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)[C@@H]1COc2ccccc2O1	ZINC000833345264	601831766	/nfs/dbraw/zinc/83/17/66/601831766.db2.gz	OVIMKHBGCDCLCW-VIFPVBQESA-N	-2	0	385.379	-0.009	20	50		GBGDRL
CC(=NNC(=O)NCC(=O)[O-])c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000833384779	605589999	/nfs/dbraw/zinc/58/99/99/605589999.db2.gz	MNLOMKWUXQCCJM-UHFFFAOYSA-N	-2	0	386.386	-0.453	20	50		GBGDRL
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000833437559	605289803	/nfs/dbraw/zinc/28/98/03/605289803.db2.gz	BCWHIPJIDLRKFK-UHFFFAOYSA-N	-2	0	389.386	-0.075	20	50		GBGDRL
CC(C)(C)OC(=O)NCC(=O)N[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833437563	605289564	/nfs/dbraw/zinc/28/95/64/605289564.db2.gz	BHUDRRROWDPWPB-UHFFFAOYSA-N	-2	0	380.404	-0.325	20	50		GBGDRL
CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])c1	ZINC000833687351	605599499	/nfs/dbraw/zinc/59/94/99/605599499.db2.gz	OKYZVCFRJOPXGG-UHFFFAOYSA-N	-2	0	378.794	-0.381	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)N2CCOCC2)c(OC)c1C(=O)[O-]	ZINC000833734193	604861164	/nfs/dbraw/zinc/86/11/64/604861164.db2.gz	NDTJDOFRAQEBKB-UHFFFAOYSA-N	-2	0	389.386	-0.363	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)c2cnn(C)c2)c(OC)c1C(=O)[O-]	ZINC000833734253	604861248	/nfs/dbraw/zinc/86/12/48/604861248.db2.gz	QYDQDMNYFUDAHO-UHFFFAOYSA-N	-2	0	384.370	-0.241	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2COCCO2)c(OC)c1C(=O)[O-]	ZINC000833734264	604861231	/nfs/dbraw/zinc/86/12/31/604861231.db2.gz	RYDMATPTJSIEOS-SECBINFHSA-N	-2	0	390.370	-0.873	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2COCCO2)c(OC)c1C(=O)[O-]	ZINC000833734265	604861154	/nfs/dbraw/zinc/86/11/54/604861154.db2.gz	RYDMATPTJSIEOS-VIFPVBQESA-N	-2	0	390.370	-0.873	20	50		GBGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)C(=O)NC(C)C)c(OC)c1C(=O)[O-]	ZINC000833734283	604859450	/nfs/dbraw/zinc/85/94/50/604859450.db2.gz	SZHFDZAXFWRUOZ-UHFFFAOYSA-N	-2	0	389.386	-0.764	20	50		GBGDRL
CCOC(=O)c1cnc(=NNC(=O)CN2CCN(C(=O)[O-])CC2=O)[n-]c1C	ZINC000833861467	605441986	/nfs/dbraw/zinc/44/19/86/605441986.db2.gz	QUPDGHFWQQICND-UHFFFAOYSA-N	-2	0	380.361	-0.773	20	50		GBGDRL
CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1[O-]	ZINC000833896084	605482571	/nfs/dbraw/zinc/48/25/71/605482571.db2.gz	ZNVNCTITSSOLHQ-SECBINFHSA-N	-2	0	393.805	-0.123	20	50		GBGDRL
CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1[O-]	ZINC000833896085	605482954	/nfs/dbraw/zinc/48/29/54/605482954.db2.gz	ZNVNCTITSSOLHQ-VIFPVBQESA-N	-2	0	393.805	-0.123	20	50		GBGDRL
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833901517	605391347	/nfs/dbraw/zinc/39/13/47/605391347.db2.gz	PKTNKLBUDGJVCX-UHFFFAOYSA-N	-2	0	379.416	-0.716	20	50		GBGDRL
Cc1oc(C(=O)[N-]NC(=O)CCNC(=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000833934209	605841647	/nfs/dbraw/zinc/84/16/47/605841647.db2.gz	CDUHUOXIFSSVSR-UHFFFAOYSA-N	-2	0	388.402	-0.209	20	50		GBGDRL
Cc1oc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])cc1S(=O)(=O)N(C)C	ZINC000833934330	605974429	/nfs/dbraw/zinc/97/44/29/605974429.db2.gz	GTOBIYGHZBLXBS-UHFFFAOYSA-N	-2	0	376.391	-0.353	20	50		GBGDRL
Cn1c2ccc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])cc2n(C)c1=O	ZINC000833940707	605803694	/nfs/dbraw/zinc/80/36/94/605803694.db2.gz	SZGOWTYHFRDPEE-UHFFFAOYSA-N	-2	0	385.402	-0.766	20	50		GBGDRL
Cn1nc(C(=O)N[N-]C(=O)c2cnc(NC(=O)[O-])cn2)c2ccccc2c1=O	ZINC000833957801	606053207	/nfs/dbraw/zinc/05/32/07/606053207.db2.gz	SYEOTGQFAUINTJ-UHFFFAOYSA-N	-2	0	383.324	-0.112	20	50		GBGDRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])c1	ZINC000833961721	605801040	/nfs/dbraw/zinc/80/10/40/605801040.db2.gz	WDLNGBKRCZRYON-UHFFFAOYSA-N	-2	0	383.390	-0.766	20	50		GBGDRL
N#Cc1cc(Br)cc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833969161	605391454	/nfs/dbraw/zinc/39/14/54/605391454.db2.gz	ADJYSMJLTQATQD-UHFFFAOYSA-N	-2	0	377.176	-0.102	20	50		GBGDRL
O=C([O-])N1CC(CNC(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1	ZINC000834034856	605728726	/nfs/dbraw/zinc/72/87/26/605728726.db2.gz	AZMYOTVFKUJOPT-UHFFFAOYSA-N	-2	0	384.418	-0.467	20	50		GBGDRL
O=C([O-])N1CCC(NC(=O)N[N-]S(=O)(=O)c2cn3c(n2)CCCC3)CC1	ZINC000834046763	605751818	/nfs/dbraw/zinc/75/18/18/605751818.db2.gz	DKSBWZLYAHKBKD-UHFFFAOYSA-N	-2	0	386.434	-0.146	20	50		GBGDRL
O=C([O-])COc1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])cc1Cl	ZINC000834066429	605393204	/nfs/dbraw/zinc/39/32/04/605393204.db2.gz	UDGKKPLWSJHUEY-UHFFFAOYSA-N	-3	0	381.750	-0.620	20	50		GBGDRL
O=C([O-])NCC(=O)NCC(=O)N[N-]C(=O)c1ccc(Br)s1	ZINC000834199005	605336982	/nfs/dbraw/zinc/33/69/82/605336982.db2.gz	SVLBCFBCQXFVFO-UHFFFAOYSA-N	-2	0	379.192	-0.345	20	50		GBGDRL
O=C([O-])NCC(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	ZINC000834199311	605395657	/nfs/dbraw/zinc/39/56/57/605395657.db2.gz	YJBRNTCXHDYJGJ-UHFFFAOYSA-N	-2	0	378.320	-0.639	20	50		GBGDRL
O=C([O-])NCC(=O)NNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1	ZINC000834202784	605984983	/nfs/dbraw/zinc/98/49/83/605984983.db2.gz	BHOYTNQOLMQTGB-UHFFFAOYSA-N	-2	0	384.292	-0.023	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1	ZINC000834202820	605460988	/nfs/dbraw/zinc/46/09/88/605460988.db2.gz	CVYOECBNSBCAIM-UHFFFAOYSA-N	-2	0	390.331	-0.426	20	50		GBGDRL
O=C([O-])NCC(=O)NNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000834202855	605467022	/nfs/dbraw/zinc/46/70/22/605467022.db2.gz	FMZYAJZDZBEHEX-UHFFFAOYSA-N	-2	0	384.292	-0.023	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccc(-n2cc(Br)cn2)nn1	ZINC000834203190	605470986	/nfs/dbraw/zinc/47/09/86/605470986.db2.gz	KAHQUQZHAYYYSQ-UHFFFAOYSA-N	-2	0	384.150	-0.547	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1sccc1S(=O)(=O)N1CCCCC1	ZINC000834203309	605471403	/nfs/dbraw/zinc/47/14/03/605471403.db2.gz	QBFCVUOHCACZQP-UHFFFAOYSA-N	-2	0	390.443	-0.049	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000834203538	605468404	/nfs/dbraw/zinc/46/84/04/605468404.db2.gz	WITVTMGCQRSLQJ-UHFFFAOYSA-N	-2	0	376.416	-0.439	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000834203559	605459131	/nfs/dbraw/zinc/45/91/31/605459131.db2.gz	SVXKSDUKXRNKTR-UHFFFAOYSA-N	-2	0	387.150	-0.290	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F	ZINC000834203604	605464633	/nfs/dbraw/zinc/46/46/33/605464633.db2.gz	UVRCYHSMVOYMDB-UHFFFAOYSA-N	-2	0	392.340	-0.566	20	50		GBGDRL
O=C([O-])NCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000834203714	605464576	/nfs/dbraw/zinc/46/45/76/605464576.db2.gz	XMQQURSYDLNNBI-UHFFFAOYSA-N	-2	0	386.386	-0.795	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000834203905	605392948	/nfs/dbraw/zinc/39/29/48/605392948.db2.gz	KWBKZKMHIQTVDW-UHFFFAOYSA-N	-2	0	384.292	-0.236	20	50		GBGDRL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F	ZINC000834203997	605752479	/nfs/dbraw/zinc/75/24/79/605752479.db2.gz	QTSMDOKWNLPVKV-UHFFFAOYSA-N	-4	0	387.704	-0.107	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1	ZINC000834204007	605390083	/nfs/dbraw/zinc/39/00/83/605390083.db2.gz	RGVNJJMCWNSVET-UHFFFAOYSA-N	-2	0	388.377	-0.361	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000834204069	605752645	/nfs/dbraw/zinc/75/26/45/605752645.db2.gz	WHSGPMVTZXCBBE-UHFFFAOYSA-N	-2	0	393.381	-0.089	20	50		GBGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000834204075	605394517	/nfs/dbraw/zinc/39/45/17/605394517.db2.gz	WRWZEUOGIIRZHE-UHFFFAOYSA-N	-3	0	385.276	-0.019	20	50		GBGDRL
O=C([O-])NCC(=O)NNC(=O)N[N-]C(=O)c1ccc(Br)s1	ZINC000834204975	605493780	/nfs/dbraw/zinc/49/37/80/605493780.db2.gz	RKGIKMGOZHGVEC-UHFFFAOYSA-N	-2	0	380.180	-0.247	20	50		GBGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000834229198	605844363	/nfs/dbraw/zinc/84/43/63/605844363.db2.gz	ZZQHLYDFLGAWGT-UHFFFAOYSA-N	-2	0	390.443	-0.049	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000834229621	605974556	/nfs/dbraw/zinc/97/45/56/605974556.db2.gz	BDLNYFRHOGOLJI-UHFFFAOYSA-N	-2	0	388.402	-0.127	20	50		GBGDRL
O=C([O-])NCCCC(=O)NNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000834230446	605995373	/nfs/dbraw/zinc/99/53/73/605995373.db2.gz	FCYWXSHVYFYLCQ-UHFFFAOYSA-N	-2	0	379.398	-0.120	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1nc2ncc(Br)cn2n1	ZINC000834230810	605976341	/nfs/dbraw/zinc/97/63/41/605976341.db2.gz	CPCXZONPQCKXJB-UHFFFAOYSA-N	-2	0	386.166	-0.304	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000834231814	605804192	/nfs/dbraw/zinc/80/41/92/605804192.db2.gz	KGUFDWAFSNOPMZ-UHFFFAOYSA-N	-2	0	387.418	-0.392	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000834231918	605804586	/nfs/dbraw/zinc/80/45/86/605804586.db2.gz	LLQAFLBTMLVGSA-UHFFFAOYSA-N	-2	0	384.414	-0.064	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1	ZINC000834232026	605804467	/nfs/dbraw/zinc/80/44/67/605804467.db2.gz	NHJHLXZWEOOFRB-UHFFFAOYSA-N	-2	0	375.407	-0.408	20	50		GBGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000834232339	605802647	/nfs/dbraw/zinc/80/26/47/605802647.db2.gz	SGVACDKQQXKEMB-UHFFFAOYSA-N	-2	0	391.427	-0.626	20	50		GBGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1nccn2c(Br)cnc12	ZINC000834243049	605646411	/nfs/dbraw/zinc/64/64/11/605646411.db2.gz	GJJSMMQZEKCJLQ-UHFFFAOYSA-N	-2	0	386.166	-0.297	20	50		GBGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cnn2cc(Br)cnc12	ZINC000834243372	605650348	/nfs/dbraw/zinc/65/03/48/605650348.db2.gz	LTFJEZUCLWGMFF-UHFFFAOYSA-N	-2	0	386.166	-0.297	20	50		GBGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000834243440	605839013	/nfs/dbraw/zinc/83/90/13/605839013.db2.gz	MPFFCEGQLXGQTQ-UHFFFAOYSA-N	-2	0	377.317	-0.008	20	50		GBGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)c2csc(N3CCOCC3)n2)cn1	ZINC000834277062	606001392	/nfs/dbraw/zinc/00/13/92/606001392.db2.gz	RSXKDKLNJAYSSN-UHFFFAOYSA-N	-2	0	393.385	-0.066	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCC(=O)N2)c(Cl)cc1F	ZINC000863412206	979662643	/nfs/dbraw/zinc/66/26/43/979662643.db2.gz	IWXZSMDULLCOHD-MRVPVSSYSA-N	-2	0	379.753	-0.235	20	50		GBGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCC(=O)N2)c(Cl)cc1F	ZINC000863412207	979662506	/nfs/dbraw/zinc/66/25/06/979662506.db2.gz	IWXZSMDULLCOHD-QMMMGPOBSA-N	-2	0	379.753	-0.235	20	50		GBGDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCC(=O)N1	ZINC000863412890	979662661	/nfs/dbraw/zinc/66/26/61/979662661.db2.gz	OHJZMTBVPGMSEL-SECBINFHSA-N	-2	0	375.790	-0.065	20	50		GBGDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCC(=O)N1	ZINC000863412891	979662371	/nfs/dbraw/zinc/66/23/71/979662371.db2.gz	OHJZMTBVPGMSEL-VIFPVBQESA-N	-2	0	375.790	-0.065	20	50		GBGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)COc2ccc(Br)cc2)nn1	ZINC001574743301	957693089	/nfs/dbraw/zinc/69/30/89/957693089.db2.gz	OQHMCVYCGTWJEE-UHFFFAOYSA-N	-2	0	398.173	-0.035	20	50		GBGDRL
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588631002	959608868	/nfs/dbraw/zinc/60/88/68/959608868.db2.gz	XPKZCSYEDADCPN-PSASIEDQSA-N	-2	0	396.366	-0.224	20	50		GBGDRL
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588631003	959609411	/nfs/dbraw/zinc/60/94/11/959609411.db2.gz	XPKZCSYEDADCPN-SCZZXKLOSA-N	-2	0	396.366	-0.224	20	50		GBGDRL
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588631004	959608744	/nfs/dbraw/zinc/60/87/44/959608744.db2.gz	XPKZCSYEDADCPN-WCBMZHEXSA-N	-2	0	396.366	-0.224	20	50		GBGDRL
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588631005	959608714	/nfs/dbraw/zinc/60/87/14/959608714.db2.gz	XPKZCSYEDADCPN-WPRPVWTQSA-N	-2	0	396.366	-0.224	20	50		GBGDRL
CC(=O)N1CCc2ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc2CC1	ZINC001589093301	985282517	/nfs/dbraw/zinc/28/25/17/985282517.db2.gz	MJDMAYWKVRXGND-UHFFFAOYSA-N	-2	0	384.414	-0.789	20	50		GBGDRL
CC(C)(CS(=O)(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1)C(=O)[O-]	ZINC001590820836	990658720	/nfs/dbraw/zinc/65/87/20/990658720.db2.gz	YSNQNRCSYTXEIX-UHFFFAOYSA-N	-2	0	392.459	-0.345	20	50		GBGDRL
O=C([O-])C1(C(=O)NNC(=O)c2c(=O)[nH]c3ccccc3c2[O-])CCOCC1	ZINC001594782494	953645727	/nfs/dbraw/zinc/64/57/27/953645727.db2.gz	BBVPOOJPZQAIDO-LLVKDONJSA-N	-2	0	375.337	-0.534	20	50		GBGDRL
O=C([O-])C1(C(=O)NNC(=O)c2c(=O)[nH]c3ccccc3c2[O-])CCOCC1	ZINC001594782510	953646048	/nfs/dbraw/zinc/64/60/48/953646048.db2.gz	BBVPOOJPZQAIDO-NSHDSACASA-N	-2	0	375.337	-0.534	20	50		GBGDRL
O=C([O-])CC1(C(=O)NNC(=O)c2c(=O)[nH]c3ccccc3c2[O-])CCOCC1	ZINC001594976379	950918792	/nfs/dbraw/zinc/91/87/92/950918792.db2.gz	PASUTHQPTQZNKZ-CYBMUJFWSA-N	-2	0	389.364	-0.144	20	50		GBGDRL
O=C([O-])CC1(C(=O)NNC(=O)c2c(=O)[nH]c3ccccc3c2[O-])CCOCC1	ZINC001594976380	950918159	/nfs/dbraw/zinc/91/81/59/950918159.db2.gz	PASUTHQPTQZNKZ-ZDUSSCGKSA-N	-2	0	389.364	-0.144	20	50		GBGDRL
O=C([O-])c1cnc(C(=O)[N-]NC(=O)c2csc(N3CCOCC3)n2)cn1	ZINC001595266341	949751389	/nfs/dbraw/zinc/75/13/89/949751389.db2.gz	ITHIAXLFFMZTRW-UHFFFAOYSA-N	-2	0	378.370	-0.457	20	50		GBGDRL
COC(=O)CNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001598864285	996700950	/nfs/dbraw/zinc/70/09/50/996700950.db2.gz	FVOMFUVMZBYZTO-UHFFFAOYSA-N	-2	0	383.741	-0.157	20	50		GBGDRL
COC(=O)CNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC001598865183	996703623	/nfs/dbraw/zinc/70/36/23/996703623.db2.gz	UJHKVIRREOCZOI-UHFFFAOYSA-N	-2	0	383.741	-0.157	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])c(Cl)cc1F	ZINC001598955563	998234321	/nfs/dbraw/zinc/23/43/21/998234321.db2.gz	HQFZYIBPZICTFC-UHFFFAOYSA-N	-2	0	383.741	-0.157	20	50		GBGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])c(F)cc1Cl	ZINC001598955941	998240462	/nfs/dbraw/zinc/24/04/62/998240462.db2.gz	URHOBYCGFYHQSR-UHFFFAOYSA-N	-2	0	383.741	-0.157	20	50		GBGDRL
C[C@H](NC(=O)[C@H](C)NC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1)C(=O)[O-]	ZINC001599896942	984764660	/nfs/dbraw/zinc/76/46/60/984764660.db2.gz	BWDLCTLDCDIFPE-IUCAKERBSA-N	-2	0	388.327	-0.034	20	50		GBGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)c2cc(Br)ccc2O)nn1	ZINC001606330620	973760827	/nfs/dbraw/zinc/76/08/27/973760827.db2.gz	KNMZXFCJBYWILP-UHFFFAOYSA-N	-2	0	384.146	-0.094	20	50		GBGDRL