smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])N[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1	ZINC000832134975	603669770	/nfs/dbraw/zinc/66/97/70/603669770.db2.gz	GXDGNFIDMRNQRS-CQSZACIVSA-N	-1	1	382.376	2.386	20	50		GEGDMM
O=C([O-])N[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832136880	603891257	/nfs/dbraw/zinc/89/12/57/603891257.db2.gz	WCQITWWMTCOAJQ-KRWDZBQOSA-N	-1	1	393.403	2.188	20	50		GEGDMM
COc1ccccc1SCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000826221014	608120820	/nfs/dbraw/zinc/12/08/20/608120820.db2.gz	KUIZPYTYIUVLIJ-UHFFFAOYSA-N	-1	1	389.441	2.222	20	50		GEGDMM
O=C([O-])C1(CNC(=O)NNC(=O)c2ccc(Br)s2)CCCC1	ZINC000833135616	601410799	/nfs/dbraw/zinc/41/07/99/601410799.db2.gz	FWORMFWFMHJRHI-UHFFFAOYSA-N	-1	1	390.259	2.100	20	50		GEGDMM
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1	ZINC000825750833	608093594	/nfs/dbraw/zinc/09/35/94/608093594.db2.gz	YGLGMKNZHNGLAB-UHFFFAOYSA-N	-1	1	394.464	2.381	20	50		GEGDMM
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)s1	ZINC000823948230	608110060	/nfs/dbraw/zinc/11/00/60/608110060.db2.gz	IJFOZIGZURRPAL-UHFFFAOYSA-N	-1	1	393.473	2.073	20	50		GEGDMM
O=C([O-])NC[C@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832556392	603750378	/nfs/dbraw/zinc/75/03/78/603750378.db2.gz	LHKDQOLBAVDQHV-MRVPVSSYSA-N	-1	1	375.212	2.080	20	50		GEGDMM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000825830786	605522845	/nfs/dbraw/zinc/52/28/45/605522845.db2.gz	IJHDZZQMVZAFPI-IUCAKERBSA-N	-1	1	389.239	2.468	20	50		GEGDMM
O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1cc(Br)ccc1[O-]	ZINC000826444938	607889856	/nfs/dbraw/zinc/88/98/56/607889856.db2.gz	ZUGMKKYOEHRBLY-UHFFFAOYSA-N	-1	1	387.197	2.099	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H](O)c2ccc(Cl)cc2)o1	ZINC000824358565	608273460	/nfs/dbraw/zinc/27/34/60/608273460.db2.gz	NHUBJVOSHIJEQB-NSHDSACASA-N	-1	1	391.819	2.198	20	50		GEGDMM
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1CCCN1Cc1ccccc1	ZINC000826445282	608574927	/nfs/dbraw/zinc/57/49/27/608574927.db2.gz	NIDGRSHGOYZEEQ-CQSZACIVSA-N	-1	1	398.858	2.023	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826231236	607344135	/nfs/dbraw/zinc/34/41/35/607344135.db2.gz	CQGYLJVQKVUCAK-UHFFFAOYSA-N	-1	1	392.448	2.490	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826231236	607344136	/nfs/dbraw/zinc/34/41/36/607344136.db2.gz	CQGYLJVQKVUCAK-UHFFFAOYSA-N	-1	1	392.448	2.490	20	50		GEGDMM
C[C@@H](C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823701342	604005059	/nfs/dbraw/zinc/00/50/59/604005059.db2.gz	CVTWPWGGQYQHBJ-ABAIWWIYSA-N	-1	1	381.392	2.424	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2cccc(C#N)c2)c1-c1nnn[n-]1	ZINC000826231543	607718743	/nfs/dbraw/zinc/71/87/43/607718743.db2.gz	PJCYHXIWTCTEPE-UHFFFAOYSA-N	-1	1	392.448	2.490	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2cccc(C#N)c2)c1-c1nn[n-]n1	ZINC000826231543	607718745	/nfs/dbraw/zinc/71/87/45/607718745.db2.gz	PJCYHXIWTCTEPE-UHFFFAOYSA-N	-1	1	392.448	2.490	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2csc([C@H]3CCCO3)n2)o1	ZINC000824358361	607889143	/nfs/dbraw/zinc/88/91/43/607889143.db2.gz	IBXAUSJJUDBRQK-SECBINFHSA-N	-1	1	390.429	2.043	20	50		GEGDMM
CC(C)Cn1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C1CC1	ZINC000824284129	608533575	/nfs/dbraw/zinc/53/35/75/608533575.db2.gz	BWCVQHIVAINWIB-UHFFFAOYSA-N	-1	1	399.459	2.465	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)o1	ZINC000824359529	609412958	/nfs/dbraw/zinc/41/29/58/609412958.db2.gz	WOLRWFBRYDTZSY-NWDGAFQWSA-N	-1	1	377.449	2.263	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)o1	ZINC000824359531	609413135	/nfs/dbraw/zinc/41/31/35/609413135.db2.gz	WOLRWFBRYDTZSY-RYUDHWBXSA-N	-1	1	377.449	2.263	20	50		GEGDMM
C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000826052001	601652124	/nfs/dbraw/zinc/65/21/24/601652124.db2.gz	GAJPXLCZIPKQHX-SJKOYZFVSA-N	-1	1	389.839	2.153	20	50		GEGDMM
O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832475955	603750249	/nfs/dbraw/zinc/75/02/49/603750249.db2.gz	RQDKWORQVOEHBO-KWQFWETISA-N	-1	1	389.239	2.374	20	50		GEGDMM
O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1cccc(-c2nn[nH]n2)c1	ZINC000823277548	606154948	/nfs/dbraw/zinc/15/49/48/606154948.db2.gz	PQQOAKLFSJNZLL-UHFFFAOYSA-N	-1	1	375.751	2.126	20	50		GEGDMM
COc1ccc(C[C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1	ZINC000826190578	607980559	/nfs/dbraw/zinc/98/05/59/607980559.db2.gz	GCBORHXVFGKUTB-LLVKDONJSA-N	-1	1	385.428	2.309	20	50		GEGDMM
CCOc1ccccc1OCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1	ZINC000825658284	608092103	/nfs/dbraw/zinc/09/21/03/608092103.db2.gz	CWKKYFIMQRXDHY-UHFFFAOYSA-N	-1	1	386.437	2.246	20	50		GEGDMM
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cn[nH]c1-c1ccccc1F	ZINC000826445632	608580130	/nfs/dbraw/zinc/58/01/30/608580130.db2.gz	CJWYMWQOGRTSSW-UHFFFAOYSA-N	-1	1	399.777	2.201	20	50		GEGDMM
CC(C)(CCC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2)NC(=O)[O-]	ZINC000823889719	603920508	/nfs/dbraw/zinc/92/05/08/603920508.db2.gz	DEXPFXQWVYZEGL-UHFFFAOYSA-N	-1	1	384.440	2.297	20	50		GEGDMM
O=C([O-])N[C@H](CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)Cc1ccccc1	ZINC000832106228	604007354	/nfs/dbraw/zinc/00/73/54/604007354.db2.gz	WYIMCXBFFBHDFL-ZDUSSCGKSA-N	-1	1	381.392	2.048	20	50		GEGDMM
O=C([O-])NCC(=O)NNC(=O)c1cc2sc(Nc3ccccc3)nc2s1	ZINC000834203741	605452554	/nfs/dbraw/zinc/45/25/54/605452554.db2.gz	YULIAOSPJXFYBB-UHFFFAOYSA-N	-1	1	391.434	2.130	20	50		GEGDMM
CC(C)Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc(=O)[nH]1	ZINC000824274891	609258312	/nfs/dbraw/zinc/25/83/12/609258312.db2.gz	MMUXZNZVBVJYAA-UHFFFAOYSA-N	-1	1	386.416	2.034	20	50		GEGDMM
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cc(C)c1OCC(=O)[O-]	ZINC000832864963	601679972	/nfs/dbraw/zinc/67/99/72/601679972.db2.gz	YLWHDEBDJUQHRO-UHFFFAOYSA-N	-1	1	392.795	2.201	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCN(C)c3ccccc32)o1	ZINC000824352501	607566619	/nfs/dbraw/zinc/56/66/19/607566619.db2.gz	FYXYUVGBHSAJDJ-LBPRGKRZSA-N	-1	1	382.428	2.045	20	50		GEGDMM
O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	ZINC000832516462	603864503	/nfs/dbraw/zinc/86/45/03/603864503.db2.gz	WBLLUQJKYJAQQV-ZFWWWQNUSA-N	-1	1	385.424	2.005	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1cccc([N+](=O)[O-])c1	ZINC000826341009	607712611	/nfs/dbraw/zinc/71/26/11/607712611.db2.gz	SJVLODYVHZVJAB-UHFFFAOYSA-N	-1	1	394.351	2.224	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1cccc([N+](=O)[O-])c1	ZINC000826341009	607712613	/nfs/dbraw/zinc/71/26/13/607712613.db2.gz	SJVLODYVHZVJAB-UHFFFAOYSA-N	-1	1	394.351	2.224	20	50		GEGDMM
O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000831742450	603497368	/nfs/dbraw/zinc/49/73/68/603497368.db2.gz	GHJYPXBOUREQDF-OAHLLOKOSA-N	-1	1	379.372	2.299	20	50		GEGDMM
COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000829611258	603497390	/nfs/dbraw/zinc/49/73/90/603497390.db2.gz	LFTFBQGIEFJXRO-MRXNPFEDSA-N	-1	1	383.360	2.211	20	50		GEGDMM
O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832475956	603750385	/nfs/dbraw/zinc/75/03/85/603750385.db2.gz	RQDKWORQVOEHBO-LDYMZIIASA-N	-1	1	389.239	2.374	20	50		GEGDMM
O=C([O-])N[C@@H](CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)Cc1ccccc1	ZINC000832106227	604007264	/nfs/dbraw/zinc/00/72/64/604007264.db2.gz	WYIMCXBFFBHDFL-CYBMUJFWSA-N	-1	1	381.392	2.048	20	50		GEGDMM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000825830783	605522452	/nfs/dbraw/zinc/52/24/52/605522452.db2.gz	IJHDZZQMVZAFPI-BDAKNGLRSA-N	-1	1	389.239	2.468	20	50		GEGDMM
O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000834045286	605744370	/nfs/dbraw/zinc/74/43/70/605744370.db2.gz	NQACIYNURCUSNW-SMDDNHRTSA-N	-1	1	381.816	2.310	20	50		GEGDMM
COc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1Cl	ZINC000826177339	607980583	/nfs/dbraw/zinc/98/05/83/607980583.db2.gz	DSYGFALBCSGQTB-UHFFFAOYSA-N	-1	1	377.792	2.397	20	50		GEGDMM
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)s1	ZINC000823953575	608094390	/nfs/dbraw/zinc/09/43/90/608094390.db2.gz	HSIMYLBKHIXKAG-UHFFFAOYSA-N	-1	1	380.393	2.132	20	50		GEGDMM
O=C([O-])N1CCC[C@@H]1CC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000831339983	603922294	/nfs/dbraw/zinc/92/22/94/603922294.db2.gz	OKPCBVLCSYYGMW-GFCCVEGCSA-N	-1	1	382.424	2.003	20	50		GEGDMM
O=C([O-])NCCCC(=O)NNC(=O)c1cc2cc(Br)ccc2o1	ZINC000834229986	605977376	/nfs/dbraw/zinc/97/73/76/605977376.db2.gz	MYFPUBYEKBUUJU-UHFFFAOYSA-N	-1	1	384.186	2.004	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[O-])cc(-c2nn[nH]n2)n1C	ZINC000826236090	607996252	/nfs/dbraw/zinc/99/62/52/607996252.db2.gz	YDVMSEIEQFNCHC-WZUFQYTHSA-N	-1	1	383.799	2.418	20	50		GEGDMM
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)c([O-])c1	ZINC000826449051	608199174	/nfs/dbraw/zinc/19/91/74/608199174.db2.gz	ZGKXXRCKIYEDJU-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
CCc1sc(C(=O)NNC(=O)CNC2(C(=O)[O-])CCC(CC)CC2)cc1C	ZINC000830403083	601496774	/nfs/dbraw/zinc/49/67/74/601496774.db2.gz	KANOYFNQJMYIBA-UHFFFAOYSA-N	-1	1	395.525	2.393	20	50		GEGDMM
O=C([O-])c1cn(CC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)c2ccccc12	ZINC000833120392	602049053	/nfs/dbraw/zinc/04/90/53/602049053.db2.gz	VPVNKSXFQZLXES-UHFFFAOYSA-N	-1	1	377.360	2.132	20	50		GEGDMM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2cc3cccc(Cl)c3o2)CC1	ZINC000831742989	603891786	/nfs/dbraw/zinc/89/17/86/603891786.db2.gz	YNMNAVGLAWKWGD-UHFFFAOYSA-N	-1	1	380.788	2.173	20	50		GEGDMM
CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000824211864	605155607	/nfs/dbraw/zinc/15/56/07/605155607.db2.gz	UQEMYHJIWAGEFN-HNNXBMFYSA-N	-1	1	384.440	2.153	20	50		GEGDMM
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C	ZINC000833652011	605163858	/nfs/dbraw/zinc/16/38/58/605163858.db2.gz	AVSQRJMMGYSNAZ-JJBLJPBOSA-N	-1	1	386.496	2.429	20	50		GEGDMM
O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000834045284	605744490	/nfs/dbraw/zinc/74/44/90/605744490.db2.gz	NQACIYNURCUSNW-RISCZKNCSA-N	-1	1	381.816	2.310	20	50		GEGDMM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1	ZINC000834229648	605977967	/nfs/dbraw/zinc/97/79/67/605977967.db2.gz	CPDZSPRZZJCHKD-UHFFFAOYSA-N	-1	1	382.829	2.272	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc3ccc(F)cc3c2)o1	ZINC000824358944	607980187	/nfs/dbraw/zinc/98/01/87/607980187.db2.gz	SPQCSYIZIAAQOQ-UHFFFAOYSA-N	-1	1	382.359	2.422	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[O-])cc(-c2nn[nH]n2)n1C	ZINC000826236089	607996366	/nfs/dbraw/zinc/99/63/66/607996366.db2.gz	YDVMSEIEQFNCHC-VZUCSPMQSA-N	-1	1	383.799	2.418	20	50		GEGDMM
CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(-c2nn[n-]n2)s1	ZINC000823948257	608094127	/nfs/dbraw/zinc/09/41/27/608094127.db2.gz	IUPZJIWPPDLZRR-UHFFFAOYSA-N	-1	1	394.258	2.183	20	50		GEGDMM
COc1ccccc1[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000829611256	603497428	/nfs/dbraw/zinc/49/74/28/603497428.db2.gz	LFTFBQGIEFJXRO-INIZCTEOSA-N	-1	1	383.360	2.211	20	50		GEGDMM
CN(C[C@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000828207091	603749675	/nfs/dbraw/zinc/74/96/75/603749675.db2.gz	WFPXGWAASSJJKF-SECBINFHSA-N	-1	1	389.239	2.422	20	50		GEGDMM
CCC(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F	ZINC000825034531	607936430	/nfs/dbraw/zinc/93/64/30/607936430.db2.gz	KLMXGPIYFWWFNT-UHFFFAOYSA-N	-1	1	387.375	2.467	20	50		GEGDMM
CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1OC	ZINC000825631542	608093650	/nfs/dbraw/zinc/09/36/50/608093650.db2.gz	CWVSAZAMYJLQJT-UHFFFAOYSA-N	-1	1	386.437	2.490	20	50		GEGDMM
C[C@@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000826051998	601652094	/nfs/dbraw/zinc/65/20/94/601652094.db2.gz	GAJPXLCZIPKQHX-PXAZEXFGSA-N	-1	1	389.839	2.153	20	50		GEGDMM
Cc1c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cnn1CCC(C)C	ZINC000826234632	607557962	/nfs/dbraw/zinc/55/79/62/607557962.db2.gz	HGEVRXPCCICKEV-UHFFFAOYSA-N	-1	1	387.448	2.286	20	50		GEGDMM
CC(C)(C)c1ccc(-c2ccc(C(=O)NNC(=O)NCCNC(=O)[O-])o2)cc1	ZINC000823854918	602942705	/nfs/dbraw/zinc/94/27/05/602942705.db2.gz	XYSZQBDYWBQXGN-UHFFFAOYSA-N	-1	1	388.424	2.456	20	50		GEGDMM
O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	ZINC000832516458	603864570	/nfs/dbraw/zinc/86/45/70/603864570.db2.gz	WBLLUQJKYJAQQV-HIFRSBDPSA-N	-1	1	385.424	2.005	20	50		GEGDMM
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C	ZINC000833652013	605163330	/nfs/dbraw/zinc/16/33/30/605163330.db2.gz	AVSQRJMMGYSNAZ-QUYZQLMHSA-N	-1	1	386.496	2.429	20	50		GEGDMM
O=C([O-])N1CCC(NC(=O)NN=Cc2cc(Cl)c(O)cc2Cl)CC1	ZINC000834045910	605390208	/nfs/dbraw/zinc/39/02/08/605390208.db2.gz	USZIEOKQVLIRMZ-UHFFFAOYSA-N	-1	1	375.212	2.475	20	50		GEGDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NNC(=O)c3cc4ccccc4o3)C[C@@H]21	ZINC000834182366	605399210	/nfs/dbraw/zinc/39/92/10/605399210.db2.gz	SBGJVGLBRJMRAU-HZSPNIEDSA-N	-1	1	386.408	2.155	20	50		GEGDMM
O=C([O-])NCC(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1	ZINC000834203020	605449512	/nfs/dbraw/zinc/44/95/12/605449512.db2.gz	FELUPDSESPOGRN-UHFFFAOYSA-N	-1	1	376.419	2.053	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2cc(Cl)ccc2[O-])cc(-c2nn[nH]n2)n1C	ZINC000826236001	607995696	/nfs/dbraw/zinc/99/56/96/607995696.db2.gz	WJRANIHPIRMANC-WZUFQYTHSA-N	-1	1	383.799	2.418	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc([C@@H]3CCOC3)c2)o1	ZINC000824358369	608059834	/nfs/dbraw/zinc/05/98/34/608059834.db2.gz	IKFAIJBOQZRLNR-CYBMUJFWSA-N	-1	1	383.412	2.239	20	50		GEGDMM
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823942497	608094105	/nfs/dbraw/zinc/09/41/05/608094105.db2.gz	DIGWWOVROIXGFT-UHFFFAOYSA-N	-1	1	383.437	2.024	20	50		GEGDMM
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1CCCN1Cc1ccccc1	ZINC000826445281	608575073	/nfs/dbraw/zinc/57/50/73/608575073.db2.gz	NIDGRSHGOYZEEQ-AWEZNQCLSA-N	-1	1	398.858	2.023	20	50		GEGDMM
CCNC(=O)N(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000825470963	609165855	/nfs/dbraw/zinc/16/58/55/609165855.db2.gz	KQNPZVXGPNPRNN-UHFFFAOYSA-N	-1	1	399.386	2.104	20	50		GEGDMM
CCNC(=O)N(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000825470963	609165857	/nfs/dbraw/zinc/16/58/57/609165857.db2.gz	KQNPZVXGPNPRNN-UHFFFAOYSA-N	-1	1	399.386	2.104	20	50		GEGDMM
CC[C@H](C)Oc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccn1	ZINC000825075208	609258849	/nfs/dbraw/zinc/25/88/49/609258849.db2.gz	NESHDDWAXWFBTO-JTQLQIEISA-N	-1	1	386.416	2.307	20	50		GEGDMM
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C	ZINC000829579895	601089937	/nfs/dbraw/zinc/08/99/37/601089937.db2.gz	NROSPGJEIPDYHJ-JPVKTXQWSA-N	-1	1	386.496	2.429	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2cc(Cl)ccc2[O-])cc(-c2nn[nH]n2)n1C	ZINC000826236000	607995815	/nfs/dbraw/zinc/99/58/15/607995815.db2.gz	WJRANIHPIRMANC-VZUCSPMQSA-N	-1	1	383.799	2.418	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)o1	ZINC000824358896	608106409	/nfs/dbraw/zinc/10/64/09/608106409.db2.gz	RMQOZEFOBRMWBT-UHFFFAOYSA-N	-1	1	397.355	2.125	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ncccc2C(F)(F)F)o1	ZINC000824358836	608158025	/nfs/dbraw/zinc/15/80/25/608158025.db2.gz	QEZZMEIVRRUVDN-UHFFFAOYSA-N	-1	1	382.306	2.149	20	50		GEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)c([O-])c1	ZINC000826447164	608200428	/nfs/dbraw/zinc/20/04/28/608200428.db2.gz	QSGOQXUIWSEOSH-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
O=C([O-])N[C@H](CC(=O)NNC(=O)c1cc2ccccc2o1)Cc1ccccc1	ZINC000832106187	603495471	/nfs/dbraw/zinc/49/54/71/603495471.db2.gz	VWDUBVCUZYDGAI-HNNXBMFYSA-N	-1	1	381.388	2.463	20	50		GEGDMM
O=C([O-])NC[C@@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832556393	603750395	/nfs/dbraw/zinc/75/03/95/603750395.db2.gz	LHKDQOLBAVDQHV-QMMMGPOBSA-N	-1	1	375.212	2.080	20	50		GEGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])[nH]c1C	ZINC000833860737	605440567	/nfs/dbraw/zinc/44/05/67/605440567.db2.gz	FILJGLTZPRZRNL-TZMCWYRMSA-N	-1	1	393.444	2.011	20	50		GEGDMM
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823954018	608094300	/nfs/dbraw/zinc/09/43/00/608094300.db2.gz	WKWDZESCNOUYDY-UHFFFAOYSA-N	-1	1	378.421	2.268	20	50		GEGDMM
COc1cccc2[nH]cc(CC(=O)NNc3oc(C(C)C)nc3-c3nn[n-]n3)c21	ZINC000826217691	609450591	/nfs/dbraw/zinc/45/05/91/609450591.db2.gz	YCNYAXIXVQSTDH-UHFFFAOYSA-N	-1	1	396.411	2.154	20	50		GEGDMM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NN=c2nc(-c3ccccn3)[nH]c3c2CCC3)C1	ZINC000833184384	601211607	/nfs/dbraw/zinc/21/16/07/601211607.db2.gz	QIMVZHKBJMANRS-CHWSQXEVSA-N	-1	1	381.436	2.361	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCN(C)c3ccccc32)o1	ZINC000824352500	607566516	/nfs/dbraw/zinc/56/65/16/607566516.db2.gz	FYXYUVGBHSAJDJ-GFCCVEGCSA-N	-1	1	382.428	2.045	20	50		GEGDMM
CC(C)[C@H](CCN(C)C(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-]	ZINC000824083986	604079813	/nfs/dbraw/zinc/07/98/13/604079813.db2.gz	HNFCIKRCJKKTLX-ZDUSSCGKSA-N	-1	1	376.413	2.401	20	50		GEGDMM
O=C([O-])NCC(=O)NNC(=O)c1oc2ccccc2c1COc1ccccc1	ZINC000834203199	605449642	/nfs/dbraw/zinc/44/96/42/605449642.db2.gz	NFWCITHWIQYXEC-UHFFFAOYSA-N	-1	1	383.360	2.040	20	50		GEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cc(F)ccc1[O-]	ZINC000823281804	606197942	/nfs/dbraw/zinc/19/79/42/606197942.db2.gz	YAOHXCFDYVYWAW-UHFFFAOYSA-N	-1	1	382.277	2.487	20	50		GEGDMM
COc1cccc(NNC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)n1	ZINC000826216863	609262684	/nfs/dbraw/zinc/26/26/84/609262684.db2.gz	QJEPHHAHJIYHOK-UHFFFAOYSA-N	-1	1	398.452	2.022	20	50		GEGDMM
COc1cccc(NNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)n1	ZINC000826216863	609262685	/nfs/dbraw/zinc/26/26/85/609262685.db2.gz	QJEPHHAHJIYHOK-UHFFFAOYSA-N	-1	1	398.452	2.022	20	50		GEGDMM
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000826249439	607453760	/nfs/dbraw/zinc/45/37/60/607453760.db2.gz	CPCRSWKCIRMTQA-UHFFFAOYSA-N	-1	1	388.387	2.109	20	50		GEGDMM
CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000826719702	603921380	/nfs/dbraw/zinc/92/13/80/603921380.db2.gz	AGNOZHLJQREBQP-LJQANCHMSA-N	-1	1	384.440	2.297	20	50		GEGDMM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	ZINC000827858330	604073952	/nfs/dbraw/zinc/07/39/52/604073952.db2.gz	ONGLUZXOWJCUNW-MRVPVSSYSA-N	-1	1	375.212	2.032	20	50		GEGDMM
CN(C(=O)[O-])[C@H]1CCN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	ZINC000827858335	604074461	/nfs/dbraw/zinc/07/44/61/604074461.db2.gz	ONGLUZXOWJCUNW-QMMMGPOBSA-N	-1	1	375.212	2.032	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCc2ccc(F)cc2F)o1	ZINC000824358383	607710965	/nfs/dbraw/zinc/71/09/65/607710965.db2.gz	IOUTYEKCGTYLQC-UHFFFAOYSA-N	-1	1	377.355	2.332	20	50		GEGDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NNC(=O)c3cc4ccccc4o3)C[C@@H]21	ZINC000834182369	605399723	/nfs/dbraw/zinc/39/97/23/605399723.db2.gz	SBGJVGLBRJMRAU-MELADBBJSA-N	-1	1	386.408	2.155	20	50		GEGDMM
CCc1c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cnn1CC(C)C	ZINC000825688389	607889298	/nfs/dbraw/zinc/88/92/98/607889298.db2.gz	XUKYQCKWHSZNKO-UHFFFAOYSA-N	-1	1	387.448	2.150	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc([C@H]3CCCO3)s2)o1	ZINC000824358342	608027768	/nfs/dbraw/zinc/02/77/68/608027768.db2.gz	HKYMWEJBYBQRKS-MRVPVSSYSA-N	-1	1	390.429	2.043	20	50		GEGDMM
CC(=NNC(=O)C(F)(F)Oc1ccccc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948008	608094161	/nfs/dbraw/zinc/09/41/61/608094161.db2.gz	BQOJPIGXTZVSTE-UHFFFAOYSA-N	-1	1	378.364	2.440	20	50		GEGDMM
CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948579	608094555	/nfs/dbraw/zinc/09/45/55/608094555.db2.gz	SSHNOMAHUUPNOI-UHFFFAOYSA-N	-1	1	380.231	2.173	20	50		GEGDMM
Cc1onc(CC(=O)NN=c2[nH]c3cc(Cl)ccc3cc2C)c1-c1nnn[n-]1	ZINC000826272993	609472665	/nfs/dbraw/zinc/47/26/65/609472665.db2.gz	KRYSDQXVMXVPQH-UHFFFAOYSA-N	-1	1	398.814	2.359	20	50		GEGDMM
Cc1onc(CC(=O)NN=c2[nH]c3cc(Cl)ccc3cc2C)c1-c1nn[n-]n1	ZINC000826272993	609472668	/nfs/dbraw/zinc/47/26/68/609472668.db2.gz	KRYSDQXVMXVPQH-UHFFFAOYSA-N	-1	1	398.814	2.359	20	50		GEGDMM
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C	ZINC000829579891	601090114	/nfs/dbraw/zinc/09/01/14/601090114.db2.gz	NROSPGJEIPDYHJ-CCNLRRDASA-N	-1	1	386.496	2.429	20	50		GEGDMM
O=C([O-])[C@H]1CCC[C@H](C(=O)NN=c2nc(-c3ccccn3)[nH]c3c2CCC3)C1	ZINC000833184393	601211564	/nfs/dbraw/zinc/21/15/64/601211564.db2.gz	QIMVZHKBJMANRS-STQMWFEESA-N	-1	1	381.436	2.361	20	50		GEGDMM
Cc1cc(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)cc(C)c1OCC(=O)[O-]	ZINC000832864421	602049157	/nfs/dbraw/zinc/04/91/57/602049157.db2.gz	DDXYPAVFSRJOHI-UHFFFAOYSA-N	-1	1	382.376	2.173	20	50		GEGDMM
Cc1ncsc1C(=O)NNC(=O)NCCN(C(=O)[O-])C1CCCCCC1	ZINC000830834148	604279014	/nfs/dbraw/zinc/27/90/14/604279014.db2.gz	FEMWVLZYSDEHOT-UHFFFAOYSA-N	-1	1	383.474	2.098	20	50		GEGDMM
Cc1ncsc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000833009845	604530840	/nfs/dbraw/zinc/53/08/40/604530840.db2.gz	DERZISOUIFZFLA-ZDUSSCGKSA-N	-1	1	376.438	2.248	20	50		GEGDMM
O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=O)c1ccc(Br)s1	ZINC000833998449	605390422	/nfs/dbraw/zinc/39/04/22/605390422.db2.gz	PDKYRSLJUFOPRW-QMMMGPOBSA-N	-1	1	390.259	2.194	20	50		GEGDMM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000825830785	605522742	/nfs/dbraw/zinc/52/27/42/605522742.db2.gz	IJHDZZQMVZAFPI-DTWKUNHWSA-N	-1	1	389.239	2.468	20	50		GEGDMM
Cc1nc(Cl)ccc1CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000826326734	608120786	/nfs/dbraw/zinc/12/07/86/608120786.db2.gz	BOWKFLHUXDKGFM-UHFFFAOYSA-N	-1	1	376.808	2.021	20	50		GEGDMM
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1[O-]	ZINC000826178693	608214762	/nfs/dbraw/zinc/21/47/62/608214762.db2.gz	IKCUMYYQIZAPJC-MKMNVTDBSA-N	-1	1	377.360	2.379	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnn(C)c2-c2ccccc2)o1	ZINC000824358480	608550396	/nfs/dbraw/zinc/55/03/96/608550396.db2.gz	LEVHVZSADBKYFP-UHFFFAOYSA-N	-1	1	393.411	2.136	20	50		GEGDMM
O=C(NNc1ccc(F)cc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826447505	609367010	/nfs/dbraw/zinc/36/70/10/609367010.db2.gz	IXBDTWRIIGOHGH-UHFFFAOYSA-N	-1	1	397.349	2.479	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1cc(Cl)ccn1	ZINC000826341005	609399222	/nfs/dbraw/zinc/39/92/22/609399222.db2.gz	RYUMPAVMBPQQBF-UHFFFAOYSA-N	-1	1	384.787	2.364	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1cc(Cl)ccn1	ZINC000826341005	609399224	/nfs/dbraw/zinc/39/92/24/609399224.db2.gz	RYUMPAVMBPQQBF-UHFFFAOYSA-N	-1	1	384.787	2.364	20	50		GEGDMM
Cc1ncsc1C(=O)NNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000833010854	601416167	/nfs/dbraw/zinc/41/61/67/601416167.db2.gz	XSLXDUKJCNWYCY-NSHDSACASA-N	-1	1	382.829	2.265	20	50		GEGDMM
O=C([O-])c1cccc(CNC(=O)NNC(=O)c2ccc(Br)s2)c1	ZINC000833146063	601887369	/nfs/dbraw/zinc/88/73/69/601887369.db2.gz	NSJQQIKTEKPSQS-UHFFFAOYSA-N	-1	1	398.238	2.353	20	50		GEGDMM
CN(C[C@@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000828207092	603749270	/nfs/dbraw/zinc/74/92/70/603749270.db2.gz	WFPXGWAASSJJKF-VIFPVBQESA-N	-1	1	389.239	2.422	20	50		GEGDMM
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNC(=O)c1ccc(Cl)cc1O)C2	ZINC000831308197	603853335	/nfs/dbraw/zinc/85/33/35/603853335.db2.gz	NQPURQWIYXIXTR-CLYYMRHHSA-N	-1	1	381.816	2.118	20	50		GEGDMM
O=C([O-])NCC(=O)NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	ZINC000834203081	605449470	/nfs/dbraw/zinc/44/94/70/605449470.db2.gz	KVRNKCBUMOJZON-UHFFFAOYSA-N	-1	1	389.220	2.146	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2=Cc3cc(F)ccc3OC2)o1	ZINC000824352374	608060038	/nfs/dbraw/zinc/06/00/38/608060038.db2.gz	BIOUJKBJWSGZSV-UHFFFAOYSA-N	-1	1	385.359	2.036	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)o1	ZINC000824359527	609413368	/nfs/dbraw/zinc/41/33/68/609413368.db2.gz	WOLRWFBRYDTZSY-NEPJUHHUSA-N	-1	1	377.449	2.263	20	50		GEGDMM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)c1scnc1C	ZINC000829188231	602863866	/nfs/dbraw/zinc/86/38/66/602863866.db2.gz	RVGVOCBHMNJOOZ-UHFFFAOYSA-N	-1	1	384.801	2.278	20	50		GEGDMM
O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832475954	603750129	/nfs/dbraw/zinc/75/01/29/603750129.db2.gz	RQDKWORQVOEHBO-KCJUWKMLSA-N	-1	1	389.239	2.374	20	50		GEGDMM
CC(C)[C@@H](CCN(C)C(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-]	ZINC000824083985	604079931	/nfs/dbraw/zinc/07/99/31/604079931.db2.gz	HNFCIKRCJKKTLX-CYBMUJFWSA-N	-1	1	376.413	2.401	20	50		GEGDMM
COc1ccc(C[C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1	ZINC000826190579	607980367	/nfs/dbraw/zinc/98/03/67/607980367.db2.gz	GCBORHXVFGKUTB-NSHDSACASA-N	-1	1	385.428	2.309	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cn(C)nc2-c2cccs2)o1	ZINC000824359585	608533755	/nfs/dbraw/zinc/53/37/55/608533755.db2.gz	XEKBJUMFRULHMO-UHFFFAOYSA-N	-1	1	399.440	2.197	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2ccc([O-])c(Cl)c2)cc(-c2nn[nH]n2)n1C	ZINC000826235391	609254280	/nfs/dbraw/zinc/25/42/80/609254280.db2.gz	IZFNWUDMWCFBDP-VZUCSPMQSA-N	-1	1	383.799	2.418	20	50		GEGDMM
O=C(NNc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826449169	609359948	/nfs/dbraw/zinc/35/99/48/609359948.db2.gz	FIVBVSIBNPMNMZ-UHFFFAOYSA-N	-1	1	379.359	2.340	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc(OC3CCCC3)nc2)o1	ZINC000824359616	609412823	/nfs/dbraw/zinc/41/28/23/609412823.db2.gz	YKTVHDAWELNHRJ-UHFFFAOYSA-N	-1	1	398.427	2.451	20	50		GEGDMM
Cc1ncsc1C(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000833009844	604530857	/nfs/dbraw/zinc/53/08/57/604530857.db2.gz	DERZISOUIFZFLA-CYBMUJFWSA-N	-1	1	376.438	2.248	20	50		GEGDMM
C[C@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000826052004	601652217	/nfs/dbraw/zinc/65/22/17/601652217.db2.gz	GAJPXLCZIPKQHX-YVEFUNNKSA-N	-1	1	389.839	2.153	20	50		GEGDMM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccc(Br)s1	ZINC000832846274	604267231	/nfs/dbraw/zinc/26/72/31/604267231.db2.gz	VMZOOVYVSWHKHB-UHFFFAOYSA-N	-1	1	386.227	2.229	20	50		GEGDMM
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1F	ZINC000833149716	604806941	/nfs/dbraw/zinc/80/69/41/604806941.db2.gz	ZVPMUHFUZBSSJS-UHFFFAOYSA-N	-1	1	387.186	2.423	20	50		GEGDMM
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C	ZINC000833652012	605163759	/nfs/dbraw/zinc/16/37/59/605163759.db2.gz	AVSQRJMMGYSNAZ-PUMYGXPMSA-N	-1	1	386.496	2.429	20	50		GEGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])[nH]c1C	ZINC000833860735	605440961	/nfs/dbraw/zinc/44/09/61/605440961.db2.gz	FILJGLTZPRZRNL-JSGCOSHPSA-N	-1	1	393.444	2.011	20	50		GEGDMM
O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000834045283	605744606	/nfs/dbraw/zinc/74/46/06/605744606.db2.gz	NQACIYNURCUSNW-FZMZJTMJSA-N	-1	1	381.816	2.310	20	50		GEGDMM
CCC1CCC(NCC(=O)NNC(=O)c2cccc(Cl)c2)(C(=O)[O-])CC1	ZINC000829101360	601495155	/nfs/dbraw/zinc/49/51/55/601495155.db2.gz	OMTVWMZMYJAVIH-UHFFFAOYSA-N	-1	1	381.860	2.114	20	50		GEGDMM
O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	ZINC000832516460	603864600	/nfs/dbraw/zinc/86/46/00/603864600.db2.gz	WBLLUQJKYJAQQV-UKRRQHHQSA-N	-1	1	385.424	2.005	20	50		GEGDMM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2cccc(Cl)c2)n1	ZINC000834229843	605973690	/nfs/dbraw/zinc/97/36/90/605973690.db2.gz	JHMOQONEZXQYQC-UHFFFAOYSA-N	-1	1	382.829	2.272	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2csc([C@@H]3CCCO3)n2)o1	ZINC000824358362	607889130	/nfs/dbraw/zinc/88/91/30/607889130.db2.gz	IBXAUSJJUDBRQK-VIFPVBQESA-N	-1	1	390.429	2.043	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(F)cc3cccnc32)o1	ZINC000824358219	608447387	/nfs/dbraw/zinc/44/73/87/608447387.db2.gz	CHEJHRFHOMUWFW-UHFFFAOYSA-N	-1	1	382.359	2.422	20	50		GEGDMM
O=C([O-])NCC1(C(=O)NNC(=O)c2ccc(Br)s2)CCCC1	ZINC000832443267	603616369	/nfs/dbraw/zinc/61/63/69/603616369.db2.gz	XIQAZCFVQKHCPD-UHFFFAOYSA-N	-1	1	390.259	2.100	20	50		GEGDMM
CC(C)N(CCC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2)C(=O)[O-]	ZINC000824341317	603920596	/nfs/dbraw/zinc/92/05/96/603920596.db2.gz	JBSPZNSGVQWVEB-UHFFFAOYSA-N	-1	1	384.440	2.249	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cn(C)nc2-c2ccccc2)o1	ZINC000824359597	608273342	/nfs/dbraw/zinc/27/33/42/608273342.db2.gz	XREGWNAFOLYHPA-UHFFFAOYSA-N	-1	1	393.411	2.136	20	50		GEGDMM
C[C@@H]1CN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)[O-]	ZINC000826007151	603748729	/nfs/dbraw/zinc/74/87/29/603748729.db2.gz	CJGQBUJRGLFSEX-MRVPVSSYSA-N	-1	1	375.212	2.032	20	50		GEGDMM
O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	ZINC000832516457	603864558	/nfs/dbraw/zinc/86/45/58/603864558.db2.gz	WBLLUQJKYJAQQV-DZGCQCFKSA-N	-1	1	385.424	2.005	20	50		GEGDMM
C[C@H](C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823701344	604005433	/nfs/dbraw/zinc/00/54/33/604005433.db2.gz	CVTWPWGGQYQHBJ-NHYWBVRUSA-N	-1	1	381.392	2.424	20	50		GEGDMM
O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccc(Br)s2)c1	ZINC000833765836	604667475	/nfs/dbraw/zinc/66/74/75/604667475.db2.gz	QBVQGXIHJXIEEW-UHFFFAOYSA-N	-1	1	383.223	2.213	20	50		GEGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])[nH]c1C	ZINC000833860734	605440625	/nfs/dbraw/zinc/44/06/25/605440625.db2.gz	FILJGLTZPRZRNL-GXTWGEPZSA-N	-1	1	393.444	2.011	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NN=c1[nH]c2ccccc2[nH]1	ZINC000826340690	608548224	/nfs/dbraw/zinc/54/82/24/608548224.db2.gz	HHNXULFEYOUTCI-UHFFFAOYSA-N	-1	1	389.379	2.192	20	50		GEGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NN=c1[nH]c2ccccc2[nH]1	ZINC000826340690	608548225	/nfs/dbraw/zinc/54/82/25/608548225.db2.gz	HHNXULFEYOUTCI-UHFFFAOYSA-N	-1	1	389.379	2.192	20	50		GEGDMM
Cc1c(C=C(C#N)C(=O)Nc2ccc([O-])c(Cl)c2)cc(-c2nn[nH]n2)n1C	ZINC000826235392	609254540	/nfs/dbraw/zinc/25/45/40/609254540.db2.gz	IZFNWUDMWCFBDP-WZUFQYTHSA-N	-1	1	383.799	2.418	20	50		GEGDMM
O=C([O-])N[C@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccc1	ZINC000832136881	603891164	/nfs/dbraw/zinc/89/11/64/603891164.db2.gz	WCQITWWMTCOAJQ-QGZVFWFLSA-N	-1	1	393.403	2.188	20	50		GEGDMM
CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000826719701	603921358	/nfs/dbraw/zinc/92/13/58/603921358.db2.gz	AGNOZHLJQREBQP-IBGZPJMESA-N	-1	1	384.440	2.297	20	50		GEGDMM
O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ccnc2ccccc21	ZINC000834251527	605920683	/nfs/dbraw/zinc/92/06/83/605920683.db2.gz	PBHZIXVZTDLQMS-IBGZPJMESA-N	-1	1	389.415	2.460	20	50		GEGDMM
O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1F	ZINC000823277667	606186477	/nfs/dbraw/zinc/18/64/77/606186477.db2.gz	UNFZKAMCYVOUFB-UHFFFAOYSA-N	-1	1	394.288	2.099	20	50		GEGDMM
O=C(CSc1ccc(-c2nn[nH]n2)cc1Cl)N[N-]C(=O)c1cccs1	ZINC000826420760	607844110	/nfs/dbraw/zinc/84/41/10/607844110.db2.gz	AWNGNYMNIPEUGF-UHFFFAOYSA-N	-1	1	394.869	2.135	20	50		GEGDMM
Cc1cc(F)ccc1NNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000826268646	607393169	/nfs/dbraw/zinc/39/31/69/607393169.db2.gz	HLHCIRBRYUQXAF-UHFFFAOYSA-N	-1	1	385.403	2.108	20	50		GEGDMM
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Br)ccc1[O-]	ZINC000826448999	607464224	/nfs/dbraw/zinc/46/42/24/607464224.db2.gz	XDSDKIUGBXPMDM-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C	ZINC000829579893	601089696	/nfs/dbraw/zinc/08/96/96/601089696.db2.gz	NROSPGJEIPDYHJ-DQPIFXJKSA-N	-1	1	386.496	2.429	20	50		GEGDMM
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C	ZINC000829579897	601089922	/nfs/dbraw/zinc/08/99/22/601089922.db2.gz	NROSPGJEIPDYHJ-SJPXOZHESA-N	-1	1	386.496	2.429	20	50		GEGDMM
COc1ccc(CNC(=O)NNC(=O)c2cc3ccccc3o2)cc1C(=O)[O-]	ZINC000832330358	601332934	/nfs/dbraw/zinc/33/29/34/601332934.db2.gz	PAGYNUHDJUHGJV-UHFFFAOYSA-N	-1	1	383.360	2.284	20	50		GEGDMM
O=C([O-])N[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1	ZINC000832134973	603669753	/nfs/dbraw/zinc/66/97/53/603669753.db2.gz	GXDGNFIDMRNQRS-AWEZNQCLSA-N	-1	1	382.376	2.386	20	50		GEGDMM
O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000832475953	603750305	/nfs/dbraw/zinc/75/03/05/603750305.db2.gz	RQDKWORQVOEHBO-GZMMTYOYSA-N	-1	1	389.239	2.374	20	50		GEGDMM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000824211865	603920437	/nfs/dbraw/zinc/92/04/37/603920437.db2.gz	UQEMYHJIWAGEFN-OAHLLOKOSA-N	-1	1	384.440	2.153	20	50		GEGDMM
O=C([O-])NC1(CC(=O)NN=c2nc(-c3ccccn3)[nH]c3c2CCC3)CCC1	ZINC000832207362	603922142	/nfs/dbraw/zinc/92/21/42/603922142.db2.gz	YTTWBOYIKMICLG-UHFFFAOYSA-N	-1	1	382.424	2.051	20	50		GEGDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NNC(=O)c3cc4ccccc4o3)C[C@H]21	ZINC000834182373	605399675	/nfs/dbraw/zinc/39/96/75/605399675.db2.gz	SBGJVGLBRJMRAU-MGPQQGTHSA-N	-1	1	386.408	2.155	20	50		GEGDMM
O=C([O-])N[C@@H](CNC(=O)NN=c1[nH]cc(C(F)(F)F)cc1Cl)C1CC1	ZINC000834144551	605844729	/nfs/dbraw/zinc/84/47/29/605844729.db2.gz	QJJIVISMQAUGFR-VIFPVBQESA-N	-1	1	381.742	2.426	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2ccnc(F)c2)c1-c1nnn[n-]1	ZINC000826231182	609299613	/nfs/dbraw/zinc/29/96/13/609299613.db2.gz	ALFSSHXOHOLCEB-UHFFFAOYSA-N	-1	1	386.416	2.152	20	50		GEGDMM
CSc1nc(C2CC2)cc(C(=O)NNc2ccnc(F)c2)c1-c1nn[n-]n1	ZINC000826231182	609299615	/nfs/dbraw/zinc/29/96/15/609299615.db2.gz	ALFSSHXOHOLCEB-UHFFFAOYSA-N	-1	1	386.416	2.152	20	50		GEGDMM
O=C(NNc1ccccc1F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826449075	609362534	/nfs/dbraw/zinc/36/25/34/609362534.db2.gz	AGDFKPWJEJEYNL-UHFFFAOYSA-N	-1	1	397.349	2.479	20	50		GEGDMM
C[C@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000826051999	601652205	/nfs/dbraw/zinc/65/22/05/601652205.db2.gz	GAJPXLCZIPKQHX-SJCJKPOMSA-N	-1	1	389.839	2.153	20	50		GEGDMM
CCCc1c(C(=O)NN=c2ncc(C(=O)OCC)c(C)[nH]2)[nH]c(C)c1C(=O)[O-]	ZINC000833652496	605408112	/nfs/dbraw/zinc/40/81/12/605408112.db2.gz	CPTCNQBDHKNZQV-UHFFFAOYSA-N	-1	1	389.412	2.006	20	50		GEGDMM
O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cc(C(F)(F)F)ccc1F	ZINC000823277728	606718729	/nfs/dbraw/zinc/71/87/29/606718729.db2.gz	VMLGBOBUKJXTEP-UHFFFAOYSA-N	-1	1	394.288	2.099	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)o1	ZINC000824358548	608273364	/nfs/dbraw/zinc/27/33/64/608273364.db2.gz	NHUBJVOSHIJEQB-LLVKDONJSA-N	-1	1	391.819	2.198	20	50		GEGDMM
O=C([O-])N1CCC[C@H]1CC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000831339984	603922086	/nfs/dbraw/zinc/92/20/86/603922086.db2.gz	OKPCBVLCSYYGMW-LBPRGKRZSA-N	-1	1	382.424	2.003	20	50		GEGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])[nH]c1C	ZINC000833860736	605440849	/nfs/dbraw/zinc/44/08/49/605440849.db2.gz	FILJGLTZPRZRNL-OCCSQVGLSA-N	-1	1	393.444	2.011	20	50		GEGDMM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000825830788	605522561	/nfs/dbraw/zinc/52/25/61/605522561.db2.gz	IJHDZZQMVZAFPI-RKDXNWHRSA-N	-1	1	389.239	2.468	20	50		GEGDMM
O=C([O-])N[C@H](CNC(=O)NN=c1[nH]cc(C(F)(F)F)cc1Cl)C1CC1	ZINC000834144547	605844818	/nfs/dbraw/zinc/84/48/18/605844818.db2.gz	QJJIVISMQAUGFR-SECBINFHSA-N	-1	1	381.742	2.426	20	50		GEGDMM
Cc1onc(CC(=O)NNc2c(Cl)cc(F)cc2Cl)c1-c1nnn[n-]1	ZINC000826348403	609469643	/nfs/dbraw/zinc/46/96/43/609469643.db2.gz	KQYUGBFHHZVULP-UHFFFAOYSA-N	-1	1	386.174	2.295	20	50		GEGDMM
Cc1onc(CC(=O)NNc2c(Cl)cc(F)cc2Cl)c1-c1nn[n-]n1	ZINC000826348403	609469645	/nfs/dbraw/zinc/46/96/45/609469645.db2.gz	KQYUGBFHHZVULP-UHFFFAOYSA-N	-1	1	386.174	2.295	20	50		GEGDMM
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)cc1[O-]	ZINC000826448703	607464089	/nfs/dbraw/zinc/46/40/89/607464089.db2.gz	HRFGDCWTLMBJGF-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C	ZINC000833652010	605163541	/nfs/dbraw/zinc/16/35/41/605163541.db2.gz	AVSQRJMMGYSNAZ-BKAYVGFPSA-N	-1	1	386.496	2.429	20	50		GEGDMM
CCOC(=O)c1cnc(=NNC(=O)c2ccc(NC(=O)[O-])cc2Cl)[nH]c1C	ZINC000833861183	605441086	/nfs/dbraw/zinc/44/10/86/605441086.db2.gz	MFXYLQPDIQHUNR-UHFFFAOYSA-N	-1	1	393.787	2.462	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc([C@@H]3CCCO3)s2)o1	ZINC000824358343	608027692	/nfs/dbraw/zinc/02/76/92/608027692.db2.gz	HKYMWEJBYBQRKS-QMMMGPOBSA-N	-1	1	390.429	2.043	20	50		GEGDMM
CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)s1	ZINC000823948504	608091850	/nfs/dbraw/zinc/09/18/50/608091850.db2.gz	PQZRAYRCFQBLTR-UHFFFAOYSA-N	-1	1	381.465	2.221	20	50		GEGDMM
CCN(CC)Cc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)o1	ZINC000825416789	608574202	/nfs/dbraw/zinc/57/42/02/608574202.db2.gz	MCKVLNWAORQMMG-UHFFFAOYSA-N	-1	1	390.835	2.107	20	50		GEGDMM
Cc1onc(CC(=O)NNc2cc(C(F)(F)F)ccc2F)c1-c1nnn[n-]1	ZINC000826348571	609467761	/nfs/dbraw/zinc/46/77/61/609467761.db2.gz	SWNNFCMEKUFHAF-UHFFFAOYSA-N	-1	1	385.281	2.007	20	50		GEGDMM
Cc1onc(CC(=O)NNc2cc(C(F)(F)F)ccc2F)c1-c1nn[n-]n1	ZINC000826348571	609467764	/nfs/dbraw/zinc/46/77/64/609467764.db2.gz	SWNNFCMEKUFHAF-UHFFFAOYSA-N	-1	1	385.281	2.007	20	50		GEGDMM
C[C@H]1CN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CCN1C(=O)[O-]	ZINC000826007152	603749019	/nfs/dbraw/zinc/74/90/19/603749019.db2.gz	CJGQBUJRGLFSEX-QMMMGPOBSA-N	-1	1	375.212	2.032	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc(-c3cccnc3)s2)o1	ZINC000824359641	608060104	/nfs/dbraw/zinc/06/01/04/608060104.db2.gz	ZGBMAOHEQFKLFT-UHFFFAOYSA-N	-1	1	397.424	2.254	20	50		GEGDMM
COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1[O-]	ZINC000826178694	608215005	/nfs/dbraw/zinc/21/50/05/608215005.db2.gz	IKCUMYYQIZAPJC-NSIKDUERSA-N	-1	1	377.360	2.379	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)o1	ZINC000824359533	609413419	/nfs/dbraw/zinc/41/34/19/609413419.db2.gz	WOLRWFBRYDTZSY-VXGBXAGGSA-N	-1	1	377.449	2.263	20	50		GEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Br)ccc1[O-]	ZINC000826447249	607463824	/nfs/dbraw/zinc/46/38/24/607463824.db2.gz	WJZAGSBEGYPWBB-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2nc(-c3ccccn3)[nH]c3c2CCC3)C1	ZINC000833184387	601211552	/nfs/dbraw/zinc/21/15/52/601211552.db2.gz	QIMVZHKBJMANRS-OLZOCXBDSA-N	-1	1	381.436	2.361	20	50		GEGDMM
O=C([O-])c1ccc(OCCNC(=O)NNC(=O)c2cc3ccccc3o2)cc1	ZINC000833142328	601334812	/nfs/dbraw/zinc/33/48/12/601334812.db2.gz	DSJUCDDTKGLRGL-UHFFFAOYSA-N	-1	1	383.360	2.154	20	50		GEGDMM
C[C@H](C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823701345	604005361	/nfs/dbraw/zinc/00/53/61/604005361.db2.gz	CVTWPWGGQYQHBJ-XHDPSFHLSA-N	-1	1	381.392	2.424	20	50		GEGDMM
C[C@@H](C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823701343	604005787	/nfs/dbraw/zinc/00/57/87/604005787.db2.gz	CVTWPWGGQYQHBJ-IAQYHMDHSA-N	-1	1	381.392	2.424	20	50		GEGDMM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2ccc(-c3ccco3)s2)CC1	ZINC000831742759	604862236	/nfs/dbraw/zinc/86/22/36/604862236.db2.gz	PVROCSJFNOCPTD-UHFFFAOYSA-N	-1	1	378.410	2.095	20	50		GEGDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NNC(=O)c3cc4ccccc4o3)C[C@H]21	ZINC000834182362	605398985	/nfs/dbraw/zinc/39/89/85/605398985.db2.gz	SBGJVGLBRJMRAU-BFHYXJOUSA-N	-1	1	386.408	2.155	20	50		GEGDMM
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(-c2nn[n-]n2)s1	ZINC000823948172	608091321	/nfs/dbraw/zinc/09/13/21/608091321.db2.gz	FKVMKZISZXNTJL-UHFFFAOYSA-N	-1	1	380.437	2.127	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc(C3(C#N)CC3)cc2)o1	ZINC000824359333	609258742	/nfs/dbraw/zinc/25/87/42/609258742.db2.gz	VUIDDGOJRNGIBM-UHFFFAOYSA-N	-1	1	378.396	2.290	20	50		GEGDMM
CC[C@@H](C)Oc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccn1	ZINC000825075210	609258783	/nfs/dbraw/zinc/25/87/83/609258783.db2.gz	NESHDDWAXWFBTO-SNVBAGLBSA-N	-1	1	386.416	2.307	20	50		GEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1[O-]	ZINC000826446935	607463688	/nfs/dbraw/zinc/46/36/88/607463688.db2.gz	GCTOSOBLZZWVTE-UHFFFAOYSA-N	-1	1	375.186	2.092	20	50		GEGDMM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NN=c2nc(-c3ccccn3)[nH]c3c2CCC3)C1	ZINC000833184390	601211706	/nfs/dbraw/zinc/21/17/06/601211706.db2.gz	QIMVZHKBJMANRS-QWHCGFSZSA-N	-1	1	381.436	2.361	20	50		GEGDMM
CCOc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)[O-]	ZINC000830039234	601324951	/nfs/dbraw/zinc/32/49/51/601324951.db2.gz	ZAFNSOQHNQAFCJ-UHFFFAOYSA-N	-1	1	398.371	2.370	20	50		GEGDMM
O=C([O-])COc1cccc(CNC(=O)NNC(=O)c2cc3ccccc3o2)c1	ZINC000833259005	601334706	/nfs/dbraw/zinc/33/47/06/601334706.db2.gz	DZKLFIGHRMLVBS-UHFFFAOYSA-N	-1	1	383.360	2.040	20	50		GEGDMM
O=C([O-])N[C@@H](CC(=O)NNC(=O)c1cc2ccccc2o1)Cc1ccccc1	ZINC000832106188	603495412	/nfs/dbraw/zinc/49/54/12/603495412.db2.gz	VWDUBVCUZYDGAI-OAHLLOKOSA-N	-1	1	381.388	2.463	20	50		GEGDMM
O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000834045281	605744595	/nfs/dbraw/zinc/74/45/95/605744595.db2.gz	NQACIYNURCUSNW-BXUZGUMPSA-N	-1	1	381.816	2.310	20	50		GEGDMM
O=C([O-])N1CCC2(CCN(C(=O)NNC(=O)c3cc4ccccc4o3)C2)CC1	ZINC000834044163	605893029	/nfs/dbraw/zinc/89/30/29/605893029.db2.gz	AJHPFXZSZBCTJB-UHFFFAOYSA-N	-1	1	386.408	2.253	20	50		GEGDMM
COc1ccc(C(F)(F)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1	ZINC000826188712	607889657	/nfs/dbraw/zinc/88/96/57/607889657.db2.gz	DNMXHQIKVMMYOL-UHFFFAOYSA-N	-1	1	393.354	2.222	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc([C@H]3CCOC3)c2)o1	ZINC000824358370	608060089	/nfs/dbraw/zinc/06/00/89/608060089.db2.gz	IKFAIJBOQZRLNR-ZDUSSCGKSA-N	-1	1	383.412	2.239	20	50		GEGDMM
CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948450	608091417	/nfs/dbraw/zinc/09/14/17/608091417.db2.gz	NGISMLNXUPHMBE-UHFFFAOYSA-N	-1	1	378.421	2.472	20	50		GEGDMM
CCCn1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C1CC1	ZINC000825361215	608237968	/nfs/dbraw/zinc/23/79/68/608237968.db2.gz	DAJKLXRURMKLIL-UHFFFAOYSA-N	-1	1	385.432	2.219	20	50		GEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCC(=O)c2cccc(F)c2)o1	ZINC000824358400	608447654	/nfs/dbraw/zinc/44/76/54/608447654.db2.gz	IYARVEKMYVIPMQ-UHFFFAOYSA-N	-1	1	387.375	2.223	20	50		GEGDMM