smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])CCC1	ZINC000593273846	439360532	/nfs/dbraw/zinc/36/05/32/439360532.db2.gz	QKTSMTZUVLJSDO-SNVBAGLBSA-N	-2	1	328.346	0.842	20	30		ECEDML
COCCN(CCC#N)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000610987901	439663189	/nfs/dbraw/zinc/66/31/89/439663189.db2.gz	MCSXRGDQUZMLEV-UHFFFAOYSA-N	-2	1	331.332	0.747	20	30		ECEDML
CC(C)(C)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n[nH]1	ZINC000819959009	587499532	/nfs/dbraw/zinc/49/95/32/587499532.db2.gz	ULJOLZFHVLQIIX-UHFFFAOYSA-N	-2	1	326.324	0.734	20	30		ECEDML
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000822693633	587675938	/nfs/dbraw/zinc/67/59/38/587675938.db2.gz	IGSMKMZRMNUUDW-SSDOTTSWSA-N	-2	1	327.329	0.867	20	30		ECEDML
N#CCOc1cccc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000826382172	588037108	/nfs/dbraw/zinc/03/71/08/588037108.db2.gz	RGVIUJQPHQMKIE-UHFFFAOYSA-N	-2	1	349.314	0.545	20	30		ECEDML
C=CCOCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851702255	589416902	/nfs/dbraw/zinc/41/69/02/589416902.db2.gz	LKBZZNAJRXCYMJ-WPRPVWTQSA-N	-2	1	338.282	0.312	20	30		ECEDML
N#CCOc1ccc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000737696304	598718699	/nfs/dbraw/zinc/71/86/99/598718699.db2.gz	QAQJRUUEMWHCAV-UHFFFAOYSA-N	-2	1	349.314	0.545	20	30		ECEDML
C=C(Br)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000155390777	609648175	/nfs/dbraw/zinc/64/81/75/609648175.db2.gz	JXPPVNGKMCAMAR-UHFFFAOYSA-N	-2	1	339.149	0.971	20	30		ECEDML
C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736276039	578419029	/nfs/dbraw/zinc/41/90/29/578419029.db2.gz	YARUIHJKKNMQGP-WCBMZHEXSA-N	-2	1	330.352	0.995	20	30		ECEDML
CC[C@H](C#N)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736848440	578456802	/nfs/dbraw/zinc/45/68/02/578456802.db2.gz	LARYGWVENAUICF-LLVKDONJSA-N	-2	1	328.328	0.825	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc3c2OCCO3)nc1-c1nn[n-]n1	ZINC000737704605	578518384	/nfs/dbraw/zinc/51/83/84/578518384.db2.gz	ICRJLXIYAVWTLM-UHFFFAOYSA-N	-2	1	338.287	0.485	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc(-n3cccn3)ccn2)nc1-c1nn[n-]n1	ZINC000737706137	578518535	/nfs/dbraw/zinc/51/85/35/578518535.db2.gz	WJNIFRWRRGKXKG-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
N#C[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C1CC1	ZINC000739075914	579665186	/nfs/dbraw/zinc/66/51/86/579665186.db2.gz	VYASUOWCGXCKHP-CQSZACIVSA-N	-2	1	340.339	0.825	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)nc1-c1nn[n-]n1	ZINC000822815408	587682001	/nfs/dbraw/zinc/68/20/01/587682001.db2.gz	RAQJZOKDLDFBBL-JTQLQIEISA-N	-2	1	340.278	0.543	20	30		ECEDML
CC(C)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc(=O)[nH]1	ZINC000824342328	587869225	/nfs/dbraw/zinc/86/92/25/587869225.db2.gz	PRLRWUTYGQZIEK-UHFFFAOYSA-N	-2	1	339.319	0.938	20	30		ECEDML
CC(C)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc(=O)[nH]1	ZINC000824342328	587869226	/nfs/dbraw/zinc/86/92/26/587869226.db2.gz	PRLRWUTYGQZIEK-UHFFFAOYSA-N	-2	1	339.319	0.938	20	30		ECEDML
Cc1c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cnn1C(C)C	ZINC000826234671	588013579	/nfs/dbraw/zinc/01/35/79/588013579.db2.gz	ITHRYXIUARDOIU-UHFFFAOYSA-N	-2	1	326.324	0.800	20	30		ECEDML
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000826381623	588036599	/nfs/dbraw/zinc/03/65/99/588036599.db2.gz	SHHWOHPTBIKKCG-UHFFFAOYSA-N	-2	1	326.363	0.292	20	30		ECEDML
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000826381623	588036601	/nfs/dbraw/zinc/03/66/01/588036601.db2.gz	SHHWOHPTBIKKCG-UHFFFAOYSA-N	-2	1	326.363	0.292	20	30		ECEDML
C[S@](=O)c1nncn1C=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000832735130	588502159	/nfs/dbraw/zinc/50/21/59/588502159.db2.gz	APFXJFQFOSACKJ-DEOSSOPVSA-N	-2	1	347.356	0.418	20	30		ECEDML
CC#CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275010168	201275948	/nfs/dbraw/zinc/27/59/48/201275948.db2.gz	NDARPBRFQKSNGB-VIFPVBQESA-N	-2	1	330.293	0.879	20	30		ECEDML
CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-])C1CC1	ZINC000594576133	439580349	/nfs/dbraw/zinc/58/03/49/439580349.db2.gz	YSQZVEJCPLGLOY-WDEREUQCSA-N	-2	1	328.346	0.698	20	30		ECEDML
Cc1nc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c2ccccn12	ZINC000737467963	578498410	/nfs/dbraw/zinc/49/84/10/578498410.db2.gz	LYFUVXCKIRSTOU-UHFFFAOYSA-N	-2	1	334.303	0.670	20	30		ECEDML
Cc1ncc(Cl)c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n1	ZINC000822471388	587661511	/nfs/dbraw/zinc/66/15/11/587661511.db2.gz	ABERWOVYHWGVOC-UHFFFAOYSA-N	-2	1	330.699	0.466	20	30		ECEDML
N#Cc1[n-]c(NC(=O)C(=O)c2ccc(Cl)cc2)nc1-c1nn[n-]n1	ZINC000737705170	578518402	/nfs/dbraw/zinc/51/84/02/578518402.db2.gz	LIAQLCGLGBHADC-UHFFFAOYSA-N	-2	1	342.706	0.936	20	30		ECEDML
C[C@H](Oc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1)C(=O)[O-]	ZINC000794908390	578601144	/nfs/dbraw/zinc/60/11/44/578601144.db2.gz	IIXORRGVRDRUKK-QMMMGPOBSA-N	-2	1	342.315	0.730	20	30		ECEDML
C#CCCS(=O)(=O)[N-]C(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000791111465	578886740	/nfs/dbraw/zinc/88/67/40/578886740.db2.gz	SHDHXTJYTYMKPH-UHFFFAOYSA-N	-2	1	343.430	0.614	20	30		ECEDML
CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000821245782	587579701	/nfs/dbraw/zinc/57/97/01/587579701.db2.gz	AHZOISIFUZQDHR-GXSJLCMTSA-N	-2	1	330.362	0.680	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@@H](F)Cc2ccccc2)nc1-c1nn[n-]n1	ZINC000826382503	588036834	/nfs/dbraw/zinc/03/68/34/588036834.db2.gz	HPWVQIXUKHHVPL-VIFPVBQESA-N	-2	1	326.295	0.981	20	30		ECEDML
O=C([O-])Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)nn1	ZINC000826461043	588053835	/nfs/dbraw/zinc/05/38/35/588053835.db2.gz	CSIGOVXAOOTIFI-OWOJBTEDSA-N	-2	1	331.317	0.500	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)o1	ZINC000558474079	302471204	/nfs/dbraw/zinc/47/12/04/302471204.db2.gz	JTKGKMCDVNIDBT-LLVKDONJSA-N	-2	1	328.346	0.699	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])o1	ZINC000554533475	322171040	/nfs/dbraw/zinc/17/10/40/322171040.db2.gz	XXDQKQVVMGNLMO-LBPRGKRZSA-N	-2	1	336.325	0.962	20	30		ECEDML
C[C@H](Oc1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1)C(=O)[O-]	ZINC000731155385	578310975	/nfs/dbraw/zinc/31/09/75/578310975.db2.gz	ZEXOOLYLNICGJW-QMMMGPOBSA-N	-2	1	342.315	0.730	20	30		ECEDML
Cc1cccn2cc(CC(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)nc12	ZINC000737436580	578496707	/nfs/dbraw/zinc/49/67/07/578496707.db2.gz	UVANIZCBUMEVDB-UHFFFAOYSA-N	-2	1	348.330	0.599	20	30		ECEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000822162057	587646419	/nfs/dbraw/zinc/64/64/19/587646419.db2.gz	WZBKHCLAARPJLH-UHFFFAOYSA-N	-2	1	344.360	0.581	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@H]2Cc3cc(F)ccc3O2)nc1-c1nn[n-]n1	ZINC000822815409	587682063	/nfs/dbraw/zinc/68/20/63/587682063.db2.gz	RAQJZOKDLDFBBL-SNVBAGLBSA-N	-2	1	340.278	0.543	20	30		ECEDML
Cc1c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cnn1CC(C)C	ZINC000826234531	588013894	/nfs/dbraw/zinc/01/38/94/588013894.db2.gz	AUFBYUATZLPHHW-UHFFFAOYSA-N	-2	1	340.351	0.875	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1	ZINC000189509856	165011795	/nfs/dbraw/zinc/01/17/95/165011795.db2.gz	DWZRGZOXTBJQQC-UHFFFAOYSA-N	-2	1	342.340	0.628	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(CC(=O)[O-])cc1	ZINC000731157833	578310983	/nfs/dbraw/zinc/31/09/83/578310983.db2.gz	RVLKXEHOHZAXAE-UHFFFAOYSA-N	-2	1	326.316	0.895	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cn2ncc3ccccc32)nc1-c1nn[n-]n1	ZINC000737704955	578518371	/nfs/dbraw/zinc/51/83/71/578518371.db2.gz	JHCGNPMQKGRTNQ-UHFFFAOYSA-N	-2	1	334.303	0.450	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc3nccnc3c2)nc1-c1nn[n-]n1	ZINC000826382791	588037025	/nfs/dbraw/zinc/03/70/25/588037025.db2.gz	VGDPAJULASXPLR-UHFFFAOYSA-N	-2	1	332.287	0.657	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c2ccccc2)o1	ZINC000806636311	608631316	/nfs/dbraw/zinc/63/13/16/608631316.db2.gz	YPLBBZGSYYKORV-CHWSQXEVSA-N	-2	1	336.325	0.616	20	30		ECEDML
C#CC(C)(C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736077213	578405492	/nfs/dbraw/zinc/40/54/92/578405492.db2.gz	PHXGEMSOQPLSMP-UHFFFAOYSA-N	-2	1	327.340	0.934	20	30		ECEDML
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000736615751	578442139	/nfs/dbraw/zinc/44/21/39/578442139.db2.gz	MYQDIPKMGXHGAS-LLVKDONJSA-N	-2	1	343.347	0.127	20	30		ECEDML
CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000821245785	587579641	/nfs/dbraw/zinc/57/96/41/587579641.db2.gz	AHZOISIFUZQDHR-ONGXEEELSA-N	-2	1	330.362	0.680	20	30		ECEDML
C#CCCN(CCOC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000856388704	589662618	/nfs/dbraw/zinc/66/26/18/589662618.db2.gz	XGTAIXRLZHOKFV-UHFFFAOYSA-N	-2	1	330.344	0.856	20	30		ECEDML
Cc1c([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C(=O)[O-])cnn1C	ZINC000593270479	439359942	/nfs/dbraw/zinc/35/99/42/439359942.db2.gz	FWRYRXUIQXYRJP-LLVKDONJSA-N	-2	1	340.386	0.766	20	30		ECEDML
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1nn[n-]n1	ZINC000359784809	438496850	/nfs/dbraw/zinc/49/68/50/438496850.db2.gz	JYQSXUOUILEXTC-UHFFFAOYSA-N	-2	1	329.364	0.773	20	30		ECEDML
C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736276036	578419116	/nfs/dbraw/zinc/41/91/16/578419116.db2.gz	YARUIHJKKNMQGP-PSASIEDQSA-N	-2	1	330.352	0.995	20	30		ECEDML
CC(=O)Nc1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)ccc1[O-]	ZINC000360618269	437630950	/nfs/dbraw/zinc/63/09/50/437630950.db2.gz	HUCDDTWIOOZKCM-UHFFFAOYSA-N	-2	1	335.345	0.757	20	30		ECEDML
COC1(C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])CCC1	ZINC000593273845	439361067	/nfs/dbraw/zinc/36/10/67/439361067.db2.gz	QKTSMTZUVLJSDO-JTQLQIEISA-N	-2	1	328.346	0.842	20	30		ECEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000574016545	439678751	/nfs/dbraw/zinc/67/87/51/439678751.db2.gz	HLMXBFPVTFICPO-MRVPVSSYSA-N	-2	1	332.338	0.509	20	30		ECEDML
C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000736264296	578418446	/nfs/dbraw/zinc/41/84/46/578418446.db2.gz	VQRUYIKQMJBGTR-IUCAKERBSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc(-n3cncn3)c2)nc1-c1nn[n-]n1	ZINC000737705591	578518470	/nfs/dbraw/zinc/51/84/70/578518470.db2.gz	PRMBAMRMOBTGFV-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
O=C([O-])c1ccc2c(C=NNc3nc4[nH][n-]cc-4c(=O)n3)[nH]nc2c1	ZINC000765576156	579069113	/nfs/dbraw/zinc/06/91/13/579069113.db2.gz	LLZRPMKBPQIDEP-UHFFFAOYSA-N	-2	1	338.287	0.453	20	30		ECEDML
N#CC1(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1	ZINC000739066233	579664292	/nfs/dbraw/zinc/66/42/92/579664292.db2.gz	JDWXRRYBPMMJNJ-UHFFFAOYSA-N	-2	1	326.312	0.579	20	30		ECEDML
C=CCOCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851702252	589416772	/nfs/dbraw/zinc/41/67/72/589416772.db2.gz	LKBZZNAJRXCYMJ-PSASIEDQSA-N	-2	1	338.282	0.312	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc(-n3cccn3)c2)nc1-c1nn[n-]n1	ZINC000737706016	578518464	/nfs/dbraw/zinc/51/84/64/578518464.db2.gz	SWUSGWCFWUMXDI-UHFFFAOYSA-N	-2	1	346.314	0.899	20	30		ECEDML
C#C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H]1CCCO1	ZINC000775343350	586916393	/nfs/dbraw/zinc/91/63/93/586916393.db2.gz	YEORDJBXFBTWHP-MWLCHTKSSA-N	-2	1	328.328	0.655	20	30		ECEDML
CC(CCc1ccc(OCCC(=O)[O-])cc1)N=NC1=NCC(=O)[N-]1	ZINC000863176732	589991642	/nfs/dbraw/zinc/99/16/42/589991642.db2.gz	BIOWDXHASNHVLA-UHFFFAOYSA-N	-2	1	332.360	0.924	20	30		ECEDML
Cc1[nH]nc2nc(C)cc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)c12	ZINC000737238286	578486797	/nfs/dbraw/zinc/48/67/97/578486797.db2.gz	JFYNHNWHXAGXOD-UHFFFAOYSA-N	-2	1	349.318	0.602	20	30		ECEDML
CC#CCS(=O)(=O)[N-]C(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000791105182	578886480	/nfs/dbraw/zinc/88/64/80/578886480.db2.gz	AWFCJAXYUBASCB-UHFFFAOYSA-N	-2	1	343.430	0.614	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2cccc(F)c2F)nc1-c1nn[n-]n1	ZINC000822814072	587681669	/nfs/dbraw/zinc/68/16/69/587681669.db2.gz	BEWNSAINVXSQDH-UHFFFAOYSA-N	-2	1	330.258	0.921	20	30		ECEDML
N#CCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1	ZINC000822814120	587682207	/nfs/dbraw/zinc/68/22/07/587682207.db2.gz	BHORJHWBTHHQRK-UHFFFAOYSA-N	-2	1	342.344	0.524	20	30		ECEDML
N#CCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000822814120	587682208	/nfs/dbraw/zinc/68/22/08/587682208.db2.gz	BHORJHWBTHHQRK-UHFFFAOYSA-N	-2	1	342.344	0.524	20	30		ECEDML
CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825180996	587921612	/nfs/dbraw/zinc/92/16/12/587921612.db2.gz	BMJSKHZEXXINLN-RKDXNWHRSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1	ZINC000189511713	165011431	/nfs/dbraw/zinc/01/14/31/165011431.db2.gz	YAONZLYSVHODOD-UHFFFAOYSA-N	-2	1	342.340	0.628	20	30		ECEDML
C[C@@H](C#N)CNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736200853	578414585	/nfs/dbraw/zinc/41/45/85/578414585.db2.gz	DVORRBOVKTVMIH-JTQLQIEISA-N	-2	1	328.328	0.682	20	30		ECEDML
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000737673150	578515081	/nfs/dbraw/zinc/51/50/81/578515081.db2.gz	OCZVAJFDKHUHKM-NSHDSACASA-N	-2	1	325.332	0.643	20	30		ECEDML
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000274980766	436904374	/nfs/dbraw/zinc/90/43/74/436904374.db2.gz	LOVVMJBGCHQKNM-SSDOTTSWSA-N	-2	1	348.283	0.290	20	30		ECEDML
CCNc1nc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cs1	ZINC000821309008	587584012	/nfs/dbraw/zinc/58/40/12/587584012.db2.gz	JAXVEZVPPAFJED-UHFFFAOYSA-N	-2	1	330.337	0.602	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2ccc(F)cc2F)nc1-c1nn[n-]n1	ZINC000822815362	587682047	/nfs/dbraw/zinc/68/20/47/587682047.db2.gz	PTQPRANFLZLLIA-UHFFFAOYSA-N	-2	1	330.258	0.921	20	30		ECEDML
COCc1ccsc1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826165457	588003760	/nfs/dbraw/zinc/00/37/60/588003760.db2.gz	VTUMPVONYMNBSW-UHFFFAOYSA-N	-2	1	330.333	0.922	20	30		ECEDML
Cc1nc(Cl)ccc1CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826326869	588025786	/nfs/dbraw/zinc/02/57/86/588025786.db2.gz	IFGOXPYQJNJZDQ-UHFFFAOYSA-N	-2	1	343.738	1.000	20	30		ECEDML
C=CCOCCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000833376161	588536959	/nfs/dbraw/zinc/53/69/59/588536959.db2.gz	VKLDXGSHNWCKMD-UHFFFAOYSA-N	-2	1	345.355	0.725	20	30		ECEDML
C#C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCOCC1	ZINC000856108276	589654628	/nfs/dbraw/zinc/65/46/28/589654628.db2.gz	GDQFAEMWAXKKMC-NSHDSACASA-N	-2	1	342.355	0.903	20	30		ECEDML
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287626501	264465202	/nfs/dbraw/zinc/46/52/02/264465202.db2.gz	SVOQXQQFQNAOEF-VIFPVBQESA-N	-2	1	330.318	0.226	20	30		ECEDML
N#Cc1cc(F)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000274980771	436904475	/nfs/dbraw/zinc/90/44/75/436904475.db2.gz	LOVVMJBGCHQKNM-ZETCQYMHSA-N	-2	1	348.283	0.290	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CSC[C@@H]2CCCCO2)nc1-c1nn[n-]n1	ZINC000737705268	578518318	/nfs/dbraw/zinc/51/83/18/578518318.db2.gz	NBRDQAOINZYQJZ-QMMMGPOBSA-N	-2	1	348.392	0.702	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776728348	579288547	/nfs/dbraw/zinc/28/85/47/579288547.db2.gz	CDDHNLACMCFHKP-UHFFFAOYSA-N	-2	1	341.331	0.978	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CSCC(F)(F)F)nc1-c1nn[n-]n1	ZINC000826382874	588037159	/nfs/dbraw/zinc/03/71/59/588037159.db2.gz	YQZLATMWZFBGRF-UHFFFAOYSA-N	-2	1	332.271	0.695	20	30		ECEDML
C[S@@](=O)c1nncn1C=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000832735131	588502139	/nfs/dbraw/zinc/50/21/39/588502139.db2.gz	APFXJFQFOSACKJ-XMMPIXPASA-N	-2	1	347.356	0.418	20	30		ECEDML
C=CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000297074826	437004960	/nfs/dbraw/zinc/00/49/60/437004960.db2.gz	XDQNVCFQGLLDLW-ZCFIWIBFSA-N	-2	1	327.284	0.747	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CNC(=O)CC2CCCC2)nc1-c1nn[n-]n1	ZINC000737705123	578518273	/nfs/dbraw/zinc/51/82/73/578518273.db2.gz	KOFCEJIUKMMOMA-UHFFFAOYSA-N	-2	1	343.351	0.096	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc([N+](=O)[O-])cn2)nc1-c1nn[n-]n1	ZINC000822815663	587682144	/nfs/dbraw/zinc/68/21/44/587682144.db2.gz	VXHXHTYJEUKGPY-UHFFFAOYSA-N	-2	1	326.236	0.017	20	30		ECEDML
C#CC[C@H](CCOC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000863787789	590038133	/nfs/dbraw/zinc/03/81/33/590038133.db2.gz	WNUVIBNRXBJPAN-SNVBAGLBSA-N	-2	1	330.344	0.903	20	30		ECEDML
CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287371863	437183394	/nfs/dbraw/zinc/18/33/94/437183394.db2.gz	ZCSPWMVTZINMPT-VIFPVBQESA-N	-2	1	344.345	0.615	20	30		ECEDML
Cc1nnc([S-])n(N=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c1=O	ZINC000765556811	579068880	/nfs/dbraw/zinc/06/88/80/579068880.db2.gz	OKYOGUXSHMLPGT-UHFFFAOYSA-N	-2	1	330.329	0.692	20	30		ECEDML
C#C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H]1CCCO1	ZINC000775343353	586916495	/nfs/dbraw/zinc/91/64/95/586916495.db2.gz	YEORDJBXFBTWHP-ONGXEEELSA-N	-2	1	328.328	0.655	20	30		ECEDML
CCNc1nc(C)c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)s1	ZINC000821309289	587583986	/nfs/dbraw/zinc/58/39/86/587583986.db2.gz	LWLKDCQZIVMVIH-UHFFFAOYSA-N	-2	1	344.364	0.911	20	30		ECEDML
Cc1cc(C)n(N=Cc2ccc(C(=O)[O-])[nH]2)c(=O)c1-c1nn[n-]n1	ZINC000822198985	587647762	/nfs/dbraw/zinc/64/77/62/587647762.db2.gz	RFYBMWSSKZTILP-UHFFFAOYSA-N	-2	1	327.304	0.554	20	30		ECEDML
CC(C)Oc1cccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n1	ZINC000824332875	587868424	/nfs/dbraw/zinc/86/84/24/587868424.db2.gz	AAFISCVEGBOUOD-UHFFFAOYSA-N	-2	1	339.319	0.896	20	30		ECEDML
CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-])C1CC1	ZINC000594576132	439579763	/nfs/dbraw/zinc/57/97/63/439579763.db2.gz	YSQZVEJCPLGLOY-QWRGUYRKSA-N	-2	1	328.346	0.698	20	30		ECEDML
C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000736264299	578418412	/nfs/dbraw/zinc/41/84/12/578418412.db2.gz	VQRUYIKQMJBGTR-RKDXNWHRSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc(-n3cnnc3)cc2)nc1-c1nn[n-]n1	ZINC000737706007	578518530	/nfs/dbraw/zinc/51/85/30/578518530.db2.gz	SRDOKYNXKQGMGN-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
C=CCNc1ncc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)s1	ZINC000819750962	587489250	/nfs/dbraw/zinc/48/92/50/587489250.db2.gz	KWEUZJJQDPSRSX-UHFFFAOYSA-N	-2	1	342.348	0.768	20	30		ECEDML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820814794	587558558	/nfs/dbraw/zinc/55/85/58/587558558.db2.gz	KVJZPRLXYBLROK-MRXNPFEDSA-N	-2	1	348.311	0.499	20	30		ECEDML
COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821656189	587615212	/nfs/dbraw/zinc/61/52/12/587615212.db2.gz	ZISSGNOZXIOHNG-YUMQZZPRSA-N	-2	1	344.335	0.379	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc(-c3ccccn3)no2)nc1-c1nn[n-]n1	ZINC000822814385	587682082	/nfs/dbraw/zinc/68/20/82/587682082.db2.gz	FIPYLHJRQRWEIH-UHFFFAOYSA-N	-2	1	348.286	0.764	20	30		ECEDML
COC(=O)C1CCC(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1	ZINC000826128651	587995600	/nfs/dbraw/zinc/99/56/00/587995600.db2.gz	FZIFNNIVMSMVLO-UHFFFAOYSA-N	-2	1	344.335	0.379	20	30		ECEDML
Cc1ccc(F)cc1C(=O)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826289546	588020368	/nfs/dbraw/zinc/02/03/68/588020368.db2.gz	FGYBOANQKBYWEU-UHFFFAOYSA-N	-2	1	340.278	0.730	20	30		ECEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)[O-]	ZINC000542860937	439560589	/nfs/dbraw/zinc/56/05/89/439560589.db2.gz	YFKFDBVPPTVXRH-SECBINFHSA-N	-2	1	329.330	0.601	20	30		ECEDML
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736276041	578419023	/nfs/dbraw/zinc/41/90/23/578419023.db2.gz	YARUIHJKKNMQGP-WPRPVWTQSA-N	-2	1	330.352	0.995	20	30		ECEDML
C[S@](=O)c1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000821941004	587637436	/nfs/dbraw/zinc/63/74/36/587637436.db2.gz	BDILOKBFOZSGFZ-DEOSSOPVSA-N	-2	1	342.344	0.451	20	30		ECEDML
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1nnc2ccccc2c1O	ZINC000831092351	588404530	/nfs/dbraw/zinc/40/45/30/588404530.db2.gz	UQPAGBIDDCVNSE-VIFPVBQESA-N	-2	1	327.300	0.663	20	30		ECEDML
C[C@H]1CC(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)=NO1	ZINC000833601413	588551714	/nfs/dbraw/zinc/55/17/14/588551714.db2.gz	UTBXIIRAPVFWGA-VIFPVBQESA-N	-2	1	344.327	0.645	20	30		ECEDML
C[S@@](=O)c1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000821941010	587637343	/nfs/dbraw/zinc/63/73/43/587637343.db2.gz	BDILOKBFOZSGFZ-XMMPIXPASA-N	-2	1	342.344	0.451	20	30		ECEDML
N#Cc1cccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c1	ZINC000822836970	587682913	/nfs/dbraw/zinc/68/29/13/587682913.db2.gz	CGXGBIAMEMZWSX-UHFFFAOYSA-N	-2	1	333.358	0.996	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cn1	ZINC000822833261	587682937	/nfs/dbraw/zinc/68/29/37/587682937.db2.gz	MXOUFEZPRLOHKG-UHFFFAOYSA-N	-2	1	334.346	0.391	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc(-n3ccnn3)cc2)nc1-c1nn[n-]n1	ZINC000826382884	588037090	/nfs/dbraw/zinc/03/70/90/588037090.db2.gz	ZAZRHKGGSFOYOQ-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
Cn1cc(C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cn1	ZINC000554531412	322171048	/nfs/dbraw/zinc/17/10/48/322171048.db2.gz	YQZKHKOHGKHJNH-SNVBAGLBSA-N	-2	1	338.345	0.107	20	30		ECEDML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000822623180	587670116	/nfs/dbraw/zinc/67/01/16/587670116.db2.gz	QELFZHYYNXFVAZ-UHFFFAOYSA-N	-2	1	330.333	0.273	20	30		ECEDML
CC(C)Cn1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cn1	ZINC000824281093	587865300	/nfs/dbraw/zinc/86/53/00/587865300.db2.gz	ZATDESHTKUMYDP-UHFFFAOYSA-N	-2	1	326.324	0.566	20	30		ECEDML
CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825180984	587921650	/nfs/dbraw/zinc/92/16/50/587921650.db2.gz	BMJSKHZEXXINLN-BDAKNGLRSA-N	-2	1	330.352	0.995	20	30		ECEDML
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826322086	588024647	/nfs/dbraw/zinc/02/46/47/588024647.db2.gz	YYNIHMYKVOLKLD-LURJTMIESA-N	-2	1	340.351	0.934	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)o1	ZINC000806636316	608631297	/nfs/dbraw/zinc/63/12/97/608631297.db2.gz	YPLBBZGSYYKORV-OLZOCXBDSA-N	-2	1	336.325	0.616	20	30		ECEDML
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000275148595	436931106	/nfs/dbraw/zinc/93/11/06/436931106.db2.gz	YFKRLEPHIDJOPF-VIFPVBQESA-N	-2	1	348.283	0.433	20	30		ECEDML
C[C@@H](Oc1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1)C(=O)[O-]	ZINC000731155383	578311011	/nfs/dbraw/zinc/31/10/11/578311011.db2.gz	ZEXOOLYLNICGJW-MRVPVSSYSA-N	-2	1	342.315	0.730	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(OCC(=O)[O-])cc1	ZINC000736126782	578409765	/nfs/dbraw/zinc/40/97/65/578409765.db2.gz	RRFWNSPWOOCDBB-UHFFFAOYSA-N	-2	1	342.315	0.732	20	30		ECEDML
C[C@@H](Oc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1)C(=O)[O-]	ZINC000794908387	578601097	/nfs/dbraw/zinc/60/10/97/578601097.db2.gz	IIXORRGVRDRUKK-MRVPVSSYSA-N	-2	1	342.315	0.730	20	30		ECEDML
CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825254819	587927194	/nfs/dbraw/zinc/92/71/94/587927194.db2.gz	VCCNDUIIAREUQV-RKDXNWHRSA-N	-2	1	330.352	0.995	20	30		ECEDML
C#CCCCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000825605822	587952836	/nfs/dbraw/zinc/95/28/36/587952836.db2.gz	RBWZHNQAMPQFDR-UHFFFAOYSA-N	-2	1	327.340	0.936	20	30		ECEDML
C#CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CSC1	ZINC000912367237	609951431	/nfs/dbraw/zinc/95/14/31/609951431.db2.gz	XSUQEYHOELJQPZ-UHFFFAOYSA-N	-2	1	330.369	0.935	20	30		ECEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000297032151	437001490	/nfs/dbraw/zinc/00/14/90/437001490.db2.gz	TZUJMZSWZSBYDC-SSDOTTSWSA-N	-2	1	339.295	0.584	20	30		ECEDML
CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-])C1CC1	ZINC000594576131	439580357	/nfs/dbraw/zinc/58/03/57/439580357.db2.gz	YSQZVEJCPLGLOY-MNOVXSKESA-N	-2	1	328.346	0.698	20	30		ECEDML
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000772720146	579213427	/nfs/dbraw/zinc/21/34/27/579213427.db2.gz	BWWDZBWVCOZULT-UHFFFAOYSA-N	-2	1	331.419	0.777	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cnn(-c3cccnc3)c2)nc1-c1nn[n-]n1	ZINC000822815389	587682297	/nfs/dbraw/zinc/68/22/97/587682297.db2.gz	QMFQVUZQMPMVDY-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000824058913	587852076	/nfs/dbraw/zinc/85/20/76/587852076.db2.gz	IRGATMRDIXHAPG-UHFFFAOYSA-N	-2	1	340.390	0.538	20	30		ECEDML
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000824058913	587852077	/nfs/dbraw/zinc/85/20/77/587852077.db2.gz	IRGATMRDIXHAPG-UHFFFAOYSA-N	-2	1	340.390	0.538	20	30		ECEDML
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826387522	588037828	/nfs/dbraw/zinc/03/78/28/588037828.db2.gz	ZJMILGRMFTZRHP-UHFFFAOYSA-N	-2	1	327.329	0.934	20	30		ECEDML
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826387522	588037830	/nfs/dbraw/zinc/03/78/30/588037830.db2.gz	ZJMILGRMFTZRHP-UHFFFAOYSA-N	-2	1	327.329	0.934	20	30		ECEDML
Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N([O-])C(=O)C(=O)[O-]	ZINC001143410049	735136430	/nfs/dbraw/zinc/13/64/30/735136430.db2.gz	UVEIIRHWGWROAX-UHFFFAOYSA-N	-2	1	343.658	0.825	20	30		ECEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000571946353	439544896	/nfs/dbraw/zinc/54/48/96/439544896.db2.gz	HXVHMYAHFHDHGT-MRVPVSSYSA-N	-2	1	332.338	0.509	20	30		ECEDML
COc1cc(C)cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1O	ZINC000737042046	578475039	/nfs/dbraw/zinc/47/50/39/578475039.db2.gz	ZVCJRKFOYJIVTE-UHFFFAOYSA-N	-2	1	340.303	0.736	20	30		ECEDML
C#CCN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1	ZINC000746260398	579834642	/nfs/dbraw/zinc/83/46/42/579834642.db2.gz	YKWVZBFVSJKTBV-UHFFFAOYSA-N	-2	1	327.344	0.135	20	30		ECEDML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820814790	587558524	/nfs/dbraw/zinc/55/85/24/587558524.db2.gz	KVJZPRLXYBLROK-INIZCTEOSA-N	-2	1	348.311	0.499	20	30		ECEDML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(S(N)(=O)=O)cn1)O2	ZINC000915961850	609928060	/nfs/dbraw/zinc/92/80/60/609928060.db2.gz	KDALXWSYVNCJFX-UHFFFAOYSA-N	-2	1	348.340	0.744	20	30		ECEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275010166	436910051	/nfs/dbraw/zinc/91/00/51/436910051.db2.gz	NDARPBRFQKSNGB-SECBINFHSA-N	-2	1	330.293	0.879	20	30		ECEDML
C=CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000297074820	437004248	/nfs/dbraw/zinc/00/42/48/437004248.db2.gz	XDQNVCFQGLLDLW-LURJTMIESA-N	-2	1	327.284	0.747	20	30		ECEDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1[O-]	ZINC000437401162	438445381	/nfs/dbraw/zinc/44/53/81/438445381.db2.gz	VFRPQLLQEBMSOG-UHFFFAOYSA-N	-2	1	333.325	1.246	20	30		ECEDML
Cc1ccn2ncc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)c2n1	ZINC000737434694	578496563	/nfs/dbraw/zinc/49/65/63/578496563.db2.gz	AWWZZLVCUOLBDM-UHFFFAOYSA-N	-2	1	335.291	0.065	20	30		ECEDML
Cc1nc(CCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cs1	ZINC000737472753	578498684	/nfs/dbraw/zinc/49/86/84/578498684.db2.gz	YFSXJTKNLBQEFU-UHFFFAOYSA-N	-2	1	329.349	0.798	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(OCC(=O)[O-])c1	ZINC000737540038	578505410	/nfs/dbraw/zinc/50/54/10/578505410.db2.gz	PQXAZHBNZFZJNW-UHFFFAOYSA-N	-2	1	342.315	0.732	20	30		ECEDML
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000737673149	578515239	/nfs/dbraw/zinc/51/52/39/578515239.db2.gz	OCZVAJFDKHUHKM-LLVKDONJSA-N	-2	1	325.332	0.643	20	30		ECEDML
CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000821245783	587579438	/nfs/dbraw/zinc/57/94/38/587579438.db2.gz	AHZOISIFUZQDHR-KOLCDFICSA-N	-2	1	330.362	0.680	20	30		ECEDML
Cn1nc2c(c1C(=O)Nc1nc(-c3nn[n-]n3)c(C#N)[n-]1)CCCC2	ZINC000822704202	587676245	/nfs/dbraw/zinc/67/62/45/587676245.db2.gz	KKKFTZKPDCMIJK-UHFFFAOYSA-N	-2	1	338.335	0.326	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2cc(F)ccc2F)nc1-c1nn[n-]n1	ZINC000822815245	587682229	/nfs/dbraw/zinc/68/22/29/587682229.db2.gz	NNAWGLOPBZCHAK-UHFFFAOYSA-N	-2	1	330.258	0.921	20	30		ECEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000826256841	588017387	/nfs/dbraw/zinc/01/73/87/588017387.db2.gz	CDPNSKAGZPPRCH-UHFFFAOYSA-N	-2	1	330.333	0.571	20	30		ECEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000826281188	588020890	/nfs/dbraw/zinc/02/08/90/588020890.db2.gz	HZSNEGJNBWYZFY-UHFFFAOYSA-N	-2	1	330.333	0.571	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)Nc2ccc(Cc3nn[nH]n3)cc2)cn1	ZINC000164319887	436930392	/nfs/dbraw/zinc/93/03/92/436930392.db2.gz	WXELMZDTISZKTQ-UHFFFAOYSA-N	-2	1	341.356	0.858	20	30		ECEDML
C=CCN(CC(=O)OCC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000746405794	579838289	/nfs/dbraw/zinc/83/82/89/579838289.db2.gz	IWMSPIDGNYREHS-UHFFFAOYSA-N	-2	1	346.343	0.936	20	30		ECEDML
COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821656188	587615582	/nfs/dbraw/zinc/61/55/82/587615582.db2.gz	ZISSGNOZXIOHNG-SFYZADRCSA-N	-2	1	344.335	0.379	20	30		ECEDML
Cc1cc(C(=O)N[C@]2(C#N)CCSC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000610414538	439614587	/nfs/dbraw/zinc/61/45/87/439614587.db2.gz	MBWGQJIJAFBOFA-AWEZNQCLSA-N	-2	1	331.357	0.874	20	30		ECEDML
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC000736262835	578418273	/nfs/dbraw/zinc/41/82/73/578418273.db2.gz	MWOPCYBVZRGPCI-UHFFFAOYSA-N	-2	1	343.361	0.407	20	30		ECEDML
C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000736264288	578418435	/nfs/dbraw/zinc/41/84/35/578418435.db2.gz	VQRUYIKQMJBGTR-BDAKNGLRSA-N	-2	1	330.352	0.995	20	30		ECEDML
CCN(CC)C(=O)CCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736524980	578433805	/nfs/dbraw/zinc/43/38/05/578433805.db2.gz	XVVIZWXEJVGQDB-UHFFFAOYSA-N	-2	1	345.367	0.439	20	30		ECEDML
CC(=O)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n(C)c1	ZINC000819834684	587492817	/nfs/dbraw/zinc/49/28/17/587492817.db2.gz	RMUYPALZLKNATM-UHFFFAOYSA-N	-2	1	325.292	0.255	20	30		ECEDML
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821378768	587589911	/nfs/dbraw/zinc/58/99/11/587589911.db2.gz	UAANQIMAHADBFH-VIFPVBQESA-N	-2	1	348.388	0.793	20	30		ECEDML
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821378766	587590190	/nfs/dbraw/zinc/59/01/90/587590190.db2.gz	UAANQIMAHADBFH-SECBINFHSA-N	-2	1	348.388	0.793	20	30		ECEDML
COc1cccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1F	ZINC000826214614	588010646	/nfs/dbraw/zinc/01/06/46/588010646.db2.gz	RCHWHNAOKAKWJK-UHFFFAOYSA-N	-2	1	328.267	0.861	20	30		ECEDML
N#Cc1[n-]c(NC(=O)C[C@@H]2CSCCS2)nc1-c1nn[n-]n1	ZINC000826382568	588037085	/nfs/dbraw/zinc/03/70/85/588037085.db2.gz	KDGAJSVRZAUUHL-ZCFIWIBFSA-N	-2	1	336.406	0.639	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])o1	ZINC000579747663	322905945	/nfs/dbraw/zinc/90/59/45/322905945.db2.gz	BRFWUAWGCKXAJL-SNVBAGLBSA-N	-2	1	335.341	0.768	20	30		ECEDML
C#C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H]1CCCO1	ZINC000775343347	586916416	/nfs/dbraw/zinc/91/64/16/586916416.db2.gz	YEORDJBXFBTWHP-KOLCDFICSA-N	-2	1	328.328	0.655	20	30		ECEDML
C#CCOc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000819709615	587486736	/nfs/dbraw/zinc/48/67/36/587486736.db2.gz	MCHFCIMWZNSLQU-UHFFFAOYSA-N	-2	1	334.299	0.726	20	30		ECEDML
CC(C)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)nn1C	ZINC000820187629	587516102	/nfs/dbraw/zinc/51/61/02/587516102.db2.gz	KABGZNPWZJGXRI-UHFFFAOYSA-N	-2	1	326.324	0.571	20	30		ECEDML
C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000820555081	587541447	/nfs/dbraw/zinc/54/14/47/587541447.db2.gz	FWTLVLZADTVITF-SSDOTTSWSA-N	-2	1	341.360	0.976	20	30		ECEDML
C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820555081	587541449	/nfs/dbraw/zinc/54/14/49/587541449.db2.gz	FWTLVLZADTVITF-SSDOTTSWSA-N	-2	1	341.360	0.976	20	30		ECEDML
COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821656186	587615324	/nfs/dbraw/zinc/61/53/24/587615324.db2.gz	ZISSGNOZXIOHNG-HTQZYQBOSA-N	-2	1	344.335	0.379	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2csc(NC3CC3)n2)nc1-c1nn[n-]n1	ZINC000822815676	587682055	/nfs/dbraw/zinc/68/20/55/587682055.db2.gz	WKFVFFXLAJJFPF-UHFFFAOYSA-N	-2	1	342.348	0.745	20	30		ECEDML
CN(C)c1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(F)c1	ZINC000825875236	587968353	/nfs/dbraw/zinc/96/83/53/587968353.db2.gz	GUJLOAUJDHTWCO-UHFFFAOYSA-N	-2	1	341.310	0.919	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])o1	ZINC000558473925	438810662	/nfs/dbraw/zinc/81/06/62/438810662.db2.gz	VZRPTUPIGNGLKJ-LLVKDONJSA-N	-2	1	335.341	0.768	20	30		ECEDML
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)[O-]	ZINC000542860938	439561051	/nfs/dbraw/zinc/56/10/51/439561051.db2.gz	YFKFDBVPPTVXRH-VIFPVBQESA-N	-2	1	329.330	0.601	20	30		ECEDML
CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000821245784	587579679	/nfs/dbraw/zinc/57/96/79/587579679.db2.gz	AHZOISIFUZQDHR-MWLCHTKSSA-N	-2	1	330.362	0.680	20	30		ECEDML
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1nnc2ccccc2c1O	ZINC000831092350	588404524	/nfs/dbraw/zinc/40/45/24/588404524.db2.gz	UQPAGBIDDCVNSE-SECBINFHSA-N	-2	1	327.300	0.663	20	30		ECEDML
Cc1cc(C(=O)NC2(C#N)CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000339977421	301128952	/nfs/dbraw/zinc/12/89/52/301128952.db2.gz	MCZNBPVUJQIMCB-UHFFFAOYSA-N	-2	1	329.316	0.547	20	30		ECEDML
O=C([O-])CCOc1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1	ZINC000731155072	578310870	/nfs/dbraw/zinc/31/08/70/578310870.db2.gz	QVATXCWTEVHDQS-UHFFFAOYSA-N	-2	1	342.315	0.732	20	30		ECEDML
C[C@H](C#N)CNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736200854	578414678	/nfs/dbraw/zinc/41/46/78/578414678.db2.gz	DVORRBOVKTVMIH-SNVBAGLBSA-N	-2	1	328.328	0.682	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])o1	ZINC000806635253	587102043	/nfs/dbraw/zinc/10/20/43/587102043.db2.gz	PVLUIWAFIPSFRQ-LLVKDONJSA-N	-2	1	328.346	0.699	20	30		ECEDML
COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821688022	587622182	/nfs/dbraw/zinc/62/21/82/587622182.db2.gz	ZZCVHOJZZJWQOV-QMMMGPOBSA-N	-2	1	334.361	0.403	20	30		ECEDML
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000736451202	578429526	/nfs/dbraw/zinc/42/95/26/578429526.db2.gz	KLDJPLUSBHYPSL-NSHDSACASA-N	-2	1	327.348	0.891	20	30		ECEDML
O=C([O-])N[C@H]1CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2ccccc21	ZINC000834158792	588885708	/nfs/dbraw/zinc/88/57/08/588885708.db2.gz	VXAYCJRLGZQIJB-JTQLQIEISA-N	-2	1	339.315	0.961	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2c[nH]c3ncccc23)nc1-c1nn[n-]n1	ZINC000822814503	587681945	/nfs/dbraw/zinc/68/19/45/587681945.db2.gz	GNWSFUQKSDHQQE-UHFFFAOYSA-N	-2	1	334.303	0.519	20	30		ECEDML
C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)[O-]	ZINC000864185488	590059250	/nfs/dbraw/zinc/05/92/50/590059250.db2.gz	WGFQDFRGZYJGJL-ZETCQYMHSA-N	-2	1	336.753	0.513	20	30		ECEDML
N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000737672775	578515115	/nfs/dbraw/zinc/51/51/15/578515115.db2.gz	KQLATKJSNIIYRF-CYBMUJFWSA-N	-2	1	347.338	0.901	20	30		ECEDML
N#Cc1[n-]c(NC(=O)COc2ccc(O)cc2)nc1-c1nn[n-]n1	ZINC000822815380	587682305	/nfs/dbraw/zinc/68/23/05/587682305.db2.gz	QDQGKEPPYZHQDY-UHFFFAOYSA-N	-2	1	326.276	0.185	20	30		ECEDML
CC1(C)OCC(C)(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CO1	ZINC000824813189	587895303	/nfs/dbraw/zinc/89/53/03/587895303.db2.gz	VHDMDXBUXORGDM-UHFFFAOYSA-N	-2	1	332.324	0.189	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccnc(Cl)c2F)nc1-c1nn[n-]n1	ZINC000826382653	588036936	/nfs/dbraw/zinc/03/69/36/588036936.db2.gz	ORNOMXAAAOUJBN-UHFFFAOYSA-N	-2	1	333.674	0.901	20	30		ECEDML
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])n1	ZINC000548768585	302325857	/nfs/dbraw/zinc/32/58/57/302325857.db2.gz	LHPLPPXEYGSCAX-NSHDSACASA-N	-2	1	338.345	0.396	20	30		ECEDML
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000614327742	439774046	/nfs/dbraw/zinc/77/40/46/439774046.db2.gz	YFKRLEPHIDJOPF-SECBINFHSA-N	-2	1	348.283	0.433	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc(-c3ncon3)cc2)nc1-c1nn[n-]n1	ZINC000737705312	578518526	/nfs/dbraw/zinc/51/85/26/578518526.db2.gz	NXMXYSAVHIAENQ-UHFFFAOYSA-N	-2	1	348.286	0.764	20	30		ECEDML
CC(CCc1ccc(OCC(=O)[O-])cc1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814890504	587279678	/nfs/dbraw/zinc/27/96/78/587279678.db2.gz	WEIIXRARCRKYJW-UHFFFAOYSA-N	-2	1	332.316	0.061	20	30		ECEDML
CC(C)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n(C)n1	ZINC000820187756	587516053	/nfs/dbraw/zinc/51/60/53/587516053.db2.gz	PLFQNBJYSKGTIT-UHFFFAOYSA-N	-2	1	326.324	0.571	20	30		ECEDML
Cc1c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)sc2nccn12	ZINC000826235018	588013652	/nfs/dbraw/zinc/01/36/52/588013652.db2.gz	ZOHGPLZXMOYIKB-UHFFFAOYSA-N	-2	1	340.332	0.731	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)o1	ZINC000806636319	608631369	/nfs/dbraw/zinc/63/13/69/608631369.db2.gz	YPLBBZGSYYKORV-STQMWFEESA-N	-2	1	336.325	0.616	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(CC(=O)[O-])cs2)o1	ZINC000287290641	268202482	/nfs/dbraw/zinc/20/24/82/268202482.db2.gz	SAFXLLOUQUHJRS-UHFFFAOYSA-N	-2	1	341.370	0.756	20	30		ECEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000574016546	439678764	/nfs/dbraw/zinc/67/87/64/439678764.db2.gz	HLMXBFPVTFICPO-QMMMGPOBSA-N	-2	1	332.338	0.509	20	30		ECEDML
Cc1noc(Cl)c1CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000737546052	578505693	/nfs/dbraw/zinc/50/56/93/578505693.db2.gz	JPRWRXRSFOFKIX-UHFFFAOYSA-N	-2	1	333.699	0.593	20	30		ECEDML
N#C[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C1CC1	ZINC000739075912	579665203	/nfs/dbraw/zinc/66/52/03/579665203.db2.gz	VYASUOWCGXCKHP-AWEZNQCLSA-N	-2	1	340.339	0.825	20	30		ECEDML
CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825254815	587927459	/nfs/dbraw/zinc/92/74/59/587927459.db2.gz	VCCNDUIIAREUQV-BDAKNGLRSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CSCc2cscn2)nc1-c1nn[n-]n1	ZINC000826382676	588036875	/nfs/dbraw/zinc/03/68/75/588036875.db2.gz	PRHJDGQBQLUFLC-UHFFFAOYSA-N	-2	1	347.389	0.790	20	30		ECEDML
O=C([O-])CCOc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1	ZINC000731157612	578310971	/nfs/dbraw/zinc/31/09/71/578310971.db2.gz	PAEYOBALQFEJCA-UHFFFAOYSA-N	-2	1	342.315	0.732	20	30		ECEDML
CNc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc(Cl)n1	ZINC000736887795	578461618	/nfs/dbraw/zinc/46/16/18/578461618.db2.gz	RJJGWJIPZTZQBJ-UHFFFAOYSA-N	-2	1	344.726	0.804	20	30		ECEDML
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814890242	587279880	/nfs/dbraw/zinc/27/98/80/587279880.db2.gz	RQZAHCJMBODXCK-JTQLQIEISA-N	-2	1	346.343	0.449	20	30		ECEDML
COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821688021	587621938	/nfs/dbraw/zinc/62/19/38/587621938.db2.gz	ZZCVHOJZZJWQOV-MRVPVSSYSA-N	-2	1	334.361	0.403	20	30		ECEDML
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826322087	588024297	/nfs/dbraw/zinc/02/42/97/588024297.db2.gz	YYNIHMYKVOLKLD-ZCFIWIBFSA-N	-2	1	340.351	0.934	20	30		ECEDML
O=C([O-])N[C@@H]1CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2ccccc21	ZINC000834158793	588885760	/nfs/dbraw/zinc/88/57/60/588885760.db2.gz	VXAYCJRLGZQIJB-SNVBAGLBSA-N	-2	1	339.315	0.961	20	30		ECEDML
C#C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H]1CCCO1	ZINC000775343340	586916464	/nfs/dbraw/zinc/91/64/64/586916464.db2.gz	YEORDJBXFBTWHP-GXSJLCMTSA-N	-2	1	328.328	0.655	20	30		ECEDML
N#Cc1[n-]c(NC(=O)C[C@H]2CSCCS2)nc1-c1nn[n-]n1	ZINC000826382567	588037096	/nfs/dbraw/zinc/03/70/96/588037096.db2.gz	KDGAJSVRZAUUHL-LURJTMIESA-N	-2	1	336.406	0.639	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CN2Cc3ccccc3C2=O)nc1-c1nn[n-]n1	ZINC000737706726	578518598	/nfs/dbraw/zinc/51/85/98/578518598.db2.gz	YPUKMELYTGHHCS-UHFFFAOYSA-N	-2	1	349.314	0.056	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2csc3nccn23)nc1-c1nn[n-]n1	ZINC000822814551	587681939	/nfs/dbraw/zinc/68/19/39/587681939.db2.gz	JAJUTTBOVHXLLL-UHFFFAOYSA-N	-2	1	340.332	0.352	20	30		ECEDML
CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825254816	587927226	/nfs/dbraw/zinc/92/72/26/587927226.db2.gz	VCCNDUIIAREUQV-DTWKUNHWSA-N	-2	1	330.352	0.995	20	30		ECEDML
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])n1	ZINC000548768584	302325775	/nfs/dbraw/zinc/32/57/75/302325775.db2.gz	LHPLPPXEYGSCAX-LLVKDONJSA-N	-2	1	338.345	0.396	20	30		ECEDML
Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000738921985	579656432	/nfs/dbraw/zinc/65/64/32/579656432.db2.gz	ARIPMVAAAAACAH-UHFFFAOYSA-N	-2	1	344.335	0.166	20	30		ECEDML
C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000820555082	587541416	/nfs/dbraw/zinc/54/14/16/587541416.db2.gz	FWTLVLZADTVITF-ZETCQYMHSA-N	-2	1	341.360	0.976	20	30		ECEDML
C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820555082	587541417	/nfs/dbraw/zinc/54/14/17/587541417.db2.gz	FWTLVLZADTVITF-ZETCQYMHSA-N	-2	1	341.360	0.976	20	30		ECEDML
N#Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1	ZINC000822842703	587683219	/nfs/dbraw/zinc/68/32/19/587683219.db2.gz	URPXULWWBFXHEB-UHFFFAOYSA-N	-2	1	334.346	0.391	20	30		ECEDML
N#Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1	ZINC000822842703	587683220	/nfs/dbraw/zinc/68/32/20/587683220.db2.gz	URPXULWWBFXHEB-UHFFFAOYSA-N	-2	1	334.346	0.391	20	30		ECEDML
CCc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc(=O)[nH]1	ZINC000825693767	587956572	/nfs/dbraw/zinc/95/65/72/587956572.db2.gz	DMASVCUGAYZZDI-UHFFFAOYSA-N	-2	1	325.292	0.377	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc(-n3ccnn3)c2)nc1-c1nn[n-]n1	ZINC000826382817	588036930	/nfs/dbraw/zinc/03/69/30/588036930.db2.gz	WJBWEOJZRUCAID-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccccc1OCC(=O)[O-]	ZINC000833387089	588537426	/nfs/dbraw/zinc/53/74/26/588537426.db2.gz	NHVRKEZFUFNLRD-UHFFFAOYSA-N	-2	1	342.315	0.732	20	30		ECEDML
C[C@@H]1CC(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)=NO1	ZINC000833601411	588551649	/nfs/dbraw/zinc/55/16/49/588551649.db2.gz	UTBXIIRAPVFWGA-SECBINFHSA-N	-2	1	344.327	0.645	20	30		ECEDML
C=CCOCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851702253	589417030	/nfs/dbraw/zinc/41/70/30/589417030.db2.gz	LKBZZNAJRXCYMJ-SCZZXKLOSA-N	-2	1	338.282	0.312	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)o1	ZINC000558474080	438810250	/nfs/dbraw/zinc/81/02/50/438810250.db2.gz	JTKGKMCDVNIDBT-NSHDSACASA-N	-2	1	328.346	0.699	20	30		ECEDML
CC(C)Nc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cn1	ZINC000820137911	587512177	/nfs/dbraw/zinc/51/21/77/587512177.db2.gz	QCEWVURLGHQBGT-UHFFFAOYSA-N	-2	1	338.335	0.929	20	30		ECEDML
CC(C)CCn1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)nn1	ZINC000735818567	578396954	/nfs/dbraw/zinc/39/69/54/578396954.db2.gz	MREHQNFICJKJFW-UHFFFAOYSA-N	-2	1	341.339	0.351	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc(N)nc(Cl)c2)nc1-c1nn[n-]n1	ZINC000737705266	578518330	/nfs/dbraw/zinc/51/83/30/578518330.db2.gz	NAOYXEVOOAFOIO-UHFFFAOYSA-N	-2	1	330.699	0.344	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1-c1nn[n-]n1	ZINC000737705265	578518359	/nfs/dbraw/zinc/51/83/59/578518359.db2.gz	MZGHICCPGKLUGC-UHFFFAOYSA-N	-2	1	343.238	0.761	20	30		ECEDML
CCc1cc([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc(-c2ccccn2)n1	ZINC000814221687	587271651	/nfs/dbraw/zinc/27/16/51/587271651.db2.gz	JNLLHCJTWQIEFS-UHFFFAOYSA-N	-2	1	339.315	0.235	20	30		ECEDML
COc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)ccc1F	ZINC000821703012	587625967	/nfs/dbraw/zinc/62/59/67/587625967.db2.gz	KVQAKVQEUKQTDN-UHFFFAOYSA-N	-2	1	328.267	0.861	20	30		ECEDML
CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825254818	587927296	/nfs/dbraw/zinc/92/72/96/587927296.db2.gz	VCCNDUIIAREUQV-IUCAKERBSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#CCc1ccccc1CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826382581	588036859	/nfs/dbraw/zinc/03/68/59/588036859.db2.gz	KXJLKRGGSDMFNB-UHFFFAOYSA-N	-2	1	333.315	0.709	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c(F)c1	ZINC000826385934	588037940	/nfs/dbraw/zinc/03/79/40/588037940.db2.gz	IBGHPOXHHRMEPT-UHFFFAOYSA-N	-2	1	334.296	0.401	20	30		ECEDML
C#C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCOCC1	ZINC000856108275	589654576	/nfs/dbraw/zinc/65/45/76/589654576.db2.gz	GDQFAEMWAXKKMC-LLVKDONJSA-N	-2	1	342.355	0.903	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])o1	ZINC000520270699	268258118	/nfs/dbraw/zinc/25/81/18/268258118.db2.gz	UWLOBFMDJHULBN-LBPRGKRZSA-N	-2	1	336.325	0.831	20	30		ECEDML
Cc1c([C@H]([N-]S(=O)(=O)c2ccsc2C#N)C(=O)[O-])cnn1C	ZINC000593270480	439359820	/nfs/dbraw/zinc/35/98/20/439359820.db2.gz	FWRYRXUIQXYRJP-NSHDSACASA-N	-2	1	340.386	0.766	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CSC[C@H]2CCCCO2)nc1-c1nn[n-]n1	ZINC000737705267	578518394	/nfs/dbraw/zinc/51/83/94/578518394.db2.gz	NBRDQAOINZYQJZ-MRVPVSSYSA-N	-2	1	348.392	0.702	20	30		ECEDML
CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825180993	587921421	/nfs/dbraw/zinc/92/14/21/587921421.db2.gz	BMJSKHZEXXINLN-IUCAKERBSA-N	-2	1	330.352	0.995	20	30		ECEDML
COC1CCC(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1	ZINC000826144869	587997781	/nfs/dbraw/zinc/99/77/81/587997781.db2.gz	UPBWBVVTRWKJQI-UHFFFAOYSA-N	-2	1	330.352	0.995	20	30		ECEDML
COc1nc(C)ccc1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826221449	588011288	/nfs/dbraw/zinc/01/12/88/588011288.db2.gz	GQVITZSMTVLOEU-UHFFFAOYSA-N	-2	1	325.292	0.426	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ncn(-c3ccccc3)n2)nc1-c1nn[n-]n1	ZINC000826382357	588037166	/nfs/dbraw/zinc/03/71/66/588037166.db2.gz	AKLILVWKSXAZJZ-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
O=C([O-])COc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1	ZINC000731157059	578310995	/nfs/dbraw/zinc/31/09/95/578310995.db2.gz	DOAOXCVFRSKTFB-UHFFFAOYSA-N	-2	1	328.288	0.341	20	30		ECEDML
N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000737672777	578515210	/nfs/dbraw/zinc/51/52/10/578515210.db2.gz	KQLATKJSNIIYRF-ZDUSSCGKSA-N	-2	1	347.338	0.901	20	30		ECEDML
O=C1[N-]C(=O)C(=N[N-]c2ncnc3sc4c(c32)CCC4)C(=O)N1	ZINC000814213387	587271781	/nfs/dbraw/zinc/27/17/81/587271781.db2.gz	KRRFROSXYFHUNL-UHFFFAOYSA-N	-2	1	330.329	0.314	20	30		ECEDML
Cc1ccn2ncc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)c2c1	ZINC000826308669	588022572	/nfs/dbraw/zinc/02/25/72/588022572.db2.gz	KJCLRRBVTJUQSF-UHFFFAOYSA-N	-2	1	334.303	0.670	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc3c(s2)CCOC3)nc1-c1nn[n-]n1	ZINC000737706088	578518425	/nfs/dbraw/zinc/51/84/25/578518425.db2.gz	VYFBQANHNGCZJJ-UHFFFAOYSA-N	-2	1	342.344	0.848	20	30		ECEDML
O=C([O-])Cn1cc(C=Nn2c(=O)cn[n-]c2=S)c2ccccc21	ZINC000799887191	578671282	/nfs/dbraw/zinc/67/12/82/578671282.db2.gz	QBNSOTHECRNBAE-UHFFFAOYSA-N	-2	1	329.341	0.849	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc(-n3cccc3)nc2)nc1-c1nn[n-]n1	ZINC000822815744	587682201	/nfs/dbraw/zinc/68/22/01/587682201.db2.gz	ZYNKPPDIYQVVGK-UHFFFAOYSA-N	-2	1	346.314	0.899	20	30		ECEDML
Cc1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)c1C#N	ZINC000826304034	588022155	/nfs/dbraw/zinc/02/21/55/588022155.db2.gz	SLDPYIJFLGCTEQ-UHFFFAOYSA-N	-2	1	344.360	0.581	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])o1	ZINC000806635254	587102267	/nfs/dbraw/zinc/10/22/67/587102267.db2.gz	PVLUIWAFIPSFRQ-NSHDSACASA-N	-2	1	328.346	0.699	20	30		ECEDML
COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821656187	587615455	/nfs/dbraw/zinc/61/54/55/587615455.db2.gz	ZISSGNOZXIOHNG-JGVFFNPUSA-N	-2	1	344.335	0.379	20	30		ECEDML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000822623513	587670087	/nfs/dbraw/zinc/67/00/87/587670087.db2.gz	YJALQMOXVZRWBK-UHFFFAOYSA-N	-2	1	330.333	0.273	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1	ZINC000822833862	587682772	/nfs/dbraw/zinc/68/27/72/587682772.db2.gz	YBCDEBJJYHIFQR-UHFFFAOYSA-N	-2	1	333.358	0.996	20	30		ECEDML
C#CCN(CC#C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000825609030	587952961	/nfs/dbraw/zinc/95/29/61/587952961.db2.gz	OQWBATLPAYGIHK-UHFFFAOYSA-N	-2	1	337.335	0.501	20	30		ECEDML
C[C@@H](CC#N)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000342980543	438096442	/nfs/dbraw/zinc/09/64/42/438096442.db2.gz	UPHUBFORIQIGGQ-QMMMGPOBSA-N	-2	1	335.382	0.778	20	30		ECEDML
N#Cc1[n-]c(NC(=O)C2=Cc3ccccc3OC2)nc1-c1nn[n-]n1	ZINC000822815283	587681919	/nfs/dbraw/zinc/68/19/19/587681919.db2.gz	OCYJRPICLYTHGY-UHFFFAOYSA-N	-2	1	334.299	0.876	20	30		ECEDML
COCc1nc(C)c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)s1	ZINC000826165207	588004095	/nfs/dbraw/zinc/00/40/95/588004095.db2.gz	KBNWHYFYWPGXQC-UHFFFAOYSA-N	-2	1	345.348	0.625	20	30		ECEDML
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1-c1nn[n-]n1	ZINC000826281066	588020346	/nfs/dbraw/zinc/02/03/46/588020346.db2.gz	BWDZWEPNBMKNBT-UHFFFAOYSA-N	-2	1	344.360	0.879	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)o1	ZINC000806636317	608631391	/nfs/dbraw/zinc/63/13/91/608631391.db2.gz	YPLBBZGSYYKORV-QWHCGFSZSA-N	-2	1	336.325	0.616	20	30		ECEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC000596032917	438916167	/nfs/dbraw/zinc/91/61/67/438916167.db2.gz	GNACPDSWHNTPHE-SECBINFHSA-N	-2	1	329.330	0.520	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)C(=O)[O-])s1	ZINC000567211607	439123396	/nfs/dbraw/zinc/12/33/96/439123396.db2.gz	QBNWKACOTRKWHZ-NSHDSACASA-N	-2	1	343.430	0.837	20	30		ECEDML
CN(CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)C(=O)OC(C)(C)C	ZINC000736787270	578452327	/nfs/dbraw/zinc/45/23/27/578452327.db2.gz	IYSMVIZCXLIGNK-UHFFFAOYSA-N	-2	1	347.339	0.267	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc(-n3cccn3)n2)nc1-c1nn[n-]n1	ZINC000737703752	578518150	/nfs/dbraw/zinc/51/81/50/578518150.db2.gz	BGRFAIMCVNUWKV-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2csc3cncn32)nc1-c1nn[n-]n1	ZINC000822814198	587682039	/nfs/dbraw/zinc/68/20/39/587682039.db2.gz	CFGQEOBUKDHWSE-UHFFFAOYSA-N	-2	1	326.305	0.423	20	30		ECEDML
C#CC[C@@H](CCOC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000863787788	590038310	/nfs/dbraw/zinc/03/83/10/590038310.db2.gz	WNUVIBNRXBJPAN-JTQLQIEISA-N	-2	1	330.344	0.903	20	30		ECEDML
C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)[O-]	ZINC000864185487	590059274	/nfs/dbraw/zinc/05/92/74/590059274.db2.gz	WGFQDFRGZYJGJL-SSDOTTSWSA-N	-2	1	336.753	0.513	20	30		ECEDML
Cc1cc(C(=O)N2CCSC[C@H]2C#N)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000271708203	301111447	/nfs/dbraw/zinc/11/14/47/301111447.db2.gz	IYYKRVKMDIVXTF-MRVPVSSYSA-N	-2	1	331.357	0.826	20	30		ECEDML
CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-])C1CC1	ZINC000594576130	439580424	/nfs/dbraw/zinc/58/04/24/439580424.db2.gz	YSQZVEJCPLGLOY-GHMZBOCLSA-N	-2	1	328.346	0.698	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccnc(-n3cccn3)c2)nc1-c1nn[n-]n1	ZINC000737704192	578518313	/nfs/dbraw/zinc/51/83/13/578518313.db2.gz	DNPGXDYXULVFMK-UHFFFAOYSA-N	-2	1	347.302	0.294	20	30		ECEDML
O=C1[N-]C(=O)C(=N[N-]c2ncc(C(F)(F)F)cc2Cl)C(=O)N1	ZINC000814212918	587271690	/nfs/dbraw/zinc/27/16/90/587271690.db2.gz	PMIBAMXHXNQCHI-UHFFFAOYSA-N	-2	1	335.629	0.888	20	30		ECEDML
O=C([O-])c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1	ZINC000833312837	588534509	/nfs/dbraw/zinc/53/45/09/588534509.db2.gz	XWLABAGTMJHTPP-UHFFFAOYSA-N	-2	1	338.301	0.934	20	30		ECEDML
CC#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC000596032918	438915264	/nfs/dbraw/zinc/91/52/64/438915264.db2.gz	GNACPDSWHNTPHE-VIFPVBQESA-N	-2	1	329.330	0.520	20	30		ECEDML
CC(=O)c1csc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000735505742	578386999	/nfs/dbraw/zinc/38/69/99/578386999.db2.gz	VYTIENGPNYGCMH-UHFFFAOYSA-N	-2	1	328.317	0.978	20	30		ECEDML
O=C([O-])c1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH]1	ZINC000814865814	587279907	/nfs/dbraw/zinc/27/99/07/587279907.db2.gz	ZUKXATYGJVLEOJ-UHFFFAOYSA-N	-2	1	338.301	0.934	20	30		ECEDML
CC(C)n1ccc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n1	ZINC000820214512	587517096	/nfs/dbraw/zinc/51/70/96/587517096.db2.gz	GFAOVDIECGYBDP-UHFFFAOYSA-N	-2	1	326.324	0.420	20	30		ECEDML
O=C([O-])N1CCc2cccc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)c21	ZINC000832080561	588467155	/nfs/dbraw/zinc/46/71/55/588467155.db2.gz	ZYUZIACZYQXRSD-UHFFFAOYSA-N	-2	1	339.315	0.919	20	30		ECEDML
CCOC(=O)c1c(C)n[n-]c1S(=O)(=O)[N-]c1ccncc1C#N	ZINC000912563006	609968719	/nfs/dbraw/zinc/96/87/19/609968719.db2.gz	RGMONXGMPYMHGE-UHFFFAOYSA-N	-2	1	335.345	0.384	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])o1	ZINC000579747659	322905961	/nfs/dbraw/zinc/90/59/61/322905961.db2.gz	BRFWUAWGCKXAJL-JTQLQIEISA-N	-2	1	335.341	0.768	20	30		ECEDML
C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736276037	578419036	/nfs/dbraw/zinc/41/90/36/578419036.db2.gz	YARUIHJKKNMQGP-SCZZXKLOSA-N	-2	1	330.352	0.995	20	30		ECEDML
CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000736615754	578442112	/nfs/dbraw/zinc/44/21/12/578442112.db2.gz	MYQDIPKMGXHGAS-NSHDSACASA-N	-2	1	343.347	0.127	20	30		ECEDML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000822623327	587670395	/nfs/dbraw/zinc/67/03/95/587670395.db2.gz	TVIYEQUTIHCIIO-UHFFFAOYSA-N	-2	1	330.333	0.273	20	30		ECEDML
CCCNC(=O)CCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736483864	578431138	/nfs/dbraw/zinc/43/11/38/578431138.db2.gz	ROQLDCNGDGKLSI-UHFFFAOYSA-N	-2	1	331.340	0.096	20	30		ECEDML
CC[C@@H](C#N)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736848442	578456779	/nfs/dbraw/zinc/45/67/79/578456779.db2.gz	LARYGWVENAUICF-NSHDSACASA-N	-2	1	328.328	0.825	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(C(=O)[O-])ccc1O	ZINC000757465098	586889510	/nfs/dbraw/zinc/88/95/10/586889510.db2.gz	KPOIFJWLJUWVBW-UHFFFAOYSA-N	-2	1	328.288	0.672	20	30		ECEDML
CC(C)Oc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)ccn1	ZINC000820146906	587513259	/nfs/dbraw/zinc/51/32/59/587513259.db2.gz	UJGURGSFVTUXFJ-UHFFFAOYSA-N	-2	1	339.319	0.896	20	30		ECEDML
CNC(=O)c1cccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000821635119	587611132	/nfs/dbraw/zinc/61/11/32/587611132.db2.gz	NAJNWKYDRYMXEZ-UHFFFAOYSA-N	-2	1	337.303	0.073	20	30		ECEDML
Cc1c(CCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cnn1C	ZINC000826236650	588013865	/nfs/dbraw/zinc/01/38/65/588013865.db2.gz	WPWGYMIBSDRVSD-UHFFFAOYSA-N	-2	1	326.324	0.075	20	30		ECEDML
Cc1cc(C(=O)N2CCN(CC#N)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000345552501	437792286	/nfs/dbraw/zinc/79/22/86/437792286.db2.gz	UCFYYNDCLZCLKP-UHFFFAOYSA-N	-2	1	328.332	0.026	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749608461	579340116	/nfs/dbraw/zinc/34/01/16/579340116.db2.gz	MOLXMTAAFBCZFZ-UHFFFAOYSA-N	-2	1	329.276	0.882	20	30		ECEDML
CC(C)NC(=O)CCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000735884630	578399268	/nfs/dbraw/zinc/39/92/68/578399268.db2.gz	MQWFXLYNDRMELK-UHFFFAOYSA-N	-2	1	331.340	0.095	20	30		ECEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758110893	586895498	/nfs/dbraw/zinc/89/54/98/586895498.db2.gz	RLJJEDDWJMUEQI-UHFFFAOYSA-N	-2	1	329.276	0.882	20	30		ECEDML
Cn1cnc2cc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)ccc21	ZINC000826364789	588035359	/nfs/dbraw/zinc/03/53/59/588035359.db2.gz	LBPNZLDNEMYTEM-UHFFFAOYSA-N	-2	1	334.303	0.600	20	30		ECEDML
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000548204452	302289560	/nfs/dbraw/zinc/28/95/60/302289560.db2.gz	ZHYFADFSBHCKPZ-MRVPVSSYSA-N	-2	1	334.256	0.043	20	30		ECEDML
Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cn1	ZINC000554531411	322171324	/nfs/dbraw/zinc/17/13/24/322171324.db2.gz	YQZKHKOHGKHJNH-JTQLQIEISA-N	-2	1	338.345	0.107	20	30		ECEDML
O=C([O-])COc1ccccc1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000731154923	578310823	/nfs/dbraw/zinc/31/08/23/578310823.db2.gz	KIFXMXKDSLIJIU-UHFFFAOYSA-N	-2	1	328.288	0.341	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CCCn2ccccc2=O)nc1-c1nn[n-]n1	ZINC000737704331	578518251	/nfs/dbraw/zinc/51/82/51/578518251.db2.gz	DSXSDXWDVQMLNL-UHFFFAOYSA-N	-2	1	339.319	0.042	20	30		ECEDML
O=C1[N-]C(=O)C(=N[N-]c2nc(-c3ccc(Cl)cc3)no2)C(=O)N1	ZINC000814221717	587271696	/nfs/dbraw/zinc/27/16/96/587271696.db2.gz	KPRQAUZBBFCHAC-UHFFFAOYSA-N	-2	1	334.679	0.524	20	30		ECEDML
N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000822833570	587682764	/nfs/dbraw/zinc/68/27/64/587682764.db2.gz	RWLQEZYCXICBNC-UHFFFAOYSA-N	-2	1	343.328	0.640	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@H](F)Cc2ccccc2)nc1-c1nn[n-]n1	ZINC000826382502	588037146	/nfs/dbraw/zinc/03/71/46/588037146.db2.gz	HPWVQIXUKHHVPL-SECBINFHSA-N	-2	1	326.295	0.981	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1-c1nn[nH]n1	ZINC000826382850	588037363	/nfs/dbraw/zinc/03/73/63/588037363.db2.gz	XTOQVKHFBDJOAQ-UHFFFAOYSA-N	-2	1	341.247	0.328	20	30		ECEDML
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=NC1=NCC(=O)[N-]1	ZINC000863177759	589991542	/nfs/dbraw/zinc/99/15/42/589991542.db2.gz	VZDNGCMVCATOPN-NSHDSACASA-N	-2	1	332.360	0.922	20	30		ECEDML
Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000610414539	439614215	/nfs/dbraw/zinc/61/42/15/439614215.db2.gz	MBWGQJIJAFBOFA-CQSZACIVSA-N	-2	1	331.357	0.874	20	30		ECEDML
C#CC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC	ZINC000837942747	588966499	/nfs/dbraw/zinc/96/64/99/588966499.db2.gz	HEWHKIONQKOQMK-MRVPVSSYSA-N	-2	1	330.300	0.039	20	30		ECEDML
C#CC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC	ZINC000837942748	588966554	/nfs/dbraw/zinc/96/65/54/588966554.db2.gz	HEWHKIONQKOQMK-QMMMGPOBSA-N	-2	1	330.300	0.039	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc1-c1nn[n-]n1	ZINC000822814929	587682222	/nfs/dbraw/zinc/68/22/22/587682222.db2.gz	LOKWOQHFEYKUGB-UHFFFAOYSA-N	-2	1	339.275	0.551	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2ccc(F)c(F)c2)nc1-c1nn[n-]n1	ZINC000822815509	587682311	/nfs/dbraw/zinc/68/23/11/587682311.db2.gz	RXQVJVINBLUQKO-UHFFFAOYSA-N	-2	1	330.258	0.921	20	30		ECEDML
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=NC1=NCC(=O)[N-]1	ZINC000863177757	589991536	/nfs/dbraw/zinc/99/15/36/589991536.db2.gz	VZDNGCMVCATOPN-LLVKDONJSA-N	-2	1	332.360	0.922	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1	ZINC000352111661	268207337	/nfs/dbraw/zinc/20/73/37/268207337.db2.gz	ZAAUWQTXTFWMRW-UHFFFAOYSA-N	-2	1	327.329	0.934	20	30		ECEDML
CC(C)Oc1cncc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000820178194	587514693	/nfs/dbraw/zinc/51/46/93/587514693.db2.gz	KOQCOTRLFVOZNT-UHFFFAOYSA-N	-2	1	339.319	0.896	20	30		ECEDML
CCNc1ncc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)s1	ZINC000821315941	587584869	/nfs/dbraw/zinc/58/48/69/587584869.db2.gz	ZSXIPNCTGRSMJB-UHFFFAOYSA-N	-2	1	330.337	0.602	20	30		ECEDML
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000822693634	587675713	/nfs/dbraw/zinc/67/57/13/587675713.db2.gz	IGSMKMZRMNUUDW-ZETCQYMHSA-N	-2	1	327.329	0.867	20	30		ECEDML
C=CCn1c(=O)c2ccc(C(=O)Nc3nnn[n-]3)cc2[n-]c1=S	ZINC000728207489	578288238	/nfs/dbraw/zinc/28/82/38/578288238.db2.gz	BYONSPGMUIIGDU-UHFFFAOYSA-N	-2	1	329.345	0.637	20	30		ECEDML
C=CCn1c(=O)c2ccc(C(=O)Nc3nn[n-]n3)cc2[n-]c1=S	ZINC000728207489	578288239	/nfs/dbraw/zinc/28/82/39/578288239.db2.gz	BYONSPGMUIIGDU-UHFFFAOYSA-N	-2	1	329.345	0.637	20	30		ECEDML
N#CCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737696054	578517542	/nfs/dbraw/zinc/51/75/42/578517542.db2.gz	ZUGZHDFPXBMZNN-UHFFFAOYSA-N	-2	1	345.348	0.173	20	30		ECEDML
N#CCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737696054	578517544	/nfs/dbraw/zinc/51/75/44/578517544.db2.gz	ZUGZHDFPXBMZNN-UHFFFAOYSA-N	-2	1	345.348	0.173	20	30		ECEDML
O=C(NO)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC000843043562	589047565	/nfs/dbraw/zinc/04/75/65/589047565.db2.gz	YBDRIPLVXMDHNV-UHFFFAOYSA-N	-2	1	349.328	0.588	20	30		ECEDML
CC(C)(C)c1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)no1	ZINC000819958490	587499511	/nfs/dbraw/zinc/49/95/11/587499511.db2.gz	MFUZRSBWLKTIAH-UHFFFAOYSA-N	-2	1	327.308	0.999	20	30		ECEDML
CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(CC(=O)[O-])nn2)o1	ZINC000820202007	587516311	/nfs/dbraw/zinc/51/63/11/587516311.db2.gz	DMGRVPDCPIDPAG-UHFFFAOYSA-N	-2	1	346.311	0.100	20	30		ECEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000822224971	587649242	/nfs/dbraw/zinc/64/92/42/587649242.db2.gz	IARPACFENXGDAL-UHFFFAOYSA-N	-2	1	344.360	0.581	20	30		ECEDML
Cc1nn(C)c2ncc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)cc12	ZINC000737511170	578501870	/nfs/dbraw/zinc/50/18/70/578501870.db2.gz	LEQIPRUJYDEMAM-UHFFFAOYSA-N	-2	1	349.318	0.304	20	30		ECEDML
Cc1ccc(F)c(OCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000822240954	587649872	/nfs/dbraw/zinc/64/98/72/587649872.db2.gz	GJKOCGGKQJZVNW-UHFFFAOYSA-N	-2	1	342.294	0.927	20	30		ECEDML
Cc1nc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(C)s1	ZINC000822436404	587659399	/nfs/dbraw/zinc/65/93/99/587659399.db2.gz	LFNXWDKDUFMXLT-UHFFFAOYSA-N	-2	1	329.349	0.716	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@H]2CC(c3ccccc3)=NO2)nc1-c1nn[n-]n1	ZINC000822814532	587682100	/nfs/dbraw/zinc/68/21/00/587682100.db2.gz	IIEAUPXCLRSHNA-LLVKDONJSA-N	-2	1	349.314	0.593	20	30		ECEDML
CC#CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000297032154	437001362	/nfs/dbraw/zinc/00/13/62/437001362.db2.gz	TZUJMZSWZSBYDC-ZETCQYMHSA-N	-2	1	339.295	0.584	20	30		ECEDML
C=CCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000571946356	439545010	/nfs/dbraw/zinc/54/50/10/439545010.db2.gz	HXVHMYAHFHDHGT-QMMMGPOBSA-N	-2	1	332.338	0.509	20	30		ECEDML
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc([O-])cc(C#N)c2)s1	ZINC000614364196	439775019	/nfs/dbraw/zinc/77/50/19/439775019.db2.gz	SVCLKDPEUQQVRB-UHFFFAOYSA-N	-2	1	339.358	0.739	20	30		ECEDML
O=C([O-])COc1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1	ZINC000733204058	578333930	/nfs/dbraw/zinc/33/39/30/578333930.db2.gz	GALSDYKFRPGUJF-UHFFFAOYSA-N	-2	1	328.288	0.341	20	30		ECEDML
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000736451201	578429610	/nfs/dbraw/zinc/42/96/10/578429610.db2.gz	KLDJPLUSBHYPSL-LLVKDONJSA-N	-2	1	327.348	0.891	20	30		ECEDML
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814890243	587279730	/nfs/dbraw/zinc/27/97/30/587279730.db2.gz	RQZAHCJMBODXCK-SNVBAGLBSA-N	-2	1	346.343	0.449	20	30		ECEDML
CC(CCc1ccc(OCCC(=O)[O-])cc1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814889430	587279898	/nfs/dbraw/zinc/27/98/98/587279898.db2.gz	GTOLPBINWNPPKP-UHFFFAOYSA-N	-2	1	346.343	0.451	20	30		ECEDML
CCN(CC)C(=O)CCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000821175698	587577098	/nfs/dbraw/zinc/57/70/98/587577098.db2.gz	SVZAYXGUTDIYLK-UHFFFAOYSA-N	-2	1	331.340	0.049	20	30		ECEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nc1	ZINC000822832995	587682977	/nfs/dbraw/zinc/68/29/77/587682977.db2.gz	LRVKPIUKXSEUCW-UHFFFAOYSA-N	-2	1	328.317	0.329	20	30		ECEDML
CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000825180991	587921561	/nfs/dbraw/zinc/92/15/61/587921561.db2.gz	BMJSKHZEXXINLN-DTWKUNHWSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CCC(=O)NC2CCCC2)nc1-c1nn[n-]n1	ZINC000826382740	588036942	/nfs/dbraw/zinc/03/69/42/588036942.db2.gz	SDSURQKWXQQBFB-UHFFFAOYSA-N	-2	1	343.351	0.239	20	30		ECEDML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC000822623451	587670401	/nfs/dbraw/zinc/67/04/01/587670401.db2.gz	XNEIELGLRWGFTM-UHFFFAOYSA-N	-2	1	348.323	0.412	20	30		ECEDML
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826322151	588024694	/nfs/dbraw/zinc/02/46/94/588024694.db2.gz	AKUAWZANLQOPTE-UHFFFAOYSA-N	-2	1	330.333	0.571	20	30		ECEDML
C[C@H](CC#N)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000342980536	438097227	/nfs/dbraw/zinc/09/72/27/438097227.db2.gz	UPHUBFORIQIGGQ-MRVPVSSYSA-N	-2	1	335.382	0.778	20	30		ECEDML
C=CCOCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851702254	589416853	/nfs/dbraw/zinc/41/68/53/589416853.db2.gz	LKBZZNAJRXCYMJ-WCBMZHEXSA-N	-2	1	338.282	0.312	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])o1	ZINC000558473926	438812243	/nfs/dbraw/zinc/81/22/43/438812243.db2.gz	VZRPTUPIGNGLKJ-NSHDSACASA-N	-2	1	335.341	0.768	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])o1	ZINC000548769213	302325716	/nfs/dbraw/zinc/32/57/16/302325716.db2.gz	UWLOBFMDJHULBN-GFCCVEGCSA-N	-2	1	336.325	0.831	20	30		ECEDML
N#Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)C(=O)[O-])s1	ZINC000567211606	439124725	/nfs/dbraw/zinc/12/47/25/439124725.db2.gz	QBNWKACOTRKWHZ-LLVKDONJSA-N	-2	1	343.430	0.837	20	30		ECEDML
C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000736264294	578418424	/nfs/dbraw/zinc/41/84/24/578418424.db2.gz	VQRUYIKQMJBGTR-DTWKUNHWSA-N	-2	1	330.352	0.995	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1-c1nn[nH]n1	ZINC000822814943	587682270	/nfs/dbraw/zinc/68/22/70/587682270.db2.gz	LZMXLOQDNJAHOA-UHFFFAOYSA-N	-2	1	341.247	0.328	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1-c1nn[n-]n1	ZINC000822814943	587682272	/nfs/dbraw/zinc/68/22/72/587682272.db2.gz	LZMXLOQDNJAHOA-UHFFFAOYSA-N	-3	1	341.247	0.328	20	30		ECEDML
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1-c1nn[n-]n1	ZINC000826257057	588017487	/nfs/dbraw/zinc/01/74/87/588017487.db2.gz	LURNXOZBWYIYFC-UHFFFAOYSA-N	-2	1	344.360	0.879	20	30		ECEDML
O=C([O-])Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)nn1	ZINC000826461044	588053805	/nfs/dbraw/zinc/05/38/05/588053805.db2.gz	CSIGOVXAOOTIFI-UPHRSURJSA-N	-2	1	331.317	0.500	20	30		ECEDML
O=C([O-])C(F)(F)Oc1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1	ZINC000766483170	579088282	/nfs/dbraw/zinc/08/82/82/579088282.db2.gz	ULPUJYVQDJNAQQ-UHFFFAOYSA-N	-2	1	342.283	0.865	20	30		ECEDML
CCc1noc(CC)c1CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000821552982	587599790	/nfs/dbraw/zinc/59/97/90/587599790.db2.gz	CZJIPXVBPNGBKB-UHFFFAOYSA-N	-2	1	341.335	0.755	20	30		ECEDML
N#Cc1[n-]c(NC(=O)CCCOc2cccnc2)nc1-c1nn[n-]n1	ZINC000822814984	587682072	/nfs/dbraw/zinc/68/20/72/587682072.db2.gz	MKGNBQAMBNYSQC-UHFFFAOYSA-N	-2	1	339.319	0.654	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2ccc3c(n2)CCCC3)nc1-c1nn[n-]n1	ZINC000826382697	588036872	/nfs/dbraw/zinc/03/68/72/588036872.db2.gz	QUMGSHKZINNKLZ-UHFFFAOYSA-N	-2	1	335.331	0.988	20	30		ECEDML
Cc1cc(C(=O)N2CCSC[C@@H]2C#N)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000271708206	301111067	/nfs/dbraw/zinc/11/10/67/301111067.db2.gz	IYYKRVKMDIVXTF-QMMMGPOBSA-N	-2	1	331.357	0.826	20	30		ECEDML
N#Cc1[n-]c(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)nc1-c1nn[n-]n1	ZINC000822814533	587682173	/nfs/dbraw/zinc/68/21/73/587682173.db2.gz	IIEAUPXCLRSHNA-NSHDSACASA-N	-2	1	349.314	0.593	20	30		ECEDML
N#Cc1[n-]c(NC(=O)Cc2c(F)cccc2F)nc1-c1nn[n-]n1	ZINC000822814138	587682318	/nfs/dbraw/zinc/68/23/18/587682318.db2.gz	BNBRWBNTAQIMDY-UHFFFAOYSA-N	-2	1	330.258	0.921	20	30		ECEDML
N#Cc1[n-]c(NC(=O)c2cccc3[nH]c(=O)oc32)nc1-c1nn[n-]n1	ZINC000826382896	588037043	/nfs/dbraw/zinc/03/70/43/588037043.db2.gz	ZNJSOOUMXUOGGD-UHFFFAOYSA-N	-2	1	337.259	0.561	20	30		ECEDML