smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000287896009	376618419	/nfs/dbraw/zinc/61/84/19/376618419.db2.gz	RTVBACNBKXRLDI-VIFPVBQESA-N	-1	1	333.391	-0.289	20	30		EBEDMM
N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccncc2[O-])c1	ZINC000570371932	377237737	/nfs/dbraw/zinc/23/77/37/377237737.db2.gz	SQJMNATZPPHGAL-UHFFFAOYSA-N	-1	1	332.341	-0.002	20	30		EBEDMM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1nn[n-]n1	ZINC000609489116	378509746	/nfs/dbraw/zinc/50/97/46/378509746.db2.gz	MVSLPTFREGACLG-UHFFFAOYSA-N	-1	1	325.336	-0.020	20	30		EBEDMM
C=CCCOCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000339893763	379081228	/nfs/dbraw/zinc/08/12/28/379081228.db2.gz	ZYWBQFXZVRKJIH-UHFFFAOYSA-N	-1	1	345.377	-0.634	20	30		EBEDMM
C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491569545	379605490	/nfs/dbraw/zinc/60/54/90/379605490.db2.gz	WLBLLICBDRHSNE-UHFFFAOYSA-N	-1	1	346.434	-0.031	20	30		EBEDMM
C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1	ZINC000357946572	380225811	/nfs/dbraw/zinc/22/58/11/380225811.db2.gz	UVNOHTVKISLTOG-UHFFFAOYSA-N	-1	1	327.362	-0.166	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCOCC2)co1	ZINC000330446965	380825264	/nfs/dbraw/zinc/82/52/64/380825264.db2.gz	HQUPVCSBNGAFPF-UHFFFAOYSA-N	-1	1	345.377	-0.259	20	30		EBEDMM
N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCCC1	ZINC000345470572	381040250	/nfs/dbraw/zinc/04/02/50/381040250.db2.gz	RBIIFFQWQXBQHA-UHFFFAOYSA-N	-1	1	340.361	-0.391	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)o1	ZINC000344523232	156236834	/nfs/dbraw/zinc/23/68/34/156236834.db2.gz	WRFZDKVVJZFROW-ISVAXAHUSA-N	-1	1	338.345	-0.192	20	30		EBEDMM
Cc1nc([N-]S(=O)(=O)CCCCS(N)(=O)=O)ccc1C#N	ZINC000349603371	420558907	/nfs/dbraw/zinc/55/89/07/420558907.db2.gz	JPOOZBLMZDMJSE-UHFFFAOYSA-N	-1	1	332.407	0.072	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000737704073	582647453	/nfs/dbraw/zinc/64/74/53/582647453.db2.gz	CYKNGWNYIDYWHE-YFKPBYRVSA-N	-1	1	341.257	-0.147	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)C2(C(=O)NC3CC3)CCC2)nc1-c1nn[nH]n1	ZINC000737706422	582671647	/nfs/dbraw/zinc/67/16/47/582671647.db2.gz	XIHSXBKIFPXPAS-UHFFFAOYSA-N	-1	1	341.335	-0.151	20	30		EBEDMM
CON=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000774328833	583383276	/nfs/dbraw/zinc/38/32/76/583383276.db2.gz	DUQKXHIEFPBNQK-UHFFFAOYSA-N	-1	1	343.361	-0.016	20	30		EBEDMM
C#C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CCCO1	ZINC000806986636	583656462	/nfs/dbraw/zinc/65/64/62/583656462.db2.gz	IXSBMEPMEQWXBD-AAEUAGOBSA-N	-1	1	327.344	-0.423	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000820011061	583764864	/nfs/dbraw/zinc/76/48/64/583764864.db2.gz	HENUHRZLDAEBDP-LLVKDONJSA-N	-1	1	344.383	-0.849	20	30		EBEDMM
CN1CCN(C[C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)CC1	ZINC000820626559	583776430	/nfs/dbraw/zinc/77/64/30/583776430.db2.gz	QBVKKCQMOMTGAV-XJKSGUPXSA-N	-1	1	338.408	-0.534	20	30		EBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C#N	ZINC000822590065	583813128	/nfs/dbraw/zinc/81/31/28/583813128.db2.gz	HFJVPGXMXAOZRL-UHFFFAOYSA-N	-1	1	341.381	-0.285	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000823932047	583839059	/nfs/dbraw/zinc/83/90/59/583839059.db2.gz	LSSFAPXIHJAOOO-UHFFFAOYSA-N	-1	1	340.369	-0.678	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000823932047	583839060	/nfs/dbraw/zinc/83/90/60/583839060.db2.gz	LSSFAPXIHJAOOO-UHFFFAOYSA-N	-1	1	340.369	-0.678	20	30		EBEDMM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)n1cnc(C#N)n1	ZINC000843013841	584069810	/nfs/dbraw/zinc/06/98/10/584069810.db2.gz	KTRAJERRVVFRFG-SNVBAGLBSA-N	-1	1	340.409	-0.359	20	30		EBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853324972	584226327	/nfs/dbraw/zinc/22/63/27/584226327.db2.gz	AHZXDDMHHFREEC-VIFPVBQESA-N	-1	1	339.352	-0.400	20	30		EBEDMM
CCc1cc(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n[nH]1	ZINC000858237255	584285403	/nfs/dbraw/zinc/28/54/03/584285403.db2.gz	IAYLJZWAMCBPEC-UHFFFAOYSA-N	-1	1	343.347	-0.127	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC000939276095	652878976	/nfs/dbraw/zinc/87/89/76/652878976.db2.gz	BOWJOQDCHWXVHV-NXEZZACHSA-N	-1	1	332.368	-0.462	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000941929691	652954035	/nfs/dbraw/zinc/95/40/35/652954035.db2.gz	OTUCVASLFHKVNM-JQWIXIFHSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H](C)C#N	ZINC000956188656	720394818	/nfs/dbraw/zinc/39/48/18/720394818.db2.gz	JYRZORFYOYOZRI-IUCAKERBSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)C#N)C1	ZINC000957219923	722176269	/nfs/dbraw/zinc/17/62/69/722176269.db2.gz	PJMPKBJGDOQGLX-VXJOIVPMSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000962017240	723148612	/nfs/dbraw/zinc/14/86/12/723148612.db2.gz	NIGQGAVFBZGCBN-OBORUHMCSA-N	-1	1	347.419	-0.364	20	30		EBEDMM
C#CCN[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C(F)(F)F	ZINC000998284266	726483506	/nfs/dbraw/zinc/48/35/06/726483506.db2.gz	XUPSUVISTZPDAU-YUMQZZPRSA-N	-1	1	345.281	-0.101	20	30		EBEDMM
C=C1CC(C)(C(=O)NC2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC000999277106	726512985	/nfs/dbraw/zinc/51/29/85/726512985.db2.gz	DKZLWGYXCAAOJS-UHFFFAOYSA-N	-1	1	346.387	-0.390	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001007134770	726789470	/nfs/dbraw/zinc/78/94/70/726789470.db2.gz	QKFCYNPFAARFKO-LLVKDONJSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001007138957	726789512	/nfs/dbraw/zinc/78/95/12/726789512.db2.gz	GAAOZEXGNPZKBH-LLVKDONJSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051834026	735421645	/nfs/dbraw/zinc/42/16/45/735421645.db2.gz	DKUFXFJFSALOCN-TUAOUCFPSA-N	-1	1	337.380	-0.582	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)c1	ZINC001023488604	729702492	/nfs/dbraw/zinc/70/24/92/729702492.db2.gz	PBDZAOJZOQCIKE-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]12	ZINC001026400618	730143603	/nfs/dbraw/zinc/14/36/03/730143603.db2.gz	MKOBDCJDUYNDPN-GMTAPVOTSA-N	-1	1	327.348	-0.619	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001028143059	730271063	/nfs/dbraw/zinc/27/10/63/730271063.db2.gz	XDUKOJNQCSVUJN-XQQFMLRXSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#CCOc1ncccc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031275799	730697875	/nfs/dbraw/zinc/69/78/75/730697875.db2.gz	ANRJVLYVJAUTOU-UHFFFAOYSA-N	-1	1	342.359	-0.870	20	30		EBEDMM
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032990541	730955264	/nfs/dbraw/zinc/95/52/64/730955264.db2.gz	FVLIJYOFTRKQHZ-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033021600	730958321	/nfs/dbraw/zinc/95/83/21/730958321.db2.gz	ITBIIQVYEJJAMK-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C#CCCN1CC[C@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001033510902	731034151	/nfs/dbraw/zinc/03/41/51/731034151.db2.gz	ZISJNDBSLQKPIN-LBPRGKRZSA-N	-1	1	328.376	-0.373	20	30		EBEDMM
C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001039400250	731432427	/nfs/dbraw/zinc/43/24/27/731432427.db2.gz	QLZRDQQJLLBGGM-NEPJUHHUSA-N	-1	1	331.376	-0.086	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039722573	731506663	/nfs/dbraw/zinc/50/66/63/731506663.db2.gz	XDAIMYAJSXEGFW-PXAZEXFGSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
N#CCN1CCC[C@@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC001040447612	731737533	/nfs/dbraw/zinc/73/75/33/731737533.db2.gz	RWYIYYBPAYUZST-QGZVFWFLSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001061523100	738582638	/nfs/dbraw/zinc/58/26/38/738582638.db2.gz	ISMQQJLJYAMNKS-STQMWFEESA-N	-1	1	347.371	-0.217	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc1=O	ZINC001042058323	732290172	/nfs/dbraw/zinc/29/01/72/732290172.db2.gz	PTRWUQMOOBNGGA-KBPBESRZSA-N	-1	1	329.404	-0.055	20	30		EBEDMM
C=C(C)CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051209689	735100092	/nfs/dbraw/zinc/10/00/92/735100092.db2.gz	MAQVGVHXUURBNK-LBPRGKRZSA-N	-1	1	346.391	-0.186	20	30		EBEDMM
N#Cc1cc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001051563250	735234986	/nfs/dbraw/zinc/23/49/86/735234986.db2.gz	QZHAUCNXPNCMAA-NSHDSACASA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C=CCN1CC2(C1)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CCO2	ZINC001053507428	735908542	/nfs/dbraw/zinc/90/85/42/735908542.db2.gz	MXLJRARBHQNYEK-UHFFFAOYSA-N	-1	1	330.348	-0.870	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@@H]2COC3(CN(Cc4nc(=O)n(C)[n-]4)C3)C2)C1	ZINC001053919062	736095112	/nfs/dbraw/zinc/09/51/12/736095112.db2.gz	CJZHHYRVMONJEA-LBPRGKRZSA-N	-1	1	347.419	-0.076	20	30		EBEDMM
C=CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982033	736132329	/nfs/dbraw/zinc/13/23/29/736132329.db2.gz	BMRKBFQXTZEWIX-SECBINFHSA-N	-1	1	336.348	-0.345	20	30		EBEDMM
C=C(C)CN1CC2(C1)C[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981772	736132477	/nfs/dbraw/zinc/13/24/77/736132477.db2.gz	UWIDCTIJNYBGQN-NSHDSACASA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057410116	737229696	/nfs/dbraw/zinc/22/96/96/737229696.db2.gz	CSHHKQMRHIFRAI-MRXNPFEDSA-N	-1	1	337.376	-0.335	20	30		EBEDMM
N#CCSCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057410417	737230831	/nfs/dbraw/zinc/23/08/31/737230831.db2.gz	QVCKQQRKQVCAGG-UHFFFAOYSA-N	-1	1	338.389	-0.405	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057413434	737233938	/nfs/dbraw/zinc/23/39/38/737233938.db2.gz	VTDJWRJPZMKLOV-OCCSQVGLSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C=CCN1CC[C@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2	ZINC001071199217	741084892	/nfs/dbraw/zinc/08/48/92/741084892.db2.gz	KJXAQEQEPHBXIT-PXAZEXFGSA-N	-1	1	348.403	-0.023	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@H](C)O2	ZINC001071198700	741084984	/nfs/dbraw/zinc/08/49/84/741084984.db2.gz	CKFLLWXHRBJKAT-YVEFUNNKSA-N	-1	1	346.387	-0.576	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001071936672	741252916	/nfs/dbraw/zinc/25/29/16/741252916.db2.gz	RVZOFYUMFLFJGT-NWDGAFQWSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1	ZINC001074383035	741921868	/nfs/dbraw/zinc/92/18/68/741921868.db2.gz	USOYLNGSBJGHES-NXEZZACHSA-N	-1	1	349.347	-0.665	20	30		EBEDMM
C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001076424086	742462990	/nfs/dbraw/zinc/46/29/90/742462990.db2.gz	FMRVYDJAHVAGEB-JTQLQIEISA-N	-1	1	342.359	-0.544	20	30		EBEDMM
C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001077320429	742886886	/nfs/dbraw/zinc/88/68/86/742886886.db2.gz	BWPKDBJGFXZYIU-HUUCEWRRSA-N	-1	1	334.420	-0.441	20	30		EBEDMM
Cn1[n-]c(CN2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)nc1=O	ZINC000981001517	806055038	/nfs/dbraw/zinc/05/50/38/806055038.db2.gz	NCNYLRHZLYUWNB-UHFFFAOYSA-N	-1	1	329.364	-0.344	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000978041083	804629297	/nfs/dbraw/zinc/62/92/97/804629297.db2.gz	ABGVJRMSXWNMHI-VHSXEESVSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000979279239	805257993	/nfs/dbraw/zinc/25/79/93/805257993.db2.gz	USDIYOUAFKUAHV-SKDRFNHKSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001219503893	810724945	/nfs/dbraw/zinc/72/49/45/810724945.db2.gz	JPRSZWDCIBGROU-WZRBSPASSA-N	-1	1	334.376	-0.747	20	30		EBEDMM
N#CCN1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@@H]21	ZINC001036843286	811284390	/nfs/dbraw/zinc/28/43/90/811284390.db2.gz	CXIBKCGQKCUDAY-STQMWFEESA-N	-1	1	331.376	-0.627	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2[C@H](CCN2CC#N)C1	ZINC001036870386	811297456	/nfs/dbraw/zinc/29/74/56/811297456.db2.gz	UDONGLCTDGJPLE-ZJUUUORDSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001080472419	812035744	/nfs/dbraw/zinc/03/57/44/812035744.db2.gz	URBISNPHIVXVIJ-LPWJVIDDSA-N	-1	1	335.408	-0.364	20	30		EBEDMM
C#CCOC[C@@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001251857633	812637879	/nfs/dbraw/zinc/63/78/79/812637879.db2.gz	HNNGVNLZSVVKJM-AWEZNQCLSA-N	-1	1	334.438	-0.717	20	30		EBEDMM
C=C[C@H](O)CNc1ncnc2c1ncn2CCOC[P@](=O)([O-])O	ZINC001253568991	812681943	/nfs/dbraw/zinc/68/19/43/812681943.db2.gz	PNHXZWJNTWVCEE-VIFPVBQESA-N	-1	1	343.280	-0.063	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001268752262	814378648	/nfs/dbraw/zinc/37/86/48/814378648.db2.gz	YGEVHCJPGFUFFM-NSHDSACASA-N	-1	1	348.411	-0.474	20	30		EBEDMM
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc[nH]c2=O)C1	ZINC001269329727	814639521	/nfs/dbraw/zinc/63/95/21/814639521.db2.gz	AOLVMAKOXXALQD-QWHCGFSZSA-N	-1	1	345.403	-0.144	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc[nH]c2=O)C1	ZINC001269329726	814639644	/nfs/dbraw/zinc/63/96/44/814639644.db2.gz	AOLVMAKOXXALQD-OLZOCXBDSA-N	-1	1	345.403	-0.144	20	30		EBEDMM
C=C(C)CN1C(=O)C[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269577812	814735707	/nfs/dbraw/zinc/73/57/07/814735707.db2.gz	OGXRWWMXPZKALW-HNNXBMFYSA-N	-1	1	332.364	-0.314	20	30		EBEDMM
C#CCN1CC2(CN(C(=O)c3[n-][nH]c4cc(=O)ccc3-4)C2)OCC1=O	ZINC001270389920	815763869	/nfs/dbraw/zinc/76/38/69/815763869.db2.gz	YCTVLGZNJFMABU-UHFFFAOYSA-N	-1	1	340.339	-0.045	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001270483979	815792502	/nfs/dbraw/zinc/79/25/02/815792502.db2.gz	NAFGWNVTEKHSNA-KGLIPLIRSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001085932997	816182433	/nfs/dbraw/zinc/18/24/33/816182433.db2.gz	NDRICLWTGDMPEZ-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001276043478	817347403	/nfs/dbraw/zinc/34/74/03/817347403.db2.gz	DMOCKZAMCLTIHG-GFCCVEGCSA-N	-1	1	346.387	-0.908	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001090629550	817597635	/nfs/dbraw/zinc/59/76/35/817597635.db2.gz	HJJCKYJVGDVFDY-OLZOCXBDSA-N	-1	1	329.360	-0.789	20	30		EBEDMM
Cc1nc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1C#N	ZINC001093739006	818091882	/nfs/dbraw/zinc/09/18/82/818091882.db2.gz	KJXPOJQZLYBDOI-UHFFFAOYSA-N	-1	1	342.359	-0.270	20	30		EBEDMM
Cc1ccc(C#N)c(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001093739098	818092374	/nfs/dbraw/zinc/09/23/74/818092374.db2.gz	QEBKMOHZHAGWAS-UHFFFAOYSA-N	-1	1	342.359	-0.270	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1nc(C)cc(C#N)n1	ZINC001093760790	818096017	/nfs/dbraw/zinc/09/60/17/818096017.db2.gz	GRCYUDZJQZEHDA-UHFFFAOYSA-N	-1	1	345.319	-0.292	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001281659106	818251221	/nfs/dbraw/zinc/25/12/21/818251221.db2.gz	MYATZFINSVLVFM-SIVJFFJCSA-N	-1	1	335.360	-0.584	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)CCn2cc[n-]c(=O)c2=O)nc1	ZINC001094499394	818277197	/nfs/dbraw/zinc/27/71/97/818277197.db2.gz	YWACNMCKTXYRCH-UHFFFAOYSA-N	-1	1	342.359	-0.188	20	30		EBEDMM
N#Cc1cnc(NCCCNC(=O)c2cc(=O)n3[n-]cnc3n2)cn1	ZINC001094501851	818278122	/nfs/dbraw/zinc/27/81/22/818278122.db2.gz	CQQHATDLSAKTRN-UHFFFAOYSA-N	-1	1	339.319	-0.689	20	30		EBEDMM
CC#CCN1CC(N2C[C@H](NC(=O)c3ncccc3[O-])CC2=O)C1	ZINC001094732147	818382948	/nfs/dbraw/zinc/38/29/48/818382948.db2.gz	YFSUNYQPVZRNKD-GFCCVEGCSA-N	-1	1	328.372	-0.175	20	30		EBEDMM
N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001095014562	818547764	/nfs/dbraw/zinc/54/77/64/818547764.db2.gz	KCPOMMNASAXDTH-XQQFMLRXSA-N	-1	1	331.376	-0.581	20	30		EBEDMM
C#CCOCCC(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001282964026	818551710	/nfs/dbraw/zinc/55/17/10/818551710.db2.gz	BJXQERJGNCNOKA-UHFFFAOYSA-N	-1	1	347.419	-0.427	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)nc1=O	ZINC001095281822	818595142	/nfs/dbraw/zinc/59/51/42/818595142.db2.gz	HKQUZYANYYFXKA-MDZLAQPJSA-N	-1	1	341.375	-0.157	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)C#CC(C)C)C1	ZINC001284022871	819070199	/nfs/dbraw/zinc/07/01/99/819070199.db2.gz	ANOUXKBBYYXNAW-JTQLQIEISA-N	-1	1	348.359	-0.114	20	30		EBEDMM
C#CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F	ZINC001099274824	819444126	/nfs/dbraw/zinc/44/41/26/819444126.db2.gz	XZESXFJOCNLRPI-RNFRBKRXSA-N	-1	1	331.254	-0.492	20	30		EBEDMM
CN(CCNc1cnc(C#N)cn1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686991	820878389	/nfs/dbraw/zinc/87/83/89/820878389.db2.gz	SOKMMEJYMGOCCG-UHFFFAOYSA-N	-1	1	343.347	-0.841	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001294190994	820895722	/nfs/dbraw/zinc/89/57/22/820895722.db2.gz	TWMIVRNNGNDXLS-NSHDSACASA-N	-1	1	335.364	-0.949	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001294283419	820915090	/nfs/dbraw/zinc/91/50/90/820915090.db2.gz	DHCQFAWVLVALBG-LLVKDONJSA-N	-1	1	335.364	-0.949	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)NC(=O)C#CC1CC1	ZINC001295573556	821126905	/nfs/dbraw/zinc/12/69/05/821126905.db2.gz	LBAUOVJBIPNLQV-QMMMGPOBSA-N	-1	1	334.332	-0.456	20	30		EBEDMM
C#CCNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001295705217	821154077	/nfs/dbraw/zinc/15/40/77/821154077.db2.gz	JKKBTZTXIDHMTD-GFCCVEGCSA-N	-1	1	344.371	-0.495	20	30		EBEDMM
C#CCNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001295705226	821154575	/nfs/dbraw/zinc/15/45/75/821154575.db2.gz	JKKBTZTXIDHMTD-LBPRGKRZSA-N	-1	1	344.371	-0.495	20	30		EBEDMM
C=CCCCC(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297096901	821321397	/nfs/dbraw/zinc/32/13/97/821321397.db2.gz	KHZQSAHTLLCFSV-UHFFFAOYSA-N	-1	1	334.376	-0.390	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001299013902	821625699	/nfs/dbraw/zinc/62/56/99/821625699.db2.gz	UGMDSLSJROUBCO-NSHDSACASA-N	-1	1	342.359	-0.448	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1	ZINC001299341980	821679679	/nfs/dbraw/zinc/67/96/79/821679679.db2.gz	JPNCNRJMGHMPMH-UHFFFAOYSA-N	-1	1	330.344	-0.791	20	30		EBEDMM
C=CCNS(=O)(=O)c1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1	ZINC001318296558	822288657	/nfs/dbraw/zinc/28/86/57/822288657.db2.gz	FXPCZEAQICOYQK-UHFFFAOYSA-N	-1	1	338.345	-0.653	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)nc1=O	ZINC001107932681	824046260	/nfs/dbraw/zinc/04/62/60/824046260.db2.gz	RARRHASZKVTPMB-MRXNPFEDSA-N	-1	1	333.392	-0.771	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001107934859	824046287	/nfs/dbraw/zinc/04/62/87/824046287.db2.gz	NKVYHXAODUSJDT-QGZVFWFLSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
N#CCNC[C@]12CCC[C@H]1CN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001112546574	825456077	/nfs/dbraw/zinc/45/60/77/825456077.db2.gz	RROPZOXEXOCSCJ-GUYCJALGSA-N	-1	1	345.403	-0.331	20	30		EBEDMM
CS(=O)(=O)c1cccc(CC(=O)N([O-])C(=N)c2nonc2N)c1	ZINC001179999515	833031472	/nfs/dbraw/zinc/03/14/72/833031472.db2.gz	ZALIZANRXORTIT-UHFFFAOYSA-N	-1	1	339.333	-0.159	20	30		EBEDMM
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114627071	826301833	/nfs/dbraw/zinc/30/18/33/826301833.db2.gz	QAAHUJQTMCWABZ-RKCSVJPLSA-N	-1	1	349.435	-0.116	20	30		EBEDMM
CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ncccc1[O-]	ZINC001124329802	827815830	/nfs/dbraw/zinc/81/58/30/827815830.db2.gz	SDLUVMKVCBKBBW-NSHDSACASA-N	-1	1	328.332	-0.006	20	30		EBEDMM
C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131826291	829234203	/nfs/dbraw/zinc/23/42/03/829234203.db2.gz	OQUKJJKDZPUOLW-QWRGUYRKSA-N	-1	1	338.437	-0.166	20	30		EBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001186103877	833388900	/nfs/dbraw/zinc/38/89/00/833388900.db2.gz	OCJCYIIUFOIQNG-VXGBXAGGSA-N	-1	1	336.396	-0.328	20	30		EBEDMM
COCC#CCN1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC001147851711	830421470	/nfs/dbraw/zinc/42/14/70/830421470.db2.gz	HCSZBDWSHLEEMF-UHFFFAOYSA-N	-1	1	333.348	-0.920	20	30		EBEDMM
CC#CCN1CCCO[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001149936367	830785158	/nfs/dbraw/zinc/78/51/58/830785158.db2.gz	CZIWVHIPZAGESY-LBPRGKRZSA-N	-1	1	349.391	-0.554	20	30		EBEDMM
C=C[C@@H]1C[C@]1(Nc1nnc(Cl)nn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170742834	832523689	/nfs/dbraw/zinc/52/36/89/832523689.db2.gz	RJIHPQDEVLVWKM-KSBSHMNSSA-N	-1	1	344.784	-0.115	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)Cn1cc(Br)cn1	ZINC001176986942	832726171	/nfs/dbraw/zinc/72/61/71/832726171.db2.gz	KOWNDKRPPVITOH-UHFFFAOYSA-N	-1	1	330.102	-0.146	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001189672796	834177430	/nfs/dbraw/zinc/17/74/30/834177430.db2.gz	FUVAGCFHGRPRBT-NWDGAFQWSA-N	-1	1	333.392	-0.292	20	30		EBEDMM
CS(=O)(=O)c1cccc(C(=O)N([O-])C(=N)c2nonc2N)n1	ZINC001196405197	835411320	/nfs/dbraw/zinc/41/13/20/835411320.db2.gz	NWTHOJFZMPXQML-UHFFFAOYSA-N	-1	1	326.294	-0.693	20	30		EBEDMM
N#CCN[C@H]1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C12CCC2	ZINC001203500118	836438845	/nfs/dbraw/zinc/43/88/45/836438845.db2.gz	NOBLBCWZFOSNNP-RYUDHWBXSA-N	-1	1	331.376	-0.533	20	30		EBEDMM
CC(C)C(C#N)=CN[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001320026355	838212362	/nfs/dbraw/zinc/21/23/62/838212362.db2.gz	FPVHQTDXGVXYIS-SECBINFHSA-N	-1	1	327.366	-0.856	20	30		EBEDMM
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O	ZINC001323710529	839506110	/nfs/dbraw/zinc/50/61/10/839506110.db2.gz	HYEFSMNOCKECBY-UHFFFAOYSA-N	-1	1	332.320	-0.364	20	30		EBEDMM
C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325122788	839789322	/nfs/dbraw/zinc/78/93/22/839789322.db2.gz	JIABPNWMBTYSLO-WBMJQRKESA-N	-1	1	337.424	-0.236	20	30		EBEDMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC#CCO	ZINC001327869050	840537827	/nfs/dbraw/zinc/53/78/27/840537827.db2.gz	QLDJXRFVUBNMMV-UHFFFAOYSA-N	-1	1	334.376	-0.628	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001328240243	840630485	/nfs/dbraw/zinc/63/04/85/840630485.db2.gz	PMQRFABCSZBZMZ-PWSUYJOCSA-N	-1	1	333.392	-0.244	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573285441	946777825	/nfs/dbraw/zinc/77/78/25/946777825.db2.gz	ICNJCESOYWHWBZ-MNOVXSKESA-N	-1	1	342.363	-0.870	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573287627	946842588	/nfs/dbraw/zinc/84/25/88/946842588.db2.gz	OJKGZKHUXVVWOQ-QWRGUYRKSA-N	-1	1	344.379	-0.576	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573287628	946842674	/nfs/dbraw/zinc/84/26/74/946842674.db2.gz	OJKGZKHUXVVWOQ-WDEREUQCSA-N	-1	1	344.379	-0.576	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566680	947029660	/nfs/dbraw/zinc/02/96/60/947029660.db2.gz	FJBHJZAQBGQPRE-NXEZZACHSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573567599	947048881	/nfs/dbraw/zinc/04/88/81/947048881.db2.gz	PHKYLOMFUPNGMO-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573567599	947048892	/nfs/dbraw/zinc/04/88/92/947048892.db2.gz	PHKYLOMFUPNGMO-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573570352	947085333	/nfs/dbraw/zinc/08/53/33/947085333.db2.gz	MXBUVXOXYAVZQH-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573570352	947085341	/nfs/dbraw/zinc/08/53/41/947085341.db2.gz	MXBUVXOXYAVZQH-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573572305	947110913	/nfs/dbraw/zinc/11/09/13/947110913.db2.gz	GUNLHEGQKAVNIA-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573447	947121602	/nfs/dbraw/zinc/12/16/02/947121602.db2.gz	NGZWCSSCHCXODR-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573447	947121613	/nfs/dbraw/zinc/12/16/13/947121613.db2.gz	NGZWCSSCHCXODR-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573574334	947129038	/nfs/dbraw/zinc/12/90/38/947129038.db2.gz	RHHKGGFYVIGBFW-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573574334	947129044	/nfs/dbraw/zinc/12/90/44/947129044.db2.gz	RHHKGGFYVIGBFW-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573575912	947146137	/nfs/dbraw/zinc/14/61/37/947146137.db2.gz	BSIOLPGFRAMLBZ-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573309051	947191526	/nfs/dbraw/zinc/19/15/26/947191526.db2.gz	CDBFNCQCKIYQSR-BONVTDFDSA-N	-1	1	344.379	-0.003	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573309051	947191534	/nfs/dbraw/zinc/19/15/34/947191534.db2.gz	CDBFNCQCKIYQSR-BONVTDFDSA-N	-1	1	344.379	-0.003	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573583463	947204611	/nfs/dbraw/zinc/20/46/11/947204611.db2.gz	MGUKXQMJIRBGFJ-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573583463	947204615	/nfs/dbraw/zinc/20/46/15/947204615.db2.gz	MGUKXQMJIRBGFJ-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573309914	947213186	/nfs/dbraw/zinc/21/31/86/947213186.db2.gz	PTAAACVAYUYKDW-BMIGLBTASA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573309914	947213194	/nfs/dbraw/zinc/21/31/94/947213194.db2.gz	PTAAACVAYUYKDW-BMIGLBTASA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C[C@@H](C#N)CN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573585082	947242594	/nfs/dbraw/zinc/24/25/94/947242594.db2.gz	CHFGPDWLBBUQQO-QMMMGPOBSA-N	-1	1	344.335	-0.720	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C	ZINC001573585031	947243561	/nfs/dbraw/zinc/24/35/61/947243561.db2.gz	IZMCNAKFRSLNDE-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C	ZINC001573585031	947243572	/nfs/dbraw/zinc/24/35/72/947243572.db2.gz	IZMCNAKFRSLNDE-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573587356	947307094	/nfs/dbraw/zinc/30/70/94/947307094.db2.gz	ZQQIEMNKXRRZSD-WYOJIJJFSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C=CCOCC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573343354	947557164	/nfs/dbraw/zinc/55/71/64/947557164.db2.gz	NHNBRBIOSOZKGD-JTQLQIEISA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C=CCOCC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573343354	947557168	/nfs/dbraw/zinc/55/71/68/947557168.db2.gz	NHNBRBIOSOZKGD-JTQLQIEISA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1	ZINC001573654460	947964860	/nfs/dbraw/zinc/96/48/60/947964860.db2.gz	RDBPHSHISSLSSB-WDSKDSINSA-N	-1	1	329.246	-0.020	20	30		EBEDMM
CC(=O)N1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1	ZINC001573433386	948198734	/nfs/dbraw/zinc/19/87/34/948198734.db2.gz	KMMSKERNJONREP-UHFFFAOYSA-N	-1	1	329.324	-0.342	20	30		EBEDMM
C[C@H]([C@@H](C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)S(C)(=O)=O	ZINC001573755718	948778477	/nfs/dbraw/zinc/77/84/77/948778477.db2.gz	SVNCXXDNEPXSDM-PHDIDXHHSA-N	-1	1	338.353	-0.531	20	30		EBEDMM
CC(C)(C)C#CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573793542	949301564	/nfs/dbraw/zinc/30/15/64/949301564.db2.gz	UFPFLLRALKDNLM-JTQLQIEISA-N	-1	1	344.379	-0.405	20	30		EBEDMM
CC(C)(C)C#CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573793542	949301585	/nfs/dbraw/zinc/30/15/85/949301585.db2.gz	UFPFLLRALKDNLM-JTQLQIEISA-N	-1	1	344.379	-0.405	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001574473271	949565904	/nfs/dbraw/zinc/56/59/04/949565904.db2.gz	ZTWUEIKWJPGAFC-SSDOTTSWSA-N	-1	1	342.410	-0.108	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001574473271	949565922	/nfs/dbraw/zinc/56/59/22/949565922.db2.gz	ZTWUEIKWJPGAFC-SSDOTTSWSA-N	-1	1	342.410	-0.108	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001588471354	983505731	/nfs/dbraw/zinc/50/57/31/983505731.db2.gz	JYPLRHVIBRYZOJ-ZIAGYGMSSA-N	-1	1	333.388	-0.621	20	30		EBEDMM
C=C(C)C[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	ZINC001588553779	983628436	/nfs/dbraw/zinc/62/84/36/983628436.db2.gz	SEQBAYRVADXDMV-ZDUSSCGKSA-N	-1	1	333.454	-0.037	20	30		EBEDMM
CCN(CCC#N)C(=O)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001596299430	983723913	/nfs/dbraw/zinc/72/39/13/983723913.db2.gz	GZHPLZCDXZQYJW-INIZCTEOSA-N	-1	1	338.408	-0.390	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@@H](C)CC(=O)[O-])c1ccn[nH]1	ZINC001596628122	984605245	/nfs/dbraw/zinc/60/52/45/984605245.db2.gz	AHCLGOCSSJDFDR-QMMMGPOBSA-N	-1	1	326.309	-0.327	20	30		EBEDMM
C[C@@H](C(=O)N(C)CCC#N)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001589339973	986244253	/nfs/dbraw/zinc/24/42/53/986244253.db2.gz	PSGSOVBIDGIYMZ-XJKSGUPXSA-N	-1	1	338.408	-0.392	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001482660814	1126247450	/nfs/dbraw/zinc/24/74/50/1126247450.db2.gz	FTRBGKPAASVGIL-CHWSQXEVSA-N	-1	1	333.392	-0.027	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H]1CCC2(CN(Cc3nc(=O)n(C)[n-]3)C2)O1	ZINC001484781823	1126632510	/nfs/dbraw/zinc/63/25/10/1126632510.db2.gz	JHQVMVNVBAOCBS-ZDUSSCGKSA-N	-1	1	347.419	-0.239	20	30		EBEDMM
C#CCN1CCC(CO)(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1	ZINC001485021269	1126663921	/nfs/dbraw/zinc/66/39/21/1126663921.db2.gz	YAVMMJGZRMUQPV-UHFFFAOYSA-N	-1	1	348.447	-0.049	20	30		EBEDMM
CC(C)C#CC(=O)N(C)[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001486928375	1127340521	/nfs/dbraw/zinc/34/05/21/1127340521.db2.gz	DKHDSYOUBIXDOG-CYBMUJFWSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001489781902	1129068363	/nfs/dbraw/zinc/06/83/63/1129068363.db2.gz	ZYKKCDJQZMQOBC-VHSXEESVSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1	ZINC001412485253	1129539042	/nfs/dbraw/zinc/53/90/42/1129539042.db2.gz	DOXWAYMIPPNDKO-LBPRGKRZSA-N	-1	1	325.332	-0.183	20	30		EBEDMM
N#Cc1cn(CCNC(=O)Cc2n[nH]c3c2CCCC3)c(=O)[n-]c1=O	ZINC001413310077	1130004418	/nfs/dbraw/zinc/00/44/18/1130004418.db2.gz	SIZUETMOIRNMNN-UHFFFAOYSA-N	-1	1	342.359	-0.219	20	30		EBEDMM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCN1CC(C)(C)O	ZINC001362370361	1131570155	/nfs/dbraw/zinc/57/01/55/1131570155.db2.gz	ZVYTUFUBYWZVCZ-NSHDSACASA-N	-1	1	349.391	-0.876	20	30		EBEDMM
N#Cc1cn(CC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c(=O)[n-]c1=O	ZINC001363603219	1132030356	/nfs/dbraw/zinc/03/03/56/1132030356.db2.gz	LBBKRIRDQQTFON-NEPJUHHUSA-N	-1	1	349.416	-0.483	20	30		EBEDMM
CN1CC[C@H](N2CCC(Nc3[n-]c(=O)n(C)c(=O)c3C#N)CC2)C1=O	ZINC001364206388	1132236267	/nfs/dbraw/zinc/23/62/67/1132236267.db2.gz	XBLKVBHXKBZEMM-LBPRGKRZSA-N	-1	1	346.391	-0.948	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)[n-]n1	ZINC001365000003	1132516802	/nfs/dbraw/zinc/51/68/02/1132516802.db2.gz	FFJNHVPBHXMQAO-UHFFFAOYSA-N	-1	1	328.350	-0.205	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)n[n-]1	ZINC001365000003	1132516810	/nfs/dbraw/zinc/51/68/10/1132516810.db2.gz	FFJNHVPBHXMQAO-UHFFFAOYSA-N	-1	1	328.350	-0.205	20	30		EBEDMM
CN(C)S(=O)(=O)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1	ZINC000589168728	377401302	/nfs/dbraw/zinc/40/13/02/377401302.db2.gz	VBEHTMSENNIBAN-UHFFFAOYSA-N	-1	1	338.389	-0.172	20	30		EBEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c1	ZINC000574054067	379223230	/nfs/dbraw/zinc/22/32/30/379223230.db2.gz	SKMABHWAQJVXOW-ZDUSSCGKSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1	ZINC000490740250	379558814	/nfs/dbraw/zinc/55/88/14/379558814.db2.gz	NGAQOFVOKRFJOZ-UHFFFAOYSA-N	-1	1	346.372	-0.470	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140838	379950455	/nfs/dbraw/zinc/95/04/55/379950455.db2.gz	LSUZFDXXYULDNQ-NSHDSACASA-N	-1	1	332.426	-0.054	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)C(=O)OC	ZINC000360611184	380264779	/nfs/dbraw/zinc/26/47/79/380264779.db2.gz	CJXOJHQXBVZHNN-NSHDSACASA-N	-1	1	336.410	-0.324	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000280518489	380936913	/nfs/dbraw/zinc/93/69/13/380936913.db2.gz	DPKGYPHZVIGGBJ-PWSUYJOCSA-N	-1	1	343.405	-0.657	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(=O)n(C)c1=O	ZINC000194129726	381034933	/nfs/dbraw/zinc/03/49/33/381034933.db2.gz	MDSFBDFTNDDFAD-LLVKDONJSA-N	-1	1	340.405	-0.165	20	30		EBEDMM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nn[n-]n1	ZINC000610807879	381213011	/nfs/dbraw/zinc/21/30/11/381213011.db2.gz	MXKDNQVMCMTJIN-QMMMGPOBSA-N	-1	1	335.349	-0.945	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC)c2nn[n-]n2)C1=O	ZINC000268254226	381714165	/nfs/dbraw/zinc/71/41/65/381714165.db2.gz	XOUYKDTXIBPAIZ-QMMMGPOBSA-N	-1	1	335.324	-0.866	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000333692294	381950001	/nfs/dbraw/zinc/95/00/01/381950001.db2.gz	MRDPPNWOCIBNIR-ZJUUUORDSA-N	-1	1	329.378	-0.904	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)o1	ZINC000344832330	156269286	/nfs/dbraw/zinc/26/92/86/156269286.db2.gz	XIRXABNYCSNJIT-UHFFFAOYSA-N	-1	1	330.362	-0.012	20	30		EBEDMM
C=CCNc1ncc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)s1	ZINC000433238513	421180078	/nfs/dbraw/zinc/18/00/78/421180078.db2.gz	GYPKVJYAIDVMPZ-UHFFFAOYSA-N	-1	1	328.379	0.515	20	30		EBEDMM
C=CCNc1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)s1	ZINC000433238513	421180079	/nfs/dbraw/zinc/18/00/79/421180079.db2.gz	GYPKVJYAIDVMPZ-UHFFFAOYSA-N	-1	1	328.379	0.515	20	30		EBEDMM
Cn1ccc(=O)n(CCCNC(=O)c2ccc(C#N)c([O-])c2)c1=O	ZINC000425281625	265089306	/nfs/dbraw/zinc/08/93/06/265089306.db2.gz	PWGJHZKSRSPHAL-UHFFFAOYSA-N	-1	1	328.328	-0.056	20	30		EBEDMM
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(S(N)(=O)=O)cc1	ZINC000731154754	582834922	/nfs/dbraw/zinc/83/49/22/582834922.db2.gz	BJODZEVENGQRNV-UHFFFAOYSA-N	-1	1	347.360	-0.085	20	30		EBEDMM
CCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736301504	582929278	/nfs/dbraw/zinc/92/92/78/582929278.db2.gz	DATXNGVSQJTXCZ-SSDOTTSWSA-N	-1	1	347.364	-0.289	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NC2(C#N)CCC2)co1	ZINC000784239478	583484843	/nfs/dbraw/zinc/48/48/43/583484843.db2.gz	FDMOTAKUVQFMQU-UHFFFAOYSA-N	-1	1	341.345	-0.093	20	30		EBEDMM
N#CC1(COC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1	ZINC000786202162	583507494	/nfs/dbraw/zinc/50/74/94/583507494.db2.gz	IWCFQFLHJMIQIQ-UHFFFAOYSA-N	-1	1	327.318	-0.496	20	30		EBEDMM
COc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1C#N	ZINC000826208764	583888255	/nfs/dbraw/zinc/88/82/55/583888255.db2.gz	ZBGUUQGFYDNPIF-UHFFFAOYSA-N	-1	1	339.315	-0.344	20	30		EBEDMM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826380743	583895726	/nfs/dbraw/zinc/89/57/26/583895726.db2.gz	LGAUIUVEOOKLBC-SECBINFHSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826380598	583895795	/nfs/dbraw/zinc/89/57/95/583895795.db2.gz	HAFNVONEPFJLFF-MRVPVSSYSA-N	-1	1	337.390	-0.109	20	30		EBEDMM
N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826380598	583895796	/nfs/dbraw/zinc/89/57/96/583895796.db2.gz	HAFNVONEPFJLFF-MRVPVSSYSA-N	-1	1	337.390	-0.109	20	30		EBEDMM
C#C[C@](C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000854697437	584247300	/nfs/dbraw/zinc/24/73/00/584247300.db2.gz	BYIDZNUIXQEKAP-CYBMUJFWSA-N	-1	1	327.362	-0.425	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000944249264	652729994	/nfs/dbraw/zinc/72/99/94/652729994.db2.gz	MFGZPKDINRIQFU-NXEZZACHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1	ZINC000941665913	652869115	/nfs/dbraw/zinc/86/91/15/652869115.db2.gz	SFAUPPORRZFLNF-SECBINFHSA-N	-1	1	349.347	-0.269	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000941668864	652870194	/nfs/dbraw/zinc/87/01/94/652870194.db2.gz	JCMKAKKOTYJNSW-SNVBAGLBSA-N	-1	1	343.347	-0.748	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@]1(C)CCN(C(=O)[C@H](C)C#N)C1	ZINC000957219920	722176221	/nfs/dbraw/zinc/17/62/21/722176221.db2.gz	PJMPKBJGDOQGLX-ANRSDYALSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)C#N)C1	ZINC000957219921	722176294	/nfs/dbraw/zinc/17/62/94/722176294.db2.gz	PJMPKBJGDOQGLX-AYVTZFPOSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000961824755	723093028	/nfs/dbraw/zinc/09/30/28/723093028.db2.gz	KLZDZLWHNQDCFD-JLDUMIBSSA-N	-1	1	333.392	-0.754	20	30		EBEDMM
C=CCCn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001019493483	728899607	/nfs/dbraw/zinc/89/96/07/728899607.db2.gz	AMJOXNQTRQVMGB-JTQLQIEISA-N	-1	1	332.368	-0.318	20	30		EBEDMM
N#CCN1CCCCC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000969115577	725152891	/nfs/dbraw/zinc/15/28/91/725152891.db2.gz	RNFPXPGVSZEVMO-LLVKDONJSA-N	-1	1	329.364	-0.084	20	30		EBEDMM
N#Cc1cnc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)cn1	ZINC001051682047	735320060	/nfs/dbraw/zinc/32/00/60/735320060.db2.gz	KYKPYEYNRPWEEN-YPMHNXCESA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC000992851430	725839752	/nfs/dbraw/zinc/83/97/52/725839752.db2.gz	HCAHFGLRIQITIX-GRYCIOLGSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001051682624	735321022	/nfs/dbraw/zinc/32/10/22/735321022.db2.gz	SZXJZWIJDXPFEH-GWCFXTLKSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#Cc1ccc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nn1	ZINC001051683224	735321596	/nfs/dbraw/zinc/32/15/96/735321596.db2.gz	ZLOSSGKHJZPPEF-AAEUAGOBSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001009255802	726881908	/nfs/dbraw/zinc/88/19/08/726881908.db2.gz	WLOCJPZABALRHI-ZDUSSCGKSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051834027	735421777	/nfs/dbraw/zinc/42/17/77/735421777.db2.gz	DKUFXFJFSALOCN-UTUOFQBUSA-N	-1	1	337.380	-0.582	20	30		EBEDMM
N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]12	ZINC001026400620	730143491	/nfs/dbraw/zinc/14/34/91/730143491.db2.gz	MKOBDCJDUYNDPN-OUAUKWLOSA-N	-1	1	327.348	-0.619	20	30		EBEDMM
N#Cc1cccc(CN2CC(NC(=O)c3cc(=O)n4[n-]cnc4n3)C2)c1	ZINC001031249958	730693942	/nfs/dbraw/zinc/69/39/42/730693942.db2.gz	MPLMMBWAYBWAQW-UHFFFAOYSA-N	-1	1	349.354	-0.097	20	30		EBEDMM
CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033019878	730957948	/nfs/dbraw/zinc/95/79/48/730957948.db2.gz	LCJMJWKESUCFEU-LBPRGKRZSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C=CCn1cc(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)nn1	ZINC001035070558	731182832	/nfs/dbraw/zinc/18/28/32/731182832.db2.gz	OWAPFOLVSRCTKL-SNVBAGLBSA-N	-1	1	332.368	-0.318	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001038941336	731396226	/nfs/dbraw/zinc/39/62/26/731396226.db2.gz	JOUUDIIFDDWKNF-ZDUSSCGKSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
N#CCN1CCC[C@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC001040493941	731758048	/nfs/dbraw/zinc/75/80/48/731758048.db2.gz	RGPCZESQMAGCFC-INIZCTEOSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
N#CCN1CC[C@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC001041740694	732210982	/nfs/dbraw/zinc/21/09/82/732210982.db2.gz	CIAUXJMKYNJAGW-INIZCTEOSA-N	-1	1	331.376	-0.625	20	30		EBEDMM
N#CCSCC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042713421	732547432	/nfs/dbraw/zinc/54/74/32/732547432.db2.gz	XSXCXTYUTGADSO-UHFFFAOYSA-N	-1	1	336.373	-0.653	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044038727	733257172	/nfs/dbraw/zinc/25/71/72/733257172.db2.gz	GXHROJLBLWVJPD-JSGCOSHPSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001046222545	733885765	/nfs/dbraw/zinc/88/57/65/733885765.db2.gz	BTSYOXYYXSIDBU-OAHLLOKOSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001046606877	733979279	/nfs/dbraw/zinc/97/92/79/733979279.db2.gz	KQYXDQGUMJPMHG-QGZVFWFLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
CC#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981885	736132513	/nfs/dbraw/zinc/13/25/13/736132513.db2.gz	XOZXFCXJLSZXPU-LLVKDONJSA-N	-1	1	342.359	-0.986	20	30		EBEDMM
C#CCCN1CC2(C1)C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982881	736133580	/nfs/dbraw/zinc/13/35/80/736133580.db2.gz	QNKAHJCTOULMHN-JTQLQIEISA-N	-1	1	348.359	-0.507	20	30		EBEDMM
Cc1n[nH]c(C(=O)NC2CCN(CCNC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001055629532	736414552	/nfs/dbraw/zinc/41/45/52/736414552.db2.gz	CLHNILZTEXQNHZ-SNVBAGLBSA-N	-1	1	348.407	-0.106	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057450409	737258317	/nfs/dbraw/zinc/25/83/17/737258317.db2.gz	QCLZDWKTRGIXGZ-MRXNPFEDSA-N	-1	1	337.376	-0.335	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001058658976	737939924	/nfs/dbraw/zinc/93/99/24/737939924.db2.gz	POCLOIKHJXAXBG-JTQLQIEISA-N	-1	1	347.375	-0.230	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(c2nccnc2C#N)C[C@@H]1O	ZINC001065587356	739780134	/nfs/dbraw/zinc/78/01/34/739780134.db2.gz	XFRMOORIYRJNSV-AAEUAGOBSA-N	-1	1	340.343	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1	ZINC001071013801	741036775	/nfs/dbraw/zinc/03/67/75/741036775.db2.gz	NSKCSLWYBVRKDL-DTWKUNHWSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001074383079	741921957	/nfs/dbraw/zinc/92/19/57/741921957.db2.gz	VDWKBDUFPINRGZ-CHWSQXEVSA-N	-1	1	344.375	-0.481	20	30		EBEDMM
CC(C)C#CC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001076411391	742461194	/nfs/dbraw/zinc/46/11/94/742461194.db2.gz	FZSIBJWIKWXLNL-NSHDSACASA-N	-1	1	344.375	-0.298	20	30		EBEDMM
C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1=O	ZINC001076916829	742642088	/nfs/dbraw/zinc/64/20/88/742642088.db2.gz	DPCFVKRMWISGIR-MBNYWOFBSA-N	-1	1	346.387	-0.651	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001078130826	743489125	/nfs/dbraw/zinc/48/91/25/743489125.db2.gz	NXLYTFUYRGQNLF-QWRGUYRKSA-N	-1	1	335.364	-0.903	20	30		EBEDMM
N#CCN1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]2C1	ZINC000980210908	805799233	/nfs/dbraw/zinc/79/92/33/805799233.db2.gz	ZWUHHMKTDBVWFZ-SDDRHHMPSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000983214739	806953446	/nfs/dbraw/zinc/95/34/46/806953446.db2.gz	JPVMAOCNWWWSPC-DTWKUNHWSA-N	-1	1	349.347	-0.366	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001008561260	810195878	/nfs/dbraw/zinc/19/58/78/810195878.db2.gz	WRZHRAVAVYIJOQ-XQQFMLRXSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=CCCCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001218565965	810504224	/nfs/dbraw/zinc/50/42/24/810504224.db2.gz	DCRBNPHZHMNWFV-QWHCGFSZSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21	ZINC001222550806	811642360	/nfs/dbraw/zinc/64/23/60/811642360.db2.gz	DEPPOPXPBUEMSY-OLZOCXBDSA-N	-1	1	343.387	-0.037	20	30		EBEDMM
C=C[C@@H]1C[C@]1(NC[C@H](O)COC(C)C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001252694538	812664194	/nfs/dbraw/zinc/66/41/94/812664194.db2.gz	GRSQNWZSADXYGH-TYNCELHUSA-N	-1	1	346.449	-0.085	20	30		EBEDMM
C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081346506	812775701	/nfs/dbraw/zinc/77/57/01/812775701.db2.gz	IYJWTVSXFJRGFI-AAEUAGOBSA-N	-1	1	335.360	-0.461	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081488418	813047737	/nfs/dbraw/zinc/04/77/37/813047737.db2.gz	IBIOQUURCNFDFO-OCCSQVGLSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C#CCN(CC#C)c1nnc(Cc2nnn[n-]2)n1C[C@H]1CCCO1	ZINC001263437652	813111952	/nfs/dbraw/zinc/11/19/52/813111952.db2.gz	TVIFZCJSOQOMRK-GFCCVEGCSA-N	-1	1	326.364	-0.366	20	30		EBEDMM
C#CCN(CC#C)c1nnc(Cc2nn[n-]n2)n1C[C@H]1CCCO1	ZINC001263437652	813111956	/nfs/dbraw/zinc/11/19/56/813111956.db2.gz	TVIFZCJSOQOMRK-GFCCVEGCSA-N	-1	1	326.364	-0.366	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)nn1	ZINC001265374563	813313687	/nfs/dbraw/zinc/31/36/87/813313687.db2.gz	OTJKGCUZJHSKTP-SNVBAGLBSA-N	-1	1	332.368	-0.414	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001266747372	813659313	/nfs/dbraw/zinc/65/93/13/813659313.db2.gz	QKMZTYCHBPEMFE-GFCCVEGCSA-N	-1	1	331.376	-0.131	20	30		EBEDMM
Cn1cc(CN2CC3(C2)CN(C(=O)Cc2nn[n-]n2)C3)cc1C#N	ZINC001270182269	815713234	/nfs/dbraw/zinc/71/32/34/815713234.db2.gz	APVQMFWNVGLSNB-UHFFFAOYSA-N	-1	1	326.364	-0.703	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)c1	ZINC001088846634	816753626	/nfs/dbraw/zinc/75/36/26/816753626.db2.gz	YMFAHEGDVDWXDN-RISCZKNCSA-N	-1	1	340.387	-0.123	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC001276539910	817420072	/nfs/dbraw/zinc/42/00/72/817420072.db2.gz	HLKTXQJYSPHPTI-KRWDZBQOSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
C#CCN(C(=O)Cc1ccn[nH]1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001278137201	817706489	/nfs/dbraw/zinc/70/64/89/817706489.db2.gz	KQZBEEVMRACJRF-UHFFFAOYSA-N	-1	1	343.391	-0.098	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ncccc1C#N	ZINC001097940185	819058730	/nfs/dbraw/zinc/05/87/30/819058730.db2.gz	UYQUBUYDBPZOFY-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)nn1	ZINC001097949874	819061995	/nfs/dbraw/zinc/06/19/95/819061995.db2.gz	DNLQOCXZCPROTN-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)cn1	ZINC001097950822	819062308	/nfs/dbraw/zinc/06/23/08/819062308.db2.gz	WXLIVZSTMNKMDG-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1ccncc1C#N	ZINC001097952208	819063400	/nfs/dbraw/zinc/06/34/00/819063400.db2.gz	NVGQUULBUZKLBX-MRVPVSSYSA-N	-1	1	344.331	-0.185	20	30		EBEDMM
CC(C)C#CC(=O)N1CCC(N(CCO)Cc2n[nH]c(=O)[n-]2)CC1	ZINC001098361341	819148943	/nfs/dbraw/zinc/14/89/43/819148943.db2.gz	BVWFAUMASWNCRF-UHFFFAOYSA-N	-1	1	335.408	-0.045	20	30		EBEDMM
O=C(C#CC1CC1)N1CCC(N(CCO)Cc2n[nH]c(=O)[n-]2)CC1	ZINC001098365390	819152087	/nfs/dbraw/zinc/15/20/87/819152087.db2.gz	UATRWWOFDZAVSE-UHFFFAOYSA-N	-1	1	333.392	-0.291	20	30		EBEDMM
CC(C)C#CC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001284517311	819267049	/nfs/dbraw/zinc/26/70/49/819267049.db2.gz	AYUFLQSJUBPMAN-UHFFFAOYSA-N	-1	1	330.348	-0.735	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2nc(=O)n(C)[n-]2)C1	ZINC001099227629	819437616	/nfs/dbraw/zinc/43/76/16/819437616.db2.gz	NCELHSBMDAKCOO-IWSPIJDZSA-N	-1	1	346.313	-0.253	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(N(C)C(=O)C#CC(C)C)C1	ZINC001286008491	819863964	/nfs/dbraw/zinc/86/39/64/819863964.db2.gz	FJVWEKDBYSHCQH-UHFFFAOYSA-N	-1	1	348.359	-0.161	20	30		EBEDMM
CC#CCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099962189	819966541	/nfs/dbraw/zinc/96/65/41/819966541.db2.gz	KYHYENGKZVAMJG-STQMWFEESA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001289400192	820384074	/nfs/dbraw/zinc/38/40/74/820384074.db2.gz	MQNBMTJAIHTHSY-QJPTWQEYSA-N	-1	1	347.375	-0.951	20	30		EBEDMM
CN(CCNc1cncc(C#N)n1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699420	820884432	/nfs/dbraw/zinc/88/44/32/820884432.db2.gz	ZMEPISMOFUKERT-UHFFFAOYSA-N	-1	1	339.319	-0.737	20	30		EBEDMM
C#CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CCN(C(C)=O)CC1	ZINC001299463744	821696221	/nfs/dbraw/zinc/69/62/21/821696221.db2.gz	ADIAKFSOJHEOPL-UHFFFAOYSA-N	-1	1	348.359	-0.017	20	30		EBEDMM
C=CCNC(=O)NC(C)(C)C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1	ZINC001317664061	822197500	/nfs/dbraw/zinc/19/75/00/822197500.db2.gz	IJKFYYSSQBRTBU-UHFFFAOYSA-N	-1	1	339.400	-0.678	20	30		EBEDMM
C[C@@H](CNc1ccncc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461388	824295636	/nfs/dbraw/zinc/29/56/36/824295636.db2.gz	NMASJTPMMSCUBW-VIFPVBQESA-N	-1	1	338.331	-0.663	20	30		EBEDMM
C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461263	824295690	/nfs/dbraw/zinc/29/56/90/824295690.db2.gz	GUKOCBDIVOMPQZ-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSCC#N)C3)nc1=O	ZINC001108947374	824458474	/nfs/dbraw/zinc/45/84/74/824458474.db2.gz	QBXBJFITBSVEAH-VWYCJHECSA-N	-1	1	336.421	-0.413	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1	ZINC001129666531	828652402	/nfs/dbraw/zinc/65/24/02/828652402.db2.gz	AEJXQVQKPFJDOQ-NEPJUHHUSA-N	-1	1	346.395	-0.792	20	30		EBEDMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCNCC#Cc1ccccc1	ZINC001130754158	828929061	/nfs/dbraw/zinc/92/90/61/828929061.db2.gz	QOECGTPGYBQGPG-UHFFFAOYSA-N	-1	1	341.371	-0.027	20	30		EBEDMM
C[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1CNCC#N	ZINC001133241241	829610587	/nfs/dbraw/zinc/61/05/87/829610587.db2.gz	GJOAURQBUWMKRT-MNOVXSKESA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1	ZINC001147760991	830407696	/nfs/dbraw/zinc/40/76/96/830407696.db2.gz	ROWIWUHMMYSXMZ-LBPRGKRZSA-N	-1	1	343.387	-0.532	20	30		EBEDMM
C#CCCCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149640001	830719474	/nfs/dbraw/zinc/71/94/74/830719474.db2.gz	PFKKTVZIYIXUOF-ZDUSSCGKSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
CN(CC#N)C[C@H]1CCCCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001158739171	831683102	/nfs/dbraw/zinc/68/31/02/831683102.db2.gz	BCJNUXUJDBIMCX-LLVKDONJSA-N	-1	1	329.364	-0.132	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001160131711	831817113	/nfs/dbraw/zinc/81/71/13/831817113.db2.gz	TTZIVJQNMOMWQS-CYBMUJFWSA-N	-1	1	347.419	-0.215	20	30		EBEDMM
CC(=O)N1CC[C@H](N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C1	ZINC001169535749	832466701	/nfs/dbraw/zinc/46/67/01/832466701.db2.gz	YGVSUARDGRCQAT-QWRGUYRKSA-N	-1	1	341.370	-0.377	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001177000349	832731464	/nfs/dbraw/zinc/73/14/64/832731464.db2.gz	OSPLGXKJQGKNHX-KGLIPLIRSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
CC#CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001213302980	837744744	/nfs/dbraw/zinc/74/47/44/837744744.db2.gz	CHAMHALYYGLXNW-CHWSQXEVSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C[C@H]1[C@H](NC(=O)c2ccc(C#N)cc2O)C(=O)N1S(=O)(=O)[O-]	ZINC001195763618	835286620	/nfs/dbraw/zinc/28/66/20/835286620.db2.gz	APZCLXLRMMATBW-WKEGUHRASA-N	-1	1	325.302	-0.604	20	30		EBEDMM
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001197757965	835604649	/nfs/dbraw/zinc/60/46/49/835604649.db2.gz	CRORSVBHMMNAOT-VXGBXAGGSA-N	-1	1	348.359	-0.094	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202787931	836347912	/nfs/dbraw/zinc/34/79/12/836347912.db2.gz	YJWGIHMPGDISOF-GHMZBOCLSA-N	-1	1	346.391	-0.833	20	30		EBEDMM
N#Cc1cc(-n2c(N)c3ncn(COCCO)c3nc2=N)ccc1[O-]	ZINC001210530547	837295739	/nfs/dbraw/zinc/29/57/39/837295739.db2.gz	GXKARWTXZLLZLX-UHFFFAOYSA-N	-1	1	341.331	-0.173	20	30		EBEDMM
C=CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]1CCS(=O)(=O)C1	ZINC001320805458	838841331	/nfs/dbraw/zinc/84/13/31/838841331.db2.gz	JTSLCYIXXGXCKJ-QMMMGPOBSA-N	-1	1	343.361	-0.288	20	30		EBEDMM
C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)c2ncccc2[O-])C1	ZINC001323910084	839556514	/nfs/dbraw/zinc/55/65/14/839556514.db2.gz	MIVNKNZRMBJMDM-UHFFFAOYSA-N	-1	1	347.375	-0.445	20	30		EBEDMM
COCC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001325897758	839968606	/nfs/dbraw/zinc/96/86/06/839968606.db2.gz	KRZXXEVOXPQTSN-NWDGAFQWSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C#CCOCCC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001327635730	840481090	/nfs/dbraw/zinc/48/10/90/840481090.db2.gz	VTWFRTFYSNCNGV-UHFFFAOYSA-N	-1	1	337.380	-0.695	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C	ZINC001328240244	840630625	/nfs/dbraw/zinc/63/06/25/840630625.db2.gz	PMQRFABCSZBZMZ-ZYHUDNBSSA-N	-1	1	333.392	-0.244	20	30		EBEDMM
C=CCCC(=O)N[C@H]1C[C@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001338117408	842752153	/nfs/dbraw/zinc/75/21/53/842752153.db2.gz	OUHAYEQBBJRQAD-STQMWFEESA-N	-1	1	348.403	-0.002	20	30		EBEDMM
COc1cc2[n-]cc(C(=O)NCC(=O)NCC#N)c(=O)c2c(OC)c1	ZINC001348469287	843700673	/nfs/dbraw/zinc/70/06/73/843700673.db2.gz	MUOKBTFMNSBRLB-UHFFFAOYSA-N	-1	1	344.327	-0.085	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573285361	946775993	/nfs/dbraw/zinc/77/59/93/946775993.db2.gz	GWHLEHQTLMRWNJ-LLVKDONJSA-N	-1	1	344.379	-0.045	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573285361	946776001	/nfs/dbraw/zinc/77/60/01/946776001.db2.gz	GWHLEHQTLMRWNJ-LLVKDONJSA-N	-1	1	344.379	-0.045	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573286233	946800356	/nfs/dbraw/zinc/80/03/56/946800356.db2.gz	WTIUYERONSSPLQ-SNVBAGLBSA-N	-1	1	330.352	-0.435	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573286233	946800371	/nfs/dbraw/zinc/80/03/71/946800371.db2.gz	WTIUYERONSSPLQ-SNVBAGLBSA-N	-1	1	330.352	-0.435	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573288156	946857764	/nfs/dbraw/zinc/85/77/64/946857764.db2.gz	SCTKRAWJYYVLJJ-UWVGGRQHSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561374	946961881	/nfs/dbraw/zinc/96/18/81/946961881.db2.gz	JVJCCPZITGCRMY-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561374	946961891	/nfs/dbraw/zinc/96/18/91/946961891.db2.gz	JVJCCPZITGCRMY-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573563054	946984190	/nfs/dbraw/zinc/98/41/90/946984190.db2.gz	ZMZUWBKTJHXDCV-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573563054	946984196	/nfs/dbraw/zinc/98/41/96/946984196.db2.gz	ZMZUWBKTJHXDCV-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573572424	947112300	/nfs/dbraw/zinc/11/23/00/947112300.db2.gz	HPOQCSHNJSRGAD-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573572424	947112310	/nfs/dbraw/zinc/11/23/10/947112310.db2.gz	HPOQCSHNJSRGAD-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573576990	947158614	/nfs/dbraw/zinc/15/86/14/947158614.db2.gz	KRYLEGZPFQISBI-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573576990	947158619	/nfs/dbraw/zinc/15/86/19/947158619.db2.gz	KRYLEGZPFQISBI-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573582325	947189329	/nfs/dbraw/zinc/18/93/29/947189329.db2.gz	CVRNUDCFYYNKGN-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573583575	947205890	/nfs/dbraw/zinc/20/58/90/947205890.db2.gz	MYWPFXLYDZIQNU-ZJUUUORDSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573583575	947205899	/nfs/dbraw/zinc/20/58/99/947205899.db2.gz	MYWPFXLYDZIQNU-ZJUUUORDSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1	ZINC001573310389	947223521	/nfs/dbraw/zinc/22/35/21/947223521.db2.gz	XHXQTAPIOWUWRQ-HNNXBMFYSA-N	-1	1	346.395	-0.074	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1	ZINC001573310389	947223531	/nfs/dbraw/zinc/22/35/31/947223531.db2.gz	XHXQTAPIOWUWRQ-HNNXBMFYSA-N	-1	1	346.395	-0.074	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C	ZINC001573585220	947248828	/nfs/dbraw/zinc/24/88/28/947248828.db2.gz	DCHZLBRRGRNNIX-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCOCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573343650	947561353	/nfs/dbraw/zinc/56/13/53/947561353.db2.gz	RQBXEFRENYTVRZ-JTQLQIEISA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C[C@@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCCS1(=O)=O	ZINC001570935569	948985236	/nfs/dbraw/zinc/98/52/36/948985236.db2.gz	RYCSVBOTUKRWNN-NSHDSACASA-N	-1	1	336.337	-0.633	20	30		EBEDMM
CC[C@H](CNS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[n-]n2)n1	ZINC001570936465	949034081	/nfs/dbraw/zinc/03/40/81/949034081.db2.gz	XJGOPDUSDPWWEQ-SSDOTTSWSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
N#Cc1nc(N2CC[C@@H](CN3CCCC3=O)C2)cnc1-c1nnn[n-]1	ZINC001570936807	949055559	/nfs/dbraw/zinc/05/55/59/949055559.db2.gz	OXIQTIFHVZXJJQ-SNVBAGLBSA-N	-1	1	339.363	-0.023	20	30		EBEDMM
N#Cc1nc(N2CC[C@@H](CN3CCCC3=O)C2)cnc1-c1nn[n-]n1	ZINC001570936807	949055569	/nfs/dbraw/zinc/05/55/69/949055569.db2.gz	OXIQTIFHVZXJJQ-SNVBAGLBSA-N	-1	1	339.363	-0.023	20	30		EBEDMM
N#Cc1ncc(N2CC[C@H](CN3CCCC3=O)C2)nc1-c1nn[n-]n1	ZINC001570937039	949068655	/nfs/dbraw/zinc/06/86/55/949068655.db2.gz	XKIINIBBRRUIDD-JTQLQIEISA-N	-1	1	339.363	-0.023	20	30		EBEDMM
C[C@H](CC#N)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574470562	949509569	/nfs/dbraw/zinc/50/95/69/949509569.db2.gz	FIQLPVDFNBQMOI-MRVPVSSYSA-N	-1	1	332.324	-0.720	20	30		EBEDMM
C[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575018181	951013923	/nfs/dbraw/zinc/01/39/23/951013923.db2.gz	MEPZZHZJNCOZGG-MRVPVSSYSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC001609691346	970448232	/nfs/dbraw/zinc/44/82/32/970448232.db2.gz	KFJXGJDROGCFSS-HNNXBMFYSA-N	-1	1	339.392	-0.323	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605585813	973877597	/nfs/dbraw/zinc/87/75/97/973877597.db2.gz	ISFIXRFRWSLMJQ-CBAPKCEASA-N	-1	1	336.270	-0.778	20	30		EBEDMM
C#CCN1CCC(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588471699	983507265	/nfs/dbraw/zinc/50/72/65/983507265.db2.gz	XOOAMEQMQGGODT-ZIAGYGMSSA-N	-1	1	335.404	-0.373	20	30		EBEDMM
CCN(CCC#N)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001596299918	983727609	/nfs/dbraw/zinc/72/76/09/983727609.db2.gz	IOPYQXZJDGYKGR-UHFFFAOYSA-N	-1	1	332.426	-0.052	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)NC[C@H](F)C(=O)[O-])c1ccn[nH]1	ZINC001596629976	984614712	/nfs/dbraw/zinc/61/47/12/984614712.db2.gz	YCGMUYPAVXBKOS-ZETCQYMHSA-N	-1	1	330.272	-0.768	20	30		EBEDMM
CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001591108777	991752678	/nfs/dbraw/zinc/75/26/78/991752678.db2.gz	KZBOOCMSQDSYKK-GFCCVEGCSA-N	-1	1	335.364	-0.080	20	30		EBEDMM
CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001591108779	991752971	/nfs/dbraw/zinc/75/29/71/991752971.db2.gz	KZBOOCMSQDSYKK-LBPRGKRZSA-N	-1	1	335.364	-0.080	20	30		EBEDMM
C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001491213945	1130361362	/nfs/dbraw/zinc/36/13/62/1130361362.db2.gz	LVONWUJQKHTZCW-LBPRGKRZSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
N#Cc1c[n-]n2c1nc(CN1CCC(OCC(N)=O)CC1)cc2=O	ZINC001413965824	1130864353	/nfs/dbraw/zinc/86/43/53/1130864353.db2.gz	ZGLPSMSTGHREKG-UHFFFAOYSA-N	-1	1	330.348	-0.227	20	30		EBEDMM
C=CCCCC(=O)NCC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356829915	1130964665	/nfs/dbraw/zinc/96/46/65/1130964665.db2.gz	GEYOGMMOWDIWHK-UHFFFAOYSA-N	-1	1	348.403	-0.142	20	30		EBEDMM
CC[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)NC(=O)C#CC1CC1	ZINC001356904760	1130994081	/nfs/dbraw/zinc/99/40/81/1130994081.db2.gz	HBTRDPMDDRNYQY-SNVBAGLBSA-N	-1	1	348.359	-0.066	20	30		EBEDMM
Cc1cc(CCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n[nH]1	ZINC001363949854	1132140649	/nfs/dbraw/zinc/14/06/49/1132140649.db2.gz	NQCGZQHDWOJDOL-UHFFFAOYSA-N	-1	1	328.332	-0.132	20	30		EBEDMM
CC[C@](COC)([N-]S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC	ZINC001363953390	1132141080	/nfs/dbraw/zinc/14/10/80/1132141080.db2.gz	ZDOWNZYFIXYAKO-ZYHUDNBSSA-N	-1	1	335.382	-0.987	20	30		EBEDMM
N#Cc1c[n-]n2c1nc(CN1CC[C@H](CS(N)(=O)=O)C1)cc2=O	ZINC001364547422	1132358468	/nfs/dbraw/zinc/35/84/68/1132358468.db2.gz	GLEQSNRXKQNGIM-VIFPVBQESA-N	-1	1	336.377	-0.583	20	30		EBEDMM
CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000287189125	376376139	/nfs/dbraw/zinc/37/61/39/376376139.db2.gz	DJOHFABYOGUSMX-UHFFFAOYSA-N	-1	1	336.395	-0.738	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)o1	ZINC000588113963	377388176	/nfs/dbraw/zinc/38/81/76/377388176.db2.gz	XKHWKHDMUKTPRI-UHFFFAOYSA-N	-1	1	333.391	-0.145	20	30		EBEDMM
COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000554429974	379196670	/nfs/dbraw/zinc/19/66/70/379196670.db2.gz	AIGOCTQLMCNWOM-LLVKDONJSA-N	-1	1	343.361	-0.697	20	30		EBEDMM
C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2nn[n-]n2)c1	ZINC000490688253	379554924	/nfs/dbraw/zinc/55/49/24/379554924.db2.gz	HNNHQZIAYOQMNA-UHFFFAOYSA-N	-1	1	348.388	-0.224	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)C(=O)OC	ZINC000360596806	380265386	/nfs/dbraw/zinc/26/53/86/380265386.db2.gz	JNWRFWGFIJOFEF-WOPDTQHZSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
COC(=O)C[N@H+]1CCC[C@@H](C/N=C(/[O-])c2cnc([O-])n(C)c2=O)C1	ZINC000330599101	380831716	/nfs/dbraw/zinc/83/17/16/380831716.db2.gz	GEGHJARDERPUGY-JTQLQIEISA-N	-1	1	338.364	-0.325	20	30		EBEDMM
N#Cc1ccc(CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c(F)c1	ZINC000517756341	418993131	/nfs/dbraw/zinc/99/31/31/418993131.db2.gz	DQQQUQLNIGOGNC-ZDUSSCGKSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
Cn1ccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)n1	ZINC000341548043	420606397	/nfs/dbraw/zinc/60/63/97/420606397.db2.gz	CCEVIRWZABFAEE-UHFFFAOYSA-N	-1	1	325.394	0.362	20	30		EBEDMM
CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349568832	421220667	/nfs/dbraw/zinc/22/06/67/421220667.db2.gz	AISUWTYFHFQZFE-UHFFFAOYSA-N	-1	1	346.434	0.413	20	30		EBEDMM
CC(Cn1cc(C(F)(F)F)ccc1=O)N=NC1=NC(=O)C(=O)[N-]1	ZINC000794526400	583582847	/nfs/dbraw/zinc/58/28/47/583582847.db2.gz	QOWBGOHIABEVCF-UHFFFAOYSA-N	-1	1	329.238	-0.155	20	30		EBEDMM
C#CCO[N-]C(=O)C[NH+](CC(=O)[N-]OCC#C)Cc1ccccc1	ZINC000812782071	583696523	/nfs/dbraw/zinc/69/65/23/583696523.db2.gz	KNJNZBJBLPOTEA-UHFFFAOYSA-N	-1	1	329.356	-0.149	20	30		EBEDMM
CN1CCN(C[C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)CC1	ZINC000820626557	583776446	/nfs/dbraw/zinc/77/64/46/583776446.db2.gz	QBVKKCQMOMTGAV-CJNGLKHVSA-N	-1	1	338.408	-0.534	20	30		EBEDMM
N#Cc1ncn(CCn2cc([N+](=O)[O-])ccc2=O)c1-c1nn[n-]n1	ZINC000826388445	583896066	/nfs/dbraw/zinc/89/60/66/583896066.db2.gz	ZICIXWGEZSTCNW-UHFFFAOYSA-N	-1	1	327.264	-0.295	20	30		EBEDMM
C[C@@H]1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000854061227	584234456	/nfs/dbraw/zinc/23/44/56/584234456.db2.gz	AKSYIOASFKPZEV-BDAKNGLRSA-N	-1	1	349.313	-0.275	20	30		EBEDMM
C=CCN1C(=O)c2ccc(C(=O)NN3CC(=O)[N-]C3=O)cc2C1=O	ZINC000921245572	650316441	/nfs/dbraw/zinc/31/64/41/650316441.db2.gz	KHLMWZJYEDJNNZ-UHFFFAOYSA-N	-1	1	328.284	-0.335	20	30		EBEDMM
C=CCCN1CC(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1	ZINC000941475712	652759381	/nfs/dbraw/zinc/75/93/81/652759381.db2.gz	WVTDONLDCMFVAD-UHFFFAOYSA-N	-1	1	334.380	-0.699	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000949320521	653862111	/nfs/dbraw/zinc/86/21/11/653862111.db2.gz	PAJWAMVVDKZTAT-GFCCVEGCSA-N	-1	1	348.407	-0.539	20	30		EBEDMM
C#Cc1cncc(C(=O)N(CC)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC000951719231	654256014	/nfs/dbraw/zinc/25/60/14/654256014.db2.gz	LAISVMCMCQSHLC-UHFFFAOYSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000951867659	654323652	/nfs/dbraw/zinc/32/36/52/654323652.db2.gz	JLPINFDPYZFCMX-UWVGGRQHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C=CCn1cc(C(=O)N(CC)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000952426701	654457252	/nfs/dbraw/zinc/45/72/52/654457252.db2.gz	DYHMPEGVYKOFDD-UHFFFAOYSA-N	-1	1	346.395	-0.768	20	30		EBEDMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C(=O)[C@H](C)C#N)C1	ZINC000968155577	724970846	/nfs/dbraw/zinc/97/08/46/724970846.db2.gz	XOWMOUAQLQMJHM-SECBINFHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000968432617	725063273	/nfs/dbraw/zinc/06/32/73/725063273.db2.gz	ZBNTXQKMGGXHOS-JSGCOSHPSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC000972755901	725590361	/nfs/dbraw/zinc/59/03/61/725590361.db2.gz	HTTPKSILULBHAM-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC000992861324	725841120	/nfs/dbraw/zinc/84/11/20/725841120.db2.gz	QTHQEXOMEWOZMP-BFHYXJOUSA-N	-1	1	345.403	-0.333	20	30		EBEDMM
N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)c[nH]1	ZINC001023466152	729695421	/nfs/dbraw/zinc/69/54/21/729695421.db2.gz	SSDYEBCLYNGPKD-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001023757057	729793635	/nfs/dbraw/zinc/79/36/35/729793635.db2.gz	RQFWIEGQORLDKC-XXILOJSOSA-N	-1	1	345.359	-0.479	20	30		EBEDMM
N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]12	ZINC001026375746	730141572	/nfs/dbraw/zinc/14/15/72/730141572.db2.gz	XUDQMDUOHMBXRY-FRRDWIJNSA-N	-1	1	331.376	-0.723	20	30		EBEDMM
N#CCSCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001041568199	732157405	/nfs/dbraw/zinc/15/74/05/732157405.db2.gz	FNAFGIOFORYUTC-UHFFFAOYSA-N	-1	1	336.373	-0.653	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)nc1=O	ZINC001042058329	732290138	/nfs/dbraw/zinc/29/01/38/732290138.db2.gz	PTRWUQMOOBNGGA-ZIAGYGMSSA-N	-1	1	329.404	-0.055	20	30		EBEDMM
N#CCN1CC[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001042270211	732384129	/nfs/dbraw/zinc/38/41/29/732384129.db2.gz	NBNDHWRYGKPRNJ-CHWSQXEVSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
N#CCN1CC[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001042270213	732384200	/nfs/dbraw/zinc/38/42/00/732384200.db2.gz	NBNDHWRYGKPRNJ-QWHCGFSZSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001042806886	732594954	/nfs/dbraw/zinc/59/49/54/732594954.db2.gz	MFXBWLWWPDZLFP-OAHLLOKOSA-N	-1	1	335.360	-0.583	20	30		EBEDMM
C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043567523	733006207	/nfs/dbraw/zinc/00/62/07/733006207.db2.gz	CWXHIQHOYLWQLC-UHFFFAOYSA-N	-1	1	335.360	-0.317	20	30		EBEDMM
C=CCn1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)nn1	ZINC001045232573	733630292	/nfs/dbraw/zinc/63/02/92/733630292.db2.gz	OWAPFOLVSRCTKL-JTQLQIEISA-N	-1	1	332.368	-0.318	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057413496	737234061	/nfs/dbraw/zinc/23/40/61/737234061.db2.gz	YNUOSMYCNHBIDC-LBPRGKRZSA-N	-1	1	335.360	-0.624	20	30		EBEDMM
C#CCOCCC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057581048	737340838	/nfs/dbraw/zinc/34/08/38/737340838.db2.gz	KMMKDPDJHNWMQI-UHFFFAOYSA-N	-1	1	335.360	-0.622	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n3[n-]cnc3n2)CCC1	ZINC001063715051	739185686	/nfs/dbraw/zinc/18/56/86/739185686.db2.gz	IZAJOAZCIZGJNW-VIFPVBQESA-N	-1	1	343.347	-0.654	20	30		EBEDMM
N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067666207	740179624	/nfs/dbraw/zinc/17/96/24/740179624.db2.gz	YYXIPMSZDMLRCL-PWSUYJOCSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@H](C)O2	ZINC001071234030	741096945	/nfs/dbraw/zinc/09/69/45/741096945.db2.gz	RPTMJWJCRMOFRR-NHYWBVRUSA-N	-1	1	335.364	-0.986	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001077402141	742956029	/nfs/dbraw/zinc/95/60/29/742956029.db2.gz	DKOORQOFEBEITG-MNOVXSKESA-N	-1	1	335.364	-0.903	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000983214741	806952959	/nfs/dbraw/zinc/95/29/59/806952959.db2.gz	JPVMAOCNWWWSPC-RKDXNWHRSA-N	-1	1	349.347	-0.366	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1	ZINC000979284020	805261680	/nfs/dbraw/zinc/26/16/80/805261680.db2.gz	APNFHBJCNZKLTP-SKDRFNHKSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1	ZINC000987137756	807853358	/nfs/dbraw/zinc/85/33/58/807853358.db2.gz	ZMBICFAEANIWPT-UWVGGRQHSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
N#CCN1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@H]21	ZINC001036843285	811284369	/nfs/dbraw/zinc/28/43/69/811284369.db2.gz	CXIBKCGQKCUDAY-QWHCGFSZSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221545162	811484957	/nfs/dbraw/zinc/48/49/57/811484957.db2.gz	ZFNAGNJTDCCUDY-CHWSQXEVSA-N	-1	1	333.392	-0.819	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[n-]1	ZINC001226188569	811851401	/nfs/dbraw/zinc/85/14/01/811851401.db2.gz	UJKRSBQKYMUZFZ-JHJVBQTASA-N	-1	1	335.408	-0.336	20	30		EBEDMM
C#C[C@@H](CCC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473814	811924397	/nfs/dbraw/zinc/92/43/97/811924397.db2.gz	QIAICBTYMISAGA-LURJTMIESA-N	-1	1	347.287	-0.493	20	30		EBEDMM
C=CCOC[C@@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001252474266	812658006	/nfs/dbraw/zinc/65/80/06/812658006.db2.gz	XUKCOBUXPJEMPM-AWEZNQCLSA-N	-1	1	336.454	-0.165	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081346507	812775799	/nfs/dbraw/zinc/77/57/99/812775799.db2.gz	IYJWTVSXFJRGFI-DGCLKSJQSA-N	-1	1	335.360	-0.461	20	30		EBEDMM
C=CCNC(=O)NC(=O)CN1CC(NC(=O)c2ncccc2[O-])C1	ZINC001268279193	814170664	/nfs/dbraw/zinc/17/06/64/814170664.db2.gz	DNWMHNNLOXRSQT-UHFFFAOYSA-N	-1	1	333.348	-0.787	20	30		EBEDMM
C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001271152880	816006821	/nfs/dbraw/zinc/00/68/21/816006821.db2.gz	OQLFHNUQKCXWPH-MRXNPFEDSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001085932996	816182080	/nfs/dbraw/zinc/18/20/80/816182080.db2.gz	NDRICLWTGDMPEZ-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C=CCC1(C(=O)NC[C@]2(O)CCN(Cc3nc(=O)n(C)[n-]3)C2)CCC1	ZINC001278804836	817841359	/nfs/dbraw/zinc/84/13/59/817841359.db2.gz	FFUACGQDOJQXKM-QGZVFWFLSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001280283123	818031526	/nfs/dbraw/zinc/03/15/26/818031526.db2.gz	OISBMDVYGMRPIC-QWHCGFSZSA-N	-1	1	348.403	-0.260	20	30		EBEDMM
N#Cc1cnc(NCCCNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001094499276	818277426	/nfs/dbraw/zinc/27/74/26/818277426.db2.gz	SEABPJMXMGQPQY-UHFFFAOYSA-N	-1	1	343.347	-0.793	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)nc1=O	ZINC001096972706	818915277	/nfs/dbraw/zinc/91/52/77/818915277.db2.gz	WHLWZYAQCJNHAR-UPJWGTAASA-N	-1	1	341.375	-0.157	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1cnc(C#N)cn1	ZINC001097939886	819059533	/nfs/dbraw/zinc/05/95/33/819059533.db2.gz	PLEVSIAAJVOWHG-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccncc1C#N	ZINC001097950590	819061691	/nfs/dbraw/zinc/06/16/91/819061691.db2.gz	RLTMYPQZWRUNMC-VIFPVBQESA-N	-1	1	338.331	-0.663	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1nccnc1C#N	ZINC001097951803	819062850	/nfs/dbraw/zinc/06/28/50/819062850.db2.gz	FPWFZHBJLUIXBN-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1nccnc1C#N	ZINC001097951802	819062982	/nfs/dbraw/zinc/06/29/82/819062982.db2.gz	FPWFZHBJLUIXBN-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001284128655	819104679	/nfs/dbraw/zinc/10/46/79/819104679.db2.gz	NQPMKHIKNXAOSA-OLZOCXBDSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C#CCN1CCC2(CC1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001098614235	819276899	/nfs/dbraw/zinc/27/68/99/819276899.db2.gz	KGAPESJIYZZDCY-NSHDSACASA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C#CCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1	ZINC001099874208	819814096	/nfs/dbraw/zinc/81/40/96/819814096.db2.gz	HVKPYTZOVCURIP-CHWSQXEVSA-N	-1	1	347.419	-0.647	20	30		EBEDMM
C=CCCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001099987352	819993950	/nfs/dbraw/zinc/99/39/50/819993950.db2.gz	ZBBCAIWFQGZPSU-CHWSQXEVSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1	ZINC001099999528	820007815	/nfs/dbraw/zinc/00/78/15/820007815.db2.gz	YUTGPLAQDRGANL-QWHCGFSZSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001100020782	820049800	/nfs/dbraw/zinc/04/98/00/820049800.db2.gz	SGRUQSFXARGLLI-VXGBXAGGSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C=CCCC(=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001292390601	820534680	/nfs/dbraw/zinc/53/46/80/820534680.db2.gz	YENKTKYSTBBJTP-UHFFFAOYSA-N	-1	1	330.348	-0.332	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1ccc(C#N)nn1	ZINC001101699126	820883167	/nfs/dbraw/zinc/88/31/67/820883167.db2.gz	KJDCZDWXBAUQDU-UHFFFAOYSA-N	-1	1	345.319	-0.258	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1ccncc1C#N	ZINC001101699140	820883870	/nfs/dbraw/zinc/88/38/70/820883870.db2.gz	LASAKFCEQLNPOJ-UHFFFAOYSA-N	-1	1	344.331	-0.231	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1ccnc(C#N)n1	ZINC001101699379	820884836	/nfs/dbraw/zinc/88/48/36/820884836.db2.gz	XSBXJQKSKPLXHQ-UHFFFAOYSA-N	-1	1	345.319	-0.836	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001102891466	821229021	/nfs/dbraw/zinc/22/90/21/821229021.db2.gz	WYJSQPOAGILZTL-VXGBXAGGSA-N	-1	1	348.407	-0.776	20	30		EBEDMM
C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001103540135	821322722	/nfs/dbraw/zinc/32/27/22/821322722.db2.gz	ZEVOYQKOBUYFCF-CHWSQXEVSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001317306915	822077348	/nfs/dbraw/zinc/07/73/48/822077348.db2.gz	OCJCYIIUFOIQNG-NWDGAFQWSA-N	-1	1	336.396	-0.328	20	30		EBEDMM
C[C@@]1(CNC(=O)c2ncccc2[O-])CN(CC(=O)NCC#N)CCO1	ZINC001107889775	824021474	/nfs/dbraw/zinc/02/14/74/824021474.db2.gz	DANIMQFOZQNNRO-MRXNPFEDSA-N	-1	1	347.375	-0.752	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108444773	824289402	/nfs/dbraw/zinc/28/94/02/824289402.db2.gz	DVACMEYILNHCQV-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])N(C)C	ZINC001180866738	833116474	/nfs/dbraw/zinc/11/64/74/833116474.db2.gz	XBHNQQSTPZTWEF-IUCAKERBSA-N	-1	1	329.359	-0.521	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@H]1CN(Cc2ccccc2)CC1=O	ZINC001181560961	833166157	/nfs/dbraw/zinc/16/61/57/833166157.db2.gz	AMCWXZDIDNNHKD-JTQLQIEISA-N	-1	1	344.331	-0.104	20	30		EBEDMM
C[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@@H]1CNCC#N	ZINC001185491148	833359993	/nfs/dbraw/zinc/35/99/93/833359993.db2.gz	FRYIRDYFGPEVGH-WDEREUQCSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
Cn1[n-]c(CN2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)nc1=O	ZINC001149693579	830731363	/nfs/dbraw/zinc/73/13/63/830731363.db2.gz	AKTYPYCQLSXOEM-ZDUSSCGKSA-N	-1	1	333.392	-0.771	20	30		EBEDMM
Cn1[n-]c(CN2CCCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001149702019	830732273	/nfs/dbraw/zinc/73/22/73/830732273.db2.gz	XKNOBHWVTSTZFH-ZDUSSCGKSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001158186563	831637825	/nfs/dbraw/zinc/63/78/25/831637825.db2.gz	VWXVKOIPASYMIR-GFCCVEGCSA-N	-1	1	349.391	-0.141	20	30		EBEDMM
COCC#CCN(C)C[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001158186563	831637830	/nfs/dbraw/zinc/63/78/30/831637830.db2.gz	VWXVKOIPASYMIR-GFCCVEGCSA-N	-1	1	349.391	-0.141	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001354710948	832514541	/nfs/dbraw/zinc/51/45/41/832514541.db2.gz	OYWGPPKBQKFJQX-GFCCVEGCSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
C=C[C@@H]1C[C@]1(Nc1cnc(CN)nc1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170746628	832523772	/nfs/dbraw/zinc/52/37/72/832523772.db2.gz	AOAKRQLUEOMDSG-YMTOWFKASA-N	-1	1	337.405	-0.100	20	30		EBEDMM
C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325122786	839788865	/nfs/dbraw/zinc/78/88/65/839788865.db2.gz	JIABPNWMBTYSLO-LRDDRELGSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)ccnc1-2	ZINC001332173008	841584775	/nfs/dbraw/zinc/58/47/75/841584775.db2.gz	CSYPTYVTCFIGLF-HNNXBMFYSA-N	-1	1	328.332	-0.843	20	30		EBEDMM
C#CCOCCC(=O)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1	ZINC001334621115	842099968	/nfs/dbraw/zinc/09/99/68/842099968.db2.gz	QTQNKGPSMYSFOP-UHFFFAOYSA-N	-1	1	347.371	-0.480	20	30		EBEDMM
Cn1c(-c2nnn[n-]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1	ZINC001344905814	843345110	/nfs/dbraw/zinc/34/51/10/843345110.db2.gz	HROZBEFCKPQTFV-UHFFFAOYSA-N	-1	1	337.351	-0.412	20	30		EBEDMM
Cn1c(-c2nn[n-]n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1	ZINC001344905814	843345120	/nfs/dbraw/zinc/34/51/20/843345120.db2.gz	HROZBEFCKPQTFV-UHFFFAOYSA-N	-1	1	337.351	-0.412	20	30		EBEDMM
C=C[C@@H](C)[C@@H](C)C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001349339451	843887659	/nfs/dbraw/zinc/88/76/59/843887659.db2.gz	MLAXSSCUVXQXHL-VXGBXAGGSA-N	-1	1	336.392	-0.383	20	30		EBEDMM
C#CC[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc(-c2nn[nH]n2)nc1	ZINC001573285044	946764601	/nfs/dbraw/zinc/76/46/01/946764601.db2.gz	CFMXMKFJFWQJKZ-AWEZNQCLSA-N	-1	1	340.391	-0.113	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573563004	946980476	/nfs/dbraw/zinc/98/04/76/946980476.db2.gz	YQJXUMAZGHLIHC-SNVBAGLBSA-N	-1	1	345.367	-0.297	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573563004	946980481	/nfs/dbraw/zinc/98/04/81/946980481.db2.gz	YQJXUMAZGHLIHC-SNVBAGLBSA-N	-1	1	345.367	-0.297	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573572427	947113218	/nfs/dbraw/zinc/11/32/18/947113218.db2.gz	HPOQCSHNJSRGAD-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573572427	947113224	/nfs/dbraw/zinc/11/32/24/947113224.db2.gz	HPOQCSHNJSRGAD-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573575806	947145055	/nfs/dbraw/zinc/14/50/55/947145055.db2.gz	BDRFEMQITGRCIW-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573575806	947145062	/nfs/dbraw/zinc/14/50/62/947145062.db2.gz	BDRFEMQITGRCIW-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573576824	947157501	/nfs/dbraw/zinc/15/75/01/947157501.db2.gz	JZXDNTHAJBAGTD-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573576824	947157504	/nfs/dbraw/zinc/15/75/04/947157504.db2.gz	JZXDNTHAJBAGTD-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573577157	947161809	/nfs/dbraw/zinc/16/18/09/947161809.db2.gz	MVBQSBVYFWSVSN-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573577157	947161811	/nfs/dbraw/zinc/16/18/11/947161811.db2.gz	MVBQSBVYFWSVSN-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573581907	947184986	/nfs/dbraw/zinc/18/49/86/947184986.db2.gz	AFWAUMGSVFWABP-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573581907	947184994	/nfs/dbraw/zinc/18/49/94/947184994.db2.gz	AFWAUMGSVFWABP-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573584435	947222636	/nfs/dbraw/zinc/22/26/36/947222636.db2.gz	VYSJMKPHLWMPET-JTQLQIEISA-N	-1	1	341.379	-0.063	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001573586396	947287189	/nfs/dbraw/zinc/28/71/89/947287189.db2.gz	PMVVANYFTTZZNZ-SSDOTTSWSA-N	-1	1	342.410	-0.251	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001573586396	947287199	/nfs/dbraw/zinc/28/71/99/947287199.db2.gz	PMVVANYFTTZZNZ-SSDOTTSWSA-N	-1	1	342.410	-0.251	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1	ZINC001573344034	947566923	/nfs/dbraw/zinc/56/69/23/947566923.db2.gz	WXVCOWXWVFVZMC-QWRGUYRKSA-N	-1	1	342.363	-0.351	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1	ZINC001573344034	947566930	/nfs/dbraw/zinc/56/69/30/947566930.db2.gz	WXVCOWXWVFVZMC-QWRGUYRKSA-N	-1	1	342.363	-0.351	20	30		EBEDMM
CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001570927214	948705931	/nfs/dbraw/zinc/70/59/31/948705931.db2.gz	MSBJUCVHQLGTCV-JTQLQIEISA-N	-1	1	327.352	-0.119	20	30		EBEDMM
CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001570927214	948705934	/nfs/dbraw/zinc/70/59/34/948705934.db2.gz	MSBJUCVHQLGTCV-JTQLQIEISA-N	-1	1	327.352	-0.119	20	30		EBEDMM
C[C@H](CC#N)C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001570928081	948724788	/nfs/dbraw/zinc/72/47/88/948724788.db2.gz	LUQBGQDFLAGFNM-SSDOTTSWSA-N	-1	1	330.308	-0.938	20	30		EBEDMM
COc1ncc(NC(=O)N2CC(O)(CC#N)C2)cc1-c1nn[n-]n1	ZINC001570928370	948732192	/nfs/dbraw/zinc/73/21/92/948732192.db2.gz	PKTHTEYQQAKPDN-UHFFFAOYSA-N	-1	1	330.308	-0.237	20	30		EBEDMM
CN(C)C(=O)Cn1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)n1	ZINC001570934286	948932505	/nfs/dbraw/zinc/93/25/05/948932505.db2.gz	CIBDMXAQOHJECG-UHFFFAOYSA-N	-1	1	339.323	-0.443	20	30		EBEDMM
C[C@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCCS1(=O)=O	ZINC001570935567	948986413	/nfs/dbraw/zinc/98/64/13/948986413.db2.gz	RYCSVBOTUKRWNN-LLVKDONJSA-N	-1	1	336.337	-0.633	20	30		EBEDMM
C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001570936049	949010465	/nfs/dbraw/zinc/01/04/65/949010465.db2.gz	XQTDWXHHSNIHHI-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C=CCOC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC	ZINC001573369188	963093827	/nfs/dbraw/zinc/09/38/27/963093827.db2.gz	PIQKQIGYGRGAFG-SNVBAGLBSA-N	-1	1	335.378	-0.095	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001481400019	1125982178	/nfs/dbraw/zinc/98/21/78/1125982178.db2.gz	ORLYVCKBPPEDDG-UONOGXRCSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CN(CC(=O)NCC#N)C1	ZINC001483882160	1126487325	/nfs/dbraw/zinc/48/73/25/1126487325.db2.gz	YDFOLUXDIRNLRG-UHFFFAOYSA-N	-1	1	344.375	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001489781901	1129068264	/nfs/dbraw/zinc/06/82/64/1129068264.db2.gz	ZYKKCDJQZMQOBC-UWVGGRQHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)C#CC(C)(C)C)nc1=O	ZINC001280406398	1130566903	/nfs/dbraw/zinc/56/69/03/1130566903.db2.gz	OSHOEDZAKFOGSC-LBPRGKRZSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
N#CCCN1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1	ZINC001413914852	1130741903	/nfs/dbraw/zinc/74/19/03/1130741903.db2.gz	DJPDFDXCMYJOHB-UHFFFAOYSA-N	-1	1	346.391	-0.004	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001357021712	1131026323	/nfs/dbraw/zinc/02/63/23/1131026323.db2.gz	YOFHYVFRYPGZLF-NSHDSACASA-N	-1	1	344.375	-0.441	20	30		EBEDMM
CN(CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCSC1	ZINC001362690374	1131642366	/nfs/dbraw/zinc/64/23/66/1131642366.db2.gz	SNLRHYQRIFYOJB-NSHDSACASA-N	-1	1	337.405	-0.626	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)s2)c(=O)[nH]c1=O	ZINC001363993514	1132157546	/nfs/dbraw/zinc/15/75/46/1132157546.db2.gz	DFVHVDRHIOCGLD-UHFFFAOYSA-N	-1	1	326.359	-0.102	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(F)c2)c(=O)[nH]c1=O	ZINC001364012176	1132165398	/nfs/dbraw/zinc/16/53/98/1132165398.db2.gz	ZJHBWNPCKFTJFR-UHFFFAOYSA-N	-1	1	338.320	-0.025	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CC23COCCN2CCOC3)o1	ZINC001364914243	1132482511	/nfs/dbraw/zinc/48/25/11/1132482511.db2.gz	NTLAROIVXKTNLE-UHFFFAOYSA-N	-1	1	327.362	-0.469	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c(C(F)(F)F)n1	ZINC000338989446	376634774	/nfs/dbraw/zinc/63/47/74/376634774.db2.gz	SXASIRGRRLXOLV-UHFFFAOYSA-N	-1	1	349.298	-0.119	20	30		EBEDMM
C=CCOCCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000618523292	378450851	/nfs/dbraw/zinc/45/08/51/378450851.db2.gz	BVXGGSOSKGNZMB-UHFFFAOYSA-N	-1	1	345.377	-0.634	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140641	379949713	/nfs/dbraw/zinc/94/97/13/379949713.db2.gz	IANFBAHEGMHNCB-LLVKDONJSA-N	-1	1	332.426	-0.197	20	30		EBEDMM
C#CCN(CC#C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC000075392411	380117519	/nfs/dbraw/zinc/11/75/19/380117519.db2.gz	DXLBSTHJEOYBEW-UHFFFAOYSA-N	-1	1	342.399	-0.057	20	30		EBEDMM
C=CCOC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC	ZINC000360742731	380267797	/nfs/dbraw/zinc/26/77/97/380267797.db2.gz	AJUFORLLNGNAEY-SNVBAGLBSA-N	-1	1	337.332	-0.623	20	30		EBEDMM
COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000566311648	380463500	/nfs/dbraw/zinc/46/35/00/380463500.db2.gz	HPEBGSHTIVGZOL-LBPRGKRZSA-N	-1	1	345.421	-0.527	20	30		EBEDMM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000567593127	380528368	/nfs/dbraw/zinc/52/83/68/380528368.db2.gz	RIPOKGQQLAAHLB-ONGXEEELSA-N	-1	1	329.382	-0.279	20	30		EBEDMM
C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000568254047	380587597	/nfs/dbraw/zinc/58/75/97/380587597.db2.gz	WCKKRYIDLBOTEY-VIFPVBQESA-N	-1	1	335.411	-0.379	20	30		EBEDMM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000351229870	381617441	/nfs/dbraw/zinc/61/74/41/381617441.db2.gz	YVHZTXHBZNRPLD-LBPRGKRZSA-N	-1	1	346.434	-0.602	20	30		EBEDMM
CC(C)(C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)c1c[nH]cn1	ZINC000530271243	420924814	/nfs/dbraw/zinc/92/48/14/420924814.db2.gz	GJMCTHHTLDSGCG-UHFFFAOYSA-N	-1	1	328.332	-0.095	20	30		EBEDMM
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)c([O-])c1	ZINC000442658466	265326192	/nfs/dbraw/zinc/32/61/92/265326192.db2.gz	ZPDVLNCHIAQVKD-GFCCVEGCSA-N	-1	1	330.344	-0.269	20	30		EBEDMM
C#CCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000735376151	582893756	/nfs/dbraw/zinc/89/37/56/582893756.db2.gz	ZMXDLKPDFQOCSK-UHFFFAOYSA-N	-1	1	347.404	-0.409	20	30		EBEDMM
C#CCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000735376151	582893757	/nfs/dbraw/zinc/89/37/57/582893757.db2.gz	ZMXDLKPDFQOCSK-UHFFFAOYSA-N	-1	1	347.404	-0.409	20	30		EBEDMM
C#CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000746289554	583104801	/nfs/dbraw/zinc/10/48/01/583104801.db2.gz	VCIISGWVKANFCN-UHFFFAOYSA-N	-1	1	345.402	-0.861	20	30		EBEDMM
C=CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823919876	583839035	/nfs/dbraw/zinc/83/90/35/583839035.db2.gz	SAGAAOIYVHNUGY-UHFFFAOYSA-N	-1	1	340.340	-0.414	20	30		EBEDMM
COCC#CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000826147480	583883025	/nfs/dbraw/zinc/88/30/25/583883025.db2.gz	YVYIKACLCNRCAT-LBPRGKRZSA-N	-1	1	328.380	-0.183	20	30		EBEDMM
COCC#CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000826147480	583883026	/nfs/dbraw/zinc/88/30/26/583883026.db2.gz	YVYIKACLCNRCAT-LBPRGKRZSA-N	-1	1	328.380	-0.183	20	30		EBEDMM
COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1C#N	ZINC000826197445	583887751	/nfs/dbraw/zinc/88/77/51/583887751.db2.gz	PEFDJHMZXWSHOG-UHFFFAOYSA-N	-1	1	339.319	-0.345	20	30		EBEDMM
N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826380455	583895831	/nfs/dbraw/zinc/89/58/31/583895831.db2.gz	AYXKHKIJVRMWID-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826380455	583895833	/nfs/dbraw/zinc/89/58/33/583895833.db2.gz	AYXKHKIJVRMWID-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#CC(C(=O)CCCCNC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC000833962206	584021352	/nfs/dbraw/zinc/02/13/52/584021352.db2.gz	XWQWYDDOVNUVNG-JTQLQIEISA-N	-1	1	345.377	-0.610	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000941967790	653009106	/nfs/dbraw/zinc/00/91/06/653009106.db2.gz	UHXFYKBRDWDNJU-CMPLNLGQSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C#CCN1CCC2(CC1)CN(C(=O)c1cnc([O-])n(C)c1=O)CCO2	ZINC000949154120	653814364	/nfs/dbraw/zinc/81/43/64/653814364.db2.gz	PNRWFIKUNUNYGE-UHFFFAOYSA-N	-1	1	346.387	-0.574	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)C#N)C1	ZINC000957219922	722176297	/nfs/dbraw/zinc/17/62/97/722176297.db2.gz	PJMPKBJGDOQGLX-GLEZIHRCSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC000958368959	722353300	/nfs/dbraw/zinc/35/33/00/722353300.db2.gz	FJPNWMSEIVBFID-KBPBESRZSA-N	-1	1	349.435	-0.236	20	30		EBEDMM
CC#CCN1C[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1	ZINC000958468482	722371788	/nfs/dbraw/zinc/37/17/88/722371788.db2.gz	YKPFPHSOBOLJRW-DGCLKSJQSA-N	-1	1	329.360	-0.932	20	30		EBEDMM
C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000960277738	722813249	/nfs/dbraw/zinc/81/32/49/722813249.db2.gz	FZQOJUUULFXIST-JYAVWHMHSA-N	-1	1	342.403	-0.044	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1	ZINC000963250691	723396726	/nfs/dbraw/zinc/39/67/26/723396726.db2.gz	RQFWIEGQORLDKC-FXAINCCUSA-N	-1	1	345.359	-0.479	20	30		EBEDMM
C=CCCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC000972450625	725526314	/nfs/dbraw/zinc/52/63/14/725526314.db2.gz	XDRIHJADXJBOBX-HNNXBMFYSA-N	-1	1	335.364	-0.224	20	30		EBEDMM
C=CCCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC000972450627	725526565	/nfs/dbraw/zinc/52/65/65/725526565.db2.gz	XDRIHJADXJBOBX-OAHLLOKOSA-N	-1	1	335.364	-0.224	20	30		EBEDMM
C=CCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC000972637946	725568514	/nfs/dbraw/zinc/56/85/14/725568514.db2.gz	GHONKHXZLBAQRD-MRXNPFEDSA-N	-1	1	344.375	-0.480	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nc1=O	ZINC000974473951	726028408	/nfs/dbraw/zinc/02/84/08/726028408.db2.gz	WDXLZEXEEOHWKR-LBPRGKRZSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C=C[C@](C)(CC)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996403796	726387773	/nfs/dbraw/zinc/38/77/73/726387773.db2.gz	ATGQVRNHZVMGMA-MRXNPFEDSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001008792658	726804615	/nfs/dbraw/zinc/80/46/15/726804615.db2.gz	GKCWGMCQUKOUAW-NSHDSACASA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001028126211	730268341	/nfs/dbraw/zinc/26/83/41/730268341.db2.gz	HLPMYTGNZXZXNI-CQSZACIVSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032677630	730908563	/nfs/dbraw/zinc/90/85/63/730908563.db2.gz	ONXQSSCDTQSNNM-ABHRYQDASA-N	-1	1	347.419	-0.125	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001033593700	731045297	/nfs/dbraw/zinc/04/52/97/731045297.db2.gz	PIJMEJCMKBWLBR-CYBMUJFWSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038266817	731300819	/nfs/dbraw/zinc/30/08/19/731300819.db2.gz	NJOPLGONMHINBA-UPJWGTAASA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039718724	731502791	/nfs/dbraw/zinc/50/27/91/731502791.db2.gz	GZNBAOYEMDZLDH-KRWDZBQOSA-N	-1	1	347.371	-0.480	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039722577	731506685	/nfs/dbraw/zinc/50/66/85/731506685.db2.gz	XDAIMYAJSXEGFW-SJKOYZFVSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001061522687	738582194	/nfs/dbraw/zinc/58/21/94/738582194.db2.gz	BCEWKQHLDMMPAW-LBPRGKRZSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)c1	ZINC001042713263	732547179	/nfs/dbraw/zinc/54/71/79/732547179.db2.gz	QQSLGDGNSAFWHS-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001049788559	734790588	/nfs/dbraw/zinc/79/05/88/734790588.db2.gz	OEPJZKZHXUMAMP-CHWSQXEVSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
N#Cc1cc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001051563249	735235059	/nfs/dbraw/zinc/23/50/59/735235059.db2.gz	QZHAUCNXPNCMAA-LLVKDONJSA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C=C(C)CN1CC2(C1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CCO2	ZINC001053474556	735889556	/nfs/dbraw/zinc/88/95/56/735889556.db2.gz	NLBWBYVWJFAQRS-UHFFFAOYSA-N	-1	1	348.403	-0.584	20	30		EBEDMM
Cc1n[nH]c(C(=O)NC2CCN(CCNC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001055629531	736414499	/nfs/dbraw/zinc/41/44/99/736414499.db2.gz	CLHNILZTEXQNHZ-JTQLQIEISA-N	-1	1	348.407	-0.106	20	30		EBEDMM
N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ncccc2[O-])[nH]1	ZINC001057410540	737230645	/nfs/dbraw/zinc/23/06/45/737230645.db2.gz	RHGOITBMPWGRSW-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057583252	737342818	/nfs/dbraw/zinc/34/28/18/737342818.db2.gz	LEJYTNPLDUMTGO-LBPRGKRZSA-N	-1	1	335.360	-0.624	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071229409	741095403	/nfs/dbraw/zinc/09/54/03/741095403.db2.gz	PEGZHVRPTWKVGX-NWDGAFQWSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071786828	741216455	/nfs/dbraw/zinc/21/64/55/741216455.db2.gz	JNPOKQYPDZMFJJ-OLZOCXBDSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001071936671	741252837	/nfs/dbraw/zinc/25/28/37/741252837.db2.gz	RVZOFYUMFLFJGT-NEPJUHHUSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001077999643	743406302	/nfs/dbraw/zinc/40/63/02/743406302.db2.gz	UIIYQYSRPWPVAB-HTQZYQBOSA-N	-1	1	344.755	-0.576	20	30		EBEDMM
C#CCN1CCCC2(CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC000981867934	806311322	/nfs/dbraw/zinc/31/13/22/806311322.db2.gz	PWOBAUPGPWBVMW-UHFFFAOYSA-N	-1	1	331.376	-0.227	20	30		EBEDMM
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219702983	810801214	/nfs/dbraw/zinc/80/12/14/810801214.db2.gz	PARRFJSBFREDJQ-ZJUUUORDSA-N	-1	1	343.815	-0.452	20	30		EBEDMM
N#CCN1CC2(C1)CCN(C(=O)c1cc(=O)n3[n-]cnc3n1)CC2	ZINC001035836208	811036266	/nfs/dbraw/zinc/03/62/66/811036266.db2.gz	ILMKXFCQXXZILI-UHFFFAOYSA-N	-1	1	327.348	-0.521	20	30		EBEDMM
N#CCN1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC[C@H]21	ZINC001036869807	811297366	/nfs/dbraw/zinc/29/73/66/811297366.db2.gz	KPADAZBZOMPEHS-CMPLNLGQSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC001079541783	811584080	/nfs/dbraw/zinc/58/40/80/811584080.db2.gz	DEZVCHPZCLGEBB-BXKDBHETSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222671227	811653898	/nfs/dbraw/zinc/65/38/98/811653898.db2.gz	UXNTWWKOFHLJLD-KGLIPLIRSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4nccc(/C=N/[O-])n4)C(=O)O[C@@H]3[C@H]2O1	ZINC001226256245	811855679	/nfs/dbraw/zinc/85/56/79/811855679.db2.gz	PABYNRNHLOIENI-NUDCYUEBSA-N	-1	1	337.288	-0.166	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001226884995	811888644	/nfs/dbraw/zinc/88/86/44/811888644.db2.gz	UOQGILNBFRAKMF-NSHDSACASA-N	-1	1	333.392	-0.244	20	30		EBEDMM
C#CC[C@H](C)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473488	811924903	/nfs/dbraw/zinc/92/49/03/811924903.db2.gz	LORRJEPIMWNZDL-YFKPBYRVSA-N	-1	1	333.260	-0.883	20	30		EBEDMM
C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081569762	813204253	/nfs/dbraw/zinc/20/42/53/813204253.db2.gz	SYYXQOHGIZZGGX-JSGCOSHPSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001265190752	813256149	/nfs/dbraw/zinc/25/61/49/813256149.db2.gz	ZVSKQNPRCQXMED-MRXNPFEDSA-N	-1	1	337.424	-0.142	20	30		EBEDMM
C=CCn1cc(C(=O)NCCN(CC)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001267252205	813803555	/nfs/dbraw/zinc/80/35/55/813803555.db2.gz	GNXYSWKMMCYOJE-UHFFFAOYSA-N	-1	1	334.384	-0.862	20	30		EBEDMM
C=C(Cl)CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269073282	814517184	/nfs/dbraw/zinc/51/71/84/814517184.db2.gz	MDOFRVVMXYAUPI-NSHDSACASA-N	-1	1	326.784	-0.130	20	30		EBEDMM
C#CCN1c2ccccc2[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269575939	814732539	/nfs/dbraw/zinc/73/25/39/814732539.db2.gz	BSUQMJLBWJPDKO-KRWDZBQOSA-N	-1	1	336.355	-0.108	20	30		EBEDMM
C=C(C)CN1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2	ZINC001269578118	814735661	/nfs/dbraw/zinc/73/56/61/814735661.db2.gz	SOHSMXVOTCCVOW-HNNXBMFYSA-N	-1	1	334.380	-0.604	20	30		EBEDMM
N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)Cc2nn[n-]n2)CCC1	ZINC001270789441	815892954	/nfs/dbraw/zinc/89/29/54/815892954.db2.gz	PZLVYSGOYCUWQI-XXSPCDMZSA-N	-1	1	343.391	-0.164	20	30		EBEDMM
N#CC1(NC(=O)[C@H]2CCC3(CN(C(=O)Cc4nn[n-]n4)C3)O2)CCC1	ZINC001270789714	815893791	/nfs/dbraw/zinc/89/37/91/815893791.db2.gz	VLKVBSYRXKJROG-SNVBAGLBSA-N	-1	1	345.363	-0.935	20	30		EBEDMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cc(C#N)c[nH]1	ZINC001085534825	816067385	/nfs/dbraw/zinc/06/73/85/816067385.db2.gz	UJYIGCDMCMZEDN-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C=CCN1CC2(CN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)OCC1=O	ZINC001271555517	816141105	/nfs/dbraw/zinc/14/11/05/816141105.db2.gz	BOCOMRIQZNBNBM-UHFFFAOYSA-N	-1	1	336.373	-0.290	20	30		EBEDMM
N#CCN[C@H]1CCCCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001088399304	816676876	/nfs/dbraw/zinc/67/68/76/816676876.db2.gz	HSALAELEMLHNIK-ZDUSSCGKSA-N	-1	1	333.392	-0.189	20	30		EBEDMM
COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC001274634467	817048458	/nfs/dbraw/zinc/04/84/58/817048458.db2.gz	QEHIKAXTNMYECK-MNOVXSKESA-N	-1	1	335.364	-0.485	20	30		EBEDMM
Cc1cc(C#N)nc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001093739086	818092407	/nfs/dbraw/zinc/09/24/07/818092407.db2.gz	PDGRKLNKURICII-UHFFFAOYSA-N	-1	1	343.347	-0.875	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)c2cc(=O)n3[n-]cnc3n2)nc1	ZINC001094502654	818278797	/nfs/dbraw/zinc/27/87/97/818278797.db2.gz	UKQMREMOAWVQQE-UHFFFAOYSA-N	-1	1	338.331	-0.084	20	30		EBEDMM
N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001095036736	818551477	/nfs/dbraw/zinc/55/14/77/818551477.db2.gz	HAUULQXJFJZPJN-AXFHLTTASA-N	-1	1	327.348	-0.476	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1ccncc1C#N	ZINC001097952209	819063053	/nfs/dbraw/zinc/06/30/53/819063053.db2.gz	NVGQUULBUZKLBX-QMMMGPOBSA-N	-1	1	344.331	-0.185	20	30		EBEDMM
C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001284493089	819255615	/nfs/dbraw/zinc/25/56/15/819255615.db2.gz	RQZZBZVYMASGMY-LBPRGKRZSA-N	-1	1	336.392	-0.546	20	30		EBEDMM
C#CCCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099960033	819965628	/nfs/dbraw/zinc/96/56/28/819965628.db2.gz	NDZCLVTXCBSPPF-UONOGXRCSA-N	-1	1	349.435	-0.257	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ncccc2[O-])nc1	ZINC001287815250	820156745	/nfs/dbraw/zinc/15/67/45/820156745.db2.gz	FOMAVUMKZAOBPY-GFCCVEGCSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001287914072	820194020	/nfs/dbraw/zinc/19/40/20/820194020.db2.gz	YYGFYVBHAAUUCY-OLZOCXBDSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
CN(CCNc1ccc(C#N)nc1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699283	820884077	/nfs/dbraw/zinc/88/40/77/820884077.db2.gz	RPHUGWOIAOTGLV-UHFFFAOYSA-N	-1	1	338.331	-0.132	20	30		EBEDMM
C=C[C@H](CC)CC(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297124760	821325016	/nfs/dbraw/zinc/32/50/16/821325016.db2.gz	VTSTYCFUUIJDFX-GFCCVEGCSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
CC#CCCCC(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001298678670	821585262	/nfs/dbraw/zinc/58/52/62/821585262.db2.gz	FOYVIYIDBDUDGQ-CYBMUJFWSA-N	-1	1	348.403	-0.259	20	30		EBEDMM
C[C@H](CNc1cncc(C#N)n1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107837678	823994794	/nfs/dbraw/zinc/99/47/94/823994794.db2.gz	UKUAVIDEFIHWSA-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
CC#CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108340534	824227465	/nfs/dbraw/zinc/22/74/65/824227465.db2.gz	DFTKKBSYOAOXCM-INIZCTEOSA-N	-1	1	344.375	-0.738	20	30		EBEDMM
C=CCN1CCO[C@@](C)(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001108341362	824229303	/nfs/dbraw/zinc/22/93/03/824229303.db2.gz	YASCAYWSNHQVCJ-HNNXBMFYSA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001114143956	826148020	/nfs/dbraw/zinc/14/80/20/826148020.db2.gz	XNCITRZBTNYWTP-NNYUYHANSA-N	-1	1	331.376	-0.778	20	30		EBEDMM
C[C@@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])N(C)C	ZINC001180866737	833116570	/nfs/dbraw/zinc/11/65/70/833116570.db2.gz	XBHNQQSTPZTWEF-DTWKUNHWSA-N	-1	1	329.359	-0.521	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@@H]1CN(Cc2ccccc2)CC1=O	ZINC001181560962	833165555	/nfs/dbraw/zinc/16/55/55/833165555.db2.gz	AMCWXZDIDNNHKD-SNVBAGLBSA-N	-1	1	344.331	-0.104	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)Cn1c(=O)cnc2ccccc21	ZINC001182943187	833269817	/nfs/dbraw/zinc/26/98/17/833269817.db2.gz	MCEVCCJVRRLPBR-UHFFFAOYSA-N	-1	1	329.276	-0.395	20	30		EBEDMM
C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131826290	829234378	/nfs/dbraw/zinc/23/43/78/829234378.db2.gz	OQUKJJKDZPUOLW-MNOVXSKESA-N	-1	1	338.437	-0.166	20	30		EBEDMM
C#CCNC(=O)CN1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC001147386955	830333000	/nfs/dbraw/zinc/33/30/00/830333000.db2.gz	NLUPMEVWOYNTHE-UHFFFAOYSA-N	-1	1	328.372	-0.316	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147530953	830356606	/nfs/dbraw/zinc/35/66/06/830356606.db2.gz	SUONXCYXZKBTRE-GFCCVEGCSA-N	-1	1	333.392	-0.819	20	30		EBEDMM
Cc1nn[nH]c1C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001147577488	830366309	/nfs/dbraw/zinc/36/63/09/830366309.db2.gz	QJMPSGFMPNQSBG-SSDOTTSWSA-N	-1	1	339.314	-0.731	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149431613	830663326	/nfs/dbraw/zinc/66/33/26/830663326.db2.gz	LMYULOCCJNVLMZ-GFCCVEGCSA-N	-1	1	339.396	-0.982	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1cnc2c(c1)NC(=O)CS2	ZINC001154627346	831356056	/nfs/dbraw/zinc/35/60/56/831356056.db2.gz	DYIKNUSKPURHPS-UHFFFAOYSA-N	-1	1	335.305	-0.052	20	30		EBEDMM
C#CCCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001212143127	837553603	/nfs/dbraw/zinc/55/36/03/837553603.db2.gz	AMVIEZQZUSDJHI-CHWSQXEVSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C#CCOCCC(=O)NCCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001160112717	831816345	/nfs/dbraw/zinc/81/63/45/831816345.db2.gz	UPZNEGKVTAFZOR-UHFFFAOYSA-N	-1	1	347.419	-0.213	20	30		EBEDMM
C#C[C@@H](CO)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC001351025906	832211724	/nfs/dbraw/zinc/21/17/24/832211724.db2.gz	VDTIHMYQPPIFFB-LBPRGKRZSA-N	-1	1	334.376	-0.630	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNC(=O)C#CC1CC1	ZINC001354377444	832481267	/nfs/dbraw/zinc/48/12/67/832481267.db2.gz	WDQMHMCYBZZAMA-MRVPVSSYSA-N	-1	1	334.332	-0.456	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001354710949	832514438	/nfs/dbraw/zinc/51/44/38/832514438.db2.gz	OYWGPPKBQKFJQX-LBPRGKRZSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
COCC#CCN1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001197809786	835611148	/nfs/dbraw/zinc/61/11/48/835611148.db2.gz	IMIHKHUKCIJWJI-UHFFFAOYSA-N	-1	1	344.375	-0.785	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001213966059	837910497	/nfs/dbraw/zinc/91/04/97/837910497.db2.gz	IIPZEMFJJNFKEO-IJLUTSLNSA-N	-1	1	339.396	-0.985	20	30		EBEDMM
C=CCOCC(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1	ZINC001323843839	839541532	/nfs/dbraw/zinc/54/15/32/839541532.db2.gz	GYRMVSKEZPSPIK-INIZCTEOSA-N	-1	1	335.408	-0.265	20	30		EBEDMM
C#CCCCCC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325084469	839773996	/nfs/dbraw/zinc/77/39/96/839773996.db2.gz	XTAVVOKEQARQQE-MRXNPFEDSA-N	-1	1	335.408	-0.645	20	30		EBEDMM
C#CCCCCC(=O)NC[C@@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001326624679	840153454	/nfs/dbraw/zinc/15/34/54/840153454.db2.gz	BDNWTMOLMCNZBY-CYBMUJFWSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1	ZINC001334995752	842165138	/nfs/dbraw/zinc/16/51/38/842165138.db2.gz	BTGZSFNAPBOLRM-LLVKDONJSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337313447	842601002	/nfs/dbraw/zinc/60/10/02/842601002.db2.gz	RCGVOTLCSLFLHN-CYBMUJFWSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
C#CCN1CCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)CC1	ZINC001347503283	843623589	/nfs/dbraw/zinc/62/35/89/843623589.db2.gz	SMZWZDBSNYPROZ-UHFFFAOYSA-N	-1	1	329.412	-0.207	20	30		EBEDMM
CC(C)(C)C#CC(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001348930927	843772468	/nfs/dbraw/zinc/77/24/68/843772468.db2.gz	IIKGHYRALKMEAH-UHFFFAOYSA-N	-1	1	330.348	-0.687	20	30		EBEDMM
C=C[C@H](C)[C@H](C)C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001349339450	843888031	/nfs/dbraw/zinc/88/80/31/843888031.db2.gz	MLAXSSCUVXQXHL-RYUDHWBXSA-N	-1	1	336.392	-0.383	20	30		EBEDMM
CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C[C@H]2C1	ZINC001573454254	945871178	/nfs/dbraw/zinc/87/11/78/945871178.db2.gz	VKIKLTCSZTZCOA-AOOOYVTPSA-N	-1	1	325.336	-0.557	20	30		EBEDMM
CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C[C@H]2C1	ZINC001573454254	945871192	/nfs/dbraw/zinc/87/11/92/945871192.db2.gz	VKIKLTCSZTZCOA-AOOOYVTPSA-N	-1	1	325.336	-0.557	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573286816	946819830	/nfs/dbraw/zinc/81/98/30/946819830.db2.gz	ITVWBCFLUHGUFG-MXWKQRLJSA-N	-1	1	342.363	-0.246	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573286816	946819840	/nfs/dbraw/zinc/81/98/40/946819840.db2.gz	ITVWBCFLUHGUFG-MXWKQRLJSA-N	-1	1	342.363	-0.246	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCNc2ccnc(-c3nn[n-]n3)n2)nc1	ZINC001573288436	946866055	/nfs/dbraw/zinc/86/60/55/946866055.db2.gz	QISXNFAZMLULAN-UHFFFAOYSA-N	-1	1	335.331	-0.703	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573560726	946956484	/nfs/dbraw/zinc/95/64/84/946956484.db2.gz	FOJNYUBWLAAPQT-ZJUUUORDSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573561187	946960676	/nfs/dbraw/zinc/96/06/76/946960676.db2.gz	IWGHFDMDLFOEMX-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573561187	946960684	/nfs/dbraw/zinc/96/06/84/946960684.db2.gz	IWGHFDMDLFOEMX-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564101	946987561	/nfs/dbraw/zinc/98/75/61/946987561.db2.gz	FRWGZTBWTDDTFO-GHMZBOCLSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566342	947023668	/nfs/dbraw/zinc/02/36/68/947023668.db2.gz	BJYNQRKLQSLYJL-MNOVXSKESA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573571084	947098755	/nfs/dbraw/zinc/09/87/55/947098755.db2.gz	YZBDOZJPLALXOM-BJOHPYRUSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573628	947123131	/nfs/dbraw/zinc/12/31/31/947123131.db2.gz	OPDSLQHLWIPMBP-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573628	947123137	/nfs/dbraw/zinc/12/31/37/947123137.db2.gz	OPDSLQHLWIPMBP-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573619	947124074	/nfs/dbraw/zinc/12/40/74/947124074.db2.gz	OPDSLQHLWIPMBP-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573619	947124079	/nfs/dbraw/zinc/12/40/79/947124079.db2.gz	OPDSLQHLWIPMBP-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573575805	947146274	/nfs/dbraw/zinc/14/62/74/947146274.db2.gz	BDRFEMQITGRCIW-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573575805	947146280	/nfs/dbraw/zinc/14/62/80/947146280.db2.gz	BDRFEMQITGRCIW-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573577147	947162249	/nfs/dbraw/zinc/16/22/49/947162249.db2.gz	MTGNXIKIFDMWKN-SCZZXKLOSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573577194	947163329	/nfs/dbraw/zinc/16/33/29/947163329.db2.gz	NFDNMGDUHYBGGE-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573577194	947163336	/nfs/dbraw/zinc/16/33/36/947163336.db2.gz	NFDNMGDUHYBGGE-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573581908	947184965	/nfs/dbraw/zinc/18/49/65/947184965.db2.gz	AFWAUMGSVFWABP-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573581908	947184969	/nfs/dbraw/zinc/18/49/69/947184969.db2.gz	AFWAUMGSVFWABP-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573309428	947198925	/nfs/dbraw/zinc/19/89/25/947198925.db2.gz	IUCNWVYIRAFDSH-ZUZCIYMTSA-N	-1	1	346.395	-0.288	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC001573585525	947259947	/nfs/dbraw/zinc/25/99/47/947259947.db2.gz	RQMXEHCTTVZMSX-IVZWLZJFSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC001573585525	947259957	/nfs/dbraw/zinc/25/99/57/947259957.db2.gz	RQMXEHCTTVZMSX-IVZWLZJFSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C	ZINC001573586404	947289295	/nfs/dbraw/zinc/28/92/95/947289295.db2.gz	PPQRZMDWHAEEDL-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C	ZINC001573586404	947289308	/nfs/dbraw/zinc/28/93/08/947289308.db2.gz	PPQRZMDWHAEEDL-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573328089	947401866	/nfs/dbraw/zinc/40/18/66/947401866.db2.gz	RDKPTGZRHHUEMM-NSHDSACASA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573328089	947401875	/nfs/dbraw/zinc/40/18/75/947401875.db2.gz	RDKPTGZRHHUEMM-NSHDSACASA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573342908	947550636	/nfs/dbraw/zinc/55/06/36/947550636.db2.gz	GWJGCLXUMGLTSL-NSHDSACASA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573342908	947550644	/nfs/dbraw/zinc/55/06/44/947550644.db2.gz	GWJGCLXUMGLTSL-NSHDSACASA-N	-1	1	344.379	-0.056	20	30		EBEDMM
CC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001573441106	948264219	/nfs/dbraw/zinc/26/42/19/948264219.db2.gz	FGTSHFLXTZPMAB-VIFPVBQESA-N	-1	1	329.324	-0.199	20	30		EBEDMM
Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC001570934072	948921383	/nfs/dbraw/zinc/92/13/83/948921383.db2.gz	XIXFGCCNAABPBF-MRVPVSSYSA-N	-1	1	335.349	-0.753	20	30		EBEDMM
C[C@@H]1CS(=O)(=O)CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1	ZINC001570934666	948947965	/nfs/dbraw/zinc/94/79/65/948947965.db2.gz	MBKWNPLEGXBYOR-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CS1(=O)=O	ZINC001570935129	948969605	/nfs/dbraw/zinc/96/96/05/948969605.db2.gz	PYHMYXGZMPXISW-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CS1(=O)=O	ZINC001570935132	948970295	/nfs/dbraw/zinc/97/02/95/948970295.db2.gz	PYHMYXGZMPXISW-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
CCCn1nccc1NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N	ZINC001570940462	949184066	/nfs/dbraw/zinc/18/40/66/949184066.db2.gz	LVHOTXHULAALOX-UHFFFAOYSA-N	-1	1	341.339	-0.238	20	30		EBEDMM
COc1cc(C#N)ccc1Oc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570942596	949297243	/nfs/dbraw/zinc/29/72/43/949297243.db2.gz	RAPSLHSQHVBUAS-UHFFFAOYSA-N	-1	1	341.287	-0.074	20	30		EBEDMM
C[C@@]1(C#N)CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575526334	949367450	/nfs/dbraw/zinc/36/74/50/949367450.db2.gz	XRLYFMFCJOBGDV-AWEZNQCLSA-N	-1	1	344.335	-0.719	20	30		EBEDMM
C[C@@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001576214603	950680243	/nfs/dbraw/zinc/68/02/43/950680243.db2.gz	QPOKEWYWXSSQAA-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001576214603	950680257	/nfs/dbraw/zinc/68/02/57/950680257.db2.gz	QPOKEWYWXSSQAA-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C#CCNC(=O)CNCc1ccc(CNC(=O)CNC(=O)[O-])cc1	ZINC001573311516	962705140	/nfs/dbraw/zinc/70/51/40/962705140.db2.gz	SCXUWSLAYFBBTF-UHFFFAOYSA-N	-1	1	332.360	-0.591	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001592221391	977398574	/nfs/dbraw/zinc/39/85/74/977398574.db2.gz	FBVWMIVKFROBPO-RYUDHWBXSA-N	-1	1	332.426	-0.054	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001592221392	977398757	/nfs/dbraw/zinc/39/87/57/977398757.db2.gz	FBVWMIVKFROBPO-VXGBXAGGSA-N	-1	1	332.426	-0.054	20	30		EBEDMM
C[C@H](C(=O)N(C)CCC#N)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001589339972	986244209	/nfs/dbraw/zinc/24/42/09/986244209.db2.gz	PSGSOVBIDGIYMZ-CZUORRHYSA-N	-1	1	338.408	-0.392	20	30		EBEDMM
CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1	ZINC001589620413	987495254	/nfs/dbraw/zinc/49/52/54/987495254.db2.gz	CPAQGIZPDYYWIT-UHFFFAOYSA-N	-1	1	336.392	-0.196	20	30		EBEDMM
CN(C)CC#CCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001598197048	990804015	/nfs/dbraw/zinc/80/40/15/990804015.db2.gz	PKZJFUMXJSVMJM-GFCCVEGCSA-N	-1	1	334.380	-0.112	20	30		EBEDMM
COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC001598824179	996363156	/nfs/dbraw/zinc/36/31/56/996363156.db2.gz	YZWSDLRUPROSLJ-ZIAGYGMSSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
COCC#CCN1CCC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001691086136	1125831536	/nfs/dbraw/zinc/83/15/36/1125831536.db2.gz	MSCZIMLGLJMMIX-GFCCVEGCSA-N	-1	1	349.391	-0.554	20	30		EBEDMM
COCC#CCN(CCNC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001481189800	1125935918	/nfs/dbraw/zinc/93/59/18/1125935918.db2.gz	ZVSNMERHDXIZEX-UHFFFAOYSA-N	-1	1	343.387	-0.133	20	30		EBEDMM
COCC#CCN(C)CCN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001482609876	1126236569	/nfs/dbraw/zinc/23/65/69/1126236569.db2.gz	JIEWHCIKCRATND-UHFFFAOYSA-N	-1	1	337.380	-0.745	20	30		EBEDMM
C#CCOc1ccc(C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)cc1	ZINC001482776790	1126285918	/nfs/dbraw/zinc/28/59/18/1126285918.db2.gz	HNHRZXNZEVHYPV-GFCCVEGCSA-N	-1	1	345.359	-0.597	20	30		EBEDMM
Cc1[nH]nc(C(=O)N2CCC[C@@H](CN(C)CC(=O)NCC#N)C2)c1[O-]	ZINC001490756935	1129253958	/nfs/dbraw/zinc/25/39/58/1129253958.db2.gz	ZXISUNCTIWOHKX-LBPRGKRZSA-N	-1	1	348.407	-0.153	20	30		EBEDMM
CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361870265	1131470244	/nfs/dbraw/zinc/47/02/44/1131470244.db2.gz	RFXWUBIMYJLPCX-CYBMUJFWSA-N	-1	1	349.391	-0.706	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)CN1CCO	ZINC001363448768	1131954101	/nfs/dbraw/zinc/95/41/01/1131954101.db2.gz	HQWCGSCPTQMMKX-VXGBXAGGSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
CC[C@@](COC)([N-]S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC	ZINC001363953387	1132141374	/nfs/dbraw/zinc/14/13/74/1132141374.db2.gz	ZDOWNZYFIXYAKO-PWSUYJOCSA-N	-1	1	335.382	-0.987	20	30		EBEDMM
CNC(=O)C1(NCc2cc(=O)n3[n-]cc(C#N)c3n2)CCOCC1	ZINC001365335913	1132628068	/nfs/dbraw/zinc/62/80/68/1132628068.db2.gz	ATFVROKNBNJIGI-UHFFFAOYSA-N	-1	1	330.348	-0.309	20	30		EBEDMM
C=C(Br)CN[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001371255800	1135873321	/nfs/dbraw/zinc/87/33/21/1135873321.db2.gz	FYLRTIMAFGOKNW-LURJTMIESA-N	-1	1	332.158	-0.101	20	30		EBEDMM
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([O-])cc(C#N)c1	ZINC000589178072	377404427	/nfs/dbraw/zinc/40/44/27/377404427.db2.gz	WLKRUFXXQSATSY-CYBMUJFWSA-N	-1	1	330.344	-0.269	20	30		EBEDMM
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([O-])cc(C#N)c1	ZINC000589178073	377405056	/nfs/dbraw/zinc/40/50/56/377405056.db2.gz	WLKRUFXXQSATSY-ZDUSSCGKSA-N	-1	1	330.344	-0.269	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000563226837	378784649	/nfs/dbraw/zinc/78/46/49/378784649.db2.gz	QGJAGYIWEAYFGE-LLVKDONJSA-N	-1	1	345.381	-0.898	20	30		EBEDMM
COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000554429986	379197597	/nfs/dbraw/zinc/19/75/97/379197597.db2.gz	AIGOCTQLMCNWOM-NSHDSACASA-N	-1	1	343.361	-0.697	20	30		EBEDMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1	ZINC000030360098	379239665	/nfs/dbraw/zinc/23/96/65/379239665.db2.gz	RFOHKXFHUDMAGD-JTQLQIEISA-N	-1	1	348.384	-0.005	20	30		EBEDMM
C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)(C)C	ZINC000491674985	379612722	/nfs/dbraw/zinc/61/27/22/379612722.db2.gz	YJEWGWIXYNIJBA-SNVBAGLBSA-N	-1	1	341.389	-0.179	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000294756909	380512565	/nfs/dbraw/zinc/51/25/65/380512565.db2.gz	XZGYMJPKDYMKIW-SECBINFHSA-N	-1	1	328.398	-0.386	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)co1	ZINC000330469862	380823160	/nfs/dbraw/zinc/82/31/60/380823160.db2.gz	ZUCDHQLENBHSMV-VIFPVBQESA-N	-1	1	345.377	-0.260	20	30		EBEDMM
COC(=O)c1coc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c1	ZINC000352643031	381237364	/nfs/dbraw/zinc/23/73/64/381237364.db2.gz	DIQAECVLCAVTBT-UHFFFAOYSA-N	-1	1	325.306	-0.492	20	30		EBEDMM
CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344777381	156263329	/nfs/dbraw/zinc/26/33/29/156263329.db2.gz	UVLYWTHBCKAPLK-IUCAKERBSA-N	-1	1	343.361	-0.114	20	30		EBEDMM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc2cncn2c1	ZINC000793144461	583564240	/nfs/dbraw/zinc/56/42/40/583564240.db2.gz	RSFNNIDNBWGAOK-ZDUSSCGKSA-N	-1	1	346.368	-0.086	20	30		EBEDMM
C#CCN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CCS(=O)(=O)C1	ZINC000806492966	583650722	/nfs/dbraw/zinc/65/07/22/583650722.db2.gz	RKMWDCJEVRZABL-LLVKDONJSA-N	-1	1	347.400	-0.004	20	30		EBEDMM
CN1C(=O)C(=NNC=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000814319189	583705327	/nfs/dbraw/zinc/70/53/27/583705327.db2.gz	SIDUQZGHLIWZOB-UHFFFAOYSA-N	-1	1	329.341	-0.629	20	30		EBEDMM
C#CCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C#N	ZINC000823861284	583838223	/nfs/dbraw/zinc/83/82/23/583838223.db2.gz	CKTRHLRKAZJIQR-UHFFFAOYSA-N	-1	1	349.335	-0.657	20	30		EBEDMM
C#CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C#N	ZINC000823861284	583838224	/nfs/dbraw/zinc/83/82/24/583838224.db2.gz	CKTRHLRKAZJIQR-UHFFFAOYSA-N	-1	1	349.335	-0.657	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCOC[C@H]1C1CC1	ZINC000826382437	583895624	/nfs/dbraw/zinc/89/56/24/583895624.db2.gz	DWQKCPTZTJKISX-JTQLQIEISA-N	-1	1	343.351	-0.846	20	30		EBEDMM
N#CCc1ccc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)cc1	ZINC000826382671	583895664	/nfs/dbraw/zinc/89/56/64/583895664.db2.gz	PQBVKJQEZJNZPW-LLVKDONJSA-N	-1	1	326.320	-0.036	20	30		EBEDMM
CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000848957625	584164677	/nfs/dbraw/zinc/16/46/77/584164677.db2.gz	RLFDKSPVOFQVDX-UHFFFAOYSA-N	-1	1	348.406	-0.092	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000941662484	652863785	/nfs/dbraw/zinc/86/37/85/652863785.db2.gz	AHJKKNWOOALLIV-JGVFFNPUSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000951710737	654254026	/nfs/dbraw/zinc/25/40/26/654254026.db2.gz	WZCBDKWOYTWURU-JSGCOSHPSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000965899885	724536107	/nfs/dbraw/zinc/53/61/07/724536107.db2.gz	IFLNYGADXFASQC-MFKMUULPSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000965916929	724539825	/nfs/dbraw/zinc/53/98/25/724539825.db2.gz	NBISKVXVMOHABB-GWCFXTLKSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CCC(NCC#N)CC1	ZINC000964184725	723866753	/nfs/dbraw/zinc/86/67/53/723866753.db2.gz	HHJVFUIGFTVDPP-UHFFFAOYSA-N	-1	1	329.364	-0.086	20	30		EBEDMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC000968155598	724970852	/nfs/dbraw/zinc/97/08/52/724970852.db2.gz	XOWMOUAQLQMJHM-VIFPVBQESA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000970547857	725299377	/nfs/dbraw/zinc/29/93/77/725299377.db2.gz	JTMVCELBKLBXIP-JTQLQIEISA-N	-1	1	346.395	-0.864	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000972501736	725537046	/nfs/dbraw/zinc/53/70/46/725537046.db2.gz	QLACSIBDOFIVPB-LLVKDONJSA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C=CCN1CCO[C@@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC000972594665	725556533	/nfs/dbraw/zinc/55/65/33/725556533.db2.gz	CISIPMLQKAJPSM-KRWDZBQOSA-N	-1	1	348.403	-0.584	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)nn1	ZINC000996390403	726381050	/nfs/dbraw/zinc/38/10/50/726381050.db2.gz	UJWLEDYLZYXIME-NSHDSACASA-N	-1	1	346.395	-0.072	20	30		EBEDMM
C#CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C(F)(F)F	ZINC000998284256	726483408	/nfs/dbraw/zinc/48/34/08/726483408.db2.gz	XUPSUVISTZPDAU-HTQZYQBOSA-N	-1	1	345.281	-0.101	20	30		EBEDMM
C#CCCN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1	ZINC001052047444	735520271	/nfs/dbraw/zinc/52/02/71/735520271.db2.gz	NBAQYKJZVIORQB-GFCCVEGCSA-N	-1	1	346.391	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C	ZINC001020535555	729197860	/nfs/dbraw/zinc/19/78/60/729197860.db2.gz	MABFVMDMUNFOOS-GUBZILKMSA-N	-1	1	343.347	-0.704	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@@H]2C1	ZINC001026397883	730142972	/nfs/dbraw/zinc/14/29/72/730142972.db2.gz	QQKJPWDGVCRYDH-IVZWLZJFSA-N	-1	1	333.348	-0.140	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001029480693	730407470	/nfs/dbraw/zinc/40/74/70/730407470.db2.gz	GGDIWGJVBYAYAB-RQJABVFESA-N	-1	1	347.419	-0.125	20	30		EBEDMM
C=CCCn1cc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038791750	731376870	/nfs/dbraw/zinc/37/68/70/731376870.db2.gz	ZXMOLCBCEUSCEE-LLVKDONJSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039680565	731488369	/nfs/dbraw/zinc/48/83/69/731488369.db2.gz	IMIPJJYBSVJFHE-KRWDZBQOSA-N	-1	1	329.356	-0.106	20	30		EBEDMM
C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001061522686	738582204	/nfs/dbraw/zinc/58/22/04/738582204.db2.gz	BCEWKQHLDMMPAW-GFCCVEGCSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2CCN(CC#N)[C@H]2C1	ZINC001042313742	732404453	/nfs/dbraw/zinc/40/44/53/732404453.db2.gz	VWHQUFWEAZWAAP-UWVGGRQHSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)c[nH]1	ZINC001042712656	732545885	/nfs/dbraw/zinc/54/58/85/732545885.db2.gz	FKYPLBORIHTZIY-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061584484	738626443	/nfs/dbraw/zinc/62/64/43/738626443.db2.gz	IOKJZJQDJOVFHV-CHWSQXEVSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC2(C1)CCN(CC#N)CC2	ZINC001050728818	734950849	/nfs/dbraw/zinc/95/08/49/734950849.db2.gz	WAODLSPXVVBPJA-UHFFFAOYSA-N	-1	1	333.348	-0.042	20	30		EBEDMM
CC#CCN1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051207378	735098867	/nfs/dbraw/zinc/09/88/67/735098867.db2.gz	RGGUWJMIZOVQOM-JTQLQIEISA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C#CCN1CC2(C1)CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCO2	ZINC001053508577	735909285	/nfs/dbraw/zinc/90/92/85/735909285.db2.gz	ZMTUKRVRGNDBHH-UHFFFAOYSA-N	-1	1	334.332	-0.944	20	30		EBEDMM
C=C(C)CN1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981771	736132531	/nfs/dbraw/zinc/13/25/31/736132531.db2.gz	UWIDCTIJNYBGQN-LLVKDONJSA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057410115	737229772	/nfs/dbraw/zinc/22/97/72/737229772.db2.gz	CSHHKQMRHIFRAI-INIZCTEOSA-N	-1	1	337.376	-0.335	20	30		EBEDMM
Cc1n[nH]c(C(=O)NCc2n[nH]c([C@H]3COCCN3CC#N)n2)c1[O-]	ZINC001070583123	740876873	/nfs/dbraw/zinc/87/68/73/740876873.db2.gz	DUEFDTMBXKKUNL-SECBINFHSA-N	-1	1	346.351	-0.631	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001071786614	741216270	/nfs/dbraw/zinc/21/62/70/741216270.db2.gz	GOBDOLDOSVHFHT-ZYHUDNBSSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCN1CCO[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC001074356648	741911207	/nfs/dbraw/zinc/91/12/07/741911207.db2.gz	NAYGSVLVQVUVMV-UONOGXRCSA-N	-1	1	348.403	-0.586	20	30		EBEDMM
C[C@@H](CCNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C#CC1CC1	ZINC001077402505	742956190	/nfs/dbraw/zinc/95/61/90/742956190.db2.gz	QUZSTINYCVWLSD-LBPRGKRZSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
N#CCN1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]2C1	ZINC000980210913	805799204	/nfs/dbraw/zinc/79/92/04/805799204.db2.gz	ZWUHHMKTDBVWFZ-TUAOUCFPSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC2(C1)CCCN(CC#N)C2	ZINC000982116841	806401341	/nfs/dbraw/zinc/40/13/41/806401341.db2.gz	UGEUBBIJQMDXOM-UHFFFAOYSA-N	-1	1	333.348	-0.042	20	30		EBEDMM
C#CCN1CC2(C1)CCN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)CC2	ZINC001035740402	811007251	/nfs/dbraw/zinc/00/72/51/811007251.db2.gz	DJMIEPCAWGVIHB-UHFFFAOYSA-N	-1	1	331.376	-0.227	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221516382	811478009	/nfs/dbraw/zinc/47/80/09/811478009.db2.gz	NPLJOHHEPOANPI-HSMVNMDESA-N	-1	1	335.408	-0.532	20	30		EBEDMM
C#C[C@H](OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O)C(C)C	ZINC001227475633	811924790	/nfs/dbraw/zinc/92/47/90/811924790.db2.gz	JYEMPVHWHCWMKN-LURJTMIESA-N	-1	1	347.287	-0.637	20	30		EBEDMM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1nc(=O)[nH]c(=O)[n-]1	ZINC001227565872	811928598	/nfs/dbraw/zinc/92/85/98/811928598.db2.gz	CPSYSZKGEMJCAG-QMMMGPOBSA-N	-1	1	325.277	-0.121	20	30		EBEDMM
C=C[C@@H]1C[C@]1(NC[C@@H](O)COCC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001252048161	812643084	/nfs/dbraw/zinc/64/30/84/812643084.db2.gz	RAYVWNNFMBFUGG-JTNHKYCSSA-N	-1	1	332.422	-0.474	20	30		EBEDMM
C=CCN1CC2(CN(C(=O)c3c([O-])c(C)ncc3CO)C2)OCC1=O	ZINC001269418703	814684058	/nfs/dbraw/zinc/68/40/58/814684058.db2.gz	BQRNBNDJZMKECZ-UHFFFAOYSA-N	-1	1	347.371	-0.173	20	30		EBEDMM
N#CCCCN1C(=O)C[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269576287	814734751	/nfs/dbraw/zinc/73/47/51/814734751.db2.gz	HFOZOXXYCZPZEE-OAHLLOKOSA-N	-1	1	345.363	-0.586	20	30		EBEDMM
C=C1CCC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001083754249	814757446	/nfs/dbraw/zinc/75/74/46/814757446.db2.gz	IKXPQWKWTJGXRG-OLZOCXBDSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
C=C(C)CCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](O)C1	ZINC001083870224	815663882	/nfs/dbraw/zinc/66/38/82/815663882.db2.gz	WELLOQQIPONKCJ-OLZOCXBDSA-N	-1	1	346.391	-0.801	20	30		EBEDMM
Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2nn[n-]n2)cc1C#N	ZINC001270182731	815712855	/nfs/dbraw/zinc/71/28/55/815712855.db2.gz	LVPHEGYIKVDZTC-BETUJISGSA-N	-1	1	340.391	-0.172	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nc1=O	ZINC001084288480	815880381	/nfs/dbraw/zinc/88/03/81/815880381.db2.gz	VYCYOGTUDSUJCZ-ZWNOBZJWSA-N	-1	1	341.375	-0.345	20	30		EBEDMM
C=C[C@H](CC)CC(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001276075417	817352563	/nfs/dbraw/zinc/35/25/63/817352563.db2.gz	HLZQPHIDUYAUNJ-GFCCVEGCSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001276863008	817485155	/nfs/dbraw/zinc/48/51/55/817485155.db2.gz	VMCATGPVWSQCDM-INIZCTEOSA-N	-1	1	349.435	-0.140	20	30		EBEDMM
C#Cc1ccc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)nc1	ZINC001279886984	818002149	/nfs/dbraw/zinc/00/21/49/818002149.db2.gz	WMDYGRQQTDIRAD-UHFFFAOYSA-N	-1	1	330.348	-0.889	20	30		EBEDMM
Cc1nc(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)ccc1C#N	ZINC001093746416	818093794	/nfs/dbraw/zinc/09/37/94/818093794.db2.gz	JQFRJTYMHZRGDT-UHFFFAOYSA-N	-1	1	338.331	-0.165	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001281352674	818154320	/nfs/dbraw/zinc/15/43/20/818154320.db2.gz	CWVQWPIDUDVKJO-UNXYVOJBSA-N	-1	1	347.375	-0.808	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)nn1	ZINC001282204607	818375173	/nfs/dbraw/zinc/37/51/73/818375173.db2.gz	RRYRNBBWRSGLAE-VHSXEESVSA-N	-1	1	334.384	-0.026	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccncc1C#N	ZINC001097939031	819057806	/nfs/dbraw/zinc/05/78/06/819057806.db2.gz	AGOZWVMJOWHSMC-NSHDSACASA-N	-1	1	342.359	-0.768	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)nc1	ZINC001097940246	819059302	/nfs/dbraw/zinc/05/93/02/819059302.db2.gz	VWCPJDOUOMXSRH-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1cnc(C#N)cn1	ZINC001097950430	819061733	/nfs/dbraw/zinc/06/17/33/819061733.db2.gz	OSIUSMNYJQBNSJ-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1ccnc(C#N)n1	ZINC001097952301	819063266	/nfs/dbraw/zinc/06/32/66/819063266.db2.gz	QHDMGYWTLHDQPV-ZETCQYMHSA-N	-1	1	345.319	-0.790	20	30		EBEDMM
CC#CCCCC(=O)N(C)C[C@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001284507997	819262047	/nfs/dbraw/zinc/26/20/47/819262047.db2.gz	ATAOHWICROZKKQ-CYBMUJFWSA-N	-1	1	337.424	-0.447	20	30		EBEDMM
C#CCCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099786979	819697036	/nfs/dbraw/zinc/69/70/36/819697036.db2.gz	SMYZNGHBIWCRTD-OLZOCXBDSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099849743	819778661	/nfs/dbraw/zinc/77/86/61/819778661.db2.gz	IVSRTOPQFMZMQX-RYUDHWBXSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C#CCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1	ZINC001099874209	819813932	/nfs/dbraw/zinc/81/39/32/819813932.db2.gz	HVKPYTZOVCURIP-OLZOCXBDSA-N	-1	1	347.419	-0.647	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](O)C1	ZINC001099899318	819866669	/nfs/dbraw/zinc/86/66/69/819866669.db2.gz	QYCDEXNNPSEPFX-NWDGAFQWSA-N	-1	1	337.380	-0.956	20	30		EBEDMM
C#CCN(C(C)=O)C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001286043945	819882291	/nfs/dbraw/zinc/88/22/91/819882291.db2.gz	PIOKCJHBDRQQOI-UHFFFAOYSA-N	-1	1	346.387	-0.601	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099946949	819958936	/nfs/dbraw/zinc/95/89/36/819958936.db2.gz	NVYXLWUTHQRCCB-RYUDHWBXSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001104097415	821401034	/nfs/dbraw/zinc/40/10/34/821401034.db2.gz	LMIASZISXPKJLG-VXGBXAGGSA-N	-1	1	348.407	-0.776	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ncccc2[O-])cn1	ZINC001298172393	821468998	/nfs/dbraw/zinc/46/89/98/821468998.db2.gz	OCUDGKWCWIXIBU-ZDUSSCGKSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
CC#CCN1CCO[C@@](C)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001108282094	824194265	/nfs/dbraw/zinc/19/42/65/824194265.db2.gz	MQWLBWBHOMVDIZ-KRWDZBQOSA-N	-1	1	348.403	-0.843	20	30		EBEDMM
C#CCN1CCO[C@@](C)(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001108340380	824227565	/nfs/dbraw/zinc/22/75/65/824227565.db2.gz	AIIGCTRBTWSCMB-HNNXBMFYSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001111066510	824894451	/nfs/dbraw/zinc/89/44/51/824894451.db2.gz	UGEWAPGNYRHONV-INIZCTEOSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001111489616	825159681	/nfs/dbraw/zinc/15/96/81/825159681.db2.gz	FZLHCWDVOYTUTE-LOWDOPEQSA-N	-1	1	335.408	-0.079	20	30		EBEDMM
COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001111799713	825318472	/nfs/dbraw/zinc/31/84/72/825318472.db2.gz	DSIQOJMETVMICR-ZBEGNZNMSA-N	-1	1	347.375	-0.483	20	30		EBEDMM
CC(C)(C)OC(=O)N[C@H](CO)CC(=O)N([O-])C(=N)c1nonc1N	ZINC001182688913	833252759	/nfs/dbraw/zinc/25/27/59/833252759.db2.gz	SHAGGNJIZDBCAW-LURJTMIESA-N	-1	1	344.328	-0.529	20	30		EBEDMM
COc1cc(C[C@@H](O)C(=O)N([O-])C(=N)c2nonc2N)ccc1O	ZINC001143589377	830153951	/nfs/dbraw/zinc/15/39/51/830153951.db2.gz	MAQDIGWMKOJVJL-MRVPVSSYSA-N	-1	1	337.292	-0.487	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143659497	830154412	/nfs/dbraw/zinc/15/44/12/830154412.db2.gz	XKFYXIUERXEIEB-PWSUYJOCSA-N	-1	1	346.347	-0.170	20	30		EBEDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CS)NC(C)=O)c1	ZINC001144410994	830165206	/nfs/dbraw/zinc/16/52/06/830165206.db2.gz	MSNWDFOHUKZPMK-JTQLQIEISA-N	-1	1	347.418	-0.327	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147440187	830342901	/nfs/dbraw/zinc/34/29/01/830342901.db2.gz	LMKNPCAAEAHIFC-OAHLLOKOSA-N	-1	1	335.408	-0.530	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC001148884930	830550630	/nfs/dbraw/zinc/55/06/30/830550630.db2.gz	BPBFLRKZLKKKQY-UHFFFAOYSA-N	-1	1	342.271	-0.062	20	30		EBEDMM
Cn1[n-]c(CN2CCCO[C@H](CNC(=O)C#CC3CC3)C2)nc1=O	ZINC001149693578	830731220	/nfs/dbraw/zinc/73/12/20/830731220.db2.gz	AKTYPYCQLSXOEM-CYBMUJFWSA-N	-1	1	333.392	-0.771	20	30		EBEDMM
CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001156359221	831471195	/nfs/dbraw/zinc/47/11/95/831471195.db2.gz	MEQDJSAWUJCHLC-GFCCVEGCSA-N	-1	1	346.391	-0.492	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001353191953	832415331	/nfs/dbraw/zinc/41/53/31/832415331.db2.gz	BVWZUHNDQFPASX-PWSUYJOCSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)CCCNC(=O)c1cccnc1	ZINC001176882646	832700606	/nfs/dbraw/zinc/70/06/06/832700606.db2.gz	FMSYUMAFAYQXQM-UHFFFAOYSA-N	-1	1	333.308	-0.200	20	30		EBEDMM
Cc1cn2c(ncc(C(=O)N([O-])C(=N)c3nonc3N)c2=O)s1	ZINC001199825263	835866837	/nfs/dbraw/zinc/86/68/37/835866837.db2.gz	BEVSEULHDCDLHN-UHFFFAOYSA-N	-1	1	335.305	-0.113	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200377035	835957589	/nfs/dbraw/zinc/95/75/89/835957589.db2.gz	AXVQDUHMXUAIHO-NHYWBVRUSA-N	-1	1	339.396	-0.456	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200377033	835958299	/nfs/dbraw/zinc/95/82/99/835958299.db2.gz	AXVQDUHMXUAIHO-ABAIWWIYSA-N	-1	1	339.396	-0.456	20	30		EBEDMM
COCC#CCN1CCC[C@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001324944223	839739832	/nfs/dbraw/zinc/73/98/32/839739832.db2.gz	PFXCDIOWJRIUJA-MRXNPFEDSA-N	-1	1	349.391	-0.236	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1	ZINC001325898268	839970135	/nfs/dbraw/zinc/97/01/35/839970135.db2.gz	HWMBQZQDVBHJMJ-MGPQQGTHSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C=CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1	ZINC001338639896	842851347	/nfs/dbraw/zinc/85/13/47/842851347.db2.gz	YPKXVOJMIDFEIJ-NSHDSACASA-N	-1	1	341.389	-0.872	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573287320	946833649	/nfs/dbraw/zinc/83/36/49/946833649.db2.gz	MYTFQYTXFUIFBG-QWRGUYRKSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573287320	946833653	/nfs/dbraw/zinc/83/36/53/946833653.db2.gz	MYTFQYTXFUIFBG-QWRGUYRKSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573288157	946859284	/nfs/dbraw/zinc/85/92/84/946859284.db2.gz	SCTKRAWJYYVLJJ-VHSXEESVSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573561220	946960889	/nfs/dbraw/zinc/96/08/89/946960889.db2.gz	JEUGZVJYTRFTNU-NXEZZACHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573561220	946960897	/nfs/dbraw/zinc/96/08/97/946960897.db2.gz	JEUGZVJYTRFTNU-NXEZZACHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573562338	946974545	/nfs/dbraw/zinc/97/45/45/946974545.db2.gz	SLVRCFWXNAQSFJ-ONGXEEELSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573294174	946979548	/nfs/dbraw/zinc/97/95/48/946979548.db2.gz	XIRNQNYTBHRHRK-SNVBAGLBSA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573294174	946979555	/nfs/dbraw/zinc/97/95/55/946979555.db2.gz	XIRNQNYTBHRHRK-SNVBAGLBSA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=C(CC(C)C)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573296182	947042800	/nfs/dbraw/zinc/04/28/00/947042800.db2.gz	ZLWCQWWZAJIFLH-UHFFFAOYSA-N	-1	1	333.352	-0.153	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1	ZINC001573569510	947071583	/nfs/dbraw/zinc/07/15/83/947071583.db2.gz	AAYQLWOMSRALLH-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1	ZINC001573569510	947071592	/nfs/dbraw/zinc/07/15/92/947071592.db2.gz	AAYQLWOMSRALLH-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1	ZINC001573570070	947084077	/nfs/dbraw/zinc/08/40/77/947084077.db2.gz	JRMBJYRITAGLEQ-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1	ZINC001573570070	947084086	/nfs/dbraw/zinc/08/40/86/947084086.db2.gz	JRMBJYRITAGLEQ-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573570602	947091309	/nfs/dbraw/zinc/09/13/09/947091309.db2.gz	RELRXZLRWBBTPV-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573570602	947091323	/nfs/dbraw/zinc/09/13/23/947091323.db2.gz	RELRXZLRWBBTPV-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1	ZINC001573570702	947092422	/nfs/dbraw/zinc/09/24/22/947092422.db2.gz	SBGDSJLUPZLBHG-GARJFASQSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573572426	947112789	/nfs/dbraw/zinc/11/27/89/947112789.db2.gz	HPOQCSHNJSRGAD-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573572426	947112794	/nfs/dbraw/zinc/11/27/94/947112794.db2.gz	HPOQCSHNJSRGAD-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573573453	947121360	/nfs/dbraw/zinc/12/13/60/947121360.db2.gz	NIEUJICAXZJLGJ-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC001573582493	947191779	/nfs/dbraw/zinc/19/17/79/947191779.db2.gz	DXBRJEISHDBHIS-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC001573582493	947191786	/nfs/dbraw/zinc/19/17/86/947191786.db2.gz	DXBRJEISHDBHIS-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1	ZINC001573584342	947219995	/nfs/dbraw/zinc/21/99/95/947219995.db2.gz	UPDXAECRULURSL-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1	ZINC001573584342	947220002	/nfs/dbraw/zinc/22/00/02/947220002.db2.gz	UPDXAECRULURSL-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573584381	947221008	/nfs/dbraw/zinc/22/10/08/947221008.db2.gz	VAVMKEZMQOKXMA-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573584381	947221015	/nfs/dbraw/zinc/22/10/15/947221015.db2.gz	VAVMKEZMQOKXMA-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573310393	947223711	/nfs/dbraw/zinc/22/37/11/947223711.db2.gz	XJGWOWINRUXWFF-HNNXBMFYSA-N	-1	1	344.379	-0.368	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573310393	947223722	/nfs/dbraw/zinc/22/37/22/947223722.db2.gz	XJGWOWINRUXWFF-HNNXBMFYSA-N	-1	1	344.379	-0.368	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573310395	947224169	/nfs/dbraw/zinc/22/41/69/947224169.db2.gz	XJGWOWINRUXWFF-OAHLLOKOSA-N	-1	1	344.379	-0.368	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573310395	947224182	/nfs/dbraw/zinc/22/41/82/947224182.db2.gz	XJGWOWINRUXWFF-OAHLLOKOSA-N	-1	1	344.379	-0.368	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573310655	947225667	/nfs/dbraw/zinc/22/56/67/947225667.db2.gz	YVPBYMHQYYFVDW-ZUZCIYMTSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573310655	947225674	/nfs/dbraw/zinc/22/56/74/947225674.db2.gz	YVPBYMHQYYFVDW-ZUZCIYMTSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C	ZINC001573586398	947288317	/nfs/dbraw/zinc/28/83/17/947288317.db2.gz	PNSPNYBLPLBIGX-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C	ZINC001573586398	947288329	/nfs/dbraw/zinc/28/83/29/947288329.db2.gz	PNSPNYBLPLBIGX-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573329542	947421582	/nfs/dbraw/zinc/42/15/82/947421582.db2.gz	KTGFXUZPDAJGCP-JTQLQIEISA-N	-1	1	332.368	-0.724	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)c2cnn3c2OCCC3)nc1-c1nn[nH]n1	ZINC001570925724	948675901	/nfs/dbraw/zinc/67/59/01/948675901.db2.gz	OOLUJXFDGQDCAD-UHFFFAOYSA-N	-1	1	326.280	-0.307	20	30		EBEDMM
CC[C@@H](CNS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001570935286	948975572	/nfs/dbraw/zinc/97/55/72/948975572.db2.gz	NCCYBSLQVAVEMI-ZETCQYMHSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
CC[C@@H](CNS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)c(C#N)n1	ZINC001570935286	948975592	/nfs/dbraw/zinc/97/55/92/948975592.db2.gz	NCCYBSLQVAVEMI-ZETCQYMHSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
C[C@]1(C#N)CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575524028	949304781	/nfs/dbraw/zinc/30/47/81/949304781.db2.gz	GGWDCWUOOFBJSM-CQSZACIVSA-N	-1	1	344.335	-0.719	20	30		EBEDMM
C[C@]1(C#N)CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575526335	949367588	/nfs/dbraw/zinc/36/75/88/949367588.db2.gz	XRLYFMFCJOBGDV-CQSZACIVSA-N	-1	1	344.335	-0.719	20	30		EBEDMM
C[C@@H](CC#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1	ZINC001574472771	949558215	/nfs/dbraw/zinc/55/82/15/949558215.db2.gz	WDZKKJBJSOELLT-QMMMGPOBSA-N	-1	1	331.340	-0.085	20	30		EBEDMM
C[C@@H](CC#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1	ZINC001574472771	949558227	/nfs/dbraw/zinc/55/82/27/949558227.db2.gz	WDZKKJBJSOELLT-QMMMGPOBSA-N	-1	1	331.340	-0.085	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001574473272	949566861	/nfs/dbraw/zinc/56/68/61/949566861.db2.gz	ZTWUEIKWJPGAFC-ZETCQYMHSA-N	-1	1	342.410	-0.108	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001574473272	949566875	/nfs/dbraw/zinc/56/68/75/949566875.db2.gz	ZTWUEIKWJPGAFC-ZETCQYMHSA-N	-1	1	342.410	-0.108	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)[C@H]2CNC(=O)c3ccccc32)nc1-c1nn[nH]n1	ZINC001570950739	949697289	/nfs/dbraw/zinc/69/72/89/949697289.db2.gz	SKTSWWWSPYWDCP-VIFPVBQESA-N	-1	1	349.314	-0.073	20	30		EBEDMM
C[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001576214279	950665186	/nfs/dbraw/zinc/66/51/86/950665186.db2.gz	OJYKNMHRKPSCDH-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)CNC(=O)[O-])CC1	ZINC001573367898	963071586	/nfs/dbraw/zinc/07/15/86/963071586.db2.gz	DLZUJHCNMXBCJM-NSHDSACASA-N	-1	1	326.397	-0.227	20	30		EBEDMM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	ZINC001588382136	983368787	/nfs/dbraw/zinc/36/87/87/983368787.db2.gz	HGRHONVIDFTFDC-CYBMUJFWSA-N	-1	1	335.404	-0.134	20	30		EBEDMM
C#CCN1CCC(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588471694	983507231	/nfs/dbraw/zinc/50/72/31/983507231.db2.gz	XOOAMEQMQGGODT-KBPBESRZSA-N	-1	1	335.404	-0.373	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CC1	ZINC001588477443	983516358	/nfs/dbraw/zinc/51/63/58/983516358.db2.gz	QUMKRAMRJYMLDJ-FXUDXRNXSA-N	-1	1	349.431	-0.141	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H](C)/C=C/C(=O)[O-])c1ccn[nH]1	ZINC001596629288	984611549	/nfs/dbraw/zinc/61/15/49/984611549.db2.gz	RRDMEIOWIOLFOA-CUWSSLKCSA-N	-1	1	338.320	-0.161	20	30		EBEDMM
CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1	ZINC001589620403	987495206	/nfs/dbraw/zinc/49/52/06/987495206.db2.gz	CEOBESLAIIWIRE-HNNXBMFYSA-N	-1	1	340.355	-0.542	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@](O)(C(=O)[O-])C2)CC1	ZINC001590949340	991006343	/nfs/dbraw/zinc/00/63/43/991006343.db2.gz	PEDNJSRPJMPOJF-CZUORRHYSA-N	-1	1	338.408	-0.800	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001484159401	1126510263	/nfs/dbraw/zinc/51/02/63/1126510263.db2.gz	TUOIEFRHAKOMHN-CXAGYDPISA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C#CCCCC(=O)NC[C@H]1CCC2(CN(Cc3nc(=O)n(C)[n-]3)C2)O1	ZINC001484781822	1126632590	/nfs/dbraw/zinc/63/25/90/1126632590.db2.gz	JHQVMVNVBAOCBS-CYBMUJFWSA-N	-1	1	347.419	-0.239	20	30		EBEDMM
CC#CCCCC(=O)NC1(CO)CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001485023357	1126668270	/nfs/dbraw/zinc/66/82/70/1126668270.db2.gz	WZIPKJAGPNTEDX-UHFFFAOYSA-N	-1	1	349.435	-0.255	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001411165520	1128059008	/nfs/dbraw/zinc/05/90/08/1128059008.db2.gz	LODDVUDPNHSQBY-DGCLKSJQSA-N	-1	1	346.391	-0.567	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001489328642	1128957929	/nfs/dbraw/zinc/95/79/29/1128957929.db2.gz	LUULZYFQGJGNCS-DMDPSCGWSA-N	-1	1	335.360	-0.320	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001489781900	1129068130	/nfs/dbraw/zinc/06/81/30/1129068130.db2.gz	ZYKKCDJQZMQOBC-NXEZZACHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
COCC#CCN1CCN(CCCNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001490464354	1129199008	/nfs/dbraw/zinc/19/90/08/1129199008.db2.gz	CKGNSXYVYBJREL-UHFFFAOYSA-N	-1	1	349.435	-0.189	20	30		EBEDMM
N#Cc1cn(CCNC(=O)c2[nH]nc3c2CCCC3)c(=O)[n-]c1=O	ZINC001362684867	1131641195	/nfs/dbraw/zinc/64/11/95/1131641195.db2.gz	APJAHGXGZCVMLF-UHFFFAOYSA-N	-1	1	328.332	-0.148	20	30		EBEDMM
CN(C)S(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC001364082267	1132201078	/nfs/dbraw/zinc/20/10/78/1132201078.db2.gz	VXNWCJSVHPVNMX-UHFFFAOYSA-N	-1	1	333.391	-0.146	20	30		EBEDMM
CN(C)c1ccnc(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001364853281	1132454912	/nfs/dbraw/zinc/45/49/12/1132454912.db2.gz	SCOWHMKMQXNHTH-UHFFFAOYSA-N	-1	1	342.359	-0.012	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C(=O)OCC)c[n-]2)C1=O	ZINC000339168209	376640347	/nfs/dbraw/zinc/64/03/47/376640347.db2.gz	RVMKZYQCOSGHHB-UHFFFAOYSA-N	-1	1	349.303	-0.498	20	30		EBEDMM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC	ZINC000336900859	378577516	/nfs/dbraw/zinc/57/75/16/378577516.db2.gz	BNSKTJWQKWXHAB-UWVGGRQHSA-N	-1	1	335.382	-0.593	20	30		EBEDMM
C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)(C)C	ZINC000491674837	379614052	/nfs/dbraw/zinc/61/40/52/379614052.db2.gz	YJEWGWIXYNIJBA-JTQLQIEISA-N	-1	1	341.389	-0.179	20	30		EBEDMM
N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1	ZINC000614296696	379920312	/nfs/dbraw/zinc/92/03/12/379920312.db2.gz	NBVGIPQFEKMEGU-UHFFFAOYSA-N	-1	1	342.355	-0.173	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000292988329	380494049	/nfs/dbraw/zinc/49/40/49/380494049.db2.gz	FUSYVJOAKSDDQM-NXEZZACHSA-N	-1	1	328.398	-0.386	20	30		EBEDMM
CCC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000610257876	381071807	/nfs/dbraw/zinc/07/18/07/381071807.db2.gz	CVLHYRUZDDPQNZ-QMMMGPOBSA-N	-1	1	328.350	-0.535	20	30		EBEDMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1=O	ZINC000344833533	156270016	/nfs/dbraw/zinc/27/00/16/156270016.db2.gz	YENIEXWJNDGMIG-NSHDSACASA-N	-1	1	325.321	-0.126	20	30		EBEDMM
COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000442801715	267391051	/nfs/dbraw/zinc/39/10/51/267391051.db2.gz	QBANUQUHYALYOU-LLVKDONJSA-N	-1	1	338.341	-0.324	20	30		EBEDMM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000735116729	582889308	/nfs/dbraw/zinc/88/93/08/582889308.db2.gz	SMTOOSIPKBYBCI-SDNWHVSQSA-N	-1	1	347.287	-0.048	20	30		EBEDMM
C=C(Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O)C(=O)OCC	ZINC000735402390	582894472	/nfs/dbraw/zinc/89/44/72/582894472.db2.gz	UFYSFUMTRKXPOQ-UHFFFAOYSA-N	-1	1	333.304	-0.066	20	30		EBEDMM
CC(CCCOc1ccccc1C(N)=O)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765594942	583284932	/nfs/dbraw/zinc/28/49/32/583284932.db2.gz	AIKAWEQXLOQNRQ-UHFFFAOYSA-N	-1	1	331.332	-0.078	20	30		EBEDMM
C#C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1CCCO1	ZINC000806986638	583656439	/nfs/dbraw/zinc/65/64/39/583656439.db2.gz	IXSBMEPMEQWXBD-DGCLKSJQSA-N	-1	1	327.344	-0.423	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819845864	583762293	/nfs/dbraw/zinc/76/22/93/583762293.db2.gz	XMOYLTRJFWTICM-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819845864	583762294	/nfs/dbraw/zinc/76/22/94/583762294.db2.gz	XMOYLTRJFWTICM-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccc(C#N)cc2)c1=O	ZINC000822605100	583813787	/nfs/dbraw/zinc/81/37/87/583813787.db2.gz	YMZGLJBVTDDWMZ-LBPRGKRZSA-N	-1	1	339.315	-0.668	20	30		EBEDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1	ZINC000822608362	583813839	/nfs/dbraw/zinc/81/38/39/583813839.db2.gz	DHUASFFKVZWFNG-SNVBAGLBSA-N	-1	1	342.367	-0.196	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1	ZINC000822608362	583813841	/nfs/dbraw/zinc/81/38/41/583813841.db2.gz	DHUASFFKVZWFNG-SNVBAGLBSA-N	-1	1	342.367	-0.196	20	30		EBEDMM
C=CCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000823925686	583839022	/nfs/dbraw/zinc/83/90/22/583839022.db2.gz	OCLYMVPABNWCAA-UHFFFAOYSA-N	-1	1	349.399	-0.051	20	30		EBEDMM
C=CCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823925686	583839025	/nfs/dbraw/zinc/83/90/25/583839025.db2.gz	OCLYMVPABNWCAA-UHFFFAOYSA-N	-1	1	349.399	-0.051	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2C#N)c1=O	ZINC000826357271	583893830	/nfs/dbraw/zinc/89/38/30/583893830.db2.gz	YHVOEHDAZGOOEW-UHFFFAOYSA-N	-1	1	327.279	-0.214	20	30		EBEDMM
N#Cc1nc(N)n(CCC[N-]C(=O)C(F)(F)F)c1-c1nn[nH]n1	ZINC000826387679	583896257	/nfs/dbraw/zinc/89/62/57/583896257.db2.gz	KLJPYKKAWKYNKD-UHFFFAOYSA-N	-1	1	329.246	-0.414	20	30		EBEDMM
C=CCC[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)OCC	ZINC000832549320	583998820	/nfs/dbraw/zinc/99/88/20/583998820.db2.gz	AXTIOYTXCSGDFC-SNVBAGLBSA-N	-1	1	327.424	-0.152	20	30		EBEDMM
C#C[C@@](C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000854697438	584247158	/nfs/dbraw/zinc/24/71/58/584247158.db2.gz	BYIDZNUIXQEKAP-ZDUSSCGKSA-N	-1	1	327.362	-0.425	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000939398465	652925333	/nfs/dbraw/zinc/92/53/33/652925333.db2.gz	XJZBURYATTVSGN-IUCAKERBSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000941929690	652953679	/nfs/dbraw/zinc/95/36/79/652953679.db2.gz	OTUCVASLFHKVNM-CMPLNLGQSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N	ZINC000951222398	654423950	/nfs/dbraw/zinc/42/39/50/654423950.db2.gz	LEVOLIMQNLZTDA-YUMQZZPRSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC000960275725	722813262	/nfs/dbraw/zinc/81/32/62/722813262.db2.gz	BBUHKQPWRFLLMX-GMXVVIOVSA-N	-1	1	330.344	-0.001	20	30		EBEDMM
N#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)[nH]1	ZINC000962433907	723251408	/nfs/dbraw/zinc/25/14/08/723251408.db2.gz	AHRDVZCRNRGQDI-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001009267039	726883665	/nfs/dbraw/zinc/88/36/65/726883665.db2.gz	CEVIFIAGPZZVFO-CQSZACIVSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC001011635663	727551704	/nfs/dbraw/zinc/55/17/04/727551704.db2.gz	HYOZCRDHEGWTEU-QMMMGPOBSA-N	-1	1	335.320	-0.660	20	30		EBEDMM
C#CCOc1ncccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019673448	728971341	/nfs/dbraw/zinc/97/13/41/728971341.db2.gz	SVEQTNMVZQDHRJ-NSHDSACASA-N	-1	1	342.359	-0.078	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001021717298	729334756	/nfs/dbraw/zinc/33/47/56/729334756.db2.gz	ORTLPCUFWNUCKX-WCQYABFASA-N	-1	1	341.375	-0.132	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001023315688	729662690	/nfs/dbraw/zinc/66/26/90/729662690.db2.gz	ZOQMQAZUTUYUHL-NSHDSACASA-N	-1	1	343.391	-0.050	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC001032362528	730845203	/nfs/dbraw/zinc/84/52/03/730845203.db2.gz	FHBKFYDEEGASTB-QWRGUYRKSA-N	-1	1	327.348	-0.593	20	30		EBEDMM
CC[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@@H]1NCC#N	ZINC001037965385	731275287	/nfs/dbraw/zinc/27/52/87/731275287.db2.gz	JYBPNWBLWBNDLA-QWRGUYRKSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1	ZINC001041784950	732225915	/nfs/dbraw/zinc/22/59/15/732225915.db2.gz	AWOUBWRVQUMWFM-OAHLLOKOSA-N	-1	1	333.348	-0.042	20	30		EBEDMM
N#CCN1CC[C@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC001041785944	732226224	/nfs/dbraw/zinc/22/62/24/732226224.db2.gz	BPCLGODDKOHKJO-HNNXBMFYSA-N	-1	1	327.348	-0.521	20	30		EBEDMM
N#CCN1CC[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC001042270212	732384250	/nfs/dbraw/zinc/38/42/50/732384250.db2.gz	NBNDHWRYGKPRNJ-OLZOCXBDSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2CCN(CC#N)[C@@H]2C1	ZINC001042313743	732404803	/nfs/dbraw/zinc/40/48/03/732404803.db2.gz	VWHQUFWEAZWAAP-VHSXEESVSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061581768	738624734	/nfs/dbraw/zinc/62/47/34/738624734.db2.gz	TZTMKTYJXNXMOT-ZDUSSCGKSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001046680250	734000039	/nfs/dbraw/zinc/00/00/39/734000039.db2.gz	AHNLVDUKBIMVQW-HNNXBMFYSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C=C1CC(C)(C(=O)N(C)[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1	ZINC001047516880	734235238	/nfs/dbraw/zinc/23/52/38/734235238.db2.gz	PINFCNYRZPOVHS-RYUDHWBXSA-N	-1	1	335.408	-0.532	20	30		EBEDMM
C=CCCN1CCOC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051210552	735100118	/nfs/dbraw/zinc/10/01/18/735100118.db2.gz	XPSAXFVTXGFKKW-LLVKDONJSA-N	-1	1	332.364	-0.576	20	30		EBEDMM
N#CCN1CC[C@]2(C1)CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001054215155	736178500	/nfs/dbraw/zinc/17/85/00/736178500.db2.gz	ODIOZTZLSAMMCN-KRWDZBQOSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001070416246	740817572	/nfs/dbraw/zinc/81/75/72/740817572.db2.gz	JSZDJPPNTMPZJO-SECBINFHSA-N	-1	1	343.347	-0.642	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001070987598	741020750	/nfs/dbraw/zinc/02/07/50/741020750.db2.gz	LFWKQAIOSLSKNV-NWDGAFQWSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C=CCN1CC[C@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@H](C)O2	ZINC001071199218	741084845	/nfs/dbraw/zinc/08/48/45/741084845.db2.gz	KJXAQEQEPHBXIT-SJCJKPOMSA-N	-1	1	348.403	-0.023	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2	ZINC001071198699	741084909	/nfs/dbraw/zinc/08/49/09/741084909.db2.gz	CKFLLWXHRBJKAT-SJKOYZFVSA-N	-1	1	346.387	-0.576	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-]	ZINC001076244937	742419286	/nfs/dbraw/zinc/41/92/86/742419286.db2.gz	GVHXQUMEAATCSO-NSHDSACASA-N	-1	1	332.360	-0.449	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001076262589	742425382	/nfs/dbraw/zinc/42/53/82/742425382.db2.gz	LLTPDPJHROMZCB-DGAVXFQQSA-N	-1	1	347.419	-0.268	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001078130825	743489370	/nfs/dbraw/zinc/48/93/70/743489370.db2.gz	NXLYTFUYRGQNLF-MNOVXSKESA-N	-1	1	335.364	-0.903	20	30		EBEDMM
Cn1[n-]c(CN2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)nc1=O	ZINC000981761740	806271077	/nfs/dbraw/zinc/27/10/77/806271077.db2.gz	QEVGSQBHGMVAJG-UHFFFAOYSA-N	-1	1	329.404	-0.054	20	30		EBEDMM
N#CCN1CCCC2(CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC000982116349	806401325	/nfs/dbraw/zinc/40/13/25/806401325.db2.gz	LTFOXPXHFVQUHK-UHFFFAOYSA-N	-1	1	327.348	-0.521	20	30		EBEDMM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC000982729321	806670575	/nfs/dbraw/zinc/67/05/75/806670575.db2.gz	VBUFGMCDMOGJAX-IYBDPMFKSA-N	-1	1	341.375	-0.275	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001015678735	810557646	/nfs/dbraw/zinc/55/76/46/810557646.db2.gz	MDMXHGKIUDCFOE-ZDUSSCGKSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1	ZINC001080408712	812018409	/nfs/dbraw/zinc/01/84/09/812018409.db2.gz	OCDKNPQQWCWVQJ-BXUZGUMPSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001081424378	812911140	/nfs/dbraw/zinc/91/11/40/812911140.db2.gz	DRFQWZANJXEXNV-TZMCWYRMSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001081428528	812922781	/nfs/dbraw/zinc/92/27/81/812922781.db2.gz	RMIAEBBFONCPSU-TZMCWYRMSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081463133	812995302	/nfs/dbraw/zinc/99/53/02/812995302.db2.gz	JUGDJOYVRMUKGR-OCCSQVGLSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1=O	ZINC001083423094	814403108	/nfs/dbraw/zinc/40/31/08/814403108.db2.gz	DPCFVKRMWISGIR-DYEKYZERSA-N	-1	1	346.387	-0.651	20	30		EBEDMM
N#CCCCNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2	ZINC001269576326	814733723	/nfs/dbraw/zinc/73/37/23/814733723.db2.gz	IPCWBTLVHDGOIU-NSHDSACASA-N	-1	1	331.380	-0.209	20	30		EBEDMM
N#CCCCN1C(=O)C[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269576286	814733794	/nfs/dbraw/zinc/73/37/94/814733794.db2.gz	HFOZOXXYCZPZEE-HNNXBMFYSA-N	-1	1	345.363	-0.586	20	30		EBEDMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1c[nH]c(C#N)c1	ZINC001085556686	816071373	/nfs/dbraw/zinc/07/13/73/816071373.db2.gz	XKCDDKMYCYJGRJ-GFCCVEGCSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC001274634469	817048616	/nfs/dbraw/zinc/04/86/16/817048616.db2.gz	QEHIKAXTNMYECK-QWRGUYRKSA-N	-1	1	335.364	-0.485	20	30		EBEDMM
COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC001274634470	817049331	/nfs/dbraw/zinc/04/93/31/817049331.db2.gz	QEHIKAXTNMYECK-WDEREUQCSA-N	-1	1	335.364	-0.485	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1	ZINC001090554250	817536166	/nfs/dbraw/zinc/53/61/66/817536166.db2.gz	WFTJPYBWFDSJSZ-NEPJUHHUSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
C=CCC[C@H](C)N1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001278926971	817893869	/nfs/dbraw/zinc/89/38/69/817893869.db2.gz	GPAXQRKXUMSIEE-JTQLQIEISA-N	-1	1	325.369	-0.793	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001279612849	817959793	/nfs/dbraw/zinc/95/97/93/817959793.db2.gz	CFNAEHOMDVIDJF-AHIWAGSCSA-N	-1	1	349.435	-0.142	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC(OC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001093517284	818039239	/nfs/dbraw/zinc/03/92/39/818039239.db2.gz	HEJHCPALQCYLIW-LLVKDONJSA-N	-1	1	348.407	-0.540	20	30		EBEDMM
Cc1cc(C#N)nc(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001093746101	818094102	/nfs/dbraw/zinc/09/41/02/818094102.db2.gz	BWNKWCVKIURTSU-UHFFFAOYSA-N	-1	1	339.319	-0.770	20	30		EBEDMM
Cc1ccc(C#N)c(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001093746415	818094303	/nfs/dbraw/zinc/09/43/03/818094303.db2.gz	JMHFHDMDNHNSPD-UHFFFAOYSA-N	-1	1	338.331	-0.165	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1ccncc1C#N	ZINC001093760839	818096148	/nfs/dbraw/zinc/09/61/48/818096148.db2.gz	IJFKQCSEJIQEJR-UHFFFAOYSA-N	-1	1	330.304	-0.573	20	30		EBEDMM
C#CCCN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001094626237	818304850	/nfs/dbraw/zinc/30/48/50/818304850.db2.gz	YUDMXZANVKLEGT-QWHCGFSZSA-N	-1	1	349.412	-0.266	20	30		EBEDMM
C#CCN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001094625902	818304947	/nfs/dbraw/zinc/30/49/47/818304947.db2.gz	GCZDZCFQEXCNRT-NWDGAFQWSA-N	-1	1	335.385	-0.656	20	30		EBEDMM
C#CCCN1CC(N2C[C@@H](NC(=O)c3ncccc3[O-])CC2=O)C1	ZINC001094730799	818380765	/nfs/dbraw/zinc/38/07/65/818380765.db2.gz	IWKZTWQIYSRGLU-LBPRGKRZSA-N	-1	1	328.372	-0.175	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001282801945	818495550	/nfs/dbraw/zinc/49/55/50/818495550.db2.gz	XXOLCLXMGUZCOZ-NEPJUHHUSA-N	-1	1	335.408	-0.527	20	30		EBEDMM
CC(C)C#CC(=O)NCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001283241074	818715036	/nfs/dbraw/zinc/71/50/36/818715036.db2.gz	DDEQWGOTMDVJJH-UHFFFAOYSA-N	-1	1	334.376	-0.791	20	30		EBEDMM
C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC001096190535	818741483	/nfs/dbraw/zinc/74/14/83/818741483.db2.gz	FDVDQZJOJYIMLX-XBFCOCLRSA-N	-1	1	340.387	-0.184	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)nn1	ZINC001097949873	819061965	/nfs/dbraw/zinc/06/19/65/819061965.db2.gz	DNLQOCXZCPROTN-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001284507998	819261757	/nfs/dbraw/zinc/26/17/57/819261757.db2.gz	ATAOHWICROZKKQ-ZDUSSCGKSA-N	-1	1	337.424	-0.447	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001284929125	819415937	/nfs/dbraw/zinc/41/59/37/819415937.db2.gz	PTMBBELFCOIWQD-UHFFFAOYSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285355647	819553357	/nfs/dbraw/zinc/55/33/57/819553357.db2.gz	IGFICXXDBDWUFA-WDEREUQCSA-N	-1	1	344.375	-0.156	20	30		EBEDMM
C[C@H](CNC(=O)[C@@H](C)C#N)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285829850	819780961	/nfs/dbraw/zinc/78/09/61/819780961.db2.gz	LDIIXGAQAPGYJY-WDEREUQCSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C=CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1	ZINC001099999529	820007409	/nfs/dbraw/zinc/00/74/09/820007409.db2.gz	YUTGPLAQDRGANL-STQMWFEESA-N	-1	1	349.435	-0.094	20	30		EBEDMM
CN(CCNc1ccncc1C#N)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699090	820883270	/nfs/dbraw/zinc/88/32/70/820883270.db2.gz	IRHJYMWQJKVAPP-UHFFFAOYSA-N	-1	1	338.331	-0.710	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001295025905	821037720	/nfs/dbraw/zinc/03/77/20/821037720.db2.gz	PRYXCOLUQALVTQ-NSHDSACASA-N	-1	1	342.359	-0.592	20	30		EBEDMM
C#CCCCC(=O)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001299013901	821625928	/nfs/dbraw/zinc/62/59/28/821625928.db2.gz	UGMDSLSJROUBCO-LLVKDONJSA-N	-1	1	342.359	-0.448	20	30		EBEDMM
C[C@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107843167	823997146	/nfs/dbraw/zinc/99/71/46/823997146.db2.gz	FGKGCXPZJFREMQ-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110182943	824673096	/nfs/dbraw/zinc/67/30/96/824673096.db2.gz	FZLHCWDVOYTUTE-RNJOBUHISA-N	-1	1	335.408	-0.079	20	30		EBEDMM
C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001111482936	825153874	/nfs/dbraw/zinc/15/38/74/825153874.db2.gz	YQZMYAGATIWILF-UPJWGTAASA-N	-1	1	335.408	-0.077	20	30		EBEDMM
N=C(c1ccccc1N)N([O-])C(=O)CCC(=O)N1CCNC(=O)CC1	ZINC001180269983	833066916	/nfs/dbraw/zinc/06/69/16/833066916.db2.gz	XZUDRQCJLYTOOL-UHFFFAOYSA-N	-1	1	347.375	-0.059	20	30		EBEDMM
CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncccc1[O-]	ZINC001124330073	827816729	/nfs/dbraw/zinc/81/67/29/827816729.db2.gz	ZYGAKALKGGGHMO-LLVKDONJSA-N	-1	1	328.332	-0.006	20	30		EBEDMM
CCOC(=O)N[C@@H](CC(N)=O)C(=O)N([O-])C(=N)c1ccccc1N	ZINC001185869782	833373453	/nfs/dbraw/zinc/37/34/53/833373453.db2.gz	KCPKDEVUARORLU-JTQLQIEISA-N	-1	1	337.336	-0.198	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)CCC(=O)NCc1cccnc1	ZINC001142322604	830127308	/nfs/dbraw/zinc/12/73/08/830127308.db2.gz	XEJLJKSGNIHUCO-UHFFFAOYSA-N	-1	1	333.308	-0.313	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001148874287	830550339	/nfs/dbraw/zinc/55/03/39/830550339.db2.gz	PJAQANSBDBLSFL-LBPRGKRZSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149573404	830699629	/nfs/dbraw/zinc/69/96/29/830699629.db2.gz	KNXBBSISPPOKCK-CYBMUJFWSA-N	-1	1	346.387	-0.643	20	30		EBEDMM
N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149574056	830700076	/nfs/dbraw/zinc/70/00/76/830700076.db2.gz	UVABGWWVEJHLTN-LBPRGKRZSA-N	-1	1	347.375	-0.752	20	30		EBEDMM
C#C[C@H](CO)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC001351025902	832211614	/nfs/dbraw/zinc/21/16/14/832211614.db2.gz	VDTIHMYQPPIFFB-GFCCVEGCSA-N	-1	1	334.376	-0.630	20	30		EBEDMM
CC(=O)N1CC[C@@H](N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])C1	ZINC001169535744	832466679	/nfs/dbraw/zinc/46/66/79/832466679.db2.gz	YGVSUARDGRCQAT-GHMZBOCLSA-N	-1	1	341.370	-0.377	20	30		EBEDMM
CCN(CCNC(=O)C#CC(C)C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001356044843	832596115	/nfs/dbraw/zinc/59/61/15/832596115.db2.gz	UKWDCEZUGHOHMF-UHFFFAOYSA-N	-1	1	344.375	-0.345	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187882376	833976418	/nfs/dbraw/zinc/97/64/18/833976418.db2.gz	NWAZQZCIOJACPE-FRRDWIJNSA-N	-1	1	333.392	-0.821	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001328240224	840629907	/nfs/dbraw/zinc/62/99/07/840629907.db2.gz	PMQRFABCSZBZMZ-CMPLNLGQSA-N	-1	1	333.392	-0.244	20	30		EBEDMM
C=CCOCC(=O)N[C@]12CCC[C@@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001332082726	841567841	/nfs/dbraw/zinc/56/78/41/841567841.db2.gz	QBQYXOJNKQVFFE-LRDDRELGSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C#C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C	ZINC001573279216	946634940	/nfs/dbraw/zinc/63/49/40/946634940.db2.gz	DGCZLQMOWDHAST-SNVBAGLBSA-N	-1	1	345.363	-0.317	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1	ZINC001573284332	946743112	/nfs/dbraw/zinc/74/31/12/946743112.db2.gz	ZINOWBXGVYLNSB-JTQLQIEISA-N	-1	1	330.352	-0.651	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1	ZINC001573284332	946743120	/nfs/dbraw/zinc/74/31/20/946743120.db2.gz	ZINOWBXGVYLNSB-JTQLQIEISA-N	-1	1	330.352	-0.651	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573286535	946813069	/nfs/dbraw/zinc/81/30/69/946813069.db2.gz	DITVNUHVGZQODN-JTQLQIEISA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573286535	946813078	/nfs/dbraw/zinc/81/30/78/946813078.db2.gz	DITVNUHVGZQODN-JTQLQIEISA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573287246	946833612	/nfs/dbraw/zinc/83/36/12/946833612.db2.gz	MQRYYGXNCYJHCJ-UWVGGRQHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573287246	946833624	/nfs/dbraw/zinc/83/36/24/946833624.db2.gz	MQRYYGXNCYJHCJ-UWVGGRQHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573288737	946877145	/nfs/dbraw/zinc/87/71/45/946877145.db2.gz	YIYANIQNHOXCBG-UWVGGRQHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573288737	946877161	/nfs/dbraw/zinc/87/71/61/946877161.db2.gz	YIYANIQNHOXCBG-UWVGGRQHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573562310	946972866	/nfs/dbraw/zinc/97/28/66/946972866.db2.gz	SFTVBXLUWIOWJN-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573562310	946972873	/nfs/dbraw/zinc/97/28/73/946972873.db2.gz	SFTVBXLUWIOWJN-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573562281	946973272	/nfs/dbraw/zinc/97/32/72/946973272.db2.gz	RVMGBDXIDLCNAN-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573562281	946973278	/nfs/dbraw/zinc/97/32/78/946973278.db2.gz	RVMGBDXIDLCNAN-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566682	947030482	/nfs/dbraw/zinc/03/04/82/947030482.db2.gz	FJBHJZAQBGQPRE-VHSXEESVSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573567229	947040952	/nfs/dbraw/zinc/04/09/52/947040952.db2.gz	KMUJJTADPKMIIP-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573567229	947040964	/nfs/dbraw/zinc/04/09/64/947040964.db2.gz	KMUJJTADPKMIIP-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573569966	947080959	/nfs/dbraw/zinc/08/09/59/947080959.db2.gz	HTOLREFXHKGDIT-GARJFASQSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573569966	947080971	/nfs/dbraw/zinc/08/09/71/947080971.db2.gz	HTOLREFXHKGDIT-GARJFASQSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573570347	947086134	/nfs/dbraw/zinc/08/61/34/947086134.db2.gz	MXBUVXOXYAVZQH-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573570347	947086148	/nfs/dbraw/zinc/08/61/48/947086148.db2.gz	MXBUVXOXYAVZQH-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573570733	947092352	/nfs/dbraw/zinc/09/23/52/947092352.db2.gz	SPTFLAAHTQCHPU-OPRDCNLKSA-N	-1	1	327.352	-0.503	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573572425	947113341	/nfs/dbraw/zinc/11/33/41/947113341.db2.gz	HPOQCSHNJSRGAD-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573572425	947113346	/nfs/dbraw/zinc/11/33/46/947113346.db2.gz	HPOQCSHNJSRGAD-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573576970	947158259	/nfs/dbraw/zinc/15/82/59/947158259.db2.gz	KNLWCXSWVCQSQT-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573576970	947158263	/nfs/dbraw/zinc/15/82/63/947158263.db2.gz	KNLWCXSWVCQSQT-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573309042	947190014	/nfs/dbraw/zinc/19/00/14/947190014.db2.gz	BWYGZPMLNMETOH-OAHLLOKOSA-N	-1	1	346.395	-0.122	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573309042	947190019	/nfs/dbraw/zinc/19/00/19/947190019.db2.gz	BWYGZPMLNMETOH-OAHLLOKOSA-N	-1	1	346.395	-0.122	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309081	947191911	/nfs/dbraw/zinc/19/19/11/947191911.db2.gz	CJWBPZQCGPEPSG-BONVTDFDSA-N	-1	1	344.379	-0.582	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1	ZINC001573583723	947207392	/nfs/dbraw/zinc/20/73/92/947207392.db2.gz	OEAHYYKDIOVACC-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584754	947232902	/nfs/dbraw/zinc/23/29/02/947232902.db2.gz	DFAKJHMVUVORMP-OPRDCNLKSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001573434816	948219007	/nfs/dbraw/zinc/21/90/07/948219007.db2.gz	XCBMECVNCYIKGX-JTQLQIEISA-N	-1	1	327.352	-0.167	20	30		EBEDMM
CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001573434816	948219017	/nfs/dbraw/zinc/21/90/17/948219017.db2.gz	XCBMECVNCYIKGX-JTQLQIEISA-N	-1	1	327.352	-0.167	20	30		EBEDMM
C[S@](=N)(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001570935358	948980016	/nfs/dbraw/zinc/98/00/16/948980016.db2.gz	RNTNUBCZYDFOCK-HSZRJFAPSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
C[S@](=N)(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001570935358	948980024	/nfs/dbraw/zinc/98/00/24/948980024.db2.gz	RNTNUBCZYDFOCK-HSZRJFAPSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001574472355	949553780	/nfs/dbraw/zinc/55/37/80/949553780.db2.gz	SYOWTAAMEIPELW-VIFPVBQESA-N	-1	1	336.381	-0.170	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1	ZINC001574472355	949553798	/nfs/dbraw/zinc/55/37/98/949553798.db2.gz	SYOWTAAMEIPELW-VIFPVBQESA-N	-1	1	336.381	-0.170	20	30		EBEDMM
C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1	ZINC001576214421	950671165	/nfs/dbraw/zinc/67/11/65/950671165.db2.gz	AGUULUNIOBLRQN-JQWIXIFHSA-N	-1	1	338.375	-0.249	20	30		EBEDMM
CON=CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001604662216	973841941	/nfs/dbraw/zinc/84/19/41/973841941.db2.gz	XKOXVOYGMCSPQY-SVRRBLITSA-N	-1	1	325.243	-0.259	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)NC(C)(C)C(=O)[O-])c1ccn[nH]1	ZINC001603796352	974263708	/nfs/dbraw/zinc/26/37/08/974263708.db2.gz	FSOSJCKACDPSNP-UHFFFAOYSA-N	-1	1	326.309	-0.327	20	30		EBEDMM
C#CCNC(=O)CN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588484107	983522638	/nfs/dbraw/zinc/52/26/38/983522638.db2.gz	QJMRGEIEHADVBV-CHWSQXEVSA-N	-1	1	335.404	-0.325	20	30		EBEDMM
C#CCNC(=O)CN1CCC(C)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588484108	983522860	/nfs/dbraw/zinc/52/28/60/983522860.db2.gz	QJMRGEIEHADVBV-OLZOCXBDSA-N	-1	1	335.404	-0.325	20	30		EBEDMM
COC(=O)[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598818188	996293972	/nfs/dbraw/zinc/29/39/72/996293972.db2.gz	AHPVHQRRFBRHBM-UONOGXRCSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001480921866	1125869737	/nfs/dbraw/zinc/86/97/37/1125869737.db2.gz	XTCWSABHNXDRIK-GFCCVEGCSA-N	-1	1	338.412	-0.873	20	30		EBEDMM
CC[C@@H](CO)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412731864	1129604447	/nfs/dbraw/zinc/60/44/47/1129604447.db2.gz	SAJKBEMWLKSCGC-ZDUSSCGKSA-N	-1	1	349.391	-0.874	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001358604921	1131225412	/nfs/dbraw/zinc/22/54/12/1131225412.db2.gz	HPULCAWCJPVDQQ-LLVKDONJSA-N	-1	1	340.343	-0.838	20	30		EBEDMM
N#Cc1cn(CC(=O)N2CCN(C3CCOCC3)CC2)c(=O)[n-]c1=O	ZINC001362061638	1131507551	/nfs/dbraw/zinc/50/75/51/1131507551.db2.gz	IOZIWZVQUADEKG-UHFFFAOYSA-N	-1	1	347.375	-0.856	20	30		EBEDMM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCN1CC(C)(C)O	ZINC001362370357	1131570214	/nfs/dbraw/zinc/57/02/14/1131570214.db2.gz	ZVYTUFUBYWZVCZ-LLVKDONJSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
Cc1c(C#N)c(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)c(=O)n1C	ZINC001364615712	1132375123	/nfs/dbraw/zinc/37/51/23/1132375123.db2.gz	WWZLMBXVDUEGPS-UHFFFAOYSA-N	-1	1	346.265	-0.635	20	30		EBEDMM
CCN(CCC#N)S(=O)(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001365454852	1132686061	/nfs/dbraw/zinc/68/60/61/1132686061.db2.gz	UCXNWSIGRWYRNC-UHFFFAOYSA-N	-1	1	341.393	-0.175	20	30		EBEDMM
C=C(Br)CNC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001367741220	1133767774	/nfs/dbraw/zinc/76/77/74/1133767774.db2.gz	UOPRKHUNHUVEIX-LURJTMIESA-N	-1	1	332.158	-0.101	20	30		EBEDMM
CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000427892939	376929109	/nfs/dbraw/zinc/92/91/09/376929109.db2.gz	NXFLJZKCONKMOE-ZDUSSCGKSA-N	-1	1	340.361	-0.535	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CC2)cc1	ZINC000572416859	378757827	/nfs/dbraw/zinc/75/78/27/378757827.db2.gz	IFUYNZSTZLMWOP-UHFFFAOYSA-N	-1	1	347.360	-0.845	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000491209864	379589221	/nfs/dbraw/zinc/58/92/21/379589221.db2.gz	MVNWIKNBELTJKK-UHFFFAOYSA-N	-1	1	347.331	-0.797	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(=O)OC	ZINC000360596804	380264718	/nfs/dbraw/zinc/26/47/18/380264718.db2.gz	JNWRFWGFIJOFEF-TUAOUCFPSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccnc(C#N)n1	ZINC000583214165	381112133	/nfs/dbraw/zinc/11/21/33/381112133.db2.gz	LSHFYPJUYPYQBK-UHFFFAOYSA-N	-1	1	340.390	-0.369	20	30		EBEDMM
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1	ZINC000349474247	381147240	/nfs/dbraw/zinc/14/72/40/381147240.db2.gz	JLPHPGMZQMZWJN-UHFFFAOYSA-N	-1	1	345.393	-0.264	20	30		EBEDMM
C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)o1)CN1CCOCC1	ZINC000344516153	156234501	/nfs/dbraw/zinc/23/45/01/156234501.db2.gz	OPPSOTRBHJWRTR-ZDUSSCGKSA-N	-1	1	329.378	-0.487	20	30		EBEDMM
C=C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000646602491	420676715	/nfs/dbraw/zinc/67/67/15/420676715.db2.gz	RHIQOCTZBSXIOU-GFCCVEGCSA-N	-1	1	342.373	-0.102	20	30		EBEDMM
CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349536507	421271920	/nfs/dbraw/zinc/27/19/20/421271920.db2.gz	YECQXLODERLGSK-UHFFFAOYSA-N	-1	1	346.434	0.367	20	30		EBEDMM
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)c([O-])c1	ZINC000442658471	265326249	/nfs/dbraw/zinc/32/62/49/265326249.db2.gz	ZPDVLNCHIAQVKD-LBPRGKRZSA-N	-1	1	330.344	-0.269	20	30		EBEDMM
CN(C)S(=O)(=O)c1ccc(Cn2ccc(C=N[O-])nc2=O)o1	ZINC000736302784	582929139	/nfs/dbraw/zinc/92/91/39/582929139.db2.gz	QTONEURKRJFVKP-UHFFFAOYSA-N	-1	1	326.334	-0.057	20	30		EBEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCCn2ncc(C#N)c2N)o1	ZINC000761153214	583238008	/nfs/dbraw/zinc/23/80/08/583238008.db2.gz	BAFMYHZZQBCVSP-UHFFFAOYSA-N	-1	1	339.333	-0.305	20	30		EBEDMM
N#C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1	ZINC000822806840	583818352	/nfs/dbraw/zinc/81/83/52/583818352.db2.gz	UFEAUJQIMAVBHN-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1	ZINC000822806840	583818354	/nfs/dbraw/zinc/81/83/54/583818354.db2.gz	UFEAUJQIMAVBHN-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
CC1(C)NC(=O)N(CCCn2cnc(C#N)c2-c2nn[n-]n2)C1=O	ZINC000824813030	583850344	/nfs/dbraw/zinc/85/03/44/583850344.db2.gz	TVWWZIBZQHYODR-UHFFFAOYSA-N	-1	1	329.324	-0.345	20	30		EBEDMM
COCC#CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000826147479	583883213	/nfs/dbraw/zinc/88/32/13/583883213.db2.gz	YVYIKACLCNRCAT-GFCCVEGCSA-N	-1	1	328.380	-0.183	20	30		EBEDMM
COCC#CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000826147479	583883214	/nfs/dbraw/zinc/88/32/14/583883214.db2.gz	YVYIKACLCNRCAT-GFCCVEGCSA-N	-1	1	328.380	-0.183	20	30		EBEDMM
Cc1onc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1-c1nnn[n-]1	ZINC000826344842	583892447	/nfs/dbraw/zinc/89/24/47/583892447.db2.gz	UDPMNKZYRWIXRL-NSHDSACASA-N	-1	1	342.363	-0.096	20	30		EBEDMM
Cc1onc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1-c1nn[n-]n1	ZINC000826344842	583892450	/nfs/dbraw/zinc/89/24/50/583892450.db2.gz	UDPMNKZYRWIXRL-NSHDSACASA-N	-1	1	342.363	-0.096	20	30		EBEDMM
C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N(C)CC(=O)[O-]	ZINC000828500984	583941042	/nfs/dbraw/zinc/94/10/42/583941042.db2.gz	ZSVHGJDWJZWREE-LBPRGKRZSA-N	-1	1	346.391	-0.208	20	30		EBEDMM
CNC(=O)CNC(=S)NN=C1CCCc2c(C#N)c(=O)[n-]cc21	ZINC000844581365	584095138	/nfs/dbraw/zinc/09/51/38/584095138.db2.gz	MAIRZXOABNMJKL-UHFFFAOYSA-N	-1	1	332.389	-0.091	20	30		EBEDMM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	ZINC000855603052	584261230	/nfs/dbraw/zinc/26/12/30/584261230.db2.gz	KOPVJCOLUUETCC-JTQLQIEISA-N	-1	1	337.357	-0.632	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000867902840	584420626	/nfs/dbraw/zinc/42/06/26/584420626.db2.gz	RGWDOGOCWYJBTB-QMMMGPOBSA-N	-1	1	342.343	-0.067	20	30		EBEDMM
N#CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000737696639	598252929	/nfs/dbraw/zinc/25/29/29/598252929.db2.gz	SPZLODWKUVEXPN-UHFFFAOYSA-N	-1	1	334.365	-0.908	20	30		EBEDMM
N#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000737696639	598252930	/nfs/dbraw/zinc/25/29/30/598252930.db2.gz	SPZLODWKUVEXPN-UHFFFAOYSA-N	-1	1	334.365	-0.908	20	30		EBEDMM
N#C[C@@]12CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2	ZINC000932961939	651705480	/nfs/dbraw/zinc/70/54/80/651705480.db2.gz	IMZRZJSONPBJEF-KOLCDFICSA-N	-1	1	339.339	-0.075	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000941663738	652865692	/nfs/dbraw/zinc/86/56/92/652865692.db2.gz	BDBLZBDHVXIBMP-LLVKDONJSA-N	-1	1	340.343	-0.838	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1	ZINC000950406774	654122193	/nfs/dbraw/zinc/12/21/93/654122193.db2.gz	IAIIEUVIOAYCNU-UHFFFAOYSA-N	-1	1	326.360	-0.557	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224773	654425465	/nfs/dbraw/zinc/42/54/65/654425465.db2.gz	NLGOQWKYZNFUJM-LLVKDONJSA-N	-1	1	340.343	-0.838	20	30		EBEDMM
N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)c[nH]1	ZINC000962388227	723237840	/nfs/dbraw/zinc/23/78/40/723237840.db2.gz	SSDYEBCLYNGPKD-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC000968164128	724971749	/nfs/dbraw/zinc/97/17/49/724971749.db2.gz	XDASZWDRVXYOIF-QMMMGPOBSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC000972754398	725590265	/nfs/dbraw/zinc/59/02/65/725590265.db2.gz	YKLVTHTVLJJNEU-CYBMUJFWSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nc1=O	ZINC000973007530	725618025	/nfs/dbraw/zinc/61/80/25/725618025.db2.gz	YXEDNWQHTNVXFQ-LBPRGKRZSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
Cn1[n-]c(CN2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O	ZINC001001331717	726602913	/nfs/dbraw/zinc/60/29/13/726602913.db2.gz	YEPBXVRIOXFALD-UHFFFAOYSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1	ZINC001011635662	727551659	/nfs/dbraw/zinc/55/16/59/727551659.db2.gz	HYOZCRDHEGWTEU-MRVPVSSYSA-N	-1	1	335.320	-0.660	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC001027833098	730241562	/nfs/dbraw/zinc/24/15/62/730241562.db2.gz	NDBOGMRRTVASIP-LBPRGKRZSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001028143058	730270961	/nfs/dbraw/zinc/27/09/61/730270961.db2.gz	XDUKOJNQCSVUJN-UPJWGTAASA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#Cc1cncc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001031965509	730797081	/nfs/dbraw/zinc/79/70/81/730797081.db2.gz	MKRLAKDQIHDBKM-UHFFFAOYSA-N	-1	1	326.360	-0.654	20	30		EBEDMM
C#Cc1ccc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001032136619	730818050	/nfs/dbraw/zinc/81/80/50/730818050.db2.gz	CMTYLBIDAYFVLR-UHFFFAOYSA-N	-1	1	326.360	-0.654	20	30		EBEDMM
CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033019872	730957628	/nfs/dbraw/zinc/95/76/28/730957628.db2.gz	LCJMJWKESUCFEU-GFCCVEGCSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001039300673	731426883	/nfs/dbraw/zinc/42/68/83/731426883.db2.gz	ZTWMZKXEASGNBR-AGUYFDCRSA-N	-1	1	345.403	-0.048	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039579066	731449432	/nfs/dbraw/zinc/44/94/32/731449432.db2.gz	CRYYQPLTXCSJPP-IAGOWNOFSA-N	-1	1	349.387	-0.193	20	30		EBEDMM
C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061422759	738534368	/nfs/dbraw/zinc/53/43/68/738534368.db2.gz	BHNNZVXXGBLQTE-LBPRGKRZSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042719775	732550625	/nfs/dbraw/zinc/55/06/25/732550625.db2.gz	LJLNLLSVEQCOTQ-NSHDSACASA-N	-1	1	333.344	-0.871	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001046680251	734000082	/nfs/dbraw/zinc/00/00/82/734000082.db2.gz	AHNLVDUKBIMVQW-OAHLLOKOSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048722604	734483187	/nfs/dbraw/zinc/48/31/87/734483187.db2.gz	QFFYOSUUABWVHD-PLQHRBFRSA-N	-1	1	349.387	-0.242	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048722603	734483276	/nfs/dbraw/zinc/48/32/76/734483276.db2.gz	QFFYOSUUABWVHD-BNLOLNQZSA-N	-1	1	349.387	-0.242	20	30		EBEDMM
N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001049788562	734790624	/nfs/dbraw/zinc/79/06/24/734790624.db2.gz	OEPJZKZHXUMAMP-STQMWFEESA-N	-1	1	331.376	-0.484	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O	ZINC001065586312	739779268	/nfs/dbraw/zinc/77/92/68/739779268.db2.gz	AUQSQDIRGMHTTD-AAEUAGOBSA-N	-1	1	340.343	-0.229	20	30		EBEDMM
C#CCN1CCO[C@H]2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C[C@@H]21	ZINC001074382421	741921309	/nfs/dbraw/zinc/92/13/09/741921309.db2.gz	KVSSYICEKUMOBI-QWRGUYRKSA-N	-1	1	348.359	-0.555	20	30		EBEDMM
C#CCN1CCO[C@@H]2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C[C@@H]21	ZINC001074382422	741921528	/nfs/dbraw/zinc/92/15/28/741921528.db2.gz	KVSSYICEKUMOBI-WDEREUQCSA-N	-1	1	348.359	-0.555	20	30		EBEDMM
CC#CCN1C[C@@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC001075984840	742349275	/nfs/dbraw/zinc/34/92/75/742349275.db2.gz	XCJGGPBLZNTJKN-WCQYABFASA-N	-1	1	331.376	-0.229	20	30		EBEDMM
N#CCN1CCCC2(CN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC000982072110	806393013	/nfs/dbraw/zinc/39/30/13/806393013.db2.gz	WLEZHULVLGGJMX-UHFFFAOYSA-N	-1	1	331.376	-0.625	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC000970399975	803821981	/nfs/dbraw/zinc/82/19/81/803821981.db2.gz	WCNTZBHKNWNBSF-LLVKDONJSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](C)C#N	ZINC000978050853	804633529	/nfs/dbraw/zinc/63/35/29/804633529.db2.gz	HBQKVBFVLOJIGY-IUCAKERBSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000979279218	805257403	/nfs/dbraw/zinc/25/74/03/805257403.db2.gz	USDIYOUAFKUAHV-BXKDBHETSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000979279229	805257676	/nfs/dbraw/zinc/25/76/76/805257676.db2.gz	USDIYOUAFKUAHV-CABZTGNLSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C	ZINC000989040616	808355317	/nfs/dbraw/zinc/35/53/17/808355317.db2.gz	MABFVMDMUNFOOS-AEJSXWLSSA-N	-1	1	343.347	-0.704	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CC(NC(=O)c3[nH]nc(C)c3[O-])C2)CC1	ZINC000990867335	808957227	/nfs/dbraw/zinc/95/72/27/808957227.db2.gz	DBZSKAGMPYDBCR-UHFFFAOYSA-N	-1	1	345.403	-0.290	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991407383	809425242	/nfs/dbraw/zinc/42/52/42/809425242.db2.gz	DXTZCXBFYOAZDZ-JSGCOSHPSA-N	-1	1	329.356	-0.108	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001008468338	810170081	/nfs/dbraw/zinc/17/00/81/810170081.db2.gz	KCASBRFRMZNSOB-CQSZACIVSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[n-]1	ZINC001226188570	811850569	/nfs/dbraw/zinc/85/05/69/811850569.db2.gz	UJKRSBQKYMUZFZ-YNEHKIRRSA-N	-1	1	335.408	-0.336	20	30		EBEDMM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c[nH]c(C(=O)OC)cc1=O	ZINC001227785049	811943006	/nfs/dbraw/zinc/94/30/06/811943006.db2.gz	AUVJHZQTFWPBQZ-VIFPVBQESA-N	-1	1	347.345	-0.001	20	30		EBEDMM
CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001080413231	812019519	/nfs/dbraw/zinc/01/95/19/812019519.db2.gz	SZLNVRCVVOZYNS-QMMMGPOBSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
O=C(CC#Cc1ccccc1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001268333894	814214455	/nfs/dbraw/zinc/21/44/55/814214455.db2.gz	HUJKGWNQHBLOCE-CYBMUJFWSA-N	-1	1	329.360	-0.481	20	30		EBEDMM
CC#CCN1C[C@H]2OCCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)[C@H]2C1	ZINC001083247003	814234259	/nfs/dbraw/zinc/23/42/59/814234259.db2.gz	VZSGHAPOEYFGFF-WDEREUQCSA-N	-1	1	348.359	-0.555	20	30		EBEDMM
Cn1[n-]c(CN2CC(NC(=O)CC#Cc3ccccc3)C2)nc1=O	ZINC001268483653	814260112	/nfs/dbraw/zinc/26/01/12/814260112.db2.gz	QDYDRMSOMIGUKZ-UHFFFAOYSA-N	-1	1	325.372	-0.149	20	30		EBEDMM
N#CCCCN1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O	ZINC001269575981	814732560	/nfs/dbraw/zinc/73/25/60/814732560.db2.gz	DHGUQJLCCFOHKN-CHWSQXEVSA-N	-1	1	339.306	-0.853	20	30		EBEDMM
N#CCC1CN(C(=O)[C@@H]2CC23CCN(C(=O)Cc2nn[n-]n2)CC3)C1	ZINC001270787974	815890334	/nfs/dbraw/zinc/89/03/34/815890334.db2.gz	CMLQSQAZSUPMBH-LBPRGKRZSA-N	-1	1	343.391	-0.257	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001271139789	816000233	/nfs/dbraw/zinc/00/02/33/816000233.db2.gz	ZCBDZEJZJYDCAN-MRXNPFEDSA-N	-1	1	334.376	-0.744	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001086971415	816427326	/nfs/dbraw/zinc/42/73/26/816427326.db2.gz	NBTZZERFCLGABP-ZMLRMANQSA-N	-1	1	344.379	-0.512	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001272583015	816486374	/nfs/dbraw/zinc/48/63/74/816486374.db2.gz	UZRAIYVLNKKSEM-NSHDSACASA-N	-1	1	346.395	-0.070	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1	ZINC001090404646	817365709	/nfs/dbraw/zinc/36/57/09/817365709.db2.gz	UCZXNBBWNINZAN-HOTGVXAUSA-N	-1	1	348.447	-0.050	20	30		EBEDMM
C#CCN(C(=O)c1ncc[nH]1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001278150962	817710144	/nfs/dbraw/zinc/71/01/44/817710144.db2.gz	HCGHJVFHXWNIPP-UHFFFAOYSA-N	-1	1	343.391	-0.429	20	30		EBEDMM
C#CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001280283121	818031856	/nfs/dbraw/zinc/03/18/56/818031856.db2.gz	OISBMDVYGMRPIC-CHWSQXEVSA-N	-1	1	348.403	-0.260	20	30		EBEDMM
Cc1nsc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)c1C#N	ZINC001093739236	818091933	/nfs/dbraw/zinc/09/19/33/818091933.db2.gz	SROCEBLLJKYVQV-UHFFFAOYSA-N	-1	1	348.388	-0.208	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C	ZINC001282384818	818399279	/nfs/dbraw/zinc/39/92/79/818399279.db2.gz	JMVVTHHCIXCZFE-TUAOUCFPSA-N	-1	1	347.375	-0.808	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)nc1=O	ZINC001099830627	819757655	/nfs/dbraw/zinc/75/76/55/819757655.db2.gz	VODGTQQILDXJBY-VXGBXAGGSA-N	-1	1	335.408	-0.791	20	30		EBEDMM
C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001100020781	820048556	/nfs/dbraw/zinc/04/85/56/820048556.db2.gz	SGRUQSFXARGLLI-RYUDHWBXSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
CN(CCNc1cncc(C#N)n1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101687141	820879500	/nfs/dbraw/zinc/87/95/00/820879500.db2.gz	ZIFUGXCIBBJDFP-UHFFFAOYSA-N	-1	1	343.347	-0.841	20	30		EBEDMM
CN(CCNc1ncccc1C#N)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699290	820884492	/nfs/dbraw/zinc/88/44/92/820884492.db2.gz	SEOFOWIVWIPKAL-UHFFFAOYSA-N	-1	1	338.331	-0.132	20	30		EBEDMM
C=CCCNCc1cn(C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1	ZINC001105276266	821663230	/nfs/dbraw/zinc/66/32/30/821663230.db2.gz	DQOJPVSMPVYHBP-UHFFFAOYSA-N	-1	1	346.351	-0.763	20	30		EBEDMM
C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1	ZINC001107890909	824022171	/nfs/dbraw/zinc/02/21/71/824022171.db2.gz	ZLRHFPSIGZRNNG-QGZVFWFLSA-N	-1	1	346.387	-0.643	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1ccc(C#N)nn1	ZINC001108461230	824295716	/nfs/dbraw/zinc/29/57/16/824295716.db2.gz	DYTKEBYOZVPFHO-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109266789	824514319	/nfs/dbraw/zinc/51/43/19/824514319.db2.gz	FSTKYZWLRLJTCP-RNJOBUHISA-N	-1	1	333.392	-0.632	20	30		EBEDMM
Cc1cc(N[C@@H](CO)CNC(=O)c2ncccc2[O-])c(C#N)cn1	ZINC001121339956	827347824	/nfs/dbraw/zinc/34/78/24/827347824.db2.gz	PWIMJHRHEPFMIV-GFCCVEGCSA-N	-1	1	327.344	-0.013	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001132042848	829311593	/nfs/dbraw/zinc/31/15/93/829311593.db2.gz	ZHTOMIIYTAGUJJ-OLZOCXBDSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])c1ncc2c(n1)CNC2	ZINC001163068817	832081248	/nfs/dbraw/zinc/08/12/48/832081248.db2.gz	SQCRCGSBNXMNLS-JTQLQIEISA-N	-1	1	349.353	-0.400	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001353191952	832415170	/nfs/dbraw/zinc/41/51/70/832415170.db2.gz	BVWZUHNDQFPASX-JQWIXIFHSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187865785	833974874	/nfs/dbraw/zinc/97/48/74/833974874.db2.gz	VKZBLBIJSSNUKF-QWHCGFSZSA-N	-1	1	333.392	-0.819	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187882377	833975810	/nfs/dbraw/zinc/97/58/10/833975810.db2.gz	NWAZQZCIOJACPE-RWMBFGLXSA-N	-1	1	333.392	-0.821	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001192419898	834665066	/nfs/dbraw/zinc/66/50/66/834665066.db2.gz	JPRSZWDCIBGROU-NQBHXWOUSA-N	-1	1	334.376	-0.747	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)N(C)C(=O)[C@@H](C)C#N	ZINC001334397582	842048439	/nfs/dbraw/zinc/04/84/39/842048439.db2.gz	AGNTYILKKQTTFU-WDEREUQCSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001338117407	842752001	/nfs/dbraw/zinc/75/20/01/842752001.db2.gz	OUHAYEQBBJRQAD-QWHCGFSZSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573286536	946811500	/nfs/dbraw/zinc/81/15/00/946811500.db2.gz	DITVNUHVGZQODN-SNVBAGLBSA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573286536	946811506	/nfs/dbraw/zinc/81/15/06/946811506.db2.gz	DITVNUHVGZQODN-SNVBAGLBSA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573286745	946818888	/nfs/dbraw/zinc/81/88/88/946818888.db2.gz	IBKMSBYQLZAWMD-UWVGGRQHSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573287322	946835725	/nfs/dbraw/zinc/83/57/25/946835725.db2.gz	MYTFQYTXFUIFBG-WDEREUQCSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573287322	946835738	/nfs/dbraw/zinc/83/57/38/946835738.db2.gz	MYTFQYTXFUIFBG-WDEREUQCSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573562095	946970336	/nfs/dbraw/zinc/97/03/36/946970336.db2.gz	QSQGHEUXJFPFFU-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573562095	946970339	/nfs/dbraw/zinc/97/03/39/946970339.db2.gz	QSQGHEUXJFPFFU-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573562101	946970790	/nfs/dbraw/zinc/97/07/90/946970790.db2.gz	QSQGHEUXJFPFFU-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573562101	946970799	/nfs/dbraw/zinc/97/07/99/946970799.db2.gz	QSQGHEUXJFPFFU-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566681	947029154	/nfs/dbraw/zinc/02/91/54/947029154.db2.gz	FJBHJZAQBGQPRE-UWVGGRQHSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573567228	947040056	/nfs/dbraw/zinc/04/00/56/947040056.db2.gz	KMUJJTADPKMIIP-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573567228	947040062	/nfs/dbraw/zinc/04/00/62/947040062.db2.gz	KMUJJTADPKMIIP-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573573451	947121539	/nfs/dbraw/zinc/12/15/39/947121539.db2.gz	NIEUJICAXZJLGJ-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573581906	947185102	/nfs/dbraw/zinc/18/51/02/947185102.db2.gz	AFWAUMGSVFWABP-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573581906	947185108	/nfs/dbraw/zinc/18/51/08/947185108.db2.gz	AFWAUMGSVFWABP-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1	ZINC001573582177	947186671	/nfs/dbraw/zinc/18/66/71/947186671.db2.gz	BRFMNLBMFUTCRL-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1	ZINC001573582177	947186678	/nfs/dbraw/zinc/18/66/78/947186678.db2.gz	BRFMNLBMFUTCRL-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573582326	947189258	/nfs/dbraw/zinc/18/92/58/947189258.db2.gz	CVRNUDCFYYNKGN-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573309915	947214132	/nfs/dbraw/zinc/21/41/32/947214132.db2.gz	PTAAACVAYUYKDW-MEBBXXQBSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573309915	947214140	/nfs/dbraw/zinc/21/41/40/947214140.db2.gz	PTAAACVAYUYKDW-MEBBXXQBSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1	ZINC001573310390	947224719	/nfs/dbraw/zinc/22/47/19/947224719.db2.gz	XHXQTAPIOWUWRQ-OAHLLOKOSA-N	-1	1	346.395	-0.074	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1	ZINC001573310390	947224729	/nfs/dbraw/zinc/22/47/29/947224729.db2.gz	XHXQTAPIOWUWRQ-OAHLLOKOSA-N	-1	1	346.395	-0.074	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573584905	947237856	/nfs/dbraw/zinc/23/78/56/947237856.db2.gz	AOIZIAGRGCKAQK-IMSYWVGJSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573584905	947237868	/nfs/dbraw/zinc/23/78/68/947237868.db2.gz	AOIZIAGRGCKAQK-IMSYWVGJSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C=CCCCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573333719	947440461	/nfs/dbraw/zinc/44/04/61/947440461.db2.gz	DLCFAJLWAWDGRU-JTQLQIEISA-N	-1	1	332.368	-0.676	20	30		EBEDMM
C[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1	ZINC001573654457	947966027	/nfs/dbraw/zinc/96/60/27/947966027.db2.gz	RDBPHSHISSLSSB-NTSWFWBYSA-N	-1	1	329.246	-0.020	20	30		EBEDMM
C[C@@H](C(=O)NCc1nc(C#N)cs1)n1cnc(-c2nn[n-]n2)n1	ZINC001573730026	948574694	/nfs/dbraw/zinc/57/46/94/948574694.db2.gz	KJYMVYXZZURNRQ-LURJTMIESA-N	-1	1	330.337	-0.336	20	30		EBEDMM
CC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001570927216	948705513	/nfs/dbraw/zinc/70/55/13/948705513.db2.gz	MSBJUCVHQLGTCV-SNVBAGLBSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
CC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001570927216	948705520	/nfs/dbraw/zinc/70/55/20/948705520.db2.gz	MSBJUCVHQLGTCV-SNVBAGLBSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
C[C@H]1CS(=O)(=O)CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001570934622	948944051	/nfs/dbraw/zinc/94/40/51/948944051.db2.gz	LUZFVDMMLDXBKY-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@H]1CS(=O)(=O)CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1	ZINC001570934622	948944059	/nfs/dbraw/zinc/94/40/59/948944059.db2.gz	LUZFVDMMLDXBKY-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@H]1CC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CS1(=O)=O	ZINC001570935126	948967818	/nfs/dbraw/zinc/96/78/18/948967818.db2.gz	PYHMYXGZMPXISW-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cncc(C#N)c2)n(C)c1=O	ZINC001570936281	949024994	/nfs/dbraw/zinc/02/49/94/949024994.db2.gz	UTLNAKVQCPMFAV-UHFFFAOYSA-N	-1	1	339.319	-0.857	20	30		EBEDMM
CC(C)(CCC#N)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570946818	949549505	/nfs/dbraw/zinc/54/95/05/949549505.db2.gz	QNFOWASCCRBLHR-UHFFFAOYSA-N	-1	1	346.351	-0.425	20	30		EBEDMM
C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574982815	950184213	/nfs/dbraw/zinc/18/42/13/950184213.db2.gz	HMLLRHXUHSBAEP-MRVPVSSYSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574997049	950541266	/nfs/dbraw/zinc/54/12/66/950541266.db2.gz	QIXDKYHDTDTZOQ-MRVPVSSYSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
CN1CC[C@@H](N2CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)C1=O	ZINC001588869880	962044949	/nfs/dbraw/zinc/04/49/49/962044949.db2.gz	AJPMCBPGHLTFFB-MLGOLLRUSA-N	-1	1	336.392	-0.198	20	30		EBEDMM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC001592418044	978020058	/nfs/dbraw/zinc/02/00/58/978020058.db2.gz	DUKKQRPCVUPSCJ-NWDGAFQWSA-N	-1	1	332.426	-0.054	20	30		EBEDMM
COC(=O)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC001598824175	996363383	/nfs/dbraw/zinc/36/33/83/996363383.db2.gz	YZWSDLRUPROSLJ-KBPBESRZSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001691225569	1125844052	/nfs/dbraw/zinc/84/40/52/1125844052.db2.gz	JNMPHJXIJUHERL-OLZOCXBDSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
COCC#CCN(C)CCN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001482632132	1126242596	/nfs/dbraw/zinc/24/25/96/1126242596.db2.gz	NVYUUIAGPVBUFH-UHFFFAOYSA-N	-1	1	331.376	-0.324	20	30		EBEDMM
C#CCN(C(=O)[C@@H](C)OC)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001483981390	1126495135	/nfs/dbraw/zinc/49/51/35/1126495135.db2.gz	VMWYXKLPZPWYAT-GFCCVEGCSA-N	-1	1	335.408	-0.431	20	30		EBEDMM
C=CCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486666385	1127230585	/nfs/dbraw/zinc/23/05/85/1127230585.db2.gz	FSWDQULSMQKVPA-NXEZZACHSA-N	-1	1	348.363	-0.757	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486853039	1127311796	/nfs/dbraw/zinc/31/17/96/1127311796.db2.gz	UKFJMQZHKNYTRD-LLVKDONJSA-N	-1	1	344.375	-0.202	20	30		EBEDMM
COC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)c1nn[n-]n1	ZINC001413552371	1130131672	/nfs/dbraw/zinc/13/16/72/1130131672.db2.gz	JWNIMZRPEOOYTB-SNVBAGLBSA-N	-1	1	332.320	-0.037	20	30		EBEDMM
C=CCOCC(=O)NCCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001492294406	1130634805	/nfs/dbraw/zinc/63/48/05/1130634805.db2.gz	FFOPBRZNYYPHGC-UHFFFAOYSA-N	-1	1	348.363	-0.802	20	30		EBEDMM
CC[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C#CC1CC1	ZINC001356903448	1130992842	/nfs/dbraw/zinc/99/28/42/1130992842.db2.gz	FPUBLABNNGUJDA-ZDUSSCGKSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
N#Cc1cccc(OCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1	ZINC001362433223	1131582202	/nfs/dbraw/zinc/58/22/02/1131582202.db2.gz	CKFAODDRIWBJML-UHFFFAOYSA-N	-1	1	328.332	-0.040	20	30		EBEDMM
COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC001365451969	1132684233	/nfs/dbraw/zinc/68/42/33/1132684233.db2.gz	CGBOIIVSRCYYRU-YUMQZZPRSA-N	-1	1	329.334	-0.504	20	30		EBEDMM
N#CCNS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1CCCC1(F)F	ZINC000594640232	377948377	/nfs/dbraw/zinc/94/83/77/377948377.db2.gz	VBSAJXRMJPCFJT-SECBINFHSA-N	-1	1	345.393	-0.073	20	30		EBEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(F)c1	ZINC000275091078	379461865	/nfs/dbraw/zinc/46/18/65/379461865.db2.gz	PAOOUBFTWJGMDB-VIFPVBQESA-N	-1	1	347.299	-0.167	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c(=O)n(C)c1=O	ZINC000274280677	379679084	/nfs/dbraw/zinc/67/90/84/379679084.db2.gz	BVTMWIBIAVQUBJ-ZDUSSCGKSA-N	-1	1	328.394	-0.309	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)N2CCOCC2)co1	ZINC000330682677	380832784	/nfs/dbraw/zinc/83/27/84/380832784.db2.gz	QIZNNXCSONLHJL-UHFFFAOYSA-N	-1	1	331.350	-0.649	20	30		EBEDMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)o1	ZINC000344180210	381019772	/nfs/dbraw/zinc/01/97/72/381019772.db2.gz	PKMDSMXCSJXIEZ-UHFFFAOYSA-N	-1	1	342.377	-0.274	20	30		EBEDMM
CC(C)C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000610425499	381132201	/nfs/dbraw/zinc/13/22/01/381132201.db2.gz	KQJKHDCTSINFEB-VIFPVBQESA-N	-1	1	342.377	-0.289	20	30		EBEDMM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nn[n-]n1	ZINC000610807878	381212283	/nfs/dbraw/zinc/21/22/83/381212283.db2.gz	MXKDNQVMCMTJIN-MRVPVSSYSA-N	-1	1	335.349	-0.945	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)C1=O	ZINC000791288222	583550533	/nfs/dbraw/zinc/55/05/33/583550533.db2.gz	YKZUQDKQOAKVSD-UHFFFAOYSA-N	-1	1	342.315	-0.743	20	30		EBEDMM
Cc1cc(=O)[n-]c(NN=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)n1	ZINC000807940485	583664374	/nfs/dbraw/zinc/66/43/74/583664374.db2.gz	LEHISJCAVWEXHV-UHFFFAOYSA-N	-1	1	333.352	-0.600	20	30		EBEDMM
C=CCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819751085	583760661	/nfs/dbraw/zinc/76/06/61/583760661.db2.gz	OVFQNUITJZILFG-LLVKDONJSA-N	-1	1	344.379	-0.104	20	30		EBEDMM
C=CCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819751085	583760662	/nfs/dbraw/zinc/76/06/62/583760662.db2.gz	OVFQNUITJZILFG-LLVKDONJSA-N	-1	1	344.379	-0.104	20	30		EBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C#N	ZINC000822589902	583813113	/nfs/dbraw/zinc/81/31/13/583813113.db2.gz	CGNBWBKQMVZCSL-UHFFFAOYSA-N	-1	1	325.313	-0.753	20	30		EBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C#N	ZINC000822589902	583813115	/nfs/dbraw/zinc/81/31/15/583813115.db2.gz	CGNBWBKQMVZCSL-UHFFFAOYSA-N	-1	1	325.313	-0.753	20	30		EBEDMM
N#C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1	ZINC000822806073	583818335	/nfs/dbraw/zinc/81/83/35/583818335.db2.gz	IQXMIGCUEAYJLL-VIFPVBQESA-N	-1	1	338.324	-0.081	20	30		EBEDMM
C#CCNC(=O)CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1	ZINC000823849974	583837860	/nfs/dbraw/zinc/83/78/60/583837860.db2.gz	FIVPHFGLBMRQDF-UHFFFAOYSA-N	-1	1	340.391	-0.871	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C#N)nn1	ZINC000825937350	583871366	/nfs/dbraw/zinc/87/13/66/583871366.db2.gz	AIBQBMHCKNFFIF-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@](C)(C#N)C2)n(C)c1=O	ZINC000826355526	583893536	/nfs/dbraw/zinc/89/35/36/583893536.db2.gz	DISHDGBJPLBEOG-AWEZNQCLSA-N	-1	1	330.352	-0.606	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc(C#N)c2)c1=O	ZINC000826356839	583893987	/nfs/dbraw/zinc/89/39/87/583893987.db2.gz	IAHRAKUFLPGSDR-UHFFFAOYSA-N	-1	1	339.315	-0.322	20	30		EBEDMM
C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NCC(=O)[O-]	ZINC000828499944	583941064	/nfs/dbraw/zinc/94/10/64/583941064.db2.gz	KBHJWRSQXYOXQJ-NSHDSACASA-N	-1	1	332.364	-0.550	20	30		EBEDMM
C#CC[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)OC	ZINC000841539707	584053821	/nfs/dbraw/zinc/05/38/21/584053821.db2.gz	FEJGCXKDVKTING-MNOVXSKESA-N	-1	1	332.378	-0.587	20	30		EBEDMM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000872669574	584464878	/nfs/dbraw/zinc/46/48/78/584464878.db2.gz	MVJIKDQUPPONPW-XYPYZODXSA-N	-1	1	325.390	-0.446	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)C#N	ZINC000944248995	652729789	/nfs/dbraw/zinc/72/97/89/652729789.db2.gz	JYRZORFYOYOZRI-DTWKUNHWSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000941929693	652954304	/nfs/dbraw/zinc/95/43/04/652954304.db2.gz	OTUCVASLFHKVNM-ZYHUDNBSSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)C1	ZINC000951866950	654323833	/nfs/dbraw/zinc/32/38/33/654323833.db2.gz	AFBJOXGGDSYHCB-BDAKNGLRSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC000954827885	719923535	/nfs/dbraw/zinc/92/35/35/719923535.db2.gz	IKFHQDJYTARPLU-ZETCQYMHSA-N	-1	1	335.320	-0.661	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ncccc3[O-])C2)CC1	ZINC000967242788	724850928	/nfs/dbraw/zinc/85/09/28/724850928.db2.gz	CKSYAFGLSRPZCC-LBPRGKRZSA-N	-1	1	343.387	-0.085	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC000970767570	725326302	/nfs/dbraw/zinc/32/63/02/725326302.db2.gz	RXSYECDEWHWRMY-NSHDSACASA-N	-1	1	340.387	-0.265	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000971371188	725360856	/nfs/dbraw/zinc/36/08/56/725360856.db2.gz	DEZPHCWUPWROLS-LBPRGKRZSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
N#CCN1CC[C@]2(NC(=O)c3cc(=O)n4[n-]cnc4n3)CCC[C@@H]12	ZINC000992436571	725797259	/nfs/dbraw/zinc/79/72/59/725797259.db2.gz	WPNKIXLKVWKBQO-IAQYHMDHSA-N	-1	1	327.348	-0.332	20	30		EBEDMM
N#CCN1CC[C@@]2(NC(=O)c3cc(=O)n4[n-]cnc4n3)CCC[C@H]12	ZINC000992436592	725797271	/nfs/dbraw/zinc/79/72/71/725797271.db2.gz	WPNKIXLKVWKBQO-NHYWBVRUSA-N	-1	1	327.348	-0.332	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001051682626	735320947	/nfs/dbraw/zinc/32/09/47/735320947.db2.gz	SZXJZWIJDXPFEH-MFKMUULPSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001008792656	726804605	/nfs/dbraw/zinc/80/46/05/726804605.db2.gz	GKCWGMCQUKOUAW-LLVKDONJSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001021692576	729331375	/nfs/dbraw/zinc/33/13/75/729331375.db2.gz	VAXRGGAQCVUSGZ-ZIAGYGMSSA-N	-1	1	345.403	-0.237	20	30		EBEDMM
N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001021692571	729331491	/nfs/dbraw/zinc/33/14/91/729331491.db2.gz	VAXRGGAQCVUSGZ-KBPBESRZSA-N	-1	1	345.403	-0.237	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001028187430	730273221	/nfs/dbraw/zinc/27/32/21/730273221.db2.gz	JUXQVYKHFMRKLN-NSHDSACASA-N	-1	1	346.395	-0.720	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001028490626	730299521	/nfs/dbraw/zinc/29/95/21/730299521.db2.gz	NFBVWBSUVNJVDF-JTQLQIEISA-N	-1	1	329.364	-0.440	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031679744	730750239	/nfs/dbraw/zinc/75/02/39/730750239.db2.gz	HUXIZYYFIHIXFZ-OLZOCXBDSA-N	-1	1	335.408	-0.362	20	30		EBEDMM
C#Cc1ccc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001032135419	730818061	/nfs/dbraw/zinc/81/80/61/730818061.db2.gz	UFWOMALPKPAITD-UHFFFAOYSA-N	-1	1	326.360	-0.654	20	30		EBEDMM
N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001039453505	731435998	/nfs/dbraw/zinc/43/59/98/731435998.db2.gz	FOLDUZWPXMVFIU-OLZOCXBDSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)cn1	ZINC001040996010	731955646	/nfs/dbraw/zinc/95/56/46/731955646.db2.gz	RRQVXBFEVVRSQM-ZYHUDNBSSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001061523097	738582393	/nfs/dbraw/zinc/58/23/93/738582393.db2.gz	ISMQQJLJYAMNKS-CHWSQXEVSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#Cc1ccccc1CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044233902	733332294	/nfs/dbraw/zinc/33/22/94/733332294.db2.gz	MTSVQGXCFQCKQS-UHFFFAOYSA-N	-1	1	339.399	-0.025	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001046820655	734034841	/nfs/dbraw/zinc/03/48/41/734034841.db2.gz	RULRWJUYHXZQHZ-YPMHNXCESA-N	-1	1	347.371	-0.319	20	30		EBEDMM
C=C(Cl)CN1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1	ZINC001049190399	734679102	/nfs/dbraw/zinc/67/91/02/734679102.db2.gz	PMKSSYBZAYEGQV-AOOOYVTPSA-N	-1	1	327.772	-0.168	20	30		EBEDMM
N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001049845397	734798341	/nfs/dbraw/zinc/79/83/41/734798341.db2.gz	ABQQOMOVQMBDDV-RYUDHWBXSA-N	-1	1	327.348	-0.380	20	30		EBEDMM
N#CCN1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001054215156	736178486	/nfs/dbraw/zinc/17/84/86/736178486.db2.gz	ODIOZTZLSAMMCN-QGZVFWFLSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1	ZINC001063712056	739184708	/nfs/dbraw/zinc/18/47/08/739184708.db2.gz	WSCWNKJICLZGRQ-MRVPVSSYSA-N	-1	1	349.347	-0.175	20	30		EBEDMM
C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065150884	739559774	/nfs/dbraw/zinc/55/97/74/739559774.db2.gz	VMBWDXIMVUWRKV-ZDUSSCGKSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001067665479	740178008	/nfs/dbraw/zinc/17/80/08/740178008.db2.gz	OQAKJKWPFVZATR-MFKMUULPSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C=CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071186862	741081235	/nfs/dbraw/zinc/08/12/35/741081235.db2.gz	XNRAGINRUKXSOS-ZUZCIYMTSA-N	-1	1	335.364	-0.226	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nc1=O	ZINC001075699461	742275049	/nfs/dbraw/zinc/27/50/49/742275049.db2.gz	ZCFUFFJOQVHJCP-GXFFZTMASA-N	-1	1	341.375	-0.345	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1	ZINC001076424123	742463062	/nfs/dbraw/zinc/46/30/62/742463062.db2.gz	HCEWSSNERVUGFA-VIFPVBQESA-N	-1	1	348.359	-0.066	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001077402142	742955981	/nfs/dbraw/zinc/95/59/81/742955981.db2.gz	DKOORQOFEBEITG-QWRGUYRKSA-N	-1	1	335.364	-0.903	20	30		EBEDMM
N#Cc1cc(C(=O)N2CCCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001078383600	743616669	/nfs/dbraw/zinc/61/66/69/743616669.db2.gz	ALLSWAIXVRDNFY-LBPRGKRZSA-N	-1	1	345.363	-0.269	20	30		EBEDMM
N#CCN1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]2C1	ZINC000980210910	805799190	/nfs/dbraw/zinc/79/91/90/805799190.db2.gz	ZWUHHMKTDBVWFZ-SRVKXCTJSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000979279234	805257410	/nfs/dbraw/zinc/25/74/10/805257410.db2.gz	USDIYOUAFKUAHV-JOYOIKCWSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)nn1	ZINC000987137761	807852401	/nfs/dbraw/zinc/85/24/01/807852401.db2.gz	ZMBICFAEANIWPT-ZJUUUORDSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CSCC#N)[C@@H]3C2)nc1=O	ZINC001221288914	811434343	/nfs/dbraw/zinc/43/43/43/811434343.db2.gz	AHLXLLGYUXQLKT-GHMZBOCLSA-N	-1	1	336.421	-0.602	20	30		EBEDMM
C#CCNC(=O)CN1CCC(CNC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001222821440	811663433	/nfs/dbraw/zinc/66/34/33/811663433.db2.gz	WDRXPAQXLJLQAR-UHFFFAOYSA-N	-1	1	333.392	-0.385	20	30		EBEDMM
O=S(=O)([O-])C[C@@H](C[n+]1ccccc1)Oc1nccc(/C=N/[O-])n1	ZINC001226258254	811855755	/nfs/dbraw/zinc/85/57/55/811855755.db2.gz	SHGFWOLBBMHTFJ-AZZDOICSSA-O	-1	1	339.353	-0.092	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)cn1	ZINC001080810295	812249000	/nfs/dbraw/zinc/24/90/00/812249000.db2.gz	DNEYAIZYERMAMO-BXUZGUMPSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081463132	812995206	/nfs/dbraw/zinc/99/52/06/812995206.db2.gz	JUGDJOYVRMUKGR-JSGCOSHPSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081488419	813048047	/nfs/dbraw/zinc/04/80/47/813048047.db2.gz	IBIOQUURCNFDFO-TZMCWYRMSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCCN(CC#N)C1	ZINC001265707976	813361497	/nfs/dbraw/zinc/36/14/97/813361497.db2.gz	HZDZIJDSAYUAFM-CHWSQXEVSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(CC)Cc2nc(=O)n(C)[n-]2)cn1	ZINC001267255355	813805226	/nfs/dbraw/zinc/80/52/26/813805226.db2.gz	DYGGXNSPAVGYHR-UHFFFAOYSA-N	-1	1	328.376	-0.263	20	30		EBEDMM
COCC#CCN1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001267745610	814021383	/nfs/dbraw/zinc/02/13/83/814021383.db2.gz	YBMNRAMLTXBEMI-GFCCVEGCSA-N	-1	1	337.380	-0.690	20	30		EBEDMM
C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088513351	816692886	/nfs/dbraw/zinc/69/28/86/816692886.db2.gz	OEJGWHTUKVENGH-KOLCDFICSA-N	-1	1	329.364	-0.299	20	30		EBEDMM
C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001278809859	817843125	/nfs/dbraw/zinc/84/31/25/817843125.db2.gz	HUCVTWPEJCRFLP-MRXNPFEDSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
N#Cc1cnccc1NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001094501736	818278402	/nfs/dbraw/zinc/27/84/02/818278402.db2.gz	AKBPCIJFDVWMPH-UHFFFAOYSA-N	-1	1	338.331	-0.662	20	30		EBEDMM
N#Cc1cccnc1NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001094502589	818278977	/nfs/dbraw/zinc/27/89/77/818278977.db2.gz	RXQHSDFOCFXVKG-UHFFFAOYSA-N	-1	1	338.331	-0.084	20	30		EBEDMM
C=CCN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001094625956	818304391	/nfs/dbraw/zinc/30/43/91/818304391.db2.gz	JDVXJRRVGISVTE-NWDGAFQWSA-N	-1	1	337.401	-0.103	20	30		EBEDMM
CN(CCOCCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001283362357	818777188	/nfs/dbraw/zinc/77/71/88/818777188.db2.gz	AUIISNRNRULDSL-UHFFFAOYSA-N	-1	1	347.379	-0.813	20	30		EBEDMM
C=CCCC(=O)N1CC[C@@H](N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283372276	818781347	/nfs/dbraw/zinc/78/13/47/818781347.db2.gz	VOEMRZXHQOWQPS-CYBMUJFWSA-N	-1	1	348.403	-0.048	20	30		EBEDMM
C#CCCCC(=O)NCC1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001284965985	819431811	/nfs/dbraw/zinc/43/18/11/819431811.db2.gz	RBLZWLLPCVKFMZ-UHFFFAOYSA-N	-1	1	348.359	-0.112	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001099786194	819697030	/nfs/dbraw/zinc/69/70/30/819697030.db2.gz	MSSXZFCZVHYRSH-AAEUAGOBSA-N	-1	1	334.376	-0.746	20	30		EBEDMM
C#CCCCC(=O)NCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001285921908	819825158	/nfs/dbraw/zinc/82/51/58/819825158.db2.gz	PMVMECRLDSUXAR-UHFFFAOYSA-N	-1	1	342.359	-0.400	20	30		EBEDMM
CN(CCNc1ncccc1C#N)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686622	820878234	/nfs/dbraw/zinc/87/82/34/820878234.db2.gz	BTDFELBGHDORHV-UHFFFAOYSA-N	-1	1	342.359	-0.236	20	30		EBEDMM
C#CCCCC(=O)NCC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001295846871	821177922	/nfs/dbraw/zinc/17/79/22/821177922.db2.gz	XEPXMCDEMVRBEE-LLVKDONJSA-N	-1	1	344.375	-0.154	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCc1cnn2c1CN(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001128264621	828435578	/nfs/dbraw/zinc/43/55/78/828435578.db2.gz	OSKYIKQXKYEBJV-JTQLQIEISA-N	-1	1	344.379	-0.903	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)cn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107844315	823996781	/nfs/dbraw/zinc/99/67/81/823996781.db2.gz	XVYWELDURHXOEK-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1	ZINC001107890527	824021531	/nfs/dbraw/zinc/02/15/31/824021531.db2.gz	OUHKDJKIXVOBKX-QGZVFWFLSA-N	-1	1	348.403	-0.090	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001111065809	824893667	/nfs/dbraw/zinc/89/36/67/824893667.db2.gz	IOKDZAGNSYCGIU-MRXNPFEDSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111743100	825308307	/nfs/dbraw/zinc/30/83/07/825308307.db2.gz	ZAUKCXLROIYIBP-IGCXYCKISA-N	-1	1	347.419	-0.383	20	30		EBEDMM
CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N([O-])C(=N)c1nonc1N	ZINC001182946449	833269528	/nfs/dbraw/zinc/26/95/28/833269528.db2.gz	QJSJSCFRHJLHIN-LURJTMIESA-N	-1	1	344.328	-0.577	20	30		EBEDMM
C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131826289	829233826	/nfs/dbraw/zinc/23/38/26/829233826.db2.gz	OQUKJJKDZPUOLW-GHMZBOCLSA-N	-1	1	338.437	-0.166	20	30		EBEDMM
Cn1nnc2c(C(=O)N([O-])C(=N)c3ccccc3N)ncn2c1=O	ZINC001152753759	831187081	/nfs/dbraw/zinc/18/70/81/831187081.db2.gz	FKALHAKOKYBMFH-UHFFFAOYSA-N	-1	1	328.292	-0.738	20	30		EBEDMM
N#CCN1CC=C(CCNC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001161698974	831983852	/nfs/dbraw/zinc/98/38/52/831983852.db2.gz	IDYLTUXXQVRYRG-UHFFFAOYSA-N	-1	1	327.348	-0.307	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001353191954	832415152	/nfs/dbraw/zinc/41/51/52/832415152.db2.gz	BVWZUHNDQFPASX-ZYHUDNBSSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
N#Cc1cnn(C([O-])=CN2C(=O)c3ccccc3S2(=O)=O)c1N	ZINC001168599957	832427681	/nfs/dbraw/zinc/42/76/81/832427681.db2.gz	ZQMXINLFWFKKCM-UHFFFAOYSA-N	-1	1	331.313	-0.178	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNC(=O)C#CC1CC1	ZINC001354377446	832481490	/nfs/dbraw/zinc/48/14/90/832481490.db2.gz	WDQMHMCYBZZAMA-QMMMGPOBSA-N	-1	1	334.332	-0.456	20	30		EBEDMM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cc1ccn[nH]1	ZINC001175766701	832644858	/nfs/dbraw/zinc/64/48/58/832644858.db2.gz	BIODPKQWJMYSTD-JTQLQIEISA-N	-1	1	338.326	-0.505	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1cnc(=O)n(C2CCOCC2)c1	ZINC001198886490	835737851	/nfs/dbraw/zinc/73/78/51/835737851.db2.gz	QAAHILXQEOOTEW-UHFFFAOYSA-N	-1	1	349.307	-0.583	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1ncccc1N1CCOCC1	ZINC001199276354	835786740	/nfs/dbraw/zinc/78/67/40/835786740.db2.gz	NMXAWFOBLTXZQH-UHFFFAOYSA-N	-1	1	333.308	-0.260	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCO[C@@H](CNCC#N)C1	ZINC001201849331	836203118	/nfs/dbraw/zinc/20/31/18/836203118.db2.gz	VPYGDKKAZOWYRD-VIFPVBQESA-N	-1	1	337.336	-0.759	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202787961	836347396	/nfs/dbraw/zinc/34/73/96/836347396.db2.gz	YJWGIHMPGDISOF-QWRGUYRKSA-N	-1	1	346.391	-0.833	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001206898038	836697296	/nfs/dbraw/zinc/69/72/96/836697296.db2.gz	ZVLJXLZUVRYHIQ-FRRDWIJNSA-N	-1	1	330.388	-0.025	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001213966066	837911256	/nfs/dbraw/zinc/91/12/56/837911256.db2.gz	IIPZEMFJJNFKEO-QJPTWQEYSA-N	-1	1	339.396	-0.985	20	30		EBEDMM
C#CCN(C(=O)CCOCC)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001324374052	839639415	/nfs/dbraw/zinc/63/94/15/839639415.db2.gz	LSWJRCKZHJKKQQ-UHFFFAOYSA-N	-1	1	349.435	-0.039	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001334608302	842096349	/nfs/dbraw/zinc/09/63/49/842096349.db2.gz	ZOKFYSDSBYMPBJ-LBPRGKRZSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337313449	842600944	/nfs/dbraw/zinc/60/09/44/842600944.db2.gz	RCGVOTLCSLFLHN-ZDUSSCGKSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
C=CCC1(C(=O)NCCNC(=O)CCn2cc[n-]c(=O)c2=O)CCC1	ZINC001349339337	843887834	/nfs/dbraw/zinc/88/78/34/843887834.db2.gz	LHRAVTPAWUQINH-UHFFFAOYSA-N	-1	1	348.403	-0.095	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573288155	946858343	/nfs/dbraw/zinc/85/83/43/946858343.db2.gz	SCTKRAWJYYVLJJ-NXEZZACHSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573560720	946955065	/nfs/dbraw/zinc/95/50/65/946955065.db2.gz	FOJNYUBWLAAPQT-NXEZZACHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573562097	946970481	/nfs/dbraw/zinc/97/04/81/946970481.db2.gz	QSQGHEUXJFPFFU-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573562097	946970491	/nfs/dbraw/zinc/97/04/91/946970491.db2.gz	QSQGHEUXJFPFFU-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573562976	946981584	/nfs/dbraw/zinc/98/15/84/946981584.db2.gz	YISJBJWEFVBDJY-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573562976	946981594	/nfs/dbraw/zinc/98/15/94/946981594.db2.gz	YISJBJWEFVBDJY-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564104	946988603	/nfs/dbraw/zinc/98/86/03/946988603.db2.gz	FRWGZTBWTDDTFO-WDEREUQCSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564831	946998581	/nfs/dbraw/zinc/99/85/81/946998581.db2.gz	LTBXZHYSTIUVIK-MEBBXXQBSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564832	947000259	/nfs/dbraw/zinc/00/02/59/947000259.db2.gz	LTBXZHYSTIUVIK-ZUZCIYMTSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1	ZINC001573570077	947083165	/nfs/dbraw/zinc/08/31/65/947083165.db2.gz	JSKKLBIKRQTBKZ-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1	ZINC001573570077	947083175	/nfs/dbraw/zinc/08/31/75/947083175.db2.gz	JSKKLBIKRQTBKZ-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573571079	947099926	/nfs/dbraw/zinc/09/99/26/947099926.db2.gz	YYAOMZJGMOLCCR-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573571079	947099941	/nfs/dbraw/zinc/09/99/41/947099941.db2.gz	YYAOMZJGMOLCCR-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573576827	947157685	/nfs/dbraw/zinc/15/76/85/947157685.db2.gz	JZXDNTHAJBAGTD-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573576827	947157689	/nfs/dbraw/zinc/15/76/89/947157689.db2.gz	JZXDNTHAJBAGTD-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573577031	947159238	/nfs/dbraw/zinc/15/92/38/947159238.db2.gz	LDXMRDSHFWIMEJ-VIFPVBQESA-N	-1	1	347.404	-0.249	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573582202	947186564	/nfs/dbraw/zinc/18/65/64/947186564.db2.gz	BZECEJKZAAXUNY-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573582202	947186569	/nfs/dbraw/zinc/18/65/69/947186569.db2.gz	BZECEJKZAAXUNY-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573582201	947187924	/nfs/dbraw/zinc/18/79/24/947187924.db2.gz	BZECEJKZAAXUNY-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573582201	947187931	/nfs/dbraw/zinc/18/79/31/947187931.db2.gz	BZECEJKZAAXUNY-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573309052	947191027	/nfs/dbraw/zinc/19/10/27/947191027.db2.gz	CDBFNCQCKIYQSR-ZUZCIYMTSA-N	-1	1	344.379	-0.003	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573309052	947191032	/nfs/dbraw/zinc/19/10/32/947191032.db2.gz	CDBFNCQCKIYQSR-ZUZCIYMTSA-N	-1	1	344.379	-0.003	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573584347	947218699	/nfs/dbraw/zinc/21/86/99/947218699.db2.gz	UWTYNOINQGZZPW-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573584347	947218706	/nfs/dbraw/zinc/21/87/06/947218706.db2.gz	UWTYNOINQGZZPW-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573351845	947621553	/nfs/dbraw/zinc/62/15/53/947621553.db2.gz	SIRPXPUQSCWQDN-MNOVXSKESA-N	-1	1	344.379	-0.412	20	30		EBEDMM
CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001573384490	947904854	/nfs/dbraw/zinc/90/48/54/947904854.db2.gz	PHUAXYRWVFOSIT-UHFFFAOYSA-N	-1	1	327.352	-0.025	20	30		EBEDMM
CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001573384490	947904858	/nfs/dbraw/zinc/90/48/58/947904858.db2.gz	PHUAXYRWVFOSIT-UHFFFAOYSA-N	-1	1	327.352	-0.025	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)c2ccc3c(n2)OCCO3)nc1-c1nn[nH]n1	ZINC001570934830	948956623	/nfs/dbraw/zinc/95/66/23/948956623.db2.gz	IMIZRVKPQZAVFZ-UHFFFAOYSA-N	-1	1	339.275	-0.120	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)COc2ccc(CO)cc2)nc1-c1nn[nH]n1	ZINC001570937873	949088271	/nfs/dbraw/zinc/08/82/71/949088271.db2.gz	LBTCVKBTXIRDBU-UHFFFAOYSA-N	-1	1	340.303	-0.029	20	30		EBEDMM
CN(C)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001570939678	949152277	/nfs/dbraw/zinc/15/22/77/949152277.db2.gz	FUBZIPLRFYXKBA-SECBINFHSA-N	-1	1	342.367	-0.280	20	30		EBEDMM
CN(C)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001570939678	949152291	/nfs/dbraw/zinc/15/22/91/949152291.db2.gz	FUBZIPLRFYXKBA-SECBINFHSA-N	-1	1	342.367	-0.280	20	30		EBEDMM
CC1CC(C#N)(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001570945891	949508886	/nfs/dbraw/zinc/50/88/86/949508886.db2.gz	KJOZUESKZUCNFU-UHFFFAOYSA-N	-1	1	344.335	-0.815	20	30		EBEDMM
C#CCNC(=O)CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001573311590	962707394	/nfs/dbraw/zinc/70/73/94/962707394.db2.gz	UNAJGPJBOAAUHY-QWHCGFSZSA-N	-1	1	333.388	-0.619	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CC1	ZINC001588477445	983516510	/nfs/dbraw/zinc/51/65/10/983516510.db2.gz	QUMKRAMRJYMLDJ-UGUYLWEFSA-N	-1	1	349.431	-0.141	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@@H](CCF)C(=O)[O-])c1ccn[nH]1	ZINC001596629265	984611346	/nfs/dbraw/zinc/61/13/46/984611346.db2.gz	QNHGTRYAZURLIL-VIFPVBQESA-N	-1	1	344.299	-0.378	20	30		EBEDMM
CN1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001598585902	993382818	/nfs/dbraw/zinc/38/28/18/993382818.db2.gz	KLDPCQJHSRTDPZ-CQSZACIVSA-N	-1	1	339.373	-0.399	20	30		EBEDMM
COC(=O)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC001598824176	996363442	/nfs/dbraw/zinc/36/34/42/996363442.db2.gz	YZWSDLRUPROSLJ-KGLIPLIRSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001480921867	1125869929	/nfs/dbraw/zinc/86/99/29/1125869929.db2.gz	XTCWSABHNXDRIK-LBPRGKRZSA-N	-1	1	338.412	-0.873	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001489580529	1129016750	/nfs/dbraw/zinc/01/67/50/1129016750.db2.gz	UCIAQMALQLKPGE-YPMHNXCESA-N	-1	1	333.344	-0.871	20	30		EBEDMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)C#CC(C)(C)C)nc1=O	ZINC001280406397	1130566530	/nfs/dbraw/zinc/56/65/30/1130566530.db2.gz	OSHOEDZAKFOGSC-GFCCVEGCSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286566430	376198757	/nfs/dbraw/zinc/19/87/57/376198757.db2.gz	ISKQWRCGVLCEHI-VIFPVBQESA-N	-1	1	333.391	-0.146	20	30		EBEDMM
COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000599476801	378250648	/nfs/dbraw/zinc/25/06/48/378250648.db2.gz	LXNDTSBLIUPDPW-UHFFFAOYSA-N	-1	1	329.334	-0.501	20	30		EBEDMM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC	ZINC000336900855	378577973	/nfs/dbraw/zinc/57/79/73/378577973.db2.gz	BNSKTJWQKWXHAB-NXEZZACHSA-N	-1	1	335.382	-0.593	20	30		EBEDMM
C=CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)OC	ZINC000360722086	380264473	/nfs/dbraw/zinc/26/44/73/380264473.db2.gz	MXUAUGTULSNWNO-SECBINFHSA-N	-1	1	346.361	-0.338	20	30		EBEDMM
CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC000582670519	381057844	/nfs/dbraw/zinc/05/78/44/381057844.db2.gz	AXQDSVYSXLCZBA-UHFFFAOYSA-N	-1	1	338.389	-0.078	20	30		EBEDMM
C=CCOCC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C	ZINC000345440432	381042649	/nfs/dbraw/zinc/04/26/49/381042649.db2.gz	CMAYYSOWRDNWNI-UHFFFAOYSA-N	-1	1	335.407	-0.246	20	30		EBEDMM
CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344546182	156239281	/nfs/dbraw/zinc/23/92/81/156239281.db2.gz	KTRLOMRDKXXLQQ-JTQLQIEISA-N	-1	1	340.361	-0.833	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[O-]	ZINC000442644055	265326163	/nfs/dbraw/zinc/32/61/63/265326163.db2.gz	DNTMRGLTSLWSOW-UHFFFAOYSA-N	-1	1	338.389	-0.690	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCn1cnc2ccccc2c1=O	ZINC000737704152	583024610	/nfs/dbraw/zinc/02/46/10/583024610.db2.gz	DHGFPBVQCSBBNR-UHFFFAOYSA-N	-1	1	348.330	-0.073	20	30		EBEDMM
CNC(=O)CNC(=S)NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000773055528	583368928	/nfs/dbraw/zinc/36/89/28/583368928.db2.gz	YOQQROUMNJAFHS-UHFFFAOYSA-N	-1	1	341.349	-0.147	20	30		EBEDMM
C#CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819701403	583759667	/nfs/dbraw/zinc/75/96/67/583759667.db2.gz	FUHJZCUVKVASRI-JTQLQIEISA-N	-1	1	327.352	-0.490	20	30		EBEDMM
C#CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819701403	583759669	/nfs/dbraw/zinc/75/96/69/583759669.db2.gz	FUHJZCUVKVASRI-JTQLQIEISA-N	-1	1	327.352	-0.490	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2ccc(C#N)cc2)c1=O	ZINC000822605099	583813781	/nfs/dbraw/zinc/81/37/81/583813781.db2.gz	YMZGLJBVTDDWMZ-GFCCVEGCSA-N	-1	1	339.315	-0.668	20	30		EBEDMM
C=CCNC(=O)CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1	ZINC000823919601	583838848	/nfs/dbraw/zinc/83/88/48/583838848.db2.gz	LIJJTTSEMJTBIM-UHFFFAOYSA-N	-1	1	342.407	-0.319	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC1	ZINC000824185030	583842216	/nfs/dbraw/zinc/84/22/16/583842216.db2.gz	PUAFYOLWZLGBLX-LBPRGKRZSA-N	-1	1	343.395	-0.244	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC1	ZINC000824185030	583842218	/nfs/dbraw/zinc/84/22/18/583842218.db2.gz	PUAFYOLWZLGBLX-LBPRGKRZSA-N	-1	1	343.395	-0.244	20	30		EBEDMM
COC(=O)C1=C(C)O[C@H](Cn2c(N)nc(-c3nn[n-]n3)c2C#N)C1	ZINC000826128229	583881329	/nfs/dbraw/zinc/88/13/29/583881329.db2.gz	AIASKFMCTKVETE-ZETCQYMHSA-N	-1	1	330.308	-0.247	20	30		EBEDMM
CN(CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1ncnc2[nH]cnc21	ZINC000828096060	583933458	/nfs/dbraw/zinc/93/34/58/583933458.db2.gz	UTKNAOMEHRXCNN-SECBINFHSA-N	-1	1	344.335	-0.497	20	30		EBEDMM
C#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1	ZINC000848284965	584155058	/nfs/dbraw/zinc/15/50/58/584155058.db2.gz	PPUBMZGJTPMGNH-SNVBAGLBSA-N	-1	1	339.373	-0.471	20	30		EBEDMM
C#CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000855493706	584260199	/nfs/dbraw/zinc/26/01/99/584260199.db2.gz	IDLYKHHQCUBGBP-UHFFFAOYSA-N	-1	1	335.360	-0.270	20	30		EBEDMM
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286749888	584697487	/nfs/dbraw/zinc/69/74/87/584697487.db2.gz	UTPQRFDSXCKVSE-UHFFFAOYSA-N	-1	1	326.378	-0.406	20	30		EBEDMM
N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000737695515	598429413	/nfs/dbraw/zinc/42/94/13/598429413.db2.gz	KVZHRKGQJJZBBR-UHFFFAOYSA-N	-1	1	348.392	-0.472	20	30		EBEDMM
N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000737695515	598429414	/nfs/dbraw/zinc/42/94/14/598429414.db2.gz	KVZHRKGQJJZBBR-UHFFFAOYSA-N	-1	1	348.392	-0.472	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000941965512	653008805	/nfs/dbraw/zinc/00/88/05/653008805.db2.gz	YNHOBPOMEURLJQ-GXFFZTMASA-N	-1	1	343.391	-0.051	20	30		EBEDMM
CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949918642	654000531	/nfs/dbraw/zinc/00/05/31/654000531.db2.gz	ADQZKPOJDSOFJQ-UHFFFAOYSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000951867660	654323807	/nfs/dbraw/zinc/32/38/07/654323807.db2.gz	JLPINFDPYZFCMX-VHSXEESVSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000965850758	724532251	/nfs/dbraw/zinc/53/22/51/724532251.db2.gz	FWKDXIHHLSPGST-ZWNOBZJWSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C(=O)C#CC2CC2)C1	ZINC000954830821	719925610	/nfs/dbraw/zinc/92/56/10/719925610.db2.gz	JTDCZLLEIWQNOB-UHFFFAOYSA-N	-1	1	340.343	-0.886	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC000958368962	722353589	/nfs/dbraw/zinc/35/35/89/722353589.db2.gz	FJPNWMSEIVBFID-ZIAGYGMSSA-N	-1	1	349.435	-0.236	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC000958500602	722380454	/nfs/dbraw/zinc/38/04/54/722380454.db2.gz	RHWIKKXDSSNYFF-IWIIMEHWSA-N	-1	1	327.348	-0.832	20	30		EBEDMM
C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000968432616	725063455	/nfs/dbraw/zinc/06/34/55/725063455.db2.gz	ZBNTXQKMGGXHOS-GXTWGEPZSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1	ZINC000968704845	725106339	/nfs/dbraw/zinc/10/63/39/725106339.db2.gz	ZSQVNDQUPMNTCV-GHYVTOPFSA-N	-1	1	349.391	-0.523	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC000972754400	725590150	/nfs/dbraw/zinc/59/01/50/725590150.db2.gz	YKLVTHTVLJJNEU-ZDUSSCGKSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#CCN[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@H]1C(F)(F)F	ZINC000998284264	726483436	/nfs/dbraw/zinc/48/34/36/726483436.db2.gz	XUPSUVISTZPDAU-SFYZADRCSA-N	-1	1	345.281	-0.101	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC001017450119	728577504	/nfs/dbraw/zinc/57/75/04/728577504.db2.gz	CUQSDAXROUWQMI-TXEJJXNPSA-N	-1	1	341.375	-0.203	20	30		EBEDMM
N#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001021717300	729334772	/nfs/dbraw/zinc/33/47/72/729334772.db2.gz	ORTLPCUFWNUCKX-YPMHNXCESA-N	-1	1	341.375	-0.132	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001028469636	730297884	/nfs/dbraw/zinc/29/78/84/730297884.db2.gz	BZNTXNMODWWXBS-SNVBAGLBSA-N	-1	1	329.364	-0.440	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001028851542	730362962	/nfs/dbraw/zinc/36/29/62/730362962.db2.gz	QDYSLFIGTNYGHP-NSHDSACASA-N	-1	1	346.395	-0.862	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032638305	730904312	/nfs/dbraw/zinc/90/43/12/730904312.db2.gz	PYNIVLCITWSJLS-RVMXOQNASA-N	-1	1	333.392	-0.515	20	30		EBEDMM
N#Cc1cnc(N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)cn1	ZINC001043918692	733199050	/nfs/dbraw/zinc/19/90/50/733199050.db2.gz	RRQVXBFEVVRSQM-PWSUYJOCSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001049845395	734797956	/nfs/dbraw/zinc/79/79/56/734797956.db2.gz	ABQQOMOVQMBDDV-NEPJUHHUSA-N	-1	1	327.348	-0.380	20	30		EBEDMM
N#CCN1CCC2(CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)CC1	ZINC001050730949	734951163	/nfs/dbraw/zinc/95/11/63/734951163.db2.gz	PYAUAXAHEBAPGG-UHFFFAOYSA-N	-1	1	327.348	-0.521	20	30		EBEDMM
C=CCCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051210553	735100030	/nfs/dbraw/zinc/10/00/30/735100030.db2.gz	XPSAXFVTXGFKKW-NSHDSACASA-N	-1	1	332.364	-0.576	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051523350	735221424	/nfs/dbraw/zinc/22/14/24/735221424.db2.gz	CAEPJPPGYORAIC-JTQLQIEISA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C#CCCN1CC2(C1)C[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981652	736132308	/nfs/dbraw/zinc/13/23/08/736132308.db2.gz	RESPOWQSNBTTAG-NSHDSACASA-N	-1	1	342.359	-0.986	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2ncccc2[O-])c1	ZINC001057410077	737230066	/nfs/dbraw/zinc/23/00/66/737230066.db2.gz	BRLCIEBEQOFMRR-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1=O	ZINC001072593000	741435710	/nfs/dbraw/zinc/43/57/10/741435710.db2.gz	WQTXALPUSSJHAH-UHFFFAOYSA-N	-1	1	341.375	-0.344	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077488547	743014611	/nfs/dbraw/zinc/01/46/11/743014611.db2.gz	VXCRDTGPKBUODM-NSHDSACASA-N	-1	1	344.375	-0.154	20	30		EBEDMM
C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001077854665	743296319	/nfs/dbraw/zinc/29/63/19/743296319.db2.gz	WELLOQQIPONKCJ-CHWSQXEVSA-N	-1	1	346.391	-0.801	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000981993030	806365249	/nfs/dbraw/zinc/36/52/49/806365249.db2.gz	VUFOMYDKUFNTEK-OLZOCXBDSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000983214740	806953517	/nfs/dbraw/zinc/95/35/17/806953517.db2.gz	JPVMAOCNWWWSPC-IUCAKERBSA-N	-1	1	349.347	-0.366	20	30		EBEDMM
C#CCCCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001220145229	811000642	/nfs/dbraw/zinc/00/06/42/811000642.db2.gz	XKDWWQQGPXOEOM-OLZOCXBDSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C=CCCC(=O)N(CC)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001079469363	811552352	/nfs/dbraw/zinc/55/23/52/811552352.db2.gz	HSAJONDMFPSPQF-UHFFFAOYSA-N	-1	1	348.403	-0.048	20	30		EBEDMM
C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081488417	813048433	/nfs/dbraw/zinc/04/84/33/813048433.db2.gz	IBIOQUURCNFDFO-JSGCOSHPSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cc1	ZINC001083691010	814694475	/nfs/dbraw/zinc/69/44/75/814694475.db2.gz	UWPNUOTUBWCBPG-KGLIPLIRSA-N	-1	1	341.371	-0.935	20	30		EBEDMM
C=CCCC(=O)NC[C@@H]1CCC2(CN(Cc3nc(=O)n(C)[n-]3)C2)O1	ZINC001273647848	816716439	/nfs/dbraw/zinc/71/64/39/816716439.db2.gz	VNTHOCWABFHEQB-LBPRGKRZSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)cn1	ZINC001275976673	817327478	/nfs/dbraw/zinc/32/74/78/817327478.db2.gz	HFSLRHRKYYTZEP-NSHDSACASA-N	-1	1	328.376	-0.265	20	30		EBEDMM
C=C1CCC(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001090548338	817530011	/nfs/dbraw/zinc/53/00/11/817530011.db2.gz	XGRQTMISFHORCW-KBPBESRZSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C#CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CCN(CC#N)CC1	ZINC001278194697	817723067	/nfs/dbraw/zinc/72/30/67/817723067.db2.gz	SBMKGXFWVFWWFJ-UHFFFAOYSA-N	-1	1	345.359	-0.040	20	30		EBEDMM
N#CCN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001094626049	818304817	/nfs/dbraw/zinc/30/48/17/818304817.db2.gz	NUYSGJKESCNCPY-WDEREUQCSA-N	-1	1	336.373	-0.766	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)nc1=O	ZINC001096928597	818908089	/nfs/dbraw/zinc/90/80/89/818908089.db2.gz	HKQUZYANYYFXKA-WZRBSPASSA-N	-1	1	341.375	-0.157	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001284021230	819068305	/nfs/dbraw/zinc/06/83/05/819068305.db2.gz	PFSXWEGUWGIJMA-LBPRGKRZSA-N	-1	1	334.376	-0.390	20	30		EBEDMM
CC(C)C#CC(=O)N1CC(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001284980404	819442602	/nfs/dbraw/zinc/44/26/02/819442602.db2.gz	RINSRJDYWZNKEA-UHFFFAOYSA-N	-1	1	346.387	-0.839	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099848363	819777082	/nfs/dbraw/zinc/77/70/82/819777082.db2.gz	UWZCCRZNVXGPMI-UONOGXRCSA-N	-1	1	349.435	-0.072	20	30		EBEDMM
C#CCCNCc1cn(C2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1	ZINC001105213876	821622556	/nfs/dbraw/zinc/62/25/56/821622556.db2.gz	RXYWONZESXFTHS-UHFFFAOYSA-N	-1	1	329.364	-0.175	20	30		EBEDMM
Cc1cc(NC[C@H](O)CNC(=O)c2ncccc2[O-])c(C#N)cn1	ZINC001105802223	821873994	/nfs/dbraw/zinc/87/39/94/821873994.db2.gz	IURMSRXYKABHFT-LBPRGKRZSA-N	-1	1	327.344	-0.013	20	30		EBEDMM
C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001316877363	821903104	/nfs/dbraw/zinc/90/31/04/821903104.db2.gz	FGBKTEQQWCMRBH-CHWSQXEVSA-N	-1	1	333.392	-0.191	20	30		EBEDMM
C=CCCn1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001317464038	822119354	/nfs/dbraw/zinc/11/93/54/822119354.db2.gz	NLWJSNCGAJLLKC-UHFFFAOYSA-N	-1	1	334.384	-0.862	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109213545	824505832	/nfs/dbraw/zinc/50/58/32/824505832.db2.gz	SHBFWLAOSPKYRF-KZTGVZKYSA-N	-1	1	335.408	-0.343	20	30		EBEDMM
C#CCN1CCC[C@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001119582466	827122755	/nfs/dbraw/zinc/12/27/55/827122755.db2.gz	YAVWMNQXWDWNDC-WMLDXEAASA-N	-1	1	335.404	-0.528	20	30		EBEDMM
CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncccc1[O-]	ZINC001124330074	827816682	/nfs/dbraw/zinc/81/66/82/827816682.db2.gz	ZYGAKALKGGGHMO-NSHDSACASA-N	-1	1	328.332	-0.006	20	30		EBEDMM
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1nonc1N	ZINC001145092200	830174390	/nfs/dbraw/zinc/17/43/90/830174390.db2.gz	VOORAWZJWSHLKD-RITPCOANSA-N	-1	1	344.328	-0.531	20	30		EBEDMM
N#CCNC(=O)CN1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC001147387465	830334572	/nfs/dbraw/zinc/33/45/72/830334572.db2.gz	ZKYGVXPKMHJZND-UHFFFAOYSA-N	-1	1	329.360	-0.425	20	30		EBEDMM
N#Cc1ccc2[n-]c(C(=O)N3CCO[C@H](C(N)=O)C3)cc(=O)c2c1	ZINC001154556703	831347044	/nfs/dbraw/zinc/34/70/44/831347044.db2.gz	QJFSWLBFWXGNDJ-AWEZNQCLSA-N	-1	1	326.312	-0.274	20	30		EBEDMM
N#CCN1CC=C(CCNC(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001161477291	831962150	/nfs/dbraw/zinc/96/21/50/831962150.db2.gz	DLHUIIAPWIJNCV-UHFFFAOYSA-N	-1	1	331.376	-0.411	20	30		EBEDMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C#CC(C)(C)C	ZINC001212254480	837587894	/nfs/dbraw/zinc/58/78/94/837587894.db2.gz	XXJVDHABMYFHBB-VXGBXAGGSA-N	-1	1	335.408	-0.527	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001189672798	834177151	/nfs/dbraw/zinc/17/71/51/834177151.db2.gz	FUVAGCFHGRPRBT-VXGBXAGGSA-N	-1	1	333.392	-0.292	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1	ZINC001195897151	835309212	/nfs/dbraw/zinc/30/92/12/835309212.db2.gz	QVYTXNKWZLKCJU-VXGBXAGGSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
C=CCCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001195906376	835310199	/nfs/dbraw/zinc/31/01/99/835310199.db2.gz	YGPRNYMUVSGEHE-VXGBXAGGSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1ccc(N2CCOCC2=O)cc1	ZINC001196250193	835378858	/nfs/dbraw/zinc/37/88/58/835378858.db2.gz	RSMLDTSVRVZQOQ-UHFFFAOYSA-N	-1	1	346.303	-0.128	20	30		EBEDMM
C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001196992707	835493048	/nfs/dbraw/zinc/49/30/48/835493048.db2.gz	MCIXPJZERXXAAK-CHWSQXEVSA-N	-1	1	346.391	-0.801	20	30		EBEDMM
C=CCOCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1	ZINC001323843841	839541609	/nfs/dbraw/zinc/54/16/09/839541609.db2.gz	GYRMVSKEZPSPIK-MRXNPFEDSA-N	-1	1	335.408	-0.265	20	30		EBEDMM
C#CCCN1CC[C@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001324655498	839696477	/nfs/dbraw/zinc/69/64/77/839696477.db2.gz	FJOJYNYFWCCHNL-INIZCTEOSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
C#C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCOCC1	ZINC001328283145	840642299	/nfs/dbraw/zinc/64/22/99/840642299.db2.gz	QNUMCDFAYOLWGK-CYBMUJFWSA-N	-1	1	341.371	-0.175	20	30		EBEDMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001329656423	840977366	/nfs/dbraw/zinc/97/73/66/840977366.db2.gz	PYZOHOZLCBONAM-UHFFFAOYSA-N	-1	1	335.408	-0.789	20	30		EBEDMM
C=CCOCC(=O)N[C@]12CCC[C@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001332082733	841567059	/nfs/dbraw/zinc/56/70/59/841567059.db2.gz	QBQYXOJNKQVFFE-WBMJQRKESA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001334608301	842095791	/nfs/dbraw/zinc/09/57/91/842095791.db2.gz	ZOKFYSDSBYMPBJ-GFCCVEGCSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337428795	842613910	/nfs/dbraw/zinc/61/39/10/842613910.db2.gz	FCVGDMLNEFNMAH-QWRGUYRKSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C#CCN1CCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CC1	ZINC001345686267	843416658	/nfs/dbraw/zinc/41/66/58/843416658.db2.gz	HODSFZLIKYKSML-UHFFFAOYSA-N	-1	1	327.396	-0.453	20	30		EBEDMM
C#CCCCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573282041	946683914	/nfs/dbraw/zinc/68/39/14/946683914.db2.gz	FCCCISAQZCYJFW-UHFFFAOYSA-N	-1	1	331.336	-0.561	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573287313	946832385	/nfs/dbraw/zinc/83/23/85/946832385.db2.gz	MYTFQYTXFUIFBG-GHMZBOCLSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573287313	946832402	/nfs/dbraw/zinc/83/24/02/946832402.db2.gz	MYTFQYTXFUIFBG-GHMZBOCLSA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573287247	946833583	/nfs/dbraw/zinc/83/35/83/946833583.db2.gz	MQRYYGXNCYJHCJ-VHSXEESVSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573287247	946833590	/nfs/dbraw/zinc/83/35/90/946833590.db2.gz	MQRYYGXNCYJHCJ-VHSXEESVSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1	ZINC001573560369	946952156	/nfs/dbraw/zinc/95/21/56/946952156.db2.gz	BJCWKZCGLQCCIW-NXEZZACHSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560809	946955267	/nfs/dbraw/zinc/95/52/67/946955267.db2.gz	GIRVVCZGLJTPAW-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560809	946955276	/nfs/dbraw/zinc/95/52/76/946955276.db2.gz	GIRVVCZGLJTPAW-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573560979	946959228	/nfs/dbraw/zinc/95/92/28/946959228.db2.gz	IFSGKXLPKIMLMM-ZJUUUORDSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573560979	946959235	/nfs/dbraw/zinc/95/92/35/946959235.db2.gz	IFSGKXLPKIMLMM-ZJUUUORDSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561513	946964252	/nfs/dbraw/zinc/96/42/52/946964252.db2.gz	LQSOURGUWNUTHN-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561513	946964261	/nfs/dbraw/zinc/96/42/61/946964261.db2.gz	LQSOURGUWNUTHN-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1	ZINC001573563697	946984857	/nfs/dbraw/zinc/98/48/57/946984857.db2.gz	CGFCGGKXLLUCND-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573297778	947065932	/nfs/dbraw/zinc/06/59/32/947065932.db2.gz	LRUNNJCFEGEPTQ-SNVBAGLBSA-N	-1	1	344.379	-0.098	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573297778	947065945	/nfs/dbraw/zinc/06/59/45/947065945.db2.gz	LRUNNJCFEGEPTQ-SNVBAGLBSA-N	-1	1	344.379	-0.098	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1	ZINC001573570471	947089860	/nfs/dbraw/zinc/08/98/60/947089860.db2.gz	PVFHLOSHSNRYCE-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1	ZINC001573570471	947089868	/nfs/dbraw/zinc/08/98/68/947089868.db2.gz	PVFHLOSHSNRYCE-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573574338	947128412	/nfs/dbraw/zinc/12/84/12/947128412.db2.gz	RHHKGGFYVIGBFW-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573574338	947128419	/nfs/dbraw/zinc/12/84/19/947128419.db2.gz	RHHKGGFYVIGBFW-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573574653	947130973	/nfs/dbraw/zinc/13/09/73/947130973.db2.gz	SIHPVSZIYIYLCN-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573574653	947130979	/nfs/dbraw/zinc/13/09/79/947130979.db2.gz	SIHPVSZIYIYLCN-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573307116	947178776	/nfs/dbraw/zinc/17/87/76/947178776.db2.gz	PCERZPQCZXNPMV-BMIGLBTASA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573584070	947210416	/nfs/dbraw/zinc/21/04/16/947210416.db2.gz	QFAZTRQAUVJWNS-UWVGGRQHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573584070	947210424	/nfs/dbraw/zinc/21/04/24/947210424.db2.gz	QFAZTRQAUVJWNS-UWVGGRQHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)N(C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573587207	947304120	/nfs/dbraw/zinc/30/41/20/947304120.db2.gz	XXKQJAKTIZDLKR-QMMMGPOBSA-N	-1	1	344.335	-0.578	20	30		EBEDMM
C=CCCOCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573335757	947488374	/nfs/dbraw/zinc/48/83/74/947488374.db2.gz	DATDMOAXEYQMSQ-UHFFFAOYSA-N	-1	1	344.379	-0.102	20	30		EBEDMM
C=CCCOCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573335757	947488380	/nfs/dbraw/zinc/48/83/80/947488380.db2.gz	DATDMOAXEYQMSQ-UHFFFAOYSA-N	-1	1	344.379	-0.102	20	30		EBEDMM
C=CCOCC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1	ZINC001573342910	947550024	/nfs/dbraw/zinc/55/00/24/947550024.db2.gz	GWJXPFNIHPAJOX-UHFFFAOYSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCOCC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1	ZINC001573342910	947550032	/nfs/dbraw/zinc/55/00/32/947550032.db2.gz	GWJXPFNIHPAJOX-UHFFFAOYSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C[C@@]1(C#N)CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCO1	ZINC001575526228	949361408	/nfs/dbraw/zinc/36/14/08/949361408.db2.gz	WGKAYPJMPJDODB-GFCCVEGCSA-N	-1	1	335.349	-0.435	20	30		EBEDMM
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1	ZINC001576214422	950669589	/nfs/dbraw/zinc/66/95/89/950669589.db2.gz	AGUULUNIOBLRQN-PWSUYJOCSA-N	-1	1	338.375	-0.249	20	30		EBEDMM
CC(C)(CC#N)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573893546	950887771	/nfs/dbraw/zinc/88/77/71/950887771.db2.gz	KIARDUWLFKUOFZ-UHFFFAOYSA-N	-1	1	332.324	-0.815	20	30		EBEDMM
C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575018182	951015928	/nfs/dbraw/zinc/01/59/28/951015928.db2.gz	MEPZZHZJNCOZGG-QMMMGPOBSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
C=CCOC[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001588867219	984430927	/nfs/dbraw/zinc/43/09/27/984430927.db2.gz	WKHQZBAYWAKMJY-VIFPVBQESA-N	-1	1	326.396	-0.262	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001484159404	1126509963	/nfs/dbraw/zinc/50/99/63/1126509963.db2.gz	TUOIEFRHAKOMHN-GUYCJALGSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
N#CCNC1CCN(CCNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001484422580	1126573426	/nfs/dbraw/zinc/57/34/26/1126573426.db2.gz	HSKDDUIOKFBLPZ-UHFFFAOYSA-N	-1	1	343.391	-0.670	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001485403593	1126702060	/nfs/dbraw/zinc/70/20/60/1126702060.db2.gz	HTUATMIKFPOPFI-LBPRGKRZSA-N	-1	1	348.403	-0.356	20	30		EBEDMM
CC(C)[C@H](CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O)NCC#N	ZINC001485438782	1126717640	/nfs/dbraw/zinc/71/76/40/1126717640.db2.gz	AUSFXVWTXRHVNF-ZDUSSCGKSA-N	-1	1	335.408	-0.087	20	30		EBEDMM
C#CCN(CCO)[C@@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001489160790	1128922933	/nfs/dbraw/zinc/92/29/33/1128922933.db2.gz	AJOHNQKCYDDJJT-GFCCVEGCSA-N	-1	1	349.391	-0.866	20	30		EBEDMM
C=C[C@](C)(CC)C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356790394	1130941942	/nfs/dbraw/zinc/94/19/42/1130941942.db2.gz	VRHSLIPYIPHORY-QGZVFWFLSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
CC[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C#CC1CC1	ZINC001356903447	1130993010	/nfs/dbraw/zinc/99/30/10/1130993010.db2.gz	FPUBLABNNGUJDA-CYBMUJFWSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
C=CCOCC(=O)NC/C=C/CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001357665580	1131113409	/nfs/dbraw/zinc/11/34/09/1131113409.db2.gz	ZKQYNFYFLRUISJ-ONEGZZNKSA-N	-1	1	346.347	-0.978	20	30		EBEDMM
Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC001364045700	1132181116	/nfs/dbraw/zinc/18/11/16/1132181116.db2.gz	OLZVALZZMUNUGJ-JTQLQIEISA-N	-1	1	325.325	-0.162	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001368715176	1134403364	/nfs/dbraw/zinc/40/33/64/1134403364.db2.gz	HCJJHKBRPKDQCW-NWDGAFQWSA-N	-1	1	336.396	-0.947	20	30		EBEDMM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC	ZINC000336900860	378577717	/nfs/dbraw/zinc/57/77/17/378577717.db2.gz	BNSKTJWQKWXHAB-VHSXEESVSA-N	-1	1	335.382	-0.593	20	30		EBEDMM
C=CCN1CC[C@H](N(C)C(=O)CNC(=O)c2ncccc2[O-])C1=O	ZINC000337088519	378611689	/nfs/dbraw/zinc/61/16/89/378611689.db2.gz	HJEQKJRJPAZFIP-NSHDSACASA-N	-1	1	332.360	-0.238	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1	ZINC000491231674	379591562	/nfs/dbraw/zinc/59/15/62/379591562.db2.gz	VIPMIOXKDJZSGU-UHFFFAOYSA-N	-1	1	329.356	-0.532	20	30		EBEDMM
C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1	ZINC000491494227	379603884	/nfs/dbraw/zinc/60/38/84/379603884.db2.gz	BIWWHPPRPZMYNA-UHFFFAOYSA-N	-1	1	325.346	-0.719	20	30		EBEDMM
C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)C	ZINC000490963341	379574833	/nfs/dbraw/zinc/57/48/33/379574833.db2.gz	UUSMGRDIKZHACZ-SECBINFHSA-N	-1	1	327.362	-0.569	20	30		EBEDMM
C=CCOC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC	ZINC000360742730	380267234	/nfs/dbraw/zinc/26/72/34/380267234.db2.gz	AJUFORLLNGNAEY-JTQLQIEISA-N	-1	1	337.332	-0.623	20	30		EBEDMM
Cc1ncc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1C#N	ZINC000324574447	380627824	/nfs/dbraw/zinc/62/78/24/380627824.db2.gz	VXUDLPCADOIXIC-GFCCVEGCSA-N	-1	1	335.345	-0.041	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O	ZINC000346315854	381057953	/nfs/dbraw/zinc/05/79/53/381057953.db2.gz	ASTLAJQNPVNSFK-UHFFFAOYSA-N	-1	1	347.335	-0.938	20	30		EBEDMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C#N)c1	ZINC000610339544	381114684	/nfs/dbraw/zinc/11/46/84/381114684.db2.gz	ZKMSODVFVDNVDD-SNVBAGLBSA-N	-1	1	348.384	-0.005	20	30		EBEDMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C1=O	ZINC000296056828	155073191	/nfs/dbraw/zinc/07/31/91/155073191.db2.gz	OVAPGAGCPJFRPX-NSHDSACASA-N	-1	1	325.321	-0.126	20	30		EBEDMM
CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000344208972	156209512	/nfs/dbraw/zinc/20/95/12/156209512.db2.gz	ADHGTGLHDLXTKH-UHFFFAOYSA-N	-1	1	333.391	-0.146	20	30		EBEDMM
CS(=O)(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344722713	156258221	/nfs/dbraw/zinc/25/82/21/156258221.db2.gz	CTSQSMCYGCRRHZ-VIFPVBQESA-N	-1	1	333.391	-0.146	20	30		EBEDMM
COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1=O	ZINC000344732021	156259864	/nfs/dbraw/zinc/25/98/64/156259864.db2.gz	SBBULTNTBHRFPK-SNVBAGLBSA-N	-1	1	341.345	-0.406	20	30		EBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)ccc1C#N	ZINC000349577633	420559197	/nfs/dbraw/zinc/55/91/97/420559197.db2.gz	VBSCQFKJTDVKQA-UHFFFAOYSA-N	-1	1	346.434	0.285	20	30		EBEDMM
CCC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736301506	582929367	/nfs/dbraw/zinc/92/93/67/582929367.db2.gz	DATXNGVSQJTXCZ-ZETCQYMHSA-N	-1	1	347.364	-0.289	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N(C)C1CCOCC1)C(=O)OC	ZINC000795403184	583589243	/nfs/dbraw/zinc/58/92/43/583589243.db2.gz	VHGCBHNWNCXNAW-LBPRGKRZSA-N	-1	1	336.410	-0.324	20	30		EBEDMM
Cc1cc(=O)[n-]c(NN=Cc2nccn2S(=O)(=O)N(C)C)n1	ZINC000814681181	583706576	/nfs/dbraw/zinc/70/65/76/583706576.db2.gz	APNCKNKBCHVXGD-UHFFFAOYSA-N	-1	1	325.354	-0.212	20	30		EBEDMM
C#CCOc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000819709514	583759924	/nfs/dbraw/zinc/75/99/24/583759924.db2.gz	HSMFVDAHXOEZTK-UHFFFAOYSA-N	-1	1	338.331	-0.213	20	30		EBEDMM
COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1	ZINC000821653636	583798755	/nfs/dbraw/zinc/79/87/55/583798755.db2.gz	GNOGIIWIEIYUHW-SECBINFHSA-N	-1	1	348.344	-0.005	20	30		EBEDMM
COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1	ZINC000821653636	583798758	/nfs/dbraw/zinc/79/87/58/583798758.db2.gz	GNOGIIWIEIYUHW-SECBINFHSA-N	-1	1	348.344	-0.005	20	30		EBEDMM
C[C@@H](C#N)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000824034494	583840409	/nfs/dbraw/zinc/84/04/09/583840409.db2.gz	KUPWAOQABVHGLH-QMMMGPOBSA-N	-1	1	332.372	-0.094	20	30		EBEDMM
C[C@@H](C#N)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000824034494	583840412	/nfs/dbraw/zinc/84/04/12/583840412.db2.gz	KUPWAOQABVHGLH-QMMMGPOBSA-N	-1	1	332.372	-0.094	20	30		EBEDMM
CCC(=O)N1CC[C@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1	ZINC000825034599	583854467	/nfs/dbraw/zinc/85/44/67/583854467.db2.gz	MSIZNRBVGMIBIU-ZETCQYMHSA-N	-1	1	329.324	-0.342	20	30		EBEDMM
N#Cc1ncn(CC(=O)NC(=O)NCC(F)(F)F)c1-c1nn[n-]n1	ZINC000826388249	583896215	/nfs/dbraw/zinc/89/62/15/583896215.db2.gz	OUCWOFLBSKKHNJ-UHFFFAOYSA-N	-1	1	343.229	-0.677	20	30		EBEDMM
CN(CCC#N)S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000867901239	584420233	/nfs/dbraw/zinc/42/02/33/584420233.db2.gz	KDNCAPPAQVIQTN-UHFFFAOYSA-N	-1	1	328.316	-0.313	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000938310405	652188824	/nfs/dbraw/zinc/18/88/24/652188824.db2.gz	AHJKKNWOOALLIV-SFYZADRCSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
N#CCNC1CC2(C1)CC(NC(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC000965848054	724531394	/nfs/dbraw/zinc/53/13/94/724531394.db2.gz	VNSLULGFDIRRGO-UHFFFAOYSA-N	-1	1	327.348	-0.428	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1	ZINC000954827884	719923209	/nfs/dbraw/zinc/92/32/09/719923209.db2.gz	IKFHQDJYTARPLU-SSDOTTSWSA-N	-1	1	335.320	-0.661	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)cn1	ZINC000962326888	723227727	/nfs/dbraw/zinc/22/77/27/723227727.db2.gz	PZMDJSUYANQNDT-NHAGDIPZSA-N	-1	1	338.371	-0.655	20	30		EBEDMM
N#Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)c[nH]1	ZINC000962435268	723251916	/nfs/dbraw/zinc/25/19/16/723251916.db2.gz	NXRRWWPRPIFRIA-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)c1	ZINC000962435302	723252476	/nfs/dbraw/zinc/25/24/76/723252476.db2.gz	PBDZAOJZOQCIKE-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
N#Cc1nccc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001051681609	735319788	/nfs/dbraw/zinc/31/97/88/735319788.db2.gz	GHVJKZGZILFKJP-PWSUYJOCSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=C1CC(C)(C(=O)N2CC(NC(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC000996404564	726388374	/nfs/dbraw/zinc/38/83/74/726388374.db2.gz	GLPCOQMFIIZJMZ-UHFFFAOYSA-N	-1	1	342.359	-0.286	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996405490	726388423	/nfs/dbraw/zinc/38/84/23/726388423.db2.gz	IPJXZHROHXZPJO-UHFFFAOYSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
Cn1[n-]c(CN2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O	ZINC001001328157	726602785	/nfs/dbraw/zinc/60/27/85/726602785.db2.gz	OTLXTFJYWPQCIJ-UHFFFAOYSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1CCCN(CC#N)C1	ZINC001025591644	730058509	/nfs/dbraw/zinc/05/85/09/730058509.db2.gz	FVWWJVKSXLTURM-GHMZBOCLSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001028851541	730363127	/nfs/dbraw/zinc/36/31/27/730363127.db2.gz	QDYSLFIGTNYGHP-LLVKDONJSA-N	-1	1	346.395	-0.862	20	30		EBEDMM
C=CCOc1cccnc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031231770	730690331	/nfs/dbraw/zinc/69/03/31/730690331.db2.gz	KZMSMFMTXSLZGV-UHFFFAOYSA-N	-1	1	344.375	-0.318	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039722579	731506814	/nfs/dbraw/zinc/50/68/14/731506814.db2.gz	XDAIMYAJSXEGFW-YVEFUNNKSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC001040995440	731955055	/nfs/dbraw/zinc/95/50/55/731955055.db2.gz	INJICLHRKTVAPF-ZYHUDNBSSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1=O	ZINC001041271837	732059458	/nfs/dbraw/zinc/05/94/58/732059458.db2.gz	CALVJJKCCUJWBF-QGZVFWFLSA-N	-1	1	329.404	-0.054	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)nc1=O	ZINC001042058326	732290059	/nfs/dbraw/zinc/29/00/59/732290059.db2.gz	PTRWUQMOOBNGGA-UONOGXRCSA-N	-1	1	329.404	-0.055	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042713412	732547228	/nfs/dbraw/zinc/54/72/28/732547228.db2.gz	XMGHMINEYMGOMQ-OAHLLOKOSA-N	-1	1	335.360	-0.583	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001043097010	732753644	/nfs/dbraw/zinc/75/36/44/732753644.db2.gz	AJORICCGMQFZKI-SECBINFHSA-N	-1	1	345.359	-0.478	20	30		EBEDMM
N#Cc1ccc(N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nn1	ZINC001043918824	733199032	/nfs/dbraw/zinc/19/90/32/733199032.db2.gz	VXYVQWQZIJLHAF-PWSUYJOCSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
C=CCCn1cc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001044028432	733252983	/nfs/dbraw/zinc/25/29/83/733252983.db2.gz	QRNMQURVEHCWNR-UHFFFAOYSA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C#CCN1CC2(C1)C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982692	736133561	/nfs/dbraw/zinc/13/35/61/736133561.db2.gz	OGHDTYKNAFVYOJ-VIFPVBQESA-N	-1	1	334.332	-0.897	20	30		EBEDMM
Cc1n[nH]c(C(=O)NCCN2CCC(NC(=O)[C@@H](C)C#N)CC2)c1[O-]	ZINC001055561619	736382287	/nfs/dbraw/zinc/38/22/87/736382287.db2.gz	JBFMXJMFMXNQLW-JTQLQIEISA-N	-1	1	348.407	-0.106	20	30		EBEDMM
N#Cc1ccc(N2C[C@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001067666281	740179562	/nfs/dbraw/zinc/17/95/62/740179562.db2.gz	ZUGGLIONHCFYHG-GWCFXTLKSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C=CCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](n2ccnn2)C1	ZINC001069970411	740639689	/nfs/dbraw/zinc/63/96/89/740639689.db2.gz	DNNOJFLNHTZZPR-ZJUUUORDSA-N	-1	1	346.351	-0.894	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001070476347	740841963	/nfs/dbraw/zinc/84/19/63/740841963.db2.gz	IJPHLAJIJSQLQZ-JFGNBEQYSA-N	-1	1	344.379	-0.512	20	30		EBEDMM
C#CCN1CCOC[C@H]1c1nc(CNC(=O)c2[nH]nc(C)c2[O-])n[nH]1	ZINC001070583313	740877096	/nfs/dbraw/zinc/87/70/96/740877096.db2.gz	IZXKPDYUFZUTCV-JTQLQIEISA-N	-1	1	345.363	-0.522	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001070630206	740900226	/nfs/dbraw/zinc/90/02/26/740900226.db2.gz	HGYZIOGJNWTAFI-HBNTYKKESA-N	-1	1	344.379	-0.512	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2	ZINC001071198697	741084809	/nfs/dbraw/zinc/08/48/09/741084809.db2.gz	CKFLLWXHRBJKAT-PXAZEXFGSA-N	-1	1	346.387	-0.576	20	30		EBEDMM
C=CCN1CC[C@@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@H](C)O2	ZINC001071199220	741085080	/nfs/dbraw/zinc/08/50/80/741085080.db2.gz	KJXAQEQEPHBXIT-YVEFUNNKSA-N	-1	1	348.403	-0.023	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21	ZINC000976860233	803911738	/nfs/dbraw/zinc/91/17/38/803911738.db2.gz	DDKKLZFKNHBZGC-RBXMUDONSA-N	-1	1	347.331	-0.757	20	30		EBEDMM
C#CCCN1CCO[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035575449	810925883	/nfs/dbraw/zinc/92/58/83/810925883.db2.gz	DSIRXQIITWXMAH-SNVBAGLBSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
CC#CCN1CCO[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035577660	810928033	/nfs/dbraw/zinc/92/80/33/810928033.db2.gz	RMQPSOWDTLAJSE-SNVBAGLBSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C#CCN1CC2(C1)CCN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)CC2	ZINC001035823372	811033992	/nfs/dbraw/zinc/03/39/92/811033992.db2.gz	IMTIRDLYVZNRAJ-UHFFFAOYSA-N	-1	1	340.387	-0.371	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2[C@@H](CCN2CC#N)C1	ZINC001036870384	811297582	/nfs/dbraw/zinc/29/75/82/811297582.db2.gz	UDONGLCTDGJPLE-UWVGGRQHSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1	ZINC001079652873	811639125	/nfs/dbraw/zinc/63/91/25/811639125.db2.gz	LCZVOJYVDIUXRM-UHFFFAOYSA-N	-1	1	344.371	-0.400	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222661953	811652923	/nfs/dbraw/zinc/65/29/23/811652923.db2.gz	TZAWORHMODRWQT-MCIONIFRSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
C[C@@H](CS)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227476166	811924501	/nfs/dbraw/zinc/92/45/01/811924501.db2.gz	PUWSSQKSPRATTM-VKHMYHEASA-N	-1	1	341.305	-0.977	20	30		EBEDMM
C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081569761	813204676	/nfs/dbraw/zinc/20/46/76/813204676.db2.gz	SYYXQOHGIZZGGX-GXTWGEPZSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C#CCN1C(=O)COCC12CN(C(=O)c1c([O-])c(C)ncc1CO)C2	ZINC001269419212	814684404	/nfs/dbraw/zinc/68/44/04/814684404.db2.gz	KEJNWZMXQOSRBO-UHFFFAOYSA-N	-1	1	345.355	-0.725	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001269725001	815581269	/nfs/dbraw/zinc/58/12/69/815581269.db2.gz	BRTKUSBPSNQMKW-QGZVFWFLSA-N	-1	1	345.403	-0.289	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001271038741	815964193	/nfs/dbraw/zinc/96/41/93/815964193.db2.gz	SDDVQAIFLRTHFO-AWEZNQCLSA-N	-1	1	339.396	-0.408	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001271959559	816272035	/nfs/dbraw/zinc/27/20/35/816272035.db2.gz	SFDDQBFZYKWCGA-QGZVFWFLSA-N	-1	1	349.435	-0.399	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1	ZINC001090629553	817597245	/nfs/dbraw/zinc/59/72/45/817597245.db2.gz	HJJCKYJVGDVFDY-QWHCGFSZSA-N	-1	1	329.360	-0.789	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC(OC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001093517285	818039097	/nfs/dbraw/zinc/03/90/97/818039097.db2.gz	HEJHCPALQCYLIW-NSHDSACASA-N	-1	1	348.407	-0.540	20	30		EBEDMM
N#Cc1ccc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001093739285	818091909	/nfs/dbraw/zinc/09/19/09/818091909.db2.gz	WGSNNKIXHNUPBV-UHFFFAOYSA-N	-1	1	328.332	-0.578	20	30		EBEDMM
N#Cc1cnc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)c(F)c1	ZINC001093739220	818092350	/nfs/dbraw/zinc/09/23/50/818092350.db2.gz	SAHGLYLDJNXCDJ-UHFFFAOYSA-N	-1	1	346.322	-0.439	20	30		EBEDMM
N#Cc1cncc(NCCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001094502656	818278535	/nfs/dbraw/zinc/27/85/35/818278535.db2.gz	UPLVWPAPSVFNCU-UHFFFAOYSA-N	-1	1	339.319	-0.689	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001283427801	818807380	/nfs/dbraw/zinc/80/73/80/818807380.db2.gz	JTMVNJIZKMRGDO-LLVKDONJSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)cn1	ZINC001097939604	819058191	/nfs/dbraw/zinc/05/81/91/819058191.db2.gz	KMDIRMFMDVNZGN-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001284128653	819104989	/nfs/dbraw/zinc/10/49/89/819104989.db2.gz	NQPMKHIKNXAOSA-CHWSQXEVSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C	ZINC001284128657	819105719	/nfs/dbraw/zinc/10/57/19/819105719.db2.gz	NQPMKHIKNXAOSA-QWHCGFSZSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)NC(=O)C#CC(C)C	ZINC001284286912	819169086	/nfs/dbraw/zinc/16/90/86/819169086.db2.gz	QSUBYMGGJHDQFV-VIFPVBQESA-N	-1	1	336.348	-0.210	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001284286092	819169100	/nfs/dbraw/zinc/16/91/00/819169100.db2.gz	ZGMCZVWOCIJCEO-GFCCVEGCSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099849744	819778460	/nfs/dbraw/zinc/77/84/60/819778460.db2.gz	IVSRTOPQFMZMQX-VXGBXAGGSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1C(=O)C#CC(C)C	ZINC001285879363	819804255	/nfs/dbraw/zinc/80/42/55/819804255.db2.gz	GMDQXRDUQQWIAC-JTQLQIEISA-N	-1	1	348.359	-0.114	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](O)C1	ZINC001099899320	819866302	/nfs/dbraw/zinc/86/63/02/819866302.db2.gz	QYCDEXNNPSEPFX-VXGBXAGGSA-N	-1	1	337.380	-0.956	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1ccnc(C#N)n1	ZINC001107855261	823999319	/nfs/dbraw/zinc/99/93/19/823999319.db2.gz	IDZUPCIXISFEAT-SSDOTTSWSA-N	-1	1	345.319	-0.790	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1ccnc(C#N)n1	ZINC001108461297	824295880	/nfs/dbraw/zinc/29/58/80/824295880.db2.gz	IDZUPCIXISFEAT-ZETCQYMHSA-N	-1	1	345.319	-0.790	20	30		EBEDMM
N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001111066024	824894500	/nfs/dbraw/zinc/89/45/00/824894500.db2.gz	LGDGKHCAEUCDOP-INIZCTEOSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
N#Cc1nccnc1NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001111465914	825144267	/nfs/dbraw/zinc/14/42/67/825144267.db2.gz	XMWXEPWMLJGPDM-UHFFFAOYSA-N	-1	1	328.332	-0.005	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001111489617	825159697	/nfs/dbraw/zinc/15/96/97/825159697.db2.gz	FZLHCWDVOYTUTE-LPWJVIDDSA-N	-1	1	335.408	-0.079	20	30		EBEDMM
C=C[C@H](CO)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC001118793760	826999458	/nfs/dbraw/zinc/99/94/58/826999458.db2.gz	GAVRSJRTQYMZSU-GFCCVEGCSA-N	-1	1	336.392	-0.077	20	30		EBEDMM
N#Cc1ccccc1CNCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001130757184	828930025	/nfs/dbraw/zinc/93/00/25/828930025.db2.gz	VILHNABOAGCNEQ-UHFFFAOYSA-N	-1	1	342.359	-0.007	20	30		EBEDMM
C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@@H]1CNCC#N	ZINC001185491145	833360180	/nfs/dbraw/zinc/36/01/80/833360180.db2.gz	FRYIRDYFGPEVGH-GHMZBOCLSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C=C(Br)CNCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001132239580	829390284	/nfs/dbraw/zinc/39/02/84/829390284.db2.gz	MUJDVCUGTVTSIN-UHFFFAOYSA-N	-1	1	331.170	-0.286	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)OC	ZINC001211664187	837452961	/nfs/dbraw/zinc/45/29/61/837452961.db2.gz	GIAFFMCSHITWCB-VIFPVBQESA-N	-1	1	347.349	-0.781	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001157945940	831611054	/nfs/dbraw/zinc/61/10/54/831611054.db2.gz	SUQFOTKJHMLHDT-ZIAGYGMSSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
C#CCOCCC(=O)N1CCCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001157957583	831613333	/nfs/dbraw/zinc/61/33/33/831613333.db2.gz	FNCKDOKEBNKFSP-CQSZACIVSA-N	-1	1	349.435	-0.039	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001190440595	834268290	/nfs/dbraw/zinc/26/82/90/834268290.db2.gz	JSAHGCHAVNUMMR-RWMBFGLXSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
COCC#CCN(C)[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001192712485	834721860	/nfs/dbraw/zinc/72/18/60/834721860.db2.gz	JRAHKJWZLUNCBS-CYBMUJFWSA-N	-1	1	343.387	-0.181	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200478672	835972020	/nfs/dbraw/zinc/97/20/20/835972020.db2.gz	LDGAAPUMWFBNOU-RYUDHWBXSA-N	-1	1	337.380	-0.744	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202787964	836347167	/nfs/dbraw/zinc/34/71/67/836347167.db2.gz	YJWGIHMPGDISOF-WDEREUQCSA-N	-1	1	346.391	-0.833	20	30		EBEDMM
C[C@@]1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCCN(CC#N)C1	ZINC001324971991	839746359	/nfs/dbraw/zinc/74/63/59/839746359.db2.gz	NACSFEJRLZNCDF-INIZCTEOSA-N	-1	1	333.392	-0.331	20	30		EBEDMM
C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325122785	839789366	/nfs/dbraw/zinc/78/93/66/839789366.db2.gz	JIABPNWMBTYSLO-BLLLJJGKSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
C#CCCCC(=O)N1CCOC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001327318956	840365833	/nfs/dbraw/zinc/36/58/33/840365833.db2.gz	CHMACBSIDNCUCT-UHFFFAOYSA-N	-1	1	333.392	-0.675	20	30		EBEDMM
CC(=O)N1C[C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C[C@H]2C1	ZINC001573452886	945856386	/nfs/dbraw/zinc/85/63/86/945856386.db2.gz	ITIIFZHNMWHCHW-AOOOYVTPSA-N	-1	1	325.336	-0.557	20	30		EBEDMM
CC(=O)N[C@@](C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C(C)C	ZINC001573455575	945884232	/nfs/dbraw/zinc/88/42/32/945884232.db2.gz	FGRPEVNXMSNIGL-CYBMUJFWSA-N	-1	1	331.340	-0.049	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)cn1	ZINC001573288520	946866503	/nfs/dbraw/zinc/86/65/03/946866503.db2.gz	RHSKYDNQVYRNFU-UHFFFAOYSA-N	-1	1	335.331	-0.125	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)cn1	ZINC001573288520	946866509	/nfs/dbraw/zinc/86/65/09/946866509.db2.gz	RHSKYDNQVYRNFU-UHFFFAOYSA-N	-1	1	335.331	-0.125	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573562308	946971931	/nfs/dbraw/zinc/97/19/31/946971931.db2.gz	SFTVBXLUWIOWJN-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573562308	946971937	/nfs/dbraw/zinc/97/19/37/946971937.db2.gz	SFTVBXLUWIOWJN-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573562309	946972837	/nfs/dbraw/zinc/97/28/37/946972837.db2.gz	SFTVBXLUWIOWJN-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573562309	946972845	/nfs/dbraw/zinc/97/28/45/946972845.db2.gz	SFTVBXLUWIOWJN-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573562610	946976227	/nfs/dbraw/zinc/97/62/27/946976227.db2.gz	VCHCYNJZAZTGOQ-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573562610	946976243	/nfs/dbraw/zinc/97/62/43/946976243.db2.gz	VCHCYNJZAZTGOQ-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564829	946999939	/nfs/dbraw/zinc/99/99/39/946999939.db2.gz	LTBXZHYSTIUVIK-BMIGLBTASA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573566572	947027397	/nfs/dbraw/zinc/02/73/97/947027397.db2.gz	DIFSCNAGJVVKJT-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573566572	947027407	/nfs/dbraw/zinc/02/74/07/947027407.db2.gz	DIFSCNAGJVVKJT-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573567724	947054744	/nfs/dbraw/zinc/05/47/44/947054744.db2.gz	RHQZHQCNRMYHNH-VHSXEESVSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573570345	947085602	/nfs/dbraw/zinc/08/56/02/947085602.db2.gz	MXBUVXOXYAVZQH-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573570345	947085611	/nfs/dbraw/zinc/08/56/11/947085611.db2.gz	MXBUVXOXYAVZQH-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571716	947102860	/nfs/dbraw/zinc/10/28/60/947102860.db2.gz	AFWMGZVXNRLBHH-IDKOKCKLSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573572071	947108804	/nfs/dbraw/zinc/10/88/04/947108804.db2.gz	DQDDXUPDXYTHTE-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573572071	947108814	/nfs/dbraw/zinc/10/88/14/947108814.db2.gz	DQDDXUPDXYTHTE-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573574647	947130087	/nfs/dbraw/zinc/13/00/87/947130087.db2.gz	SIHPVSZIYIYLCN-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573574647	947130095	/nfs/dbraw/zinc/13/00/95/947130095.db2.gz	SIHPVSZIYIYLCN-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573574651	947130561	/nfs/dbraw/zinc/13/05/61/947130561.db2.gz	SIHPVSZIYIYLCN-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573574651	947130566	/nfs/dbraw/zinc/13/05/66/947130566.db2.gz	SIHPVSZIYIYLCN-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573584101	947210958	/nfs/dbraw/zinc/21/09/58/947210958.db2.gz	QKOCRJDPNYDRTM-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573584253	947217671	/nfs/dbraw/zinc/21/76/71/947217671.db2.gz	RYFGHQLZEBCFBS-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573584253	947217679	/nfs/dbraw/zinc/21/76/79/947217679.db2.gz	RYFGHQLZEBCFBS-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1	ZINC001573584615	947230360	/nfs/dbraw/zinc/23/03/60/947230360.db2.gz	ZKPRPKBCEAPLQK-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1	ZINC001573584615	947230370	/nfs/dbraw/zinc/23/03/70/947230370.db2.gz	ZKPRPKBCEAPLQK-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573585222	947249717	/nfs/dbraw/zinc/24/97/17/947249717.db2.gz	DCQOBAODZVOGCR-ZETCQYMHSA-N	-1	1	330.308	-0.968	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C	ZINC001573586399	947289534	/nfs/dbraw/zinc/28/95/34/947289534.db2.gz	PNSPNYBLPLBIGX-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C	ZINC001573586399	947289541	/nfs/dbraw/zinc/28/95/41/947289541.db2.gz	PNSPNYBLPLBIGX-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573342979	947549168	/nfs/dbraw/zinc/54/91/68/947549168.db2.gz	HVLCKQNYRNORNF-MSRIBSCDSA-N	-1	1	342.363	-0.590	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573342979	947549174	/nfs/dbraw/zinc/54/91/74/947549174.db2.gz	HVLCKQNYRNORNF-MSRIBSCDSA-N	-1	1	342.363	-0.590	20	30		EBEDMM
C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)[C@H](C)S(C)(=O)=O	ZINC001573755719	948778254	/nfs/dbraw/zinc/77/82/54/948778254.db2.gz	SVNCXXDNEPXSDM-RITPCOANSA-N	-1	1	338.353	-0.531	20	30		EBEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)[C@H](C)S(C)(=O)=O	ZINC001573755720	948778716	/nfs/dbraw/zinc/77/87/16/948778716.db2.gz	SVNCXXDNEPXSDM-WDSKDSINSA-N	-1	1	338.353	-0.531	20	30		EBEDMM
C[S@@](=N)(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001570935369	948979286	/nfs/dbraw/zinc/97/92/86/948979286.db2.gz	RNTNUBCZYDFOCK-QHCPKHFHSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
C[S@@](=N)(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001570935369	948979301	/nfs/dbraw/zinc/97/93/01/948979301.db2.gz	RNTNUBCZYDFOCK-QHCPKHFHSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
C[NH+](C)CCn1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cn1	ZINC001570939706	949152992	/nfs/dbraw/zinc/15/29/92/949152992.db2.gz	HCZBPDVTMVIRAV-UHFFFAOYSA-N	-1	1	341.339	-0.528	20	30		EBEDMM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn(-c2ccncc2)c1	ZINC001588397269	958054718	/nfs/dbraw/zinc/05/47/18/958054718.db2.gz	BSUPDEIEKDOKJI-UHFFFAOYSA-N	-1	1	327.300	-0.248	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	ZINC001588469386	958514530	/nfs/dbraw/zinc/51/45/30/958514530.db2.gz	BZVYTSTXTNPBSW-UHFFFAOYSA-N	-1	1	333.410	-0.565	20	30		EBEDMM
CON=CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001604662215	973841717	/nfs/dbraw/zinc/84/17/17/973841717.db2.gz	XKOXVOYGMCSPQY-POYBYMJQSA-N	-1	1	325.243	-0.259	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605585816	973877583	/nfs/dbraw/zinc/87/75/83/973877583.db2.gz	ISFIXRFRWSLMJQ-VXNVDRBHSA-N	-1	1	336.270	-0.778	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001588471351	983505726	/nfs/dbraw/zinc/50/57/26/983505726.db2.gz	JYPLRHVIBRYZOJ-KGLIPLIRSA-N	-1	1	333.388	-0.621	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001588471349	983505770	/nfs/dbraw/zinc/50/57/70/983505770.db2.gz	JYPLRHVIBRYZOJ-KBPBESRZSA-N	-1	1	333.388	-0.621	20	30		EBEDMM
C#CCN1CCC(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588471697	983507086	/nfs/dbraw/zinc/50/70/86/983507086.db2.gz	XOOAMEQMQGGODT-UONOGXRCSA-N	-1	1	335.404	-0.373	20	30		EBEDMM
C=CCOC[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C(=O)[O-]	ZINC001588854261	984389569	/nfs/dbraw/zinc/38/95/69/984389569.db2.gz	SYPLUNHZCDTQEH-VIFPVBQESA-N	-1	1	334.336	-0.439	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)[O-])C1)c1cc[nH]n1	ZINC001596629194	984610844	/nfs/dbraw/zinc/61/08/44/984610844.db2.gz	NPRKQENVUGWLKO-VIFPVBQESA-N	-1	1	338.320	-0.373	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001481400016	1125981839	/nfs/dbraw/zinc/98/18/39/1125981839.db2.gz	ORLYVCKBPPEDDG-KBPBESRZSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
C#CCCCC(=O)NC[C@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486853040	1127311858	/nfs/dbraw/zinc/31/18/58/1127311858.db2.gz	UKFJMQZHKNYTRD-NSHDSACASA-N	-1	1	344.375	-0.202	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001411165523	1128058826	/nfs/dbraw/zinc/05/88/26/1128058826.db2.gz	LODDVUDPNHSQBY-WCQYABFASA-N	-1	1	346.391	-0.567	20	30		EBEDMM
C#CCN(CCO)[C@H]1CCCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001489160791	1128923771	/nfs/dbraw/zinc/92/37/71/1128923771.db2.gz	AJOHNQKCYDDJJT-LBPRGKRZSA-N	-1	1	349.391	-0.866	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001489781903	1129068238	/nfs/dbraw/zinc/06/82/38/1129068238.db2.gz	ZYKKCDJQZMQOBC-ZJUUUORDSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)C#CC(C)C)CC1	ZINC001358678599	1131254641	/nfs/dbraw/zinc/25/46/41/1131254641.db2.gz	WKZGLVCFQHFQID-UHFFFAOYSA-N	-1	1	348.359	-0.066	20	30		EBEDMM
N#Cc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)c(=O)[n-]c1=O	ZINC001412402700	1129520122	/nfs/dbraw/zinc/52/01/22/1129520122.db2.gz	UAYOHCPIPXNNMH-UHFFFAOYSA-N	-1	1	347.375	-0.856	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@]23COCCN2C(=O)COC3)o1	ZINC001413411154	1130076433	/nfs/dbraw/zinc/07/64/33/1130076433.db2.gz	RQVOOITWHJNXCL-CYBMUJFWSA-N	-1	1	341.345	-0.943	20	30		EBEDMM
COC[C@H](NC(=O)COc1ccc(C#N)cc1OC)c1nn[n-]n1	ZINC001413552368	1130131682	/nfs/dbraw/zinc/13/16/82/1130131682.db2.gz	JWNIMZRPEOOYTB-JTQLQIEISA-N	-1	1	332.320	-0.037	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356776713	1130933856	/nfs/dbraw/zinc/93/38/56/1130933856.db2.gz	AVKQSGKDNYWWAN-UHFFFAOYSA-N	-1	1	334.376	-0.534	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(C(=O)C#CC(C)(C)C)C1	ZINC001356778775	1130936187	/nfs/dbraw/zinc/93/61/87/1130936187.db2.gz	SVVMIVLCDQIMFX-UHFFFAOYSA-N	-1	1	348.359	-0.114	20	30		EBEDMM
C[C@H](O)CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362409577	1131577543	/nfs/dbraw/zinc/57/75/43/1131577543.db2.gz	RZIOLSZFAQVZOH-RYUDHWBXSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
N#Cc1cn(CCNC(=O)[C@H]2CCCc3[nH]ncc32)c(=O)[n-]c1=O	ZINC001363006773	1131743229	/nfs/dbraw/zinc/74/32/29/1131743229.db2.gz	ZVIQSEZVOOIADK-JTQLQIEISA-N	-1	1	328.332	-0.220	20	30		EBEDMM
CC[C@](COC)([N-]S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC	ZINC001363953369	1132141383	/nfs/dbraw/zinc/14/13/83/1132141383.db2.gz	ZDOWNZYFIXYAKO-CMPLNLGQSA-N	-1	1	335.382	-0.987	20	30		EBEDMM
N#Cc1cn(C2CN(C(=O)CCN3CC[C@@H](F)C3)C2)c(=O)[n-]c1=O	ZINC001365146157	1132559887	/nfs/dbraw/zinc/55/98/87/1132559887.db2.gz	DRLPAHAZAMNWQD-LLVKDONJSA-N	-1	1	335.339	-0.362	20	30		EBEDMM
CO[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCS(=O)(=O)C1	ZINC001365462864	1132694580	/nfs/dbraw/zinc/69/45/80/1132694580.db2.gz	AIHUVSWIVIBHEM-LLVKDONJSA-N	-1	1	334.375	-0.367	20	30		EBEDMM
N#Cc1cc([O-])cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1	ZINC000589187611	377401167	/nfs/dbraw/zinc/40/11/67/377401167.db2.gz	CFNFYZTVYJUMPX-UHFFFAOYSA-N	-1	1	338.389	-0.690	20	30		EBEDMM
N#CCNS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1CCCC1(F)F	ZINC000594640233	377948677	/nfs/dbraw/zinc/94/86/77/377948677.db2.gz	VBSAJXRMJPCFJT-VIFPVBQESA-N	-1	1	345.393	-0.073	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)[N-][C@](C)(COC)C(=O)OC	ZINC000336936950	378585682	/nfs/dbraw/zinc/58/56/82/378585682.db2.gz	GMLYUHLOGSNUSV-GFCCVEGCSA-N	-1	1	337.398	-0.739	20	30		EBEDMM
C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491450953	379599603	/nfs/dbraw/zinc/59/96/03/379599603.db2.gz	CSDPBRWBJCOELK-JTQLQIEISA-N	-1	1	334.423	-0.127	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140837	379950246	/nfs/dbraw/zinc/95/02/46/379950246.db2.gz	LSUZFDXXYULDNQ-LLVKDONJSA-N	-1	1	332.426	-0.054	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1[O-]	ZINC000615425384	381071278	/nfs/dbraw/zinc/07/12/78/381071278.db2.gz	PSPIXQGUGQTVCA-UHFFFAOYSA-N	-1	1	342.355	-0.173	20	30		EBEDMM
N#Cc1cc(F)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(F)c1	ZINC000583302221	381124082	/nfs/dbraw/zinc/12/40/82/381124082.db2.gz	JGXQTDJEIGOMOJ-UHFFFAOYSA-N	-1	1	347.299	-0.294	20	30		EBEDMM
N#CCC(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1	ZINC000450131279	382204203	/nfs/dbraw/zinc/20/42/03/382204203.db2.gz	XPDBCYBKWGEVEO-UHFFFAOYSA-N	-1	1	331.332	-0.899	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)s2)c(=O)n(C)c1=O	ZINC000420704784	268129894	/nfs/dbraw/zinc/12/98/94/268129894.db2.gz	MMFDLWROBXKCDH-UHFFFAOYSA-N	-1	1	340.386	-0.504	20	30		EBEDMM
C#CCNCC(=O)[N-]S(=O)(=O)c1cccc(OCCOC)c1	ZINC000901040485	582789243	/nfs/dbraw/zinc/78/92/43/582789243.db2.gz	MBFWOIFOTAZWNX-UHFFFAOYSA-N	-1	1	326.374	-0.261	20	30		EBEDMM
Cc1nc(C#N)c(N2CCN(C(=O)CNC(C)(C)C(=O)[O-])CC2)o1	ZINC000738339267	583051355	/nfs/dbraw/zinc/05/13/55/583051355.db2.gz	JENDCPWLQZPMSF-UHFFFAOYSA-N	-1	1	335.364	-0.044	20	30		EBEDMM
CCN1C(=O)C(=NNC=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000814318867	583705336	/nfs/dbraw/zinc/70/53/36/583705336.db2.gz	JZIKLRRVOMVIRR-UHFFFAOYSA-N	-1	1	343.368	-0.238	20	30		EBEDMM
CC(C)CN1CCO[C@@H](CNC(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000826885826	583912001	/nfs/dbraw/zinc/91/20/01/583912001.db2.gz	JYPANQPQDNWIMC-ZDUSSCGKSA-N	-1	1	326.397	-0.630	20	30		EBEDMM
CN(CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1ncnc2[nH]cnc21	ZINC000828096061	583933460	/nfs/dbraw/zinc/93/34/60/583933460.db2.gz	UTKNAOMEHRXCNN-VIFPVBQESA-N	-1	1	344.335	-0.497	20	30		EBEDMM
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1C(=O)NOC[C@@H]1CCOC1	ZINC000907665611	650088248	/nfs/dbraw/zinc/08/82/48/650088248.db2.gz	INYBWBCHHWHVLU-MQYQWHSLSA-N	-1	1	340.376	-0.043	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000941662765	652863220	/nfs/dbraw/zinc/86/32/20/652863220.db2.gz	HAFLRRRXGGQBNY-SNVBAGLBSA-N	-1	1	346.343	-0.360	20	30		EBEDMM
N#CCN1C[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@@H]2C1	ZINC000946821775	653239510	/nfs/dbraw/zinc/23/95/10/653239510.db2.gz	URIPUXMWIBXJTK-OKILXGFUSA-N	-1	1	345.403	-0.379	20	30		EBEDMM
C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969463839	725182956	/nfs/dbraw/zinc/18/29/56/725182956.db2.gz	WAMMAILTJWHGSE-VIFPVBQESA-N	-1	1	329.364	-0.442	20	30		EBEDMM
N#Cc1cncc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001051682288	735320130	/nfs/dbraw/zinc/32/01/30/735320130.db2.gz	OOTPYSRBWFPMNM-AAEUAGOBSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#Cc1ccc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)nn1	ZINC001051683226	735321682	/nfs/dbraw/zinc/32/16/82/735321682.db2.gz	ZLOSSGKHJZPPEF-WCQYABFASA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996403779	726388039	/nfs/dbraw/zinc/38/80/39/726388039.db2.gz	ATGQVRNHZVMGMA-INIZCTEOSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCn1cc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC001003759427	726689139	/nfs/dbraw/zinc/68/91/39/726689139.db2.gz	LICVYGWIEBUQBK-UHFFFAOYSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C=C(C)CN1CCN([C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1	ZINC001052046803	735519587	/nfs/dbraw/zinc/51/95/87/735519587.db2.gz	DGECOKRVRYUXTG-LBPRGKRZSA-N	-1	1	348.407	-0.309	20	30		EBEDMM
N#Cc1ccccc1CN[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001019710823	728976373	/nfs/dbraw/zinc/97/63/73/728976373.db2.gz	XFZDOJBYBBEQLM-ZDUSSCGKSA-N	-1	1	342.359	-0.048	20	30		EBEDMM
N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)[nH]1	ZINC001023488279	729702254	/nfs/dbraw/zinc/70/22/54/729702254.db2.gz	AHRDVZCRNRGQDI-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001061522679	738582091	/nfs/dbraw/zinc/58/20/91/738582091.db2.gz	AZZXVBPDZMMNES-ZDUSSCGKSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001061523099	738582559	/nfs/dbraw/zinc/58/25/59/738582559.db2.gz	ISMQQJLJYAMNKS-QWHCGFSZSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001047554062	734251566	/nfs/dbraw/zinc/25/15/66/734251566.db2.gz	IHOPYXGVWWTFGV-STQMWFEESA-N	-1	1	329.360	-0.837	20	30		EBEDMM
C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001047568335	734258265	/nfs/dbraw/zinc/25/82/65/734258265.db2.gz	SODQCSLVIIQMPH-STQMWFEESA-N	-1	1	346.391	-0.849	20	30		EBEDMM
C=C1CC(C)(C(=O)N2CCOC3(CN(Cc4nc(=O)n(C)[n-]4)C3)C2)C1	ZINC001053421041	735867016	/nfs/dbraw/zinc/86/70/16/735867016.db2.gz	URPBHQNHRUWFDL-UHFFFAOYSA-N	-1	1	347.419	-0.122	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCC1	ZINC001064306753	739273588	/nfs/dbraw/zinc/27/35/88/739273588.db2.gz	PCKIVIMNSJAOMB-NSHDSACASA-N	-1	1	347.375	-0.759	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CCC1	ZINC001064306725	739273624	/nfs/dbraw/zinc/27/36/24/739273624.db2.gz	OOKTWJZEJYONPH-VIFPVBQESA-N	-1	1	343.347	-0.654	20	30		EBEDMM
C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001064969327	739448210	/nfs/dbraw/zinc/44/82/10/739448210.db2.gz	BXQMDYIXWWNHRV-LBPRGKRZSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
N#Cc1nccc(NC[C@@H]2CN(C(=O)c3ncccc3[O-])CCO2)n1	ZINC001066614070	740007276	/nfs/dbraw/zinc/00/72/76/740007276.db2.gz	SFZWSCVAJHXLAE-LLVKDONJSA-N	-1	1	340.343	-0.176	20	30		EBEDMM
C=CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071186860	741081118	/nfs/dbraw/zinc/08/11/18/741081118.db2.gz	XNRAGINRUKXSOS-BONVTDFDSA-N	-1	1	335.364	-0.226	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071229410	741095261	/nfs/dbraw/zinc/09/52/61/741095261.db2.gz	PEGZHVRPTWKVGX-VXGBXAGGSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
CC#CCN1CCCO[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001073804668	741747595	/nfs/dbraw/zinc/74/75/95/741747595.db2.gz	SCRGBURRULBDGZ-ZDUSSCGKSA-N	-1	1	343.387	-0.133	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)nc1=O	ZINC001074237660	741868200	/nfs/dbraw/zinc/86/82/00/741868200.db2.gz	CPODQZABVUENTG-KGLIPLIRSA-N	-1	1	345.403	-0.677	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001077402735	742957367	/nfs/dbraw/zinc/95/73/67/742957367.db2.gz	ZWYFMRRUDRFPMH-ZDUSSCGKSA-N	-1	1	348.403	-0.259	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000983217431	806954444	/nfs/dbraw/zinc/95/44/44/806954444.db2.gz	TYXMUWJNIYBNJW-NXEZZACHSA-N	-1	1	343.347	-0.844	20	30		EBEDMM
N=C(c1ccccc1N)N([O-])C(=O)Cn1cnc2c1nc(N)[nH]c2=O	ZINC001218968996	810551395	/nfs/dbraw/zinc/55/13/95/810551395.db2.gz	WXQYYNRPTJDWES-UHFFFAOYSA-N	-1	1	342.319	-0.060	20	30		EBEDMM
C=CCCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001220280908	811045168	/nfs/dbraw/zinc/04/51/68/811045168.db2.gz	YGPRNYMUVSGEHE-NEPJUHHUSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
N#CCN1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC[C@@H]21	ZINC001036869808	811296646	/nfs/dbraw/zinc/29/66/46/811296646.db2.gz	KPADAZBZOMPEHS-JQWIXIFHSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
Cn1[n-]c(CN2CCC(CNC(=O)CSCC#N)CC2)nc1=O	ZINC001222419880	811627945	/nfs/dbraw/zinc/62/79/45/811627945.db2.gz	HRTMAPJNADBXIE-UHFFFAOYSA-N	-1	1	338.437	-0.307	20	30		EBEDMM
C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424788	812913078	/nfs/dbraw/zinc/91/30/78/812913078.db2.gz	JPAUTNJYBHRBRU-YPMHNXCESA-N	-1	1	335.360	-0.461	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081471673	813011975	/nfs/dbraw/zinc/01/19/75/813011975.db2.gz	QNHNNWBAUJXJDK-OCCSQVGLSA-N	-1	1	329.356	-0.250	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081471671	813012270	/nfs/dbraw/zinc/01/22/70/813012270.db2.gz	QNHNNWBAUJXJDK-GXTWGEPZSA-N	-1	1	329.356	-0.250	20	30		EBEDMM
C=CCCC(=O)NCc1nc(CNCc2nc(=O)n(C)[n-]2)cc(=O)[nH]1	ZINC001264025724	813141368	/nfs/dbraw/zinc/14/13/68/813141368.db2.gz	UWVMSHHTTPAXCI-UHFFFAOYSA-N	-1	1	347.379	-0.524	20	30		EBEDMM
C=C(Br)CNCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001267397753	813877928	/nfs/dbraw/zinc/87/79/28/813877928.db2.gz	JPZDSZNRGRMCLH-UHFFFAOYSA-N	-1	1	332.158	-0.147	20	30		EBEDMM
COCC#CCN(C)C[C@@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001268749315	814377974	/nfs/dbraw/zinc/37/79/74/814377974.db2.gz	URWLVEARAFLXFT-GFCCVEGCSA-N	-1	1	331.376	-0.278	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)nc1	ZINC001088988461	816775385	/nfs/dbraw/zinc/77/53/85/816775385.db2.gz	XJPILNSETYFAKT-YPMHNXCESA-N	-1	1	340.387	-0.123	20	30		EBEDMM
CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)c1ncccc1[O-]	ZINC001275100347	817151249	/nfs/dbraw/zinc/15/12/49/817151249.db2.gz	JHMYWJZXIAJNFM-LBPRGKRZSA-N	-1	1	331.376	-0.037	20	30		EBEDMM
C#CCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@H]1C	ZINC001276973999	817504323	/nfs/dbraw/zinc/50/43/23/817504323.db2.gz	YCGUWCJILFTLGU-LLVKDONJSA-N	-1	1	343.395	-0.864	20	30		EBEDMM
C=CCCC[N@@H+]1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@@H]1C	ZINC001277758168	817632980	/nfs/dbraw/zinc/63/29/80/817632980.db2.gz	CCYLSKGMWGPKRJ-NSHDSACASA-N	-1	1	345.411	-0.311	20	30		EBEDMM
C=CCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@@H]1C	ZINC001277758168	817632983	/nfs/dbraw/zinc/63/29/83/817632983.db2.gz	CCYLSKGMWGPKRJ-NSHDSACASA-N	-1	1	345.411	-0.311	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)c2cc(=O)n3[n-]cnc3n2)nn1	ZINC001094502606	818278986	/nfs/dbraw/zinc/27/89/86/818278986.db2.gz	SSUMKAVUDFIKOX-UHFFFAOYSA-N	-1	1	339.319	-0.689	20	30		EBEDMM
CC(C)C#CC(=O)NCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284518155	819268351	/nfs/dbraw/zinc/26/83/51/819268351.db2.gz	KFYHGFMHCWNRED-UHFFFAOYSA-N	-1	1	334.376	-0.839	20	30		EBEDMM
C#CCCCC(=O)NC[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001285756708	819759571	/nfs/dbraw/zinc/75/95/71/819759571.db2.gz	XXXAMWHXWMBTIX-VIFPVBQESA-N	-1	1	336.348	-0.066	20	30		EBEDMM
C=CCCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001099987355	819994215	/nfs/dbraw/zinc/99/42/15/819994215.db2.gz	ZBBCAIWFQGZPSU-STQMWFEESA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001289623498	820406544	/nfs/dbraw/zinc/40/65/44/820406544.db2.gz	IHUTXLVXPBXUPC-LOWVWBTDSA-N	-1	1	333.344	-0.873	20	30		EBEDMM
CN(CCNc1ccc(C#N)nn1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699209	820883215	/nfs/dbraw/zinc/88/32/15/820883215.db2.gz	OQPDZGZJNKKIJY-UHFFFAOYSA-N	-1	1	339.319	-0.737	20	30		EBEDMM
C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001295113434	821050849	/nfs/dbraw/zinc/05/08/49/821050849.db2.gz	MORCMJREFBEZDX-XYPYZODXSA-N	-1	1	342.359	-0.402	20	30		EBEDMM
CC#CCCCC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001296198073	821223297	/nfs/dbraw/zinc/22/32/97/821223297.db2.gz	JXTZQUAQSOCRIG-UHFFFAOYSA-N	-1	1	344.375	-0.201	20	30		EBEDMM
Cc1n[nH]c(C(=O)NCC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1[O-]	ZINC001102866326	821224554	/nfs/dbraw/zinc/22/45/54/821224554.db2.gz	MVGWHNQZTVQJKP-ZYHUDNBSSA-N	-1	1	348.407	-0.249	20	30		EBEDMM
CC(C)C#CC(=O)N[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001298766520	821594407	/nfs/dbraw/zinc/59/44/07/821594407.db2.gz	OHWJDKKEINKKIT-LBPRGKRZSA-N	-1	1	334.376	-0.793	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001299079973	821645235	/nfs/dbraw/zinc/64/52/35/821645235.db2.gz	JYKRQPVPOAVYIK-JTQLQIEISA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CC[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OCC	ZINC001309390699	821777774	/nfs/dbraw/zinc/77/77/74/821777774.db2.gz	LODIDDSMOYDLKM-SNVBAGLBSA-N	-1	1	342.439	-0.695	20	30		EBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001317306922	822077024	/nfs/dbraw/zinc/07/70/24/822077024.db2.gz	OCJCYIIUFOIQNG-RYUDHWBXSA-N	-1	1	336.396	-0.328	20	30		EBEDMM
N#CCN1CC[C@@]2(CNC(=O)CCn3cc[n-]c(=O)c3=O)CCC[C@@H]12	ZINC001107578840	823885304	/nfs/dbraw/zinc/88/53/04/823885304.db2.gz	CNYCAPGTCMQPAG-CXAGYDPISA-N	-1	1	345.403	-0.189	20	30		EBEDMM
C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1	ZINC001107890526	824021179	/nfs/dbraw/zinc/02/11/79/824021179.db2.gz	OUHKDJKIXVOBKX-KRWDZBQOSA-N	-1	1	348.403	-0.090	20	30		EBEDMM
C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1	ZINC001107890908	824021787	/nfs/dbraw/zinc/02/17/87/824021787.db2.gz	ZLRHFPSIGZRNNG-KRWDZBQOSA-N	-1	1	346.387	-0.643	20	30		EBEDMM
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2	ZINC001110467770	824736165	/nfs/dbraw/zinc/73/61/65/824736165.db2.gz	HKWGJFOYLWDWPJ-UTUOFQBUSA-N	-1	1	329.360	-0.238	20	30		EBEDMM
CC#CCN[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C(F)(F)F	ZINC001112200218	825401060	/nfs/dbraw/zinc/40/10/60/825401060.db2.gz	RBQDIHYFUMZKAO-RKDXNWHRSA-N	-1	1	347.297	-0.309	20	30		EBEDMM
C=CCOCCN1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1	ZINC001113533065	825910784	/nfs/dbraw/zinc/91/07/84/825910784.db2.gz	QXHZEGQBZTYLBA-UHFFFAOYSA-N	-1	1	338.364	-0.143	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001114143957	826147808	/nfs/dbraw/zinc/14/78/08/826147808.db2.gz	XNCITRZBTNYWTP-WYUUTHIRSA-N	-1	1	331.376	-0.778	20	30		EBEDMM
C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@H]1CNCC#N	ZINC001185491146	833360098	/nfs/dbraw/zinc/36/00/98/833360098.db2.gz	FRYIRDYFGPEVGH-MNOVXSKESA-N	-1	1	329.364	-0.371	20	30		EBEDMM
CN1CC(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])C1	ZINC001142605380	830133843	/nfs/dbraw/zinc/13/38/43/830133843.db2.gz	ZBLOYKOYUDQPCU-SECBINFHSA-N	-1	1	327.343	-0.909	20	30		EBEDMM
C#CCOCCC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147530390	830354079	/nfs/dbraw/zinc/35/40/79/830354079.db2.gz	LEBPRMBPBBLXFB-UHFFFAOYSA-N	-1	1	333.392	-0.817	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001212156504	837560277	/nfs/dbraw/zinc/56/02/77/837560277.db2.gz	PJJIUHHKLBXCIJ-OUCADQQQSA-N	-1	1	348.403	-0.093	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001350495367	832170950	/nfs/dbraw/zinc/17/09/50/832170950.db2.gz	PSAXCHHBABHMDH-LLVKDONJSA-N	-1	1	330.344	-0.743	20	30		EBEDMM
C#CCCCC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001177006332	832731973	/nfs/dbraw/zinc/73/19/73/832731973.db2.gz	ONXVLVMSYXRDMN-KGLIPLIRSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
C#CCCCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001195334252	835215645	/nfs/dbraw/zinc/21/56/45/835215645.db2.gz	XKDWWQQGPXOEOM-CHWSQXEVSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCCC1	ZINC001199560134	835830379	/nfs/dbraw/zinc/83/03/79/835830379.db2.gz	OYORLEQEKPUAIY-CHWSQXEVSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-][C@H](C#N)C(N)=O)C1	ZINC001201715584	836181587	/nfs/dbraw/zinc/18/15/87/836181587.db2.gz	HAHVJAFFBIEUGB-DTWKUNHWSA-N	-1	1	332.382	-0.707	20	30		EBEDMM
N#CCN[C@@H]1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C12CCC2	ZINC001203500116	836438723	/nfs/dbraw/zinc/43/87/23/836438723.db2.gz	NOBLBCWZFOSNNP-NEPJUHHUSA-N	-1	1	331.376	-0.533	20	30		EBEDMM
N#Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1O	ZINC001210526687	837296558	/nfs/dbraw/zinc/29/65/58/837296558.db2.gz	COFHIBXPXGSEQA-UHFFFAOYSA-N	-1	1	338.305	-0.725	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1	ZINC001325898265	839970235	/nfs/dbraw/zinc/97/02/35/839970235.db2.gz	HWMBQZQDVBHJMJ-MCIONIFRSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001334397580	842048369	/nfs/dbraw/zinc/04/83/69/842048369.db2.gz	AGNTYILKKQTTFU-QWRGUYRKSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(Cc2nnn[n-]2)n1C[C@@H]1CCOC1	ZINC001345351053	843389194	/nfs/dbraw/zinc/38/91/94/843389194.db2.gz	ZYRMCLHRICUAEU-ZDUSSCGKSA-N	-1	1	340.391	-0.119	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(Cc2nn[n-]n2)n1C[C@@H]1CCOC1	ZINC001345351053	843389199	/nfs/dbraw/zinc/38/91/99/843389199.db2.gz	ZYRMCLHRICUAEU-ZDUSSCGKSA-N	-1	1	340.391	-0.119	20	30		EBEDMM
C#CCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O	ZINC001573283342	946711940	/nfs/dbraw/zinc/71/19/40/946711940.db2.gz	HQYWYDPBEZFCRQ-GHMZBOCLSA-N	-1	1	342.363	-0.874	20	30		EBEDMM
C#CCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O	ZINC001573283342	946711945	/nfs/dbraw/zinc/71/19/45/946711945.db2.gz	HQYWYDPBEZFCRQ-GHMZBOCLSA-N	-1	1	342.363	-0.874	20	30		EBEDMM
C#CCOCCC(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1	ZINC001573287646	946844059	/nfs/dbraw/zinc/84/40/59/946844059.db2.gz	OWVKUYDACSICBZ-UHFFFAOYSA-N	-1	1	344.379	-0.125	20	30		EBEDMM
C#CCOCCC(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1	ZINC001573287646	946844064	/nfs/dbraw/zinc/84/40/64/946844064.db2.gz	OWVKUYDACSICBZ-UHFFFAOYSA-N	-1	1	344.379	-0.125	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560833	946958473	/nfs/dbraw/zinc/95/84/73/946958473.db2.gz	HAWMSEURVPVMEP-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560833	946958478	/nfs/dbraw/zinc/95/84/78/946958478.db2.gz	HAWMSEURVPVMEP-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573562999	946980554	/nfs/dbraw/zinc/98/05/54/946980554.db2.gz	YQJXUMAZGHLIHC-JTQLQIEISA-N	-1	1	345.367	-0.297	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573562999	946980561	/nfs/dbraw/zinc/98/05/61/946980561.db2.gz	YQJXUMAZGHLIHC-JTQLQIEISA-N	-1	1	345.367	-0.297	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566341	947025428	/nfs/dbraw/zinc/02/54/28/947025428.db2.gz	BJYNQRKLQSLYJL-GHMZBOCLSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573567270	947041906	/nfs/dbraw/zinc/04/19/06/947041906.db2.gz	KYVJUBPRKLUHTC-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573567722	947054860	/nfs/dbraw/zinc/05/48/60/947054860.db2.gz	RHQZHQCNRMYHNH-NXEZZACHSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573571085	947099864	/nfs/dbraw/zinc/09/98/64/947099864.db2.gz	YZBDOZJPLALXOM-PSLIRLAXSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573572337	947111425	/nfs/dbraw/zinc/11/14/25/947111425.db2.gz	GYWFNKFHYWGUEE-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573572337	947111429	/nfs/dbraw/zinc/11/14/29/947111429.db2.gz	GYWFNKFHYWGUEE-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573573469	947121113	/nfs/dbraw/zinc/12/11/13/947121113.db2.gz	NPPDSERICSPPQD-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573573469	947121117	/nfs/dbraw/zinc/12/11/17/947121117.db2.gz	NPPDSERICSPPQD-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573576996	947157793	/nfs/dbraw/zinc/15/77/93/947157793.db2.gz	KRYLEGZPFQISBI-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573576996	947157799	/nfs/dbraw/zinc/15/77/99/947157799.db2.gz	KRYLEGZPFQISBI-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573307117	947177812	/nfs/dbraw/zinc/17/78/12/947177812.db2.gz	PCERZPQCZXNPMV-BONVTDFDSA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573582324	947189727	/nfs/dbraw/zinc/18/97/27/947189727.db2.gz	CVRNUDCFYYNKGN-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584967	947240070	/nfs/dbraw/zinc/24/00/70/947240070.db2.gz	IEYLDVXVWPBXPN-OUAUKWLOSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C	ZINC001573585334	947252761	/nfs/dbraw/zinc/25/27/61/947252761.db2.gz	OTLGGHKIXKAKMV-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC001573585334	947252770	/nfs/dbraw/zinc/25/27/70/947252770.db2.gz	OTLGGHKIXKAKMV-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C	ZINC001573586045	947274841	/nfs/dbraw/zinc/27/48/41/947274841.db2.gz	XZMYVKYCICGRGT-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C	ZINC001573586045	947274853	/nfs/dbraw/zinc/27/48/53/947274853.db2.gz	XZMYVKYCICGRGT-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573586786	947293571	/nfs/dbraw/zinc/29/35/71/947293571.db2.gz	SYWUODVNMOHPAN-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573586786	947293581	/nfs/dbraw/zinc/29/35/81/947293581.db2.gz	SYWUODVNMOHPAN-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1	ZINC001573654459	947965860	/nfs/dbraw/zinc/96/58/60/947965860.db2.gz	RDBPHSHISSLSSB-RITPCOANSA-N	-1	1	329.246	-0.020	20	30		EBEDMM
C[S@@](=N)(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001570935382	948980055	/nfs/dbraw/zinc/98/00/55/948980055.db2.gz	RUWUSRRHTXNTCU-QHCPKHFHSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
CN(C)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001570939680	949153445	/nfs/dbraw/zinc/15/34/45/949153445.db2.gz	FUBZIPLRFYXKBA-VIFPVBQESA-N	-1	1	342.367	-0.280	20	30		EBEDMM
CN(C)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001570939680	949153452	/nfs/dbraw/zinc/15/34/52/949153452.db2.gz	FUBZIPLRFYXKBA-VIFPVBQESA-N	-1	1	342.367	-0.280	20	30		EBEDMM
CC(C)(C)C#CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573793543	949302622	/nfs/dbraw/zinc/30/26/22/949302622.db2.gz	UFPFLLRALKDNLM-SNVBAGLBSA-N	-1	1	344.379	-0.405	20	30		EBEDMM
CC(C)(C)C#CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573793543	949302647	/nfs/dbraw/zinc/30/26/47/949302647.db2.gz	UFPFLLRALKDNLM-SNVBAGLBSA-N	-1	1	344.379	-0.405	20	30		EBEDMM
COC[C@@]1(C(=O)[O-])CN(C[C@H](O)CC2(C#N)CCOCC2)CCO1	ZINC001593986161	956783419	/nfs/dbraw/zinc/78/34/19/956783419.db2.gz	OUHRTZPSBGNALL-CZUORRHYSA-N	-1	1	342.392	-0.140	20	30		EBEDMM
COC[C@]1(C(=O)[O-])CN(C[C@H](O)CC2(C#N)CCOCC2)CCO1	ZINC001593986160	956783731	/nfs/dbraw/zinc/78/37/31/956783731.db2.gz	OUHRTZPSBGNALL-CJNGLKHVSA-N	-1	1	342.392	-0.140	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H](CCF)C(=O)[O-])c1ccn[nH]1	ZINC001596629264	984611538	/nfs/dbraw/zinc/61/15/38/984611538.db2.gz	QNHGTRYAZURLIL-SECBINFHSA-N	-1	1	344.299	-0.378	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)nc1	ZINC001481193786	1125936657	/nfs/dbraw/zinc/93/66/57/1125936657.db2.gz	IBSSPKCVOQDBJD-UHFFFAOYSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001484159403	1126510075	/nfs/dbraw/zinc/51/00/75/1126510075.db2.gz	TUOIEFRHAKOMHN-DYVFJYSZSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1	ZINC001484935975	1126653646	/nfs/dbraw/zinc/65/36/46/1126653646.db2.gz	DDWVVZXUMGWNIW-LLVKDONJSA-N	-1	1	349.391	-0.237	20	30		EBEDMM
CC(C)C#CC(=O)N(C)[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001486928377	1127340266	/nfs/dbraw/zinc/34/02/66/1127340266.db2.gz	DKHDSYOUBIXDOG-ZDUSSCGKSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
COCCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1nc(=O)n(C)[n-]1	ZINC001411226924	1128098125	/nfs/dbraw/zinc/09/81/25/1128098125.db2.gz	SOVQVOXEZSEPNB-UHFFFAOYSA-N	-1	1	347.379	-0.813	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001487728758	1128406860	/nfs/dbraw/zinc/40/68/60/1128406860.db2.gz	RDCWEVHRSYIXDS-GFCCVEGCSA-N	-1	1	336.392	-0.144	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C	ZINC001488145377	1128634243	/nfs/dbraw/zinc/63/42/43/1128634243.db2.gz	SDYQEEVERDVXBX-QWHCGFSZSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
N#Cc1ncn(CC[N-]S(=O)(=O)c2nc[nH]c2Br)n1	ZINC001413348223	1130035598	/nfs/dbraw/zinc/03/55/98/1130035598.db2.gz	QKAHOMMBOZKUKF-UHFFFAOYSA-N	-1	1	346.170	-0.386	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1	ZINC001491208514	1130359169	/nfs/dbraw/zinc/35/91/69/1130359169.db2.gz	RQIRQVJQOVGRMC-BLLLJJGKSA-N	-1	1	337.424	-0.094	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001491306594	1130393668	/nfs/dbraw/zinc/39/36/68/1130393668.db2.gz	ZNRAJZOXAOXGLB-JTQLQIEISA-N	-1	1	332.360	-0.056	20	30		EBEDMM
C[C@@H](O)CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)C1	ZINC001362409576	1131577732	/nfs/dbraw/zinc/57/77/32/1131577732.db2.gz	RZIOLSZFAQVZOH-NWDGAFQWSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
CN(CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCSC1	ZINC001362690371	1131642559	/nfs/dbraw/zinc/64/25/59/1131642559.db2.gz	SNLRHYQRIFYOJB-LLVKDONJSA-N	-1	1	337.405	-0.626	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)N1CCO	ZINC001362964159	1131726696	/nfs/dbraw/zinc/72/66/96/1131726696.db2.gz	CSMCWUTURUVZNT-TXEJJXNPSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
N#Cc1cn(CC(=O)N[C@H]2CCCN3CCSC[C@H]23)c(=O)[n-]c1=O	ZINC001363603228	1132030143	/nfs/dbraw/zinc/03/01/43/1132030143.db2.gz	LBBKRIRDQQTFON-NWDGAFQWSA-N	-1	1	349.416	-0.483	20	30		EBEDMM
Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC001364069465	1132195040	/nfs/dbraw/zinc/19/50/40/1132195040.db2.gz	HVYAZGXVDUIVCN-NSHDSACASA-N	-1	1	325.325	-0.162	20	30		EBEDMM
N#Cc1c[n-]n2c1nc(CN1CCC(C(=O)NCCO)CC1)cc2=O	ZINC001364481989	1132334621	/nfs/dbraw/zinc/33/46/21/1132334621.db2.gz	UDBRKRAAYXCWBI-UHFFFAOYSA-N	-1	1	344.375	-0.373	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(=O)n(C)c1=O	ZINC000056078257	379864933	/nfs/dbraw/zinc/86/49/33/379864933.db2.gz	NPQRXHBQURPGHA-UHFFFAOYSA-N	-1	1	334.357	-0.566	20	30		EBEDMM
C=CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000357278761	380215892	/nfs/dbraw/zinc/21/58/92/380215892.db2.gz	DKWGLMCGXWPIBP-UHFFFAOYSA-N	-1	1	347.418	-0.308	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000292988334	380494281	/nfs/dbraw/zinc/49/42/81/380494281.db2.gz	FUSYVJOAKSDDQM-UWVGGRQHSA-N	-1	1	328.398	-0.386	20	30		EBEDMM
COC(=O)C[N@H+]1CCC[C@H](C/N=C(/[O-])c2cnc([O-])n(C)c2=O)C1	ZINC000330599102	380830888	/nfs/dbraw/zinc/83/08/88/380830888.db2.gz	GEGHJARDERPUGY-SNVBAGLBSA-N	-1	1	338.364	-0.325	20	30		EBEDMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)o1	ZINC000352641314	381236210	/nfs/dbraw/zinc/23/62/10/381236210.db2.gz	XIBCDWWIKUJOCT-UHFFFAOYSA-N	-1	1	339.333	-0.102	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(=O)n(C)c1=O	ZINC000443227867	382132747	/nfs/dbraw/zinc/13/27/47/382132747.db2.gz	QFSLXEBEISDBIR-UHFFFAOYSA-N	-1	1	340.405	-0.308	20	30		EBEDMM
Cn1nnc2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)ccc21	ZINC000737626765	583023343	/nfs/dbraw/zinc/02/33/43/583023343.db2.gz	KRPFRUIHACLVQL-UHFFFAOYSA-N	-1	1	335.291	-0.005	20	30		EBEDMM
CC(CCN1C(=O)c2ccccc2C1=O)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765595207	583284739	/nfs/dbraw/zinc/28/47/39/583284739.db2.gz	HEDVFYLODVUJMK-UHFFFAOYSA-N	-1	1	327.300	-0.349	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000783616756	583480212	/nfs/dbraw/zinc/48/02/12/583480212.db2.gz	RALVGLSPHSEKIA-UHFFFAOYSA-N	-1	1	336.391	-0.482	20	30		EBEDMM
NS(=O)(=O)c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1	ZINC000811641982	583692338	/nfs/dbraw/zinc/69/23/38/583692338.db2.gz	DGISONBFCWLFQC-UHFFFAOYSA-N	-1	1	333.333	-0.475	20	30		EBEDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1	ZINC000822608360	583813752	/nfs/dbraw/zinc/81/37/52/583813752.db2.gz	DHUASFFKVZWFNG-JTQLQIEISA-N	-1	1	342.367	-0.196	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1	ZINC000822608360	583813754	/nfs/dbraw/zinc/81/37/54/583813754.db2.gz	DHUASFFKVZWFNG-JTQLQIEISA-N	-1	1	342.367	-0.196	20	30		EBEDMM
Cn1ncc2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cnc21	ZINC000822709122	583816597	/nfs/dbraw/zinc/81/65/97/583816597.db2.gz	GYFFDSDZLJNLFN-UHFFFAOYSA-N	-1	1	335.291	-0.005	20	30		EBEDMM
C#CCOCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823856075	583838164	/nfs/dbraw/zinc/83/81/64/583838164.db2.gz	HCQARSKSNSADKI-UHFFFAOYSA-N	-1	1	325.325	-0.066	20	30		EBEDMM
C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCSCC1	ZINC000824052027	583840708	/nfs/dbraw/zinc/84/07/08/583840708.db2.gz	KKOKAMGSIDKFBQ-ZETCQYMHSA-N	-1	1	333.381	-0.163	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CCNS(=O)(=O)c1ccccc1	ZINC000826383006	583895768	/nfs/dbraw/zinc/89/57/68/583895768.db2.gz	FXZHZSXTIDYRSO-UHFFFAOYSA-N	-1	1	344.360	-0.087	20	30		EBEDMM
C=CCC[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)OCC	ZINC000832549319	583998791	/nfs/dbraw/zinc/99/87/91/583998791.db2.gz	AXTIOYTXCSGDFC-JTQLQIEISA-N	-1	1	327.424	-0.152	20	30		EBEDMM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC(=O)NCC#N	ZINC000847371911	584137801	/nfs/dbraw/zinc/13/78/01/584137801.db2.gz	VPFZNZKNWLCCPX-RKDXNWHRSA-N	-1	1	349.313	-0.133	20	30		EBEDMM
O=C1N=C(N=NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[N-]C1=O	ZINC000853326450	584226361	/nfs/dbraw/zinc/22/63/61/584226361.db2.gz	ZZZMUQWZGZVBFL-UHFFFAOYSA-N	-1	1	331.292	-0.452	20	30		EBEDMM
C=CCN1CC(N2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2)C1	ZINC000941639283	652849469	/nfs/dbraw/zinc/84/94/69/652849469.db2.gz	OWWNGJSRCTUSFL-UHFFFAOYSA-N	-1	1	349.391	-0.476	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1	ZINC000941665915	652868413	/nfs/dbraw/zinc/86/84/13/652868413.db2.gz	SFAUPPORRZFLNF-VIFPVBQESA-N	-1	1	349.347	-0.269	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000941929692	652954136	/nfs/dbraw/zinc/95/41/36/652954136.db2.gz	OTUCVASLFHKVNM-PWSUYJOCSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000941965514	653008754	/nfs/dbraw/zinc/00/87/54/653008754.db2.gz	YNHOBPOMEURLJQ-MFKMUULPSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1	ZINC000948098587	653522727	/nfs/dbraw/zinc/52/27/27/653522727.db2.gz	IQHBSBQOXUVGSM-MRVPVSSYSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N	ZINC000951222395	654423753	/nfs/dbraw/zinc/42/37/53/654423753.db2.gz	LEVOLIMQNLZTDA-HTQZYQBOSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000965850757	724532261	/nfs/dbraw/zinc/53/22/61/724532261.db2.gz	FWKDXIHHLSPGST-MFKMUULPSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000957219569	722176332	/nfs/dbraw/zinc/17/63/32/722176332.db2.gz	IIPBZWHDBKEYJA-PSLIRLAXSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ncccc3[O-])C2)CC1	ZINC000967242786	724850984	/nfs/dbraw/zinc/85/09/84/724850984.db2.gz	CKSYAFGLSRPZCC-GFCCVEGCSA-N	-1	1	343.387	-0.085	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000971365535	725360709	/nfs/dbraw/zinc/36/07/09/725360709.db2.gz	DXATZPPKQXYGRI-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000972501737	725536755	/nfs/dbraw/zinc/53/67/55/725536755.db2.gz	QLACSIBDOFIVPB-NSHDSACASA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC000972755898	725590529	/nfs/dbraw/zinc/59/05/29/725590529.db2.gz	HTTPKSILULBHAM-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000994749735	726071653	/nfs/dbraw/zinc/07/16/53/726071653.db2.gz	CZMONNOADGWACC-ZDUSSCGKSA-N	-1	1	328.372	-0.175	20	30		EBEDMM
Cn1[n-]c(CN2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O	ZINC001000587850	726572227	/nfs/dbraw/zinc/57/22/27/726572227.db2.gz	LHWOOMIJFGAVTG-UHFFFAOYSA-N	-1	1	341.375	-0.130	20	30		EBEDMM
Cn1[n-]c(CN2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O	ZINC001000595847	726572291	/nfs/dbraw/zinc/57/22/91/726572291.db2.gz	JXVWTVPFPWMMIR-UHFFFAOYSA-N	-1	1	341.375	-0.130	20	30		EBEDMM
C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC001006467556	726770432	/nfs/dbraw/zinc/77/04/32/726770432.db2.gz	LDBGMHFSVDURBX-DTWKUNHWSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032409900	730855003	/nfs/dbraw/zinc/85/50/03/730855003.db2.gz	FODULURIBXLGJR-FQUUOJAGSA-N	-1	1	347.419	-0.125	20	30		EBEDMM
C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001032686157	730911091	/nfs/dbraw/zinc/91/10/91/730911091.db2.gz	FXSDQQALHZHPCU-RYUDHWBXSA-N	-1	1	338.795	-0.036	20	30		EBEDMM
CC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@H]1NCC#N	ZINC001037965366	731275353	/nfs/dbraw/zinc/27/53/53/731275353.db2.gz	JYBPNWBLWBNDLA-GHMZBOCLSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042719435	732550148	/nfs/dbraw/zinc/55/01/48/732550148.db2.gz	CMCARZMQZZTZCI-NSHDSACASA-N	-1	1	335.360	-0.319	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001046253430	733896238	/nfs/dbraw/zinc/89/62/38/733896238.db2.gz	YNDGNGNJASABPQ-HNNXBMFYSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001046606876	733979524	/nfs/dbraw/zinc/97/95/24/733979524.db2.gz	KQYXDQGUMJPMHG-KRWDZBQOSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001046782522	734026884	/nfs/dbraw/zinc/02/68/84/734026884.db2.gz	ASHWGYNHLVOBQY-QGZVFWFLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001049845398	734798249	/nfs/dbraw/zinc/79/82/49/734798249.db2.gz	ABQQOMOVQMBDDV-VXGBXAGGSA-N	-1	1	327.348	-0.380	20	30		EBEDMM
C=C(C)CN1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051206786	735098984	/nfs/dbraw/zinc/09/89/84/735098984.db2.gz	NFMISHOGLMMWBI-JTQLQIEISA-N	-1	1	338.364	-0.097	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001051554436	735229695	/nfs/dbraw/zinc/22/96/95/735229695.db2.gz	FWBHTEUJHPCRLB-JTQLQIEISA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C=CCN1CC2(C1)CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCO2	ZINC001053507036	735908951	/nfs/dbraw/zinc/90/89/51/735908951.db2.gz	AIQJCSQOALNASM-UHFFFAOYSA-N	-1	1	336.348	-0.391	20	30		EBEDMM
C=CCCN1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2	ZINC001053627050	735949211	/nfs/dbraw/zinc/94/92/11/735949211.db2.gz	LVNZCKQWFKYLKZ-SNVBAGLBSA-N	-1	1	335.364	-0.178	20	30		EBEDMM
C#CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)n3[n-]cnc3n1)O2	ZINC001053686511	735967835	/nfs/dbraw/zinc/96/78/35/735967835.db2.gz	RLIGJPBXWFLJIH-NSHDSACASA-N	-1	1	342.359	-0.986	20	30		EBEDMM
N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2ncccc2[O-])[nH]1	ZINC001057366828	737192381	/nfs/dbraw/zinc/19/23/81/737192381.db2.gz	GZMVKAKYOLPIRM-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3ncccc3[O-])C2)cn1	ZINC001067665170	740177738	/nfs/dbraw/zinc/17/77/38/740177738.db2.gz	KMIITRQXJPJHFF-MFKMUULPSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001067665478	740178097	/nfs/dbraw/zinc/17/80/97/740178097.db2.gz	OQAKJKWPFVZATR-GXFFZTMASA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001070476346	740841703	/nfs/dbraw/zinc/84/17/03/740841703.db2.gz	IJPHLAJIJSQLQZ-JBLDHEPKSA-N	-1	1	344.379	-0.512	20	30		EBEDMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nc1=O	ZINC001072639791	741449329	/nfs/dbraw/zinc/44/93/29/741449329.db2.gz	KYCGKIDQYUJYPW-UHFFFAOYSA-N	-1	1	341.375	-0.344	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1	ZINC000979284011	805261723	/nfs/dbraw/zinc/26/17/23/805261723.db2.gz	APNFHBJCNZKLTP-JOYOIKCWSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1	ZINC000979299177	805274944	/nfs/dbraw/zinc/27/49/44/805274944.db2.gz	YNZVPPLPIVCXGA-JOYOIKCWSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=CCOCC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222448157	811630772	/nfs/dbraw/zinc/63/07/72/811630772.db2.gz	MIQOJTRTZCLLQO-OLZOCXBDSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC001080100255	811898118	/nfs/dbraw/zinc/89/81/18/811898118.db2.gz	SYVLWGFUIHFLMS-NSHDSACASA-N	-1	1	347.375	-0.854	20	30		EBEDMM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1nc(=O)[nH]c(=O)[n-]1	ZINC001227565871	811927916	/nfs/dbraw/zinc/92/79/16/811927916.db2.gz	CPSYSZKGEMJCAG-MRVPVSSYSA-N	-1	1	325.277	-0.121	20	30		EBEDMM
C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081346508	812775456	/nfs/dbraw/zinc/77/54/56/812775456.db2.gz	IYJWTVSXFJRGFI-WCQYABFASA-N	-1	1	335.360	-0.461	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081428527	812922554	/nfs/dbraw/zinc/92/25/54/812922554.db2.gz	RMIAEBBFONCPSU-OCCSQVGLSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
COCC#CCN1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C	ZINC001264709305	813202383	/nfs/dbraw/zinc/20/23/83/813202383.db2.gz	PBNUCMOELWWKQM-NEPJUHHUSA-N	-1	1	349.391	-0.556	20	30		EBEDMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCCN(CC#N)C1	ZINC001265707979	813362740	/nfs/dbraw/zinc/36/27/40/813362740.db2.gz	HZDZIJDSAYUAFM-STQMWFEESA-N	-1	1	333.392	-0.333	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001266747373	813659294	/nfs/dbraw/zinc/65/92/94/813659294.db2.gz	QKMZTYCHBPEMFE-LBPRGKRZSA-N	-1	1	331.376	-0.131	20	30		EBEDMM
C#CCCN1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1	ZINC001083129334	814150165	/nfs/dbraw/zinc/15/01/65/814150165.db2.gz	GDYYXCGUWMOSTQ-QWHCGFSZSA-N	-1	1	347.375	-0.850	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)c1	ZINC001268747344	814374534	/nfs/dbraw/zinc/37/45/34/814374534.db2.gz	RAVKSSSKFQNFNC-NSHDSACASA-N	-1	1	328.376	-0.265	20	30		EBEDMM
C=CCN1CC[C@@H](N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1=O	ZINC001083423093	814403244	/nfs/dbraw/zinc/40/32/44/814403244.db2.gz	DPCFVKRMWISGIR-BZPMIXESSA-N	-1	1	346.387	-0.651	20	30		EBEDMM
N#CC1(NC(=O)[C@@H]2CCC3(CN(C(=O)Cc4nn[n-]n4)C3)O2)CCC1	ZINC001270789713	815893815	/nfs/dbraw/zinc/89/38/15/815893815.db2.gz	VLKVBSYRXKJROG-JTQLQIEISA-N	-1	1	345.363	-0.935	20	30		EBEDMM
C#CCN1C[C@]2(CCN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)OCC1=O	ZINC001271555699	816141305	/nfs/dbraw/zinc/14/13/05/816141305.db2.gz	DXUMAYZSIHOQEP-HNNXBMFYSA-N	-1	1	348.384	-0.452	20	30		EBEDMM
N#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001272071520	816310449	/nfs/dbraw/zinc/31/04/49/816310449.db2.gz	IXXGWLNORDRWMY-QWHCGFSZSA-N	-1	1	343.387	-0.037	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@H](C)N(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001275828230	817299886	/nfs/dbraw/zinc/29/98/86/817299886.db2.gz	VNTPKFNRDGMAEO-CYBMUJFWSA-N	-1	1	345.403	-0.001	20	30		EBEDMM
C=C1CCC(C(=O)NC2(CCO)CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001276083023	817355339	/nfs/dbraw/zinc/35/53/39/817355339.db2.gz	PRGPZOMMYQYKTA-UHFFFAOYSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1cnc(C#N)cn1	ZINC001093761131	818097631	/nfs/dbraw/zinc/09/76/31/818097631.db2.gz	RRTGIWYPGHZVQM-UHFFFAOYSA-N	-1	1	331.292	-0.600	20	30		EBEDMM
N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001095036737	818551463	/nfs/dbraw/zinc/55/14/63/818551463.db2.gz	HAUULQXJFJZPJN-DCAQKATOSA-N	-1	1	327.348	-0.476	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)nc1=O	ZINC001095328116	818601632	/nfs/dbraw/zinc/60/16/32/818601632.db2.gz	VNNTTZBGMRDKSP-WXHSDQCUSA-N	-1	1	341.375	-0.157	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1ccc(C#N)nn1	ZINC001097952123	819062775	/nfs/dbraw/zinc/06/27/75/819062775.db2.gz	MFELQZQIWPFKKX-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001284742390	819343901	/nfs/dbraw/zinc/34/39/01/819343901.db2.gz	JIPKEVYXVRXEQI-NSHDSACASA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1	ZINC001099999527	820007765	/nfs/dbraw/zinc/00/77/65/820007765.db2.gz	YUTGPLAQDRGANL-OLZOCXBDSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001289467255	820388021	/nfs/dbraw/zinc/38/80/21/820388021.db2.gz	QBNRTVYRUTYHTE-OUCADQQQSA-N	-1	1	347.371	-0.219	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001295597290	821133066	/nfs/dbraw/zinc/13/30/66/821133066.db2.gz	RPRFRGADMFXYIT-VIFPVBQESA-N	-1	1	332.364	-0.136	20	30		EBEDMM
C=CCCC(=O)NC[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001295732295	821162346	/nfs/dbraw/zinc/16/23/46/821162346.db2.gz	OLHMHQXXZKHWHC-CYBMUJFWSA-N	-1	1	348.403	-0.142	20	30		EBEDMM
C=CCCC(=O)NCc1cn(C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001107142354	823748689	/nfs/dbraw/zinc/74/86/89/823748689.db2.gz	CLMKIUKWHZIHGD-UHFFFAOYSA-N	-1	1	346.395	-0.661	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1ccncc1C#N	ZINC001107855955	824001317	/nfs/dbraw/zinc/00/13/17/824001317.db2.gz	XNKUEPQUJFMXHP-MRVPVSSYSA-N	-1	1	344.331	-0.185	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109266788	824514767	/nfs/dbraw/zinc/51/47/67/824514767.db2.gz	FSTKYZWLRLJTCP-NDBYEHHHSA-N	-1	1	333.392	-0.632	20	30		EBEDMM
CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2	ZINC001109484301	824550757	/nfs/dbraw/zinc/55/07/57/824550757.db2.gz	OSVRPUCSMFZQNV-WXHSDQCUSA-N	-1	1	331.376	-0.040	20	30		EBEDMM
C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113161559	825779673	/nfs/dbraw/zinc/77/96/73/825779673.db2.gz	DKHZZEJANIHTIQ-INIZCTEOSA-N	-1	1	337.424	-0.019	20	30		EBEDMM
O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21	ZINC001114253365	826184575	/nfs/dbraw/zinc/18/45/75/826184575.db2.gz	MTARTQZQIKJJJS-UOIKSKOESA-N	-1	1	337.383	-0.018	20	30		EBEDMM
COc1ccc(C(=O)NCC(=O)N([O-])C(=N)c2nonc2N)cc1	ZINC001180805426	833111640	/nfs/dbraw/zinc/11/16/40/833111640.db2.gz	NIQDOJACXNLXSD-UHFFFAOYSA-N	-1	1	334.292	-0.366	20	30		EBEDMM
CCc1nc(CC(=O)NC[C@H](CO)N=c2cc[n-]c(C#N)n2)cs1	ZINC001121649195	827416119	/nfs/dbraw/zinc/41/61/19/827416119.db2.gz	DVQHITJYWXJMBZ-LLVKDONJSA-N	-1	1	346.416	-0.079	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1	ZINC001123838369	827732669	/nfs/dbraw/zinc/73/26/69/827732669.db2.gz	SWEJGTWBDAKWPF-UHFFFAOYSA-N	-1	1	349.416	-0.713	20	30		EBEDMM
CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ncccc1[O-]	ZINC001124329488	827816127	/nfs/dbraw/zinc/81/61/27/827816127.db2.gz	KIHHAFYINIEGGQ-SNVBAGLBSA-N	-1	1	328.332	-0.006	20	30		EBEDMM
C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@]1(C)CNCC#N	ZINC001183152151	833282180	/nfs/dbraw/zinc/28/21/80/833282180.db2.gz	HHZWACJGQKSLEH-MEBBXXQBSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@H]1CNCC#N	ZINC001185318204	833355318	/nfs/dbraw/zinc/35/53/18/833355318.db2.gz	VBDCWCKJPAJSSE-OLZOCXBDSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
Cc1ncc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])[nH]1	ZINC001146878526	830234800	/nfs/dbraw/zinc/23/48/00/830234800.db2.gz	XKOFYRWAEJMHIX-SECBINFHSA-N	-1	1	338.326	-0.126	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001147346567	830325362	/nfs/dbraw/zinc/32/53/62/830325362.db2.gz	UHFXGJWXNJLIAQ-GFCCVEGCSA-N	-1	1	345.403	-0.290	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001211683617	837452903	/nfs/dbraw/zinc/45/29/03/837452903.db2.gz	LFSYUHIZVVWUAD-KOLCDFICSA-N	-1	1	329.378	-0.255	20	30		EBEDMM
N#Cc1ccc2[n-]c(C(=O)N3CCO[C@@H](C(N)=O)C3)cc(=O)c2c1	ZINC001154556705	831347445	/nfs/dbraw/zinc/34/74/45/831347445.db2.gz	QJFSWLBFWXGNDJ-CQSZACIVSA-N	-1	1	326.312	-0.274	20	30		EBEDMM
COCC#CCN1CC=C(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001160617194	831871527	/nfs/dbraw/zinc/87/15/27/831871527.db2.gz	GPJARNGAYXCQPV-UHFFFAOYSA-N	-1	1	347.375	-0.315	20	30		EBEDMM
CCN(CCNC(=O)C#CC1CC1)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001356044414	832596165	/nfs/dbraw/zinc/59/61/65/832596165.db2.gz	RBMYBGIEMDPIQU-UHFFFAOYSA-N	-1	1	348.359	-0.112	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)C1CCN(c2ncccn2)CC1	ZINC001177121107	832756641	/nfs/dbraw/zinc/75/66/41/832756641.db2.gz	OLPZOIXEYHETHX-UHFFFAOYSA-N	-1	1	332.324	-0.098	20	30		EBEDMM
C[C@H]1[C@H](NC(=O)C(C#N)Cc2cccs2)C(=O)N1S(=O)(=O)[O-]	ZINC001177916779	832809479	/nfs/dbraw/zinc/80/94/79/832809479.db2.gz	ZWULREKQIWKRSL-NRPADANISA-N	-1	1	343.386	-0.051	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001189672795	834177742	/nfs/dbraw/zinc/17/77/42/834177742.db2.gz	FUVAGCFHGRPRBT-NEPJUHHUSA-N	-1	1	333.392	-0.292	20	30		EBEDMM
COC(=O)[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)CC#N	ZINC001192988072	834778224	/nfs/dbraw/zinc/77/82/24/834778224.db2.gz	JKMBLOOLLULUKH-VIFPVBQESA-N	-1	1	335.382	-0.114	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1ccncc1N1CCOCC1	ZINC001198200259	835652411	/nfs/dbraw/zinc/65/24/11/835652411.db2.gz	HFMIROPYDPQJSL-UHFFFAOYSA-N	-1	1	333.308	-0.260	20	30		EBEDMM
N#CCSCC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001199912972	835874338	/nfs/dbraw/zinc/87/43/38/835874338.db2.gz	IANLAIARTVKEFP-JTQLQIEISA-N	-1	1	340.409	-0.526	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCO[C@H](CNCC#N)C1	ZINC001201849329	836202730	/nfs/dbraw/zinc/20/27/30/836202730.db2.gz	VPYGDKKAZOWYRD-SECBINFHSA-N	-1	1	337.336	-0.759	20	30		EBEDMM
N#CCNC(=O)CN1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2	ZINC001319398097	838124286	/nfs/dbraw/zinc/12/42/86/838124286.db2.gz	LFIJGBINNRKFPN-UHFFFAOYSA-N	-1	1	343.387	-0.035	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001323316681	839411611	/nfs/dbraw/zinc/41/16/11/839411611.db2.gz	AZKDIGMAQKOTRI-LBPRGKRZSA-N	-1	1	343.387	-0.387	20	30		EBEDMM
C#CCCCCC(=O)N1CCOC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001327319627	840365597	/nfs/dbraw/zinc/36/55/97/840365597.db2.gz	JTOVRWFAWWTIMC-UHFFFAOYSA-N	-1	1	347.419	-0.285	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001338616557	842847645	/nfs/dbraw/zinc/84/76/45/842847645.db2.gz	YTPAEJQUOBMCSJ-BZPMIXESSA-N	-1	1	349.387	-0.073	20	30		EBEDMM
CC(=O)N[C@](C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C(C)C	ZINC001573455577	945883872	/nfs/dbraw/zinc/88/38/72/945883872.db2.gz	FGRPEVNXMSNIGL-ZDUSSCGKSA-N	-1	1	331.340	-0.049	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573288021	946853032	/nfs/dbraw/zinc/85/30/32/946853032.db2.gz	RLVJJTMVSWCTQI-LLVKDONJSA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573288021	946853042	/nfs/dbraw/zinc/85/30/42/946853042.db2.gz	RLVJJTMVSWCTQI-LLVKDONJSA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573288158	946858041	/nfs/dbraw/zinc/85/80/41/946858041.db2.gz	SCTKRAWJYYVLJJ-ZJUUUORDSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nc1	ZINC001573288725	946876475	/nfs/dbraw/zinc/87/64/75/946876475.db2.gz	SRVKUYIEOMSLRK-JTQLQIEISA-N	-1	1	349.358	-0.315	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573289023	946882852	/nfs/dbraw/zinc/88/28/52/946882852.db2.gz	ZTZPADFVEZKQOK-NSHDSACASA-N	-1	1	342.363	-0.291	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573289023	946882862	/nfs/dbraw/zinc/88/28/62/946882862.db2.gz	ZTZPADFVEZKQOK-NSHDSACASA-N	-1	1	342.363	-0.291	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1	ZINC001573560378	946951912	/nfs/dbraw/zinc/95/19/12/946951912.db2.gz	BJCWKZCGLQCCIW-VHSXEESVSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573560972	946959251	/nfs/dbraw/zinc/95/92/51/946959251.db2.gz	IFSGKXLPKIMLMM-UWVGGRQHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573560972	946959258	/nfs/dbraw/zinc/95/92/58/946959258.db2.gz	IFSGKXLPKIMLMM-UWVGGRQHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573562982	946981908	/nfs/dbraw/zinc/98/19/08/946981908.db2.gz	YISJBJWEFVBDJY-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573562982	946981912	/nfs/dbraw/zinc/98/19/12/946981912.db2.gz	YISJBJWEFVBDJY-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1	ZINC001573563503	946984087	/nfs/dbraw/zinc/98/40/87/946984087.db2.gz	AHGNPWNSBIKKAJ-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1	ZINC001573563503	946984093	/nfs/dbraw/zinc/98/40/93/946984093.db2.gz	AHGNPWNSBIKKAJ-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1	ZINC001573570846	947093786	/nfs/dbraw/zinc/09/37/86/947093786.db2.gz	VJCIDPKDUOMNJS-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1	ZINC001573570846	947093797	/nfs/dbraw/zinc/09/37/97/947093797.db2.gz	VJCIDPKDUOMNJS-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1	ZINC001573570847	947094343	/nfs/dbraw/zinc/09/43/43/947094343.db2.gz	VJCIDPKDUOMNJS-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1	ZINC001573570847	947094353	/nfs/dbraw/zinc/09/43/53/947094353.db2.gz	VJCIDPKDUOMNJS-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571761	947101570	/nfs/dbraw/zinc/10/15/70/947101570.db2.gz	APPNETDTUXNKMR-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=CC(C)(C)CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573306610	947174343	/nfs/dbraw/zinc/17/43/43/947174343.db2.gz	LRMXFXSFLNLEAV-UHFFFAOYSA-N	-1	1	333.352	-0.153	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573309041	947188378	/nfs/dbraw/zinc/18/83/78/947188378.db2.gz	BWYGZPMLNMETOH-HNNXBMFYSA-N	-1	1	346.395	-0.122	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573309041	947188388	/nfs/dbraw/zinc/18/83/88/947188388.db2.gz	BWYGZPMLNMETOH-HNNXBMFYSA-N	-1	1	346.395	-0.122	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573582205	947188809	/nfs/dbraw/zinc/18/88/09/947188809.db2.gz	BZECEJKZAAXUNY-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573582205	947188816	/nfs/dbraw/zinc/18/88/16/947188816.db2.gz	BZECEJKZAAXUNY-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584853	947234325	/nfs/dbraw/zinc/23/43/25/947234325.db2.gz	AFWMGZVXNRLBHH-GUBZILKMSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573586927	947295984	/nfs/dbraw/zinc/29/59/84/947295984.db2.gz	UQMIDZLMGUHPHF-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573586927	947295995	/nfs/dbraw/zinc/29/59/95/947295995.db2.gz	UQMIDZLMGUHPHF-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
CC(=O)N(C)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001573383915	947900561	/nfs/dbraw/zinc/90/05/61/947900561.db2.gz	GISLWZZXBGLNKL-UHFFFAOYSA-N	-1	1	327.352	-0.025	20	30		EBEDMM
COC(=O)c1cnc(Cn2c(C)nc(-c3nn[n-]n3)c2C#N)cn1	ZINC001570922443	948642323	/nfs/dbraw/zinc/64/23/23/948642323.db2.gz	HBIIAWCIYBGFDY-UHFFFAOYSA-N	-1	1	325.292	-0.132	20	30		EBEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)[C@@H](C)S(C)(=O)=O	ZINC001573755717	948778907	/nfs/dbraw/zinc/77/89/07/948778907.db2.gz	SVNCXXDNEPXSDM-NTSWFWBYSA-N	-1	1	338.353	-0.531	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N1CCC[C@H]1C(=O)[O-])c1cc[nH]n1	ZINC001610330879	970724605	/nfs/dbraw/zinc/72/46/05/970724605.db2.gz	JUIBHKMUVHVAAI-JTQLQIEISA-N	-1	1	338.320	-0.231	20	30		EBEDMM
CN1CCN(CCN(CC(=O)[O-])S(=O)(=O)CCCC#N)CC1	ZINC001598617277	993910753	/nfs/dbraw/zinc/91/07/53/993910753.db2.gz	QLUIZNXEGWDNSF-UHFFFAOYSA-N	-1	1	332.426	-0.746	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001483069284	1126328801	/nfs/dbraw/zinc/32/88/01/1126328801.db2.gz	QKBUOASAPOTZJE-ZWYFHCDOSA-N	-1	1	335.408	-0.148	20	30		EBEDMM
C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001092198150	1128213998	/nfs/dbraw/zinc/21/39/98/1128213998.db2.gz	HOVMOODHMJTOOD-BMIGLBTASA-N	-1	1	327.348	-0.665	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001489342788	1128961886	/nfs/dbraw/zinc/96/18/86/1128961886.db2.gz	UCIAQMALQLKPGE-DGCLKSJQSA-N	-1	1	333.344	-0.871	20	30		EBEDMM
C#CCCCC(=O)N(C)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001358727916	1131266422	/nfs/dbraw/zinc/26/64/22/1131266422.db2.gz	ZRVQKHBHHQKJMM-UHFFFAOYSA-N	-1	1	346.387	-0.601	20	30		EBEDMM
CN(CC[N-]S(=O)(=O)c1ccc(C#N)o1)CCS(C)(=O)=O	ZINC001364064202	1132192579	/nfs/dbraw/zinc/19/25/79/1132192579.db2.gz	RBWFIBHDIUCFNT-UHFFFAOYSA-N	-1	1	335.407	-0.594	20	30		EBEDMM
C#CC[N@H+](C)CCCNS(=O)(=O)c1n[n-]cc1C(=O)OCC	ZINC000293935922	376439256	/nfs/dbraw/zinc/43/92/56/376439256.db2.gz	ZERVIYBPDNZSDJ-UHFFFAOYSA-N	-1	1	328.394	-0.180	20	30		EBEDMM
C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000182008809	377489527	/nfs/dbraw/zinc/48/95/27/377489527.db2.gz	GJVUOWRFESKWDD-HZMBPMFUSA-N	-1	1	340.405	-0.165	20	30		EBEDMM
C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2ncccc2[O-])C1=O	ZINC000337088517	378612083	/nfs/dbraw/zinc/61/20/83/378612083.db2.gz	HJEQKJRJPAZFIP-LLVKDONJSA-N	-1	1	332.360	-0.238	20	30		EBEDMM
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491615287	379605225	/nfs/dbraw/zinc/60/52/25/379605225.db2.gz	CFMHJJPMFXCCDQ-SNVBAGLBSA-N	-1	1	334.423	-0.175	20	30		EBEDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(=O)NCC#N	ZINC000344165442	381020441	/nfs/dbraw/zinc/02/04/41/381020441.db2.gz	RGNQCULMVIHVFX-UHFFFAOYSA-N	-1	1	330.348	-0.260	20	30		EBEDMM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nn[n-]n1	ZINC000610806883	381212089	/nfs/dbraw/zinc/21/20/89/381212089.db2.gz	IOFDQTADPIAWIN-MRVPVSSYSA-N	-1	1	335.349	-0.945	20	30		EBEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000272828891	381735174	/nfs/dbraw/zinc/73/51/74/381735174.db2.gz	KPTVQNQFUCPTHA-UHFFFAOYSA-N	-1	1	337.375	-0.055	20	30		EBEDMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C1=O	ZINC000330477497	155273875	/nfs/dbraw/zinc/27/38/75/155273875.db2.gz	LXHSCPVNIXATES-NSHDSACASA-N	-1	1	325.321	-0.126	20	30		EBEDMM
COC(=O)Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)o2)nn1	ZINC000344734497	156259328	/nfs/dbraw/zinc/25/93/28/156259328.db2.gz	XGYAOPHXGREHMC-UHFFFAOYSA-N	-1	1	325.306	-0.606	20	30		EBEDMM
N#Cc1ccc(NCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])nc1	ZINC000347712219	421211386	/nfs/dbraw/zinc/21/13/86/421211386.db2.gz	DSHQWCVQXRGQOC-UHFFFAOYSA-N	-1	1	347.356	0.357	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC000491645067	270005369	/nfs/dbraw/zinc/00/53/69/270005369.db2.gz	NEMFUBXYWQMHBJ-UHFFFAOYSA-N	-1	1	326.356	-0.229	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000733143088	582856021	/nfs/dbraw/zinc/85/60/21/582856021.db2.gz	AAAANUHLMVGLFO-ZDUSSCGKSA-N	-1	1	333.392	-0.381	20	30		EBEDMM
CNC(=O)CNC(=S)NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12	ZINC000765578149	583284351	/nfs/dbraw/zinc/28/43/51/583284351.db2.gz	XLEIBHQLKIOYSV-UHFFFAOYSA-N	-1	1	334.361	-0.195	20	30		EBEDMM
C=CCOCCOC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000815241600	583708002	/nfs/dbraw/zinc/70/80/02/583708002.db2.gz	WGQYUAXMKCWFNY-UHFFFAOYSA-N	-1	1	332.334	-0.597	20	30		EBEDMM
N#Cc1ccc(NCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1	ZINC000816492393	583717620	/nfs/dbraw/zinc/71/76/20/583717620.db2.gz	RJSJTLOHLJRAJN-UHFFFAOYSA-N	-1	1	327.348	-0.007	20	30		EBEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000819823148	583761852	/nfs/dbraw/zinc/76/18/52/583761852.db2.gz	SJIBHVXUJLTWNL-BBRMVZONSA-N	-1	1	338.408	-0.486	20	30		EBEDMM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822805764	583818212	/nfs/dbraw/zinc/81/82/12/583818212.db2.gz	CJJREUFCBQHUIB-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(F)c1	ZINC000822825697	583818465	/nfs/dbraw/zinc/81/84/65/583818465.db2.gz	LRLNACULYVXOBF-UHFFFAOYSA-N	-1	1	327.283	-0.215	20	30		EBEDMM
N#Cc1ccc(F)c(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000822825257	583818547	/nfs/dbraw/zinc/81/85/47/583818547.db2.gz	AIZHTVMWQXCESG-UHFFFAOYSA-N	-1	1	327.283	-0.215	20	30		EBEDMM
C#CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000823850033	583837663	/nfs/dbraw/zinc/83/76/63/583837663.db2.gz	IJEBHEWEPRZGFN-UHFFFAOYSA-N	-1	1	333.377	-0.799	20	30		EBEDMM
C#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000823850033	583837666	/nfs/dbraw/zinc/83/76/66/583837666.db2.gz	IJEBHEWEPRZGFN-UHFFFAOYSA-N	-1	1	333.377	-0.799	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000823931591	583839043	/nfs/dbraw/zinc/83/90/43/583839043.db2.gz	ABDHWWTWZSTCIL-UHFFFAOYSA-N	-1	1	340.365	-0.577	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000823931591	583839044	/nfs/dbraw/zinc/83/90/44/583839044.db2.gz	ABDHWWTWZSTCIL-UHFFFAOYSA-N	-1	1	340.365	-0.577	20	30		EBEDMM
CC1(C)NC(=O)N(CCCn2cnc(-c3nn[n-]n3)c2C#N)C1=O	ZINC000824813447	583850509	/nfs/dbraw/zinc/85/05/09/583850509.db2.gz	YUGJMZLSLORUHA-UHFFFAOYSA-N	-1	1	329.324	-0.345	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nnn[n-]2)nn1	ZINC000825938653	583871938	/nfs/dbraw/zinc/87/19/38/583871938.db2.gz	UTPHHAZLKFYYKQ-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nn[n-]n2)nn1	ZINC000825938653	583871939	/nfs/dbraw/zinc/87/19/39/583871939.db2.gz	UTPHHAZLKFYYKQ-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
N#Cc1ncn(CC(=O)N2CC(=O)Nc3ccccc32)c1-c1nn[n-]n1	ZINC000826388379	583896044	/nfs/dbraw/zinc/89/60/44/583896044.db2.gz	VKXVUPXAXYTCQF-UHFFFAOYSA-N	-1	1	349.314	-0.080	20	30		EBEDMM
C=C1[C@H](C(=O)NOC[C@@H]2CCOC2)[C@@H]1C(=O)[N-]OC[C@H]1CCOC1	ZINC000907665610	650088116	/nfs/dbraw/zinc/08/81/16/650088116.db2.gz	INYBWBCHHWHVLU-LVEBTZEWSA-N	-1	1	340.376	-0.043	20	30		EBEDMM
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1C(=O)NOC[C@H]1CCOC1	ZINC000907665610	650088119	/nfs/dbraw/zinc/08/81/19/650088119.db2.gz	INYBWBCHHWHVLU-LVEBTZEWSA-N	-1	1	340.376	-0.043	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000941965516	653008525	/nfs/dbraw/zinc/00/85/25/653008525.db2.gz	YNHOBPOMEURLJQ-ZWNOBZJWSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000941965511	653008896	/nfs/dbraw/zinc/00/88/96/653008896.db2.gz	YNHOBPOMEURLJQ-GWCFXTLKSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949854480	653986426	/nfs/dbraw/zinc/98/64/26/653986426.db2.gz	OZJPOLWBVHEUHY-UHFFFAOYSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000951867661	654323666	/nfs/dbraw/zinc/32/36/66/654323666.db2.gz	JLPINFDPYZFCMX-ZJUUUORDSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N	ZINC000951222397	654423570	/nfs/dbraw/zinc/42/35/70/654423570.db2.gz	LEVOLIMQNLZTDA-SFYZADRCSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224774	654425622	/nfs/dbraw/zinc/42/56/22/654425622.db2.gz	NLGOQWKYZNFUJM-NSHDSACASA-N	-1	1	340.343	-0.838	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000954830751	719925721	/nfs/dbraw/zinc/92/57/21/719925721.db2.gz	JCNIPDABWWZRIO-UHFFFAOYSA-N	-1	1	344.375	-0.087	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000956188866	720394848	/nfs/dbraw/zinc/39/48/48/720394848.db2.gz	MFGZPKDINRIQFU-ZJUUUORDSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000960327958	722819179	/nfs/dbraw/zinc/81/91/79/722819179.db2.gz	WHCFJWWWYVDNKA-IUODEOHRSA-N	-1	1	349.354	-0.073	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21	ZINC000960885199	722876978	/nfs/dbraw/zinc/87/69/78/722876978.db2.gz	XKBHCRKHTBXQBF-NTZNESFSSA-N	-1	1	330.344	-0.001	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)c1	ZINC000961722222	723063239	/nfs/dbraw/zinc/06/32/39/723063239.db2.gz	OAAUSTJENGLNOS-NHAGDIPZSA-N	-1	1	338.371	-0.655	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC000992851444	725839740	/nfs/dbraw/zinc/83/97/40/725839740.db2.gz	HCAHFGLRIQITIX-SDDRHHMPSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
N#Cc1cncc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001051682289	735320366	/nfs/dbraw/zinc/32/03/66/735320366.db2.gz	OOTPYSRBWFPMNM-DGCLKSJQSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#Cc1ccc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)nn1	ZINC001051683225	735321486	/nfs/dbraw/zinc/32/14/86/735321486.db2.gz	ZLOSSGKHJZPPEF-DGCLKSJQSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C#CCN1CC[C@@H](n2cc(CNC(=O)c3[nH]nc(C)c3[O-])nn2)C1	ZINC000999977029	726546474	/nfs/dbraw/zinc/54/64/74/726546474.db2.gz	ZJVSXVJQVWFORK-GFCCVEGCSA-N	-1	1	329.364	-0.175	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001003650444	726683597	/nfs/dbraw/zinc/68/35/97/726683597.db2.gz	UPJYCBWXLDJTGY-OLZOCXBDSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)C1CN(C(=O)[C@H](C)C#N)C1	ZINC001006451609	726769710	/nfs/dbraw/zinc/76/97/10/726769710.db2.gz	GMLFRPKKZXRIHU-HTQZYQBOSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001007046804	726788984	/nfs/dbraw/zinc/78/89/84/726788984.db2.gz	PNSNMYQCJVGPHI-NSHDSACASA-N	-1	1	329.364	-0.297	20	30		EBEDMM
N#CCN1CCC2(C[C@H]2NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001016927711	728527206	/nfs/dbraw/zinc/52/72/06/728527206.db2.gz	YYVPNTLELDTODT-LLVKDONJSA-N	-1	1	327.348	-0.475	20	30		EBEDMM
N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)c[nH]1	ZINC001023488570	729702498	/nfs/dbraw/zinc/70/24/98/729702498.db2.gz	NXRRWWPRPIFRIA-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CCCN(CC#N)C1	ZINC001025591646	730058428	/nfs/dbraw/zinc/05/84/28/730058428.db2.gz	FVWWJVKSXLTURM-QWRGUYRKSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC001027833982	730241732	/nfs/dbraw/zinc/24/17/32/730241732.db2.gz	SJWMESCSPBLPDY-NSHDSACASA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001038683400	731364048	/nfs/dbraw/zinc/36/40/48/731364048.db2.gz	DTAGRBMKJBTZNO-CYBMUJFWSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039579069	731449508	/nfs/dbraw/zinc/44/95/08/731449508.db2.gz	CRYYQPLTXCSJPP-SJORKVTESA-N	-1	1	349.387	-0.193	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061581767	738624696	/nfs/dbraw/zinc/62/46/96/738624696.db2.gz	TZTMKTYJXNXMOT-CYBMUJFWSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
N#Cc1nccnc1N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001043918198	733198703	/nfs/dbraw/zinc/19/87/03/733198703.db2.gz	OGFGCZJUONVREK-PWSUYJOCSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048722336	734482857	/nfs/dbraw/zinc/48/28/57/734482857.db2.gz	LNONLBPJUDLYLA-JSGCOSHPSA-N	-1	1	347.371	-0.529	20	30		EBEDMM
C=CCCN1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051205289	735098122	/nfs/dbraw/zinc/09/81/22/735098122.db2.gz	BWNRUUZIBPBZHV-SNVBAGLBSA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C#CCN1CC2(C1)CC[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)O2	ZINC001053685942	735967913	/nfs/dbraw/zinc/96/79/13/735967913.db2.gz	CCMQLNKHDHQFKG-JTQLQIEISA-N	-1	1	348.359	-0.507	20	30		EBEDMM
C=CCCOCC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057919363	737530283	/nfs/dbraw/zinc/53/02/83/737530283.db2.gz	XTHHORBOPLFYNH-UHFFFAOYSA-N	-1	1	337.376	-0.069	20	30		EBEDMM
C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065073382	739510597	/nfs/dbraw/zinc/51/05/97/739510597.db2.gz	KZLVJFPZOQVYOD-CYBMUJFWSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065154774	739564907	/nfs/dbraw/zinc/56/49/07/739564907.db2.gz	OGAHWOAJUUNOKS-STQMWFEESA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065154773	739565131	/nfs/dbraw/zinc/56/51/31/739565131.db2.gz	OGAHWOAJUUNOKS-QWHCGFSZSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
N#Cc1cnc(N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](O)C2)cn1	ZINC001067665171	740177617	/nfs/dbraw/zinc/17/76/17/740177617.db2.gz	KMIITRQXJPJHFF-ZWNOBZJWSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C=CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071186859	741081153	/nfs/dbraw/zinc/08/11/53/741081153.db2.gz	XNRAGINRUKXSOS-BMIGLBTASA-N	-1	1	335.364	-0.226	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CN(C(=O)c2cc(=O)n3nc[n-]c3n2)C[C@@H]1C	ZINC001072426839	741395299	/nfs/dbraw/zinc/39/52/99/741395299.db2.gz	NJLDKISJHUHDAS-JQWIXIFHSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)nc1=O	ZINC001074237662	741868158	/nfs/dbraw/zinc/86/81/58/741868158.db2.gz	CPODQZABVUENTG-ZIAGYGMSSA-N	-1	1	345.403	-0.677	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001078373693	743613014	/nfs/dbraw/zinc/61/30/14/743613014.db2.gz	HAWWOZJYEXZJBX-NSHDSACASA-N	-1	1	345.363	-0.269	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000983217439	806954085	/nfs/dbraw/zinc/95/40/85/806954085.db2.gz	TYXMUWJNIYBNJW-UWVGGRQHSA-N	-1	1	343.347	-0.844	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000978041074	804629640	/nfs/dbraw/zinc/62/96/40/804629640.db2.gz	ABGVJRMSXWNMHI-UWVGGRQHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1C	ZINC000989040617	808354994	/nfs/dbraw/zinc/35/49/94/808354994.db2.gz	MABFVMDMUNFOOS-BBBLOLIVSA-N	-1	1	343.347	-0.704	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1	ZINC000989535738	808497527	/nfs/dbraw/zinc/49/75/27/808497527.db2.gz	FJJAJJJXBRPANB-NXEZZACHSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@@H]21	ZINC001036843284	811285104	/nfs/dbraw/zinc/28/51/04/811285104.db2.gz	CXIBKCGQKCUDAY-OLZOCXBDSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081471674	813012145	/nfs/dbraw/zinc/01/21/45/813012145.db2.gz	QNHNNWBAUJXJDK-TZMCWYRMSA-N	-1	1	329.356	-0.250	20	30		EBEDMM
C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081488416	813048325	/nfs/dbraw/zinc/04/83/25/813048325.db2.gz	IBIOQUURCNFDFO-GXTWGEPZSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@]2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001269725000	815581007	/nfs/dbraw/zinc/58/10/07/815581007.db2.gz	BRTKUSBPSNQMKW-KRWDZBQOSA-N	-1	1	345.403	-0.289	20	30		EBEDMM
Cn1[n-]c(CN2CCN(CCNC(=O)C#CC(C)(C)C)CC2)nc1=O	ZINC001266283222	813510627	/nfs/dbraw/zinc/51/06/27/813510627.db2.gz	JCNWNVCBLQGVIK-UHFFFAOYSA-N	-1	1	348.451	-0.608	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](CNC(=O)CSCC#N)C2)nc1=O	ZINC001266739614	813658265	/nfs/dbraw/zinc/65/82/65/813658265.db2.gz	AREASHRWVSMXOD-LLVKDONJSA-N	-1	1	338.437	-0.307	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001276043482	817347428	/nfs/dbraw/zinc/34/74/28/817347428.db2.gz	DMOCKZAMCLTIHG-LBPRGKRZSA-N	-1	1	346.387	-0.908	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1	ZINC001090554252	817537165	/nfs/dbraw/zinc/53/71/65/817537165.db2.gz	WFTJPYBWFDSJSZ-RYUDHWBXSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1cnc(C#N)cn1	ZINC001094502724	818279689	/nfs/dbraw/zinc/27/96/89/818279689.db2.gz	XKMGKEQEZUQPKP-UHFFFAOYSA-N	-1	1	345.319	-0.210	20	30		EBEDMM
CC#CCN1CC(N2C[C@@H](NC(=O)c3ncccc3[O-])CC2=O)C1	ZINC001094732148	818383569	/nfs/dbraw/zinc/38/35/69/818383569.db2.gz	YFSUNYQPVZRNKD-LBPRGKRZSA-N	-1	1	328.372	-0.175	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1cncc(C#N)n1	ZINC001097952023	819063073	/nfs/dbraw/zinc/06/30/73/819063073.db2.gz	KMRKZUKGGDMGLP-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285355645	819553262	/nfs/dbraw/zinc/55/32/62/819553262.db2.gz	IGFICXXDBDWUFA-MNOVXSKESA-N	-1	1	344.375	-0.156	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285670801	819717205	/nfs/dbraw/zinc/71/72/05/819717205.db2.gz	URNACXBDZDONQF-GFCCVEGCSA-N	-1	1	336.392	-0.096	20	30		EBEDMM
CN(CCNc1nccnc1C#N)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101687046	820879342	/nfs/dbraw/zinc/87/93/42/820879342.db2.gz	VPUWTLLXTQSKCI-UHFFFAOYSA-N	-1	1	343.347	-0.841	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNC(=O)C#CC1CC1	ZINC001296061950	821199568	/nfs/dbraw/zinc/19/95/68/821199568.db2.gz	GWVYJUWVKITGJF-UHFFFAOYSA-N	-1	1	334.332	-0.502	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ncccc2[O-])cn1	ZINC001298172392	821468769	/nfs/dbraw/zinc/46/87/69/821468769.db2.gz	OCUDGKWCWIXIBU-CYBMUJFWSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
CC(C)C#CC(=O)NC/C=C/CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001298386019	821524946	/nfs/dbraw/zinc/52/49/46/821524946.db2.gz	MAVRAAYXJRSZBN-ONEGZZNKSA-N	-1	1	342.359	-0.521	20	30		EBEDMM
Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ncccc2[O-])n1	ZINC001105801677	821873868	/nfs/dbraw/zinc/87/38/68/821873868.db2.gz	BRTKLKARAGABLV-LLVKDONJSA-N	-1	1	328.332	-0.040	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107926805	824044106	/nfs/dbraw/zinc/04/41/06/824044106.db2.gz	NSZYMVUDMYWSJV-INIZCTEOSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CSCC#N)C3)nc1=O	ZINC001110305338	824699604	/nfs/dbraw/zinc/69/96/04/824699604.db2.gz	QBXBJFITBSVEAH-MXWKQRLJSA-N	-1	1	336.421	-0.413	20	30		EBEDMM
CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2	ZINC001110764327	824785538	/nfs/dbraw/zinc/78/55/38/824785538.db2.gz	OSVRPUCSMFZQNV-RTXFEEFZSA-N	-1	1	331.376	-0.040	20	30		EBEDMM
C#CCC1(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CCOCC1	ZINC001112948026	825700623	/nfs/dbraw/zinc/70/06/23/825700623.db2.gz	WJJUVWVJRXFYDO-UHFFFAOYSA-N	-1	1	347.419	-0.427	20	30		EBEDMM
CN(Cc1ccccc1)[C@@H](CO)C(=O)N([O-])C(=N)c1nonc1N	ZINC001185225962	833350671	/nfs/dbraw/zinc/35/06/71/833350671.db2.gz	UMVLEPNSMDVVQT-JTQLQIEISA-N	-1	1	334.336	-0.312	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001132042849	829310726	/nfs/dbraw/zinc/31/07/26/829310726.db2.gz	ZHTOMIIYTAGUJJ-QWHCGFSZSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143659495	830154351	/nfs/dbraw/zinc/15/43/51/830154351.db2.gz	XKFYXIUERXEIEB-CMPLNLGQSA-N	-1	1	346.347	-0.170	20	30		EBEDMM
C#CCN1CCCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1	ZINC001147291289	830315161	/nfs/dbraw/zinc/31/51/61/830315161.db2.gz	PJPQNLOCBBZQEB-UHFFFAOYSA-N	-1	1	325.390	-0.031	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001212156187	837559193	/nfs/dbraw/zinc/55/91/93/837559193.db2.gz	DVUXWPBGSPVFCA-YRGRVCCFSA-N	-1	1	346.387	-0.646	20	30		EBEDMM
C[C@H](CCNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C#CC1CC1	ZINC001355216321	832552636	/nfs/dbraw/zinc/55/26/36/832552636.db2.gz	QUZSTINYCVWLSD-GFCCVEGCSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001177000351	832731525	/nfs/dbraw/zinc/73/15/25/832731525.db2.gz	OSPLGXKJQGKNHX-ZIAGYGMSSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
N#CCN[C@@H]1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C12CCC2	ZINC001203500119	836439109	/nfs/dbraw/zinc/43/91/09/836439109.db2.gz	NOBLBCWZFOSNNP-VXGBXAGGSA-N	-1	1	331.376	-0.533	20	30		EBEDMM
C#CCCCCC(=O)NC[C@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001326624680	840153987	/nfs/dbraw/zinc/15/39/87/840153987.db2.gz	BDNWTMOLMCNZBY-ZDUSSCGKSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337428789	842614078	/nfs/dbraw/zinc/61/40/78/842614078.db2.gz	FCVGDMLNEFNMAH-GHMZBOCLSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001337639346	842653921	/nfs/dbraw/zinc/65/39/21/842653921.db2.gz	ULEPWJHBIHQOLF-GFCCVEGCSA-N	-1	1	344.371	-0.320	20	30		EBEDMM
C#CCN1CCC[C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1	ZINC001337893895	842717695	/nfs/dbraw/zinc/71/76/95/842717695.db2.gz	KLADPXFFVJDIHL-LBPRGKRZSA-N	-1	1	340.387	-0.506	20	30		EBEDMM
C#CCCCC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1	ZINC001573284333	946742711	/nfs/dbraw/zinc/74/27/11/946742711.db2.gz	ZINOWBXGVYLNSB-SNVBAGLBSA-N	-1	1	330.352	-0.651	20	30		EBEDMM
C#CCCCC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1	ZINC001573284333	946742712	/nfs/dbraw/zinc/74/27/12/946742712.db2.gz	ZINOWBXGVYLNSB-SNVBAGLBSA-N	-1	1	330.352	-0.651	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573286513	946809625	/nfs/dbraw/zinc/80/96/25/946809625.db2.gz	CVZYVYYRNCBMNZ-LLVKDONJSA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573286513	946809635	/nfs/dbraw/zinc/80/96/35/946809635.db2.gz	CVZYVYYRNCBMNZ-LLVKDONJSA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCOCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573286863	946821589	/nfs/dbraw/zinc/82/15/89/946821589.db2.gz	JIUVLRGPZQSIBW-LLVKDONJSA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCOCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573286863	946821596	/nfs/dbraw/zinc/82/15/96/946821596.db2.gz	JIUVLRGPZQSIBW-LLVKDONJSA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCOCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1	ZINC001573288228	946861347	/nfs/dbraw/zinc/86/13/47/946861347.db2.gz	IZNUBQAURJXFOE-UHFFFAOYSA-N	-1	1	342.363	-0.243	20	30		EBEDMM
C#CCOCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1	ZINC001573288228	946861363	/nfs/dbraw/zinc/86/13/63/946861363.db2.gz	IZNUBQAURJXFOE-UHFFFAOYSA-N	-1	1	342.363	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573560543	946953220	/nfs/dbraw/zinc/95/32/20/946953220.db2.gz	CZZFBHNYJJDLBM-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560832	946957561	/nfs/dbraw/zinc/95/75/61/946957561.db2.gz	HAWMSEURVPVMEP-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560832	946957569	/nfs/dbraw/zinc/95/75/69/946957569.db2.gz	HAWMSEURVPVMEP-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573560975	946959862	/nfs/dbraw/zinc/95/98/62/946959862.db2.gz	IFSGKXLPKIMLMM-VHSXEESVSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573560975	946959870	/nfs/dbraw/zinc/95/98/70/946959870.db2.gz	IFSGKXLPKIMLMM-VHSXEESVSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573561186	946960524	/nfs/dbraw/zinc/96/05/24/946960524.db2.gz	IWGHFDMDLFOEMX-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573561186	946960531	/nfs/dbraw/zinc/96/05/31/946960531.db2.gz	IWGHFDMDLFOEMX-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573562099	946969843	/nfs/dbraw/zinc/96/98/43/946969843.db2.gz	QSQGHEUXJFPFFU-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573562099	946969848	/nfs/dbraw/zinc/96/98/48/946969848.db2.gz	QSQGHEUXJFPFFU-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573562335	946974825	/nfs/dbraw/zinc/97/48/25/946974825.db2.gz	SLVRCFWXNAQSFJ-GXSJLCMTSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1	ZINC001573563694	946985197	/nfs/dbraw/zinc/98/51/97/946985197.db2.gz	CGFCGGKXLLUCND-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573572339	947111318	/nfs/dbraw/zinc/11/13/18/947111318.db2.gz	GYWFNKFHYWGUEE-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573572339	947111322	/nfs/dbraw/zinc/11/13/22/947111322.db2.gz	GYWFNKFHYWGUEE-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573307119	947178356	/nfs/dbraw/zinc/17/83/56/947178356.db2.gz	PCERZPQCZXNPMV-ZUZCIYMTSA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573329550	947420537	/nfs/dbraw/zinc/42/05/37/947420537.db2.gz	KTGFXUZPDAJGCP-SNVBAGLBSA-N	-1	1	332.368	-0.724	20	30		EBEDMM
CC(=O)N1CC[C@](C)(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1	ZINC001573432115	948186298	/nfs/dbraw/zinc/18/62/98/948186298.db2.gz	DRIPFSDYCINPDL-ZDUSSCGKSA-N	-1	1	329.324	-0.342	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1	ZINC001570926084	948681552	/nfs/dbraw/zinc/68/15/52/948681552.db2.gz	VCMLAGZVYHJNIZ-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1	ZINC001570926084	948681557	/nfs/dbraw/zinc/68/15/57/948681557.db2.gz	VCMLAGZVYHJNIZ-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
N#Cc1ncc(N2CC(C3CS(=O)(=O)C3)C2)nc1-c1nn[n-]n1	ZINC001570929757	948784549	/nfs/dbraw/zinc/78/45/49/948784549.db2.gz	ZIGKPYIGUPAJOM-UHFFFAOYSA-N	-1	1	332.349	-0.991	20	30		EBEDMM
C[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001576214604	950678510	/nfs/dbraw/zinc/67/85/10/950678510.db2.gz	QPOKEWYWXSSQAA-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001576214604	950678520	/nfs/dbraw/zinc/67/85/20/950678520.db2.gz	QPOKEWYWXSSQAA-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)NC[C@@H](CC)C(=O)[O-])c1ccn[nH]1	ZINC001590648538	950969973	/nfs/dbraw/zinc/96/99/73/950969973.db2.gz	SXQTZTDMPLJFLT-SECBINFHSA-N	-1	1	340.336	-0.080	20	30		EBEDMM
N#CC(C(=O)CCCCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC001594601128	956131381	/nfs/dbraw/zinc/13/13/81/956131381.db2.gz	KVLMJOQYSYMCRV-JTQLQIEISA-N	-1	1	330.362	-0.403	20	30		EBEDMM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O	ZINC001588415815	958159751	/nfs/dbraw/zinc/15/97/51/958159751.db2.gz	AKHSWUJVMMPMOE-UHFFFAOYSA-N	-1	1	340.357	-0.198	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001592221390	977398621	/nfs/dbraw/zinc/39/86/21/977398621.db2.gz	FBVWMIVKFROBPO-NWDGAFQWSA-N	-1	1	332.426	-0.054	20	30		EBEDMM
C=C(C)C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	ZINC001588553778	983628473	/nfs/dbraw/zinc/62/84/73/983628473.db2.gz	SEQBAYRVADXDMV-CYBMUJFWSA-N	-1	1	333.454	-0.037	20	30		EBEDMM
C=CCOC[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C(=O)[O-]	ZINC001588854260	984389456	/nfs/dbraw/zinc/38/94/56/984389456.db2.gz	SYPLUNHZCDTQEH-SECBINFHSA-N	-1	1	334.336	-0.439	20	30		EBEDMM
COC(=O)[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598818189	996293815	/nfs/dbraw/zinc/29/38/15/996293815.db2.gz	AHPVHQRRFBRHBM-ZIAGYGMSSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
C#CCN(C(=O)[C@@H]1CCOC1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001483979758	1126494817	/nfs/dbraw/zinc/49/48/17/1126494817.db2.gz	BFRIKHXMAKKXFB-CYBMUJFWSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)c1	ZINC001485350687	1126691970	/nfs/dbraw/zinc/69/19/70/1126691970.db2.gz	QHEDDGZGLJNWCE-LLVKDONJSA-N	-1	1	328.376	-0.265	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1	ZINC001093035266	1128293438	/nfs/dbraw/zinc/29/34/38/1128293438.db2.gz	VOZSCJCSCOMGCV-GHMZBOCLSA-N	-1	1	346.395	-0.214	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001489328643	1128957641	/nfs/dbraw/zinc/95/76/41/1128957641.db2.gz	LUULZYFQGJGNCS-NQBHXWOUSA-N	-1	1	335.360	-0.320	20	30		EBEDMM
N#CCSCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001489577197	1129012573	/nfs/dbraw/zinc/01/25/73/1129012573.db2.gz	OPLNTLMUSKGVSN-KOLCDFICSA-N	-1	1	336.373	-0.655	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001412668897	1129589382	/nfs/dbraw/zinc/58/93/82/1129589382.db2.gz	DJQKNAKRIYORBR-RKDXNWHRSA-N	-1	1	331.336	-0.846	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]1CNC(=O)C#CC(C)C	ZINC001358603269	1131225505	/nfs/dbraw/zinc/22/55/05/1131225505.db2.gz	BVZDFNOPCQOPMO-JTQLQIEISA-N	-1	1	348.359	-0.114	20	30		EBEDMM
Cc1cc(C[C@H](C)NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001362146477	1131524984	/nfs/dbraw/zinc/52/49/84/1131524984.db2.gz	ATGVVVXPHHOANS-VIFPVBQESA-N	-1	1	330.348	-0.010	20	30		EBEDMM
N#Cc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1[O-]	ZINC001363167932	1131811942	/nfs/dbraw/zinc/81/19/42/1131811942.db2.gz	OIDIZMRCSSZBJJ-INIZCTEOSA-N	-1	1	331.328	-0.379	20	30		EBEDMM
CN(C)Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001363483692	1131968330	/nfs/dbraw/zinc/96/83/30/1131968330.db2.gz	OLCVTCXYLOOHME-UHFFFAOYSA-N	-1	1	342.359	-0.293	20	30		EBEDMM
C=C(Br)CN[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001371255812	1135873567	/nfs/dbraw/zinc/87/35/67/1135873567.db2.gz	FYLRTIMAFGOKNW-ZCFIWIBFSA-N	-1	1	332.158	-0.101	20	30		EBEDMM
CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286461162	375995518	/nfs/dbraw/zinc/99/55/18/375995518.db2.gz	AZAFAVJAUICDPD-UHFFFAOYSA-N	-1	1	326.378	-0.360	20	30		EBEDMM
COC(=O)c1cn(CC[N-]S(=O)(=O)c2ccc(C#N)o2)nn1	ZINC000287368191	376434386	/nfs/dbraw/zinc/43/43/86/376434386.db2.gz	MTOKIJWGICHYMC-UHFFFAOYSA-N	-1	1	325.306	-0.492	20	30		EBEDMM
CC1(C)C[C@]1(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000427892935	376930625	/nfs/dbraw/zinc/93/06/25/376930625.db2.gz	NXFLJZKCONKMOE-CYBMUJFWSA-N	-1	1	340.361	-0.535	20	30		EBEDMM
CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc([O-])cc(C#N)c1	ZINC000600730187	379229492	/nfs/dbraw/zinc/22/94/92/379229492.db2.gz	YWYFCALZGJGSQF-GFCCVEGCSA-N	-1	1	339.373	-0.346	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c(=O)n(C)c1=O	ZINC000274280674	379680619	/nfs/dbraw/zinc/68/06/19/379680619.db2.gz	BVTMWIBIAVQUBJ-CYBMUJFWSA-N	-1	1	328.394	-0.309	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)OC	ZINC000360618356	380265277	/nfs/dbraw/zinc/26/52/77/380265277.db2.gz	ISKSGFGCVLOOIN-UTUOFQBUSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349571119	381147759	/nfs/dbraw/zinc/14/77/59/381147759.db2.gz	FHTZAYBLFLGINF-UHFFFAOYSA-N	-1	1	332.407	-0.024	20	30		EBEDMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C1=O	ZINC000296056821	155073329	/nfs/dbraw/zinc/07/33/29/155073329.db2.gz	OVAPGAGCPJFRPX-LLVKDONJSA-N	-1	1	325.321	-0.126	20	30		EBEDMM
C=CCNS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)ccc1F	ZINC000731886926	582842149	/nfs/dbraw/zinc/84/21/49/582842149.db2.gz	DONLREYQIHRVNP-UHFFFAOYSA-N	-1	1	340.340	-0.267	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000733143078	582855995	/nfs/dbraw/zinc/85/59/95/582855995.db2.gz	AAAANUHLMVGLFO-CYBMUJFWSA-N	-1	1	333.392	-0.381	20	30		EBEDMM
N#Cc1cnn(CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)c1N	ZINC000737728466	583024427	/nfs/dbraw/zinc/02/44/27/583024427.db2.gz	PBQHNIVZPALWND-UHFFFAOYSA-N	-1	1	325.292	-0.231	20	30		EBEDMM
N#Cc1cnn(CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)c1N	ZINC000737728466	583024428	/nfs/dbraw/zinc/02/44/28/583024428.db2.gz	PBQHNIVZPALWND-UHFFFAOYSA-N	-1	1	325.292	-0.231	20	30		EBEDMM
CN1CCC(=N[N-]c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O	ZINC000761723513	583242022	/nfs/dbraw/zinc/24/20/22/583242022.db2.gz	AEKFPJPBRDPVAI-UHFFFAOYSA-N	-1	1	327.322	-0.128	20	30		EBEDMM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc2cncn2c1	ZINC000793144458	583564363	/nfs/dbraw/zinc/56/43/63/583564363.db2.gz	RSFNNIDNBWGAOK-CYBMUJFWSA-N	-1	1	346.368	-0.086	20	30		EBEDMM
NS(=O)(=O)c1ccc(N=NCc2ccc(-c3nnn[n-]3)o2)nc1	ZINC000822899697	583821230	/nfs/dbraw/zinc/82/12/30/583821230.db2.gz	PFVOMKRVNDCMDP-UHFFFAOYSA-N	-1	1	334.321	-0.052	20	30		EBEDMM
NS(=O)(=O)c1ccc(N=NCc2ccc(-c3nn[n-]n3)o2)nc1	ZINC000822899697	583821233	/nfs/dbraw/zinc/82/12/33/583821233.db2.gz	PFVOMKRVNDCMDP-UHFFFAOYSA-N	-1	1	334.321	-0.052	20	30		EBEDMM
C#CCNC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1	ZINC000823849808	583837706	/nfs/dbraw/zinc/83/77/06/583837706.db2.gz	AISNVORIDGVYLK-UHFFFAOYSA-N	-1	1	329.364	-0.673	20	30		EBEDMM
C#CCNC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1	ZINC000823849808	583837708	/nfs/dbraw/zinc/83/77/08/583837708.db2.gz	AISNVORIDGVYLK-UHFFFAOYSA-N	-1	1	329.364	-0.673	20	30		EBEDMM
CC(C)(C)S(=O)(=O)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000824123913	583841565	/nfs/dbraw/zinc/84/15/65/583841565.db2.gz	MORFPMTWGDVVQR-UHFFFAOYSA-N	-1	1	338.353	-0.387	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NC(=O)NCC(F)(F)F	ZINC000826383301	583895656	/nfs/dbraw/zinc/89/56/56/583895656.db2.gz	UBHPMXYFVLNOMT-UHFFFAOYSA-N	-1	1	343.229	-0.677	20	30		EBEDMM
C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2F)CC1	ZINC000831568695	583985973	/nfs/dbraw/zinc/98/59/73/583985973.db2.gz	PAJMUQKDURHSLX-UHFFFAOYSA-N	-1	1	341.364	-0.243	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000941967793	653009254	/nfs/dbraw/zinc/00/92/54/653009254.db2.gz	UHXFYKBRDWDNJU-ZYHUDNBSSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000962285206	723216345	/nfs/dbraw/zinc/21/63/45/723216345.db2.gz	CWWVPQRLNYJGCH-GDGBQDQQSA-N	-1	1	334.767	-0.170	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970447707	725292306	/nfs/dbraw/zinc/29/23/06/725292306.db2.gz	RSAOPDIJRIITIV-RTXFEEFZSA-N	-1	1	335.408	-0.364	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nc1=O	ZINC000974473948	726028327	/nfs/dbraw/zinc/02/83/27/726028327.db2.gz	WDXLZEXEEOHWKR-GFCCVEGCSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C#CCCN1CCC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001008891076	726823493	/nfs/dbraw/zinc/82/34/93/726823493.db2.gz	FWCQGRMCLPTUCO-LBPRGKRZSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001018069673	728631188	/nfs/dbraw/zinc/63/11/88/728631188.db2.gz	RRCLYTMEDNLSLJ-OKILXGFUSA-N	-1	1	330.388	-0.375	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C	ZINC001020535556	729197844	/nfs/dbraw/zinc/19/78/44/729197844.db2.gz	MABFVMDMUNFOOS-UTLUCORTSA-N	-1	1	343.347	-0.704	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001023318213	729662908	/nfs/dbraw/zinc/66/29/08/729662908.db2.gz	DWTGUQDSYMOHRX-LLVKDONJSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001023757056	729793682	/nfs/dbraw/zinc/79/36/82/729793682.db2.gz	RQFWIEGQORLDKC-GGZOMVNGSA-N	-1	1	345.359	-0.479	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC001032338488	730843395	/nfs/dbraw/zinc/84/33/95/730843395.db2.gz	VAQTVZLZGVNQSG-QWRGUYRKSA-N	-1	1	327.348	-0.593	20	30		EBEDMM
C=CCn1cc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001033484451	731027991	/nfs/dbraw/zinc/02/79/91/731027991.db2.gz	QLMVFHYXXCOAHZ-NSHDSACASA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C=CCn1cc(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001033484450	731028031	/nfs/dbraw/zinc/02/80/31/731028031.db2.gz	QLMVFHYXXCOAHZ-LLVKDONJSA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001061522678	738582160	/nfs/dbraw/zinc/58/21/60/738582160.db2.gz	AZZXVBPDZMMNES-CYBMUJFWSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042719727	732550512	/nfs/dbraw/zinc/55/05/12/732550512.db2.gz	IPQXAEZMWDNIDS-UHFFFAOYSA-N	-1	1	335.360	-0.317	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001043821508	733135137	/nfs/dbraw/zinc/13/51/37/733135137.db2.gz	LIBVBGVYNOPFMG-UHFFFAOYSA-N	-1	1	326.360	-0.559	20	30		EBEDMM
N#Cc1cncc(N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001043917824	733198568	/nfs/dbraw/zinc/19/85/68/733198568.db2.gz	INJICLHRKTVAPF-PWSUYJOCSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001051554437	735229744	/nfs/dbraw/zinc/22/97/44/735229744.db2.gz	FWBHTEUJHPCRLB-SNVBAGLBSA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C#CCCN1CC2(C1)CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCO2	ZINC001053508515	735909609	/nfs/dbraw/zinc/90/96/09/735909609.db2.gz	XIYYNQOBKIWVFB-UHFFFAOYSA-N	-1	1	348.359	-0.554	20	30		EBEDMM
C=CCCOCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057417088	737236633	/nfs/dbraw/zinc/23/66/33/737236633.db2.gz	PBULQNATTDUYEJ-UHFFFAOYSA-N	-1	1	337.376	-0.069	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCC1	ZINC001063650686	739172247	/nfs/dbraw/zinc/17/22/47/739172247.db2.gz	DMLHVGLUXQXVIJ-LLVKDONJSA-N	-1	1	347.375	-0.759	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCC1	ZINC001063650687	739172342	/nfs/dbraw/zinc/17/23/42/739172342.db2.gz	DMLHVGLUXQXVIJ-NSHDSACASA-N	-1	1	347.375	-0.759	20	30		EBEDMM
N#Cc1nccc(N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001067666208	740179598	/nfs/dbraw/zinc/17/95/98/740179598.db2.gz	YYXIPMSZDMLRCL-ZYHUDNBSSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001067796262	740220504	/nfs/dbraw/zinc/22/05/04/740220504.db2.gz	JFHWFTDLKUFFQX-GFCCVEGCSA-N	-1	1	349.391	-0.607	20	30		EBEDMM
C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ncccc2[O-])n1	ZINC001070585094	740880211	/nfs/dbraw/zinc/88/02/11/740880211.db2.gz	QFDXSNFPCQNIOC-NSHDSACASA-N	-1	1	342.359	-0.158	20	30		EBEDMM
C#CCN1CCOC[C@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1	ZINC001070585094	740880215	/nfs/dbraw/zinc/88/02/15/740880215.db2.gz	QFDXSNFPCQNIOC-NSHDSACASA-N	-1	1	342.359	-0.158	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001071013906	741036982	/nfs/dbraw/zinc/03/69/82/741036982.db2.gz	QWXVBTSKHCQCLY-VHSXEESVSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001071013905	741037065	/nfs/dbraw/zinc/03/70/65/741037065.db2.gz	QWXVBTSKHCQCLY-NXEZZACHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3nc[n-]c3n2)C[C@@H]1C	ZINC001072426838	741395381	/nfs/dbraw/zinc/39/53/81/741395381.db2.gz	NJLDKISJHUHDAS-CMPLNLGQSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C#CCN1CCO[C@H]2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C[C@H]21	ZINC001074382420	741921500	/nfs/dbraw/zinc/92/15/00/741921500.db2.gz	KVSSYICEKUMOBI-MNOVXSKESA-N	-1	1	348.359	-0.555	20	30		EBEDMM
C=CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001074383080	741921906	/nfs/dbraw/zinc/92/19/06/741921906.db2.gz	VDWKBDUFPINRGZ-OLZOCXBDSA-N	-1	1	344.375	-0.481	20	30		EBEDMM
C#CCCN1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000982251570	806435446	/nfs/dbraw/zinc/43/54/46/806435446.db2.gz	OVUCCLWBUUYMSO-UHFFFAOYSA-N	-1	1	328.376	-0.371	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991407379	809425094	/nfs/dbraw/zinc/42/50/94/809425094.db2.gz	DXTZCXBFYOAZDZ-GXTWGEPZSA-N	-1	1	329.356	-0.108	20	30		EBEDMM
C=CCNC(=O)CN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC001217673757	810450032	/nfs/dbraw/zinc/45/00/32/810450032.db2.gz	DPTPSCVHTZNPJU-GXTWGEPZSA-N	-1	1	346.387	-0.385	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC001079588776	811596828	/nfs/dbraw/zinc/59/68/28/811596828.db2.gz	MMXJCZOAMUSUPW-BXKDBHETSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
O=C1N=C(O[C@H]2C=CCC2)C(N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1	ZINC001227472783	811923612	/nfs/dbraw/zinc/92/36/12/811923612.db2.gz	FGUNUAKVYZCGFM-YFKPBYRVSA-N	-1	1	333.260	-0.576	20	30		EBEDMM
CS(=O)(=O)c1ccc(-n2ncc(C#N)c2[N-]S(N)(=O)=O)cc1	ZINC001260075850	812821837	/nfs/dbraw/zinc/82/18/37/812821837.db2.gz	OALJLWSVEAOVII-UHFFFAOYSA-N	-1	1	341.374	-0.237	20	30		EBEDMM
C=CCNC(=O)CN(C)CCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001265045540	813228262	/nfs/dbraw/zinc/22/82/62/813228262.db2.gz	VUPYBVBJCYGDBX-UHFFFAOYSA-N	-1	1	346.391	-0.624	20	30		EBEDMM
C#CCCN1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1	ZINC001083160519	814171016	/nfs/dbraw/zinc/17/10/16/814171016.db2.gz	FYJBVBQAAMTCOM-QWHCGFSZSA-N	-1	1	332.360	-0.966	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1	ZINC001269411886	814681970	/nfs/dbraw/zinc/68/19/70/814681970.db2.gz	WZKFTBSQPFUJBC-GFCCVEGCSA-N	-1	1	343.387	-0.201	20	30		EBEDMM
C#CCN1C(=O)COCC12CN(C(=O)c1[n-][nH]c3cc(=O)ccc1-3)C2	ZINC001270388245	815763721	/nfs/dbraw/zinc/76/37/21/815763721.db2.gz	GJHXHICUQXQUIT-UHFFFAOYSA-N	-1	1	340.339	-0.045	20	30		EBEDMM
N#CC1(NC(=O)c2[nH]nc3c2CN(C(=O)Cc2nn[n-]n2)C3)CCC1	ZINC001270788374	815890471	/nfs/dbraw/zinc/89/04/71/815890471.db2.gz	GMRMMLTYPMBFNB-UHFFFAOYSA-N	-1	1	341.335	-0.816	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001271139786	816001066	/nfs/dbraw/zinc/00/10/66/816001066.db2.gz	ZCBDZEJZJYDCAN-INIZCTEOSA-N	-1	1	334.376	-0.744	20	30		EBEDMM
CC#CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1	ZINC001271168357	816014091	/nfs/dbraw/zinc/01/40/91/816014091.db2.gz	ZQXONLSAHXRRBK-GOSISDBHSA-N	-1	1	348.447	-0.049	20	30		EBEDMM
C#CCN1CC2(CN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)OCC1=O	ZINC001271556208	816141470	/nfs/dbraw/zinc/14/14/70/816141470.db2.gz	MKZJDFIUCFKCKK-UHFFFAOYSA-N	-1	1	334.357	-0.843	20	30		EBEDMM
C#CCCN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C	ZINC001088927385	816764989	/nfs/dbraw/zinc/76/49/89/816764989.db2.gz	VHEUKTUUUYZAPO-YPMHNXCESA-N	-1	1	328.376	-0.327	20	30		EBEDMM
C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H](N=c3cc[n-]c(C#N)n3)C2)C1	ZINC001091479486	817996033	/nfs/dbraw/zinc/99/60/33/817996033.db2.gz	OTNSNFGSPSHSNR-AVGNSLFASA-N	-1	1	342.403	-0.055	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)nc1=O	ZINC001091659057	818026311	/nfs/dbraw/zinc/02/63/11/818026311.db2.gz	FUXSKAKCPNELQE-DYVFJYSZSA-N	-1	1	329.404	-0.198	20	30		EBEDMM
Cc1cc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)c(C#N)cn1	ZINC001093738856	818092447	/nfs/dbraw/zinc/09/24/47/818092447.db2.gz	AVXKSZCVMMSAKY-UHFFFAOYSA-N	-1	1	342.359	-0.848	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001282801957	818494603	/nfs/dbraw/zinc/49/46/03/818494603.db2.gz	XXOLCLXMGUZCOZ-NWDGAFQWSA-N	-1	1	335.408	-0.527	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1cncc(C#N)n1	ZINC001097939053	819058313	/nfs/dbraw/zinc/05/83/13/819058313.db2.gz	BDHAANVNHOEYPQ-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285224761	819517011	/nfs/dbraw/zinc/51/70/11/819517011.db2.gz	VRKCGMIKTBMAKG-JTQLQIEISA-N	-1	1	342.359	-0.687	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099946947	819959357	/nfs/dbraw/zinc/95/93/57/819959357.db2.gz	NVYXLWUTHQRCCB-NEPJUHHUSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C=CCCC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001292390149	820534565	/nfs/dbraw/zinc/53/45/65/820534565.db2.gz	QVQWVAWAFOYKRK-UHFFFAOYSA-N	-1	1	334.376	-0.436	20	30		EBEDMM
CN(CCCNC(=O)C#CC1CC1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001294062976	820864696	/nfs/dbraw/zinc/86/46/96/820864696.db2.gz	WSNPBYINGOSVOG-UHFFFAOYSA-N	-1	1	342.359	-0.591	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001294283420	820914998	/nfs/dbraw/zinc/91/49/98/820914998.db2.gz	DHCQFAWVLVALBG-NSHDSACASA-N	-1	1	335.364	-0.949	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](NC(=O)C#CC(C)C)C1	ZINC001294736991	820986488	/nfs/dbraw/zinc/98/64/88/820986488.db2.gz	ANOUXKBBYYXNAW-SNVBAGLBSA-N	-1	1	348.359	-0.114	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001295059730	821044649	/nfs/dbraw/zinc/04/46/49/821044649.db2.gz	LHYGIUSYLXOFPF-LBPRGKRZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C#Cc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC001309584672	821779940	/nfs/dbraw/zinc/77/99/40/821779940.db2.gz	NGMGMZAPNXOKNH-UHFFFAOYSA-N	-1	1	333.369	-0.456	20	30		EBEDMM
C[C@H](NCC#N)[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001316877377	821903010	/nfs/dbraw/zinc/90/30/10/821903010.db2.gz	FGBKTEQQWCMRBH-QWHCGFSZSA-N	-1	1	333.392	-0.191	20	30		EBEDMM
Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1	ZINC001317537937	822150397	/nfs/dbraw/zinc/15/03/97/822150397.db2.gz	SCRBACIOFDFRKF-NSHDSACASA-N	-1	1	332.364	-0.818	20	30		EBEDMM
C[C@H](CNc1ccncc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107837451	823993846	/nfs/dbraw/zinc/99/38/46/823993846.db2.gz	PEDLNASBQXLKDK-LLVKDONJSA-N	-1	1	342.359	-0.768	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107844178	823996771	/nfs/dbraw/zinc/99/67/71/823996771.db2.gz	WBKORKISXACFPC-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1nccnc1C#N	ZINC001107855059	823999835	/nfs/dbraw/zinc/99/98/35/823999835.db2.gz	CZGXFBBNHGAHBZ-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCCCC(=O)NC[C@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107901687	824029338	/nfs/dbraw/zinc/02/93/38/824029338.db2.gz	VXKJCODGWOXPDR-MRXNPFEDSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107926806	824043843	/nfs/dbraw/zinc/04/38/43/824043843.db2.gz	NSZYMVUDMYWSJV-MRXNPFEDSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110545915	824751552	/nfs/dbraw/zinc/75/15/52/824751552.db2.gz	FSTKYZWLRLJTCP-LOWDOPEQSA-N	-1	1	333.392	-0.632	20	30		EBEDMM
C#CCOCCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111744302	825307824	/nfs/dbraw/zinc/30/78/24/825307824.db2.gz	SFDFABAPHWYABN-GUYCJALGSA-N	-1	1	347.419	-0.381	20	30		EBEDMM
N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001111903916	825338638	/nfs/dbraw/zinc/33/86/38/825338638.db2.gz	XINWABOLVLRKII-LRDDRELGSA-N	-1	1	331.376	-0.579	20	30		EBEDMM
N#CCNC1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCCCC1	ZINC001115775096	826583119	/nfs/dbraw/zinc/58/31/19/826583119.db2.gz	UUUHRAFWMXOLNK-UHFFFAOYSA-N	-1	1	333.392	-0.141	20	30		EBEDMM
C[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@H]1CNCC#N	ZINC001185491147	833360113	/nfs/dbraw/zinc/36/01/13/833360113.db2.gz	FRYIRDYFGPEVGH-QWRGUYRKSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1	ZINC001147283916	830315901	/nfs/dbraw/zinc/31/59/01/830315901.db2.gz	YCIVRKAJSBLUAD-UHFFFAOYSA-N	-1	1	325.390	-0.031	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147440186	830343043	/nfs/dbraw/zinc/34/30/43/830343043.db2.gz	LMKNPCAAEAHIFC-HNNXBMFYSA-N	-1	1	335.408	-0.530	20	30		EBEDMM
C#CC[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OC	ZINC001212123663	837548921	/nfs/dbraw/zinc/54/89/21/837548921.db2.gz	SYOYHNXREYMMSA-QMMMGPOBSA-N	-1	1	329.334	-0.652	20	30		EBEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OC	ZINC001212123662	837549400	/nfs/dbraw/zinc/54/94/00/837549400.db2.gz	SYOYHNXREYMMSA-MRVPVSSYSA-N	-1	1	329.334	-0.652	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)C#CC(C)C)C1	ZINC001353771511	832445019	/nfs/dbraw/zinc/44/50/19/832445019.db2.gz	VTHFHTWSASWNKA-AOOOYVTPSA-N	-1	1	348.359	-0.067	20	30		EBEDMM
C=C1CC(C)(C(=O)NCCN(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001355886435	832589668	/nfs/dbraw/zinc/58/96/68/832589668.db2.gz	UEGVKWOGVXKKAO-UHFFFAOYSA-N	-1	1	348.403	-0.142	20	30		EBEDMM
C#CCCCC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001177006334	832732397	/nfs/dbraw/zinc/73/23/97/832732397.db2.gz	ONXVLVMSYXRDMN-UONOGXRCSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
CNS(=O)(=O)c1ccc(C(=O)N([O-])C(=N)c2nonc2N)cc1	ZINC001188105887	834003972	/nfs/dbraw/zinc/00/39/72/834003972.db2.gz	DKXFHVLFVFTBQD-UHFFFAOYSA-N	-1	1	340.321	-0.583	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1ccc(N2CCCNC2=O)nc1	ZINC001198455404	835685090	/nfs/dbraw/zinc/68/50/90/835685090.db2.gz	NXYGJZDGSCYDMX-UHFFFAOYSA-N	-1	1	346.307	-0.177	20	30		EBEDMM
C=CCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001213957547	837909497	/nfs/dbraw/zinc/90/94/97/837909497.db2.gz	IQMXLNBKXKBNOT-VXGBXAGGSA-N	-1	1	339.396	-0.984	20	30		EBEDMM
N#Cc1ccc(CS(=O)(=O)CC(=O)NN2CC(=O)[N-]C2=O)cc1	ZINC001319086732	838070443	/nfs/dbraw/zinc/07/04/43/838070443.db2.gz	VRCZCNJPQRWNJO-UHFFFAOYSA-N	-1	1	336.329	-0.944	20	30		EBEDMM
C#CCSCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001332131908	841579863	/nfs/dbraw/zinc/57/98/63/841579863.db2.gz	OSARNQWGLRYATE-UHFFFAOYSA-N	-1	1	342.465	-0.304	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001334251621	842019097	/nfs/dbraw/zinc/01/90/97/842019097.db2.gz	DHSVYQMPJWUJKU-ZDUSSCGKSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1	ZINC001334995754	842165009	/nfs/dbraw/zinc/16/50/09/842165009.db2.gz	BTGZSFNAPBOLRM-NSHDSACASA-N	-1	1	344.371	-0.497	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337428792	842614208	/nfs/dbraw/zinc/61/42/08/842614208.db2.gz	FCVGDMLNEFNMAH-MNOVXSKESA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001338616558	842847555	/nfs/dbraw/zinc/84/75/55/842847555.db2.gz	YTPAEJQUOBMCSJ-SCRDCRAPSA-N	-1	1	349.387	-0.073	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC	ZINC001342805923	843181786	/nfs/dbraw/zinc/18/17/86/843181786.db2.gz	XZXXFRLZARWYLA-DGCLKSJQSA-N	-1	1	335.360	-0.055	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001345761899	843432009	/nfs/dbraw/zinc/43/20/09/843432009.db2.gz	OINNBEWEWFYPGU-DGCLKSJQSA-N	-1	1	335.360	-0.319	20	30		EBEDMM
C#C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C	ZINC001573279212	946634848	/nfs/dbraw/zinc/63/48/48/946634848.db2.gz	DGCZLQMOWDHAST-JTQLQIEISA-N	-1	1	345.363	-0.317	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573285443	946778285	/nfs/dbraw/zinc/77/82/85/946778285.db2.gz	ICNJCESOYWHWBZ-WDEREUQCSA-N	-1	1	342.363	-0.870	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573286232	946799054	/nfs/dbraw/zinc/79/90/54/946799054.db2.gz	WTIUYERONSSPLQ-JTQLQIEISA-N	-1	1	330.352	-0.435	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573286232	946799059	/nfs/dbraw/zinc/79/90/59/946799059.db2.gz	WTIUYERONSSPLQ-JTQLQIEISA-N	-1	1	330.352	-0.435	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573562307	946972467	/nfs/dbraw/zinc/97/24/67/946972467.db2.gz	SFTVBXLUWIOWJN-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573562307	946972475	/nfs/dbraw/zinc/97/24/75/946972475.db2.gz	SFTVBXLUWIOWJN-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566343	947023411	/nfs/dbraw/zinc/02/34/11/947023411.db2.gz	BJYNQRKLQSLYJL-QWRGUYRKSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573567271	947042189	/nfs/dbraw/zinc/04/21/89/947042189.db2.gz	KYVJUBPRKLUHTC-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573568155	947068090	/nfs/dbraw/zinc/06/80/90/947068090.db2.gz	YMRVWGVZOGYTBA-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573568155	947068096	/nfs/dbraw/zinc/06/80/96/947068096.db2.gz	YMRVWGVZOGYTBA-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573574341	947128500	/nfs/dbraw/zinc/12/85/00/947128500.db2.gz	RHHKGGFYVIGBFW-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573574341	947128504	/nfs/dbraw/zinc/12/85/04/947128504.db2.gz	RHHKGGFYVIGBFW-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573309427	947198373	/nfs/dbraw/zinc/19/83/73/947198373.db2.gz	IUCNWVYIRAFDSH-MEBBXXQBSA-N	-1	1	346.395	-0.288	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573584380	947220987	/nfs/dbraw/zinc/22/09/87/947220987.db2.gz	VAVMKEZMQOKXMA-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573584380	947220993	/nfs/dbraw/zinc/22/09/93/947220993.db2.gz	VAVMKEZMQOKXMA-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001570929112	948753224	/nfs/dbraw/zinc/75/32/24/948753224.db2.gz	HSVGWQZZPDPKOS-QMMMGPOBSA-N	-1	1	331.340	-0.049	20	30		EBEDMM
C[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CS1(=O)=O	ZINC001570936072	949008002	/nfs/dbraw/zinc/00/80/02/949008002.db2.gz	XVSMEVZAWAWHHD-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CS1(=O)=O	ZINC001570936072	949008022	/nfs/dbraw/zinc/00/80/22/949008022.db2.gz	XVSMEVZAWAWHHD-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H](CNC(=O)CSCC#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574936193	949208728	/nfs/dbraw/zinc/20/87/28/949208728.db2.gz	IDGVRMMHOYTFMJ-MRVPVSSYSA-N	-1	1	333.381	-0.748	20	30		EBEDMM
C[C@]1(C#N)CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCO1	ZINC001575526230	949364829	/nfs/dbraw/zinc/36/48/29/949364829.db2.gz	WGKAYPJMPJDODB-LBPRGKRZSA-N	-1	1	335.349	-0.435	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001574472354	949553406	/nfs/dbraw/zinc/55/34/06/949553406.db2.gz	SYOWTAAMEIPELW-SECBINFHSA-N	-1	1	336.381	-0.170	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1	ZINC001574472354	949553426	/nfs/dbraw/zinc/55/34/26/949553426.db2.gz	SYOWTAAMEIPELW-SECBINFHSA-N	-1	1	336.381	-0.170	20	30		EBEDMM
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1	ZINC001576214423	950670696	/nfs/dbraw/zinc/67/06/96/950670696.db2.gz	AGUULUNIOBLRQN-ZYHUDNBSSA-N	-1	1	338.375	-0.249	20	30		EBEDMM
CS(=O)(=O)Nc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001599759916	992107039	/nfs/dbraw/zinc/10/70/39/992107039.db2.gz	NGRZYGMEIWNEGA-UHFFFAOYSA-N	-1	1	326.334	-0.106	20	30		EBEDMM
CC#CC[N@H+]1CC[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001691162782	1125839447	/nfs/dbraw/zinc/83/94/47/1125839447.db2.gz	GZPVSLYYONAPES-GFCCVEGCSA-N	-1	1	328.376	-0.467	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)c1	ZINC001486312283	1127126005	/nfs/dbraw/zinc/12/60/05/1127126005.db2.gz	UALGNJHLKIECDF-LBPRGKRZSA-N	-1	1	330.348	-0.891	20	30		EBEDMM
C=CCOCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486666387	1127230575	/nfs/dbraw/zinc/23/05/75/1127230575.db2.gz	FSWDQULSMQKVPA-VHSXEESVSA-N	-1	1	348.363	-0.757	20	30		EBEDMM
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001092689647	1128264664	/nfs/dbraw/zinc/26/46/64/1128264664.db2.gz	PGOSVNGFDRDJCD-MCIONIFRSA-N	-1	1	346.435	-0.208	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ncccc2[O-])cn1	ZINC001488053624	1128552452	/nfs/dbraw/zinc/55/24/52/1128552452.db2.gz	OZBGOMDVBWPNND-ZDUSSCGKSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001488932188	1128887537	/nfs/dbraw/zinc/88/75/37/1128887537.db2.gz	JRQIPIZQQFGITH-NWDGAFQWSA-N	-1	1	349.391	-0.560	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])C1CCN(CC(=O)NCC#N)CC1	ZINC001490406300	1129176512	/nfs/dbraw/zinc/17/65/12/1129176512.db2.gz	WLWHZRSOBLGKNU-UHFFFAOYSA-N	-1	1	331.376	-0.037	20	30		EBEDMM
C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001412668895	1129588912	/nfs/dbraw/zinc/58/89/12/1129588912.db2.gz	DJQKNAKRIYORBR-DTWKUNHWSA-N	-1	1	331.336	-0.846	20	30		EBEDMM
CC[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)NC(=O)C#CC1CC1	ZINC001356904759	1130993598	/nfs/dbraw/zinc/99/35/98/1130993598.db2.gz	HBTRDPMDDRNYQY-JTQLQIEISA-N	-1	1	348.359	-0.066	20	30		EBEDMM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCc1nn[n-]n1	ZINC001362555499	1131609625	/nfs/dbraw/zinc/60/96/25/1131609625.db2.gz	GWWDENOOIKUQIK-LLVKDONJSA-N	-1	1	341.379	-0.079	20	30		EBEDMM
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1	ZINC000570060463	377203693	/nfs/dbraw/zinc/20/36/93/377203693.db2.gz	KLIKVIVFUJPJBN-UHFFFAOYSA-N	-1	1	347.422	-0.283	20	30		EBEDMM
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C	ZINC000491384829	379597797	/nfs/dbraw/zinc/59/77/97/379597797.db2.gz	PUFMSNPKXSOYBS-UHFFFAOYSA-N	-1	1	334.423	-0.289	20	30		EBEDMM
C#CCNC(=O)CN1CCCN(C(=O)c2ncc(C)cc2[O-])CC1	ZINC000490974321	379575867	/nfs/dbraw/zinc/57/58/67/379575867.db2.gz	ORDSEHFNJGOIII-UHFFFAOYSA-N	-1	1	330.388	-0.007	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000292988343	380494740	/nfs/dbraw/zinc/49/47/40/380494740.db2.gz	FUSYVJOAKSDDQM-ZJUUUORDSA-N	-1	1	328.398	-0.386	20	30		EBEDMM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000280518482	380935252	/nfs/dbraw/zinc/93/52/52/380935252.db2.gz	DPKGYPHZVIGGBJ-CMPLNLGQSA-N	-1	1	343.405	-0.657	20	30		EBEDMM
C=C[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000646602492	420676189	/nfs/dbraw/zinc/67/61/89/420676189.db2.gz	RHIQOCTZBSXIOU-LBPRGKRZSA-N	-1	1	342.373	-0.102	20	30		EBEDMM
COc1c([O-])c(C=NNC(=S)NCC(N)=O)ccc1[N+](=O)[O-]	ZINC000773055586	583368812	/nfs/dbraw/zinc/36/88/12/583368812.db2.gz	ZDJQTKNLPKFWDJ-UHFFFAOYSA-N	-1	1	327.322	-0.408	20	30		EBEDMM
COCCN(CCC#N)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000807007267	583656710	/nfs/dbraw/zinc/65/67/10/583656710.db2.gz	BDOPDIPEHFUIGG-UHFFFAOYSA-N	-1	1	330.348	-0.331	20	30		EBEDMM
C#CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819697551	583759706	/nfs/dbraw/zinc/75/97/06/583759706.db2.gz	HVUXMNLIUORGBD-LLVKDONJSA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C#CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819697551	583759709	/nfs/dbraw/zinc/75/97/09/583759709.db2.gz	HVUXMNLIUORGBD-LLVKDONJSA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C=CCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819751086	583760624	/nfs/dbraw/zinc/76/06/24/583760624.db2.gz	OVFQNUITJZILFG-NSHDSACASA-N	-1	1	344.379	-0.104	20	30		EBEDMM
C=CCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819751086	583760625	/nfs/dbraw/zinc/76/06/25/583760625.db2.gz	OVFQNUITJZILFG-NSHDSACASA-N	-1	1	344.379	-0.104	20	30		EBEDMM
C#CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1	ZINC000823845483	583837824	/nfs/dbraw/zinc/83/78/24/583837824.db2.gz	USDDWMLJMIJKRA-UHFFFAOYSA-N	-1	1	330.352	-0.104	20	30		EBEDMM
C#CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1	ZINC000823845483	583837825	/nfs/dbraw/zinc/83/78/25/583837825.db2.gz	USDDWMLJMIJKRA-UHFFFAOYSA-N	-1	1	330.352	-0.104	20	30		EBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C)(C#N)CC2)n(C)c1=O	ZINC000826355844	583893258	/nfs/dbraw/zinc/89/32/58/583893258.db2.gz	PMAAYLPFVHDGAU-UHFFFAOYSA-N	-1	1	330.352	-0.606	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCc1nnnn1-c1ccccc1	ZINC000826382552	583895671	/nfs/dbraw/zinc/89/56/71/583895671.db2.gz	JLHPFQUOTJMQFR-UHFFFAOYSA-N	-1	1	348.334	-0.265	20	30		EBEDMM
N#CCc1ccc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)cc1	ZINC000826382672	583895758	/nfs/dbraw/zinc/89/57/58/583895758.db2.gz	PQBVKJQEZJNZPW-NSHDSACASA-N	-1	1	326.320	-0.036	20	30		EBEDMM
N#Cc1ncn(CCNS(=O)(=O)c2ccccc2)c1-c1nn[n-]n1	ZINC000826388294	583896082	/nfs/dbraw/zinc/89/60/82/583896082.db2.gz	QPNUKFYXBKKSTE-UHFFFAOYSA-N	-1	1	344.360	-0.087	20	30		EBEDMM
C#CC[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)OC	ZINC000841539708	584053763	/nfs/dbraw/zinc/05/37/63/584053763.db2.gz	FEJGCXKDVKTING-QWRGUYRKSA-N	-1	1	332.378	-0.587	20	30		EBEDMM
C=C1[C@H](C(=O)NOC[C@@H]2CCOC2)[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1	ZINC000907665613	650088241	/nfs/dbraw/zinc/08/82/41/650088241.db2.gz	INYBWBCHHWHVLU-SYQHCUMBSA-N	-1	1	340.376	-0.043	20	30		EBEDMM
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1C(=O)NOC[C@@H]1CCOC1	ZINC000907665613	650088243	/nfs/dbraw/zinc/08/82/43/650088243.db2.gz	INYBWBCHHWHVLU-SYQHCUMBSA-N	-1	1	340.376	-0.043	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000965916932	724539975	/nfs/dbraw/zinc/53/99/75/724539975.db2.gz	NBISKVXVMOHABB-ZWNOBZJWSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969513237	725187050	/nfs/dbraw/zinc/18/70/50/725187050.db2.gz	AYNOQSUYTQZZKH-VIFPVBQESA-N	-1	1	329.364	-0.442	20	30		EBEDMM
N#Cc1cncc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001051682291	735320181	/nfs/dbraw/zinc/32/01/81/735320181.db2.gz	OOTPYSRBWFPMNM-YPMHNXCESA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C#CCN1CCC(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001006146885	726757096	/nfs/dbraw/zinc/75/70/96/726757096.db2.gz	JWVHRWDENOCQOY-UHFFFAOYSA-N	-1	1	328.376	-0.373	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001006467554	726770353	/nfs/dbraw/zinc/77/03/53/726770353.db2.gz	LDBGMHFSVDURBX-BDAKNGLRSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001026375749	730141490	/nfs/dbraw/zinc/14/14/90/730141490.db2.gz	XUDQMDUOHMBXRY-YNEHKIRRSA-N	-1	1	331.376	-0.723	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001028490627	730299366	/nfs/dbraw/zinc/29/93/66/730299366.db2.gz	NFBVWBSUVNJVDF-SNVBAGLBSA-N	-1	1	329.364	-0.440	20	30		EBEDMM
C#Cc1ccccc1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031313842	730700594	/nfs/dbraw/zinc/70/05/94/730700594.db2.gz	YLAAKDCPOJRAOG-UHFFFAOYSA-N	-1	1	325.372	-0.367	20	30		EBEDMM
C#CCCN1CC[C@@H](N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001033510901	731033819	/nfs/dbraw/zinc/03/38/19/731033819.db2.gz	ZISJNDBSLQKPIN-GFCCVEGCSA-N	-1	1	328.376	-0.373	20	30		EBEDMM
CC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@H]1NCC#N	ZINC001037945188	731273933	/nfs/dbraw/zinc/27/39/33/731273933.db2.gz	JACHZBKQSAMTHB-CHWSQXEVSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
CC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@@H]1NCC#N	ZINC001037965377	731275340	/nfs/dbraw/zinc/27/53/40/731275340.db2.gz	JYBPNWBLWBNDLA-MNOVXSKESA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039722575	731506714	/nfs/dbraw/zinc/50/67/14/731506714.db2.gz	XDAIMYAJSXEGFW-SJCJKPOMSA-N	-1	1	347.371	-0.481	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1	ZINC001042313744	732404660	/nfs/dbraw/zinc/40/46/60/732404660.db2.gz	VWHQUFWEAZWAAP-ZJUUUORDSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3ncccc3[O-])C2)[nH]1	ZINC001042609299	732496634	/nfs/dbraw/zinc/49/66/34/732496634.db2.gz	TVDLRDYJEPVGIO-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001042806885	732595049	/nfs/dbraw/zinc/59/50/49/732595049.db2.gz	MFXBWLWWPDZLFP-HNNXBMFYSA-N	-1	1	335.360	-0.583	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001044205802	733327167	/nfs/dbraw/zinc/32/71/67/733327167.db2.gz	IYSGMGYPFFICMU-UHFFFAOYSA-N	-1	1	326.360	-0.559	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001045554867	733722976	/nfs/dbraw/zinc/72/29/76/733722976.db2.gz	LEYWIHPDMHIRSC-SECBINFHSA-N	-1	1	345.359	-0.478	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048721878	734482638	/nfs/dbraw/zinc/48/26/38/734482638.db2.gz	AXNAXFWOSIVDRV-OBJOEFQTSA-N	-1	1	347.371	-0.531	20	30		EBEDMM
C#CCCN1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051210502	735100100	/nfs/dbraw/zinc/10/01/00/735100100.db2.gz	WJLYBNUKBPCHGQ-JTQLQIEISA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C=CCN1CC2(C1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CCO2	ZINC001053474251	735889021	/nfs/dbraw/zinc/88/90/21/735889021.db2.gz	HKTLHQAUAMIHJK-UHFFFAOYSA-N	-1	1	334.376	-0.974	20	30		EBEDMM
N#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001054227018	736180287	/nfs/dbraw/zinc/18/02/87/736180287.db2.gz	HRMHYHDETUTPFH-INIZCTEOSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057450408	737258549	/nfs/dbraw/zinc/25/85/49/737258549.db2.gz	QCLZDWKTRGIXGZ-INIZCTEOSA-N	-1	1	337.376	-0.335	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001057622341	737364930	/nfs/dbraw/zinc/36/49/30/737364930.db2.gz	FBZKXGFPSYHOGQ-SNVBAGLBSA-N	-1	1	347.375	-0.230	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001058873962	738048210	/nfs/dbraw/zinc/04/82/10/738048210.db2.gz	JSQLQAGXJUFNLC-OCCSQVGLSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074184	739510940	/nfs/dbraw/zinc/51/09/40/739510940.db2.gz	UEPUEWCDPMDAPG-OLZOCXBDSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
N#Cc1cncc(N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001067665332	740178130	/nfs/dbraw/zinc/17/81/30/740178130.db2.gz	MZDNWMOYFCQVIU-ZWNOBZJWSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1	ZINC001071013802	741036294	/nfs/dbraw/zinc/03/62/94/741036294.db2.gz	NSKCSLWYBVRKDL-RKDXNWHRSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2	ZINC001071234028	741096627	/nfs/dbraw/zinc/09/66/27/741096627.db2.gz	RPTMJWJCRMOFRR-ABAIWWIYSA-N	-1	1	335.364	-0.986	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](C)C1	ZINC001071786830	741216423	/nfs/dbraw/zinc/21/64/23/741216423.db2.gz	JNPOKQYPDZMFJJ-STQMWFEESA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C#CCN1CCO[C@@H]2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C[C@H]21	ZINC001074382419	741921559	/nfs/dbraw/zinc/92/15/59/741921559.db2.gz	KVSSYICEKUMOBI-GHMZBOCLSA-N	-1	1	348.359	-0.555	20	30		EBEDMM
C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001075918010	742328348	/nfs/dbraw/zinc/32/83/48/742328348.db2.gz	RRXDRNDQUQQZTJ-JTQLQIEISA-N	-1	1	348.363	-0.755	20	30		EBEDMM
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1	ZINC001076366845	742448732	/nfs/dbraw/zinc/44/87/32/742448732.db2.gz	KLHUTIHVCWTTPZ-UONOGXRCSA-N	-1	1	330.388	-0.517	20	30		EBEDMM
C=CCCC(=O)N[C@@H](C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001077402067	742955918	/nfs/dbraw/zinc/95/59/18/742955918.db2.gz	ARJSOSWHSGLQJB-LBPRGKRZSA-N	-1	1	336.392	-0.096	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000978041093	804629468	/nfs/dbraw/zinc/62/94/68/804629468.db2.gz	ABGVJRMSXWNMHI-ZJUUUORDSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@@H]1C	ZINC000989043229	808355024	/nfs/dbraw/zinc/35/50/24/808355024.db2.gz	KWMIPLUIDFJAKR-YIZRAAEISA-N	-1	1	349.347	-0.225	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)nn1	ZINC000989535739	808497645	/nfs/dbraw/zinc/49/76/45/808497645.db2.gz	FJJAJJJXBRPANB-UWVGGRQHSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
C=C(C)CN1CCO[C@@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035572804	810922271	/nfs/dbraw/zinc/92/22/71/810922271.db2.gz	FQFXWQIYDIAWOR-JTQLQIEISA-N	-1	1	338.364	-0.097	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCN2CC#N)C1	ZINC001036870385	811298060	/nfs/dbraw/zinc/29/80/60/811298060.db2.gz	UDONGLCTDGJPLE-VHSXEESVSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
COCC#CCN1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001223725973	811727016	/nfs/dbraw/zinc/72/70/16/811727016.db2.gz	CQKJMHYIVHHPGM-UHFFFAOYSA-N	-1	1	335.364	-0.626	20	30		EBEDMM
O=C1N=C(O[C@H]2C=CCCC2)C(N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1	ZINC001227473446	811924809	/nfs/dbraw/zinc/92/48/09/811924809.db2.gz	KLAFJYWTILNKCE-LURJTMIESA-N	-1	1	347.287	-0.186	20	30		EBEDMM
C=CC[C@@H](C=C)Oc1[nH]c(=O)[nH]c(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227475587	811924873	/nfs/dbraw/zinc/92/48/73/811924873.db2.gz	IMHPUEZMZSNXLN-ZCFIWIBFSA-N	-1	1	347.287	-0.164	20	30		EBEDMM
C#CCCN1C[C@@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001080636860	812105553	/nfs/dbraw/zinc/10/55/53/812105553.db2.gz	WHYMCMNRJBPFAI-DGCLKSJQSA-N	-1	1	328.376	-0.469	20	30		EBEDMM
C=C[C@@H]1C[C@]1(NC[C@@H](O)COC(C)C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001252694537	812664076	/nfs/dbraw/zinc/66/40/76/812664076.db2.gz	GRSQNWZSADXYGH-LALPHHSUSA-N	-1	1	346.449	-0.085	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424787	812912825	/nfs/dbraw/zinc/91/28/25/812912825.db2.gz	JPAUTNJYBHRBRU-WCQYABFASA-N	-1	1	335.360	-0.461	20	30		EBEDMM
C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081569763	813204241	/nfs/dbraw/zinc/20/42/41/813204241.db2.gz	SYYXQOHGIZZGGX-OCCSQVGLSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
CC#CCN1CCN(CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001265245991	813272433	/nfs/dbraw/zinc/27/24/33/813272433.db2.gz	BCNCZGKDCQHWSY-UHFFFAOYSA-N	-1	1	334.380	-0.956	20	30		EBEDMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCCN(CC#N)C1	ZINC001265707977	813362356	/nfs/dbraw/zinc/36/23/56/813362356.db2.gz	HZDZIJDSAYUAFM-OLZOCXBDSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)nc1	ZINC001268255016	814161632	/nfs/dbraw/zinc/16/16/32/814161632.db2.gz	KUDVUGZLOSCTGQ-UHFFFAOYSA-N	-1	1	328.376	-0.311	20	30		EBEDMM
C#CCN1CC2(CN(C(=O)c3c([O-])c(C)ncc3CO)C2)OCC1=O	ZINC001269419074	814684451	/nfs/dbraw/zinc/68/44/51/814684451.db2.gz	HWIBBUOZDLNQHB-UHFFFAOYSA-N	-1	1	345.355	-0.725	20	30		EBEDMM
N#CC1(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)Cc2nn[n-]n2)C3)CCC1	ZINC001270787975	815890633	/nfs/dbraw/zinc/89/06/33/815890633.db2.gz	CMPYHGFGRJJPEA-GNXNZQSNSA-N	-1	1	343.391	-0.211	20	30		EBEDMM
C=CCN1C(=O)COCC12CN(C(=O)c1c[nH]c(=S)[n-]c1=O)C2	ZINC001271556732	816141127	/nfs/dbraw/zinc/14/11/27/816141127.db2.gz	WNKPJROHYJHUBR-UHFFFAOYSA-N	-1	1	336.373	-0.290	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001085810274	816152470	/nfs/dbraw/zinc/15/24/70/816152470.db2.gz	ZJYZYPFMEGYPMV-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C=CCn1cc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001085861632	816165175	/nfs/dbraw/zinc/16/51/75/816165175.db2.gz	CEGVOBXJIMDRGG-LLVKDONJSA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C#CCN1CC2(CN(C(=O)c3cnc(SC)[n-]c3=O)C2)OCC1=O	ZINC001272233765	816361997	/nfs/dbraw/zinc/36/19/97/816361997.db2.gz	JEEOCENZOFLTLE-UHFFFAOYSA-N	-1	1	348.384	-0.409	20	30		EBEDMM
Cc1nc[nH]c(=O)c1C(=O)N(C)CCCN(C)CC(=O)NCC#N	ZINC001273547933	816693923	/nfs/dbraw/zinc/69/39/23/816693923.db2.gz	KOXQAXCRGSEDRD-UHFFFAOYSA-N	-1	1	334.380	-0.476	20	30		EBEDMM
C#CCOCCC(=O)NC[C@H](C)N(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001275828231	817300447	/nfs/dbraw/zinc/30/04/47/817300447.db2.gz	VNTPKFNRDGMAEO-ZDUSSCGKSA-N	-1	1	345.403	-0.001	20	30		EBEDMM
CC#CCN1CC=C(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001279654429	817964222	/nfs/dbraw/zinc/96/42/22/817964222.db2.gz	VLCRGUCHAYUNLA-UHFFFAOYSA-N	-1	1	340.387	-0.157	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001281555109	818217308	/nfs/dbraw/zinc/21/73/08/818217308.db2.gz	FDALUDAFHFKNDY-ZDUSSCGKSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)nn1	ZINC001282204606	818375764	/nfs/dbraw/zinc/37/57/64/818375764.db2.gz	RRYRNBBWRSGLAE-UWVGGRQHSA-N	-1	1	334.384	-0.026	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccncc1C#N	ZINC001097950589	819061851	/nfs/dbraw/zinc/06/18/51/819061851.db2.gz	RLTMYPQZWRUNMC-SECBINFHSA-N	-1	1	338.331	-0.663	20	30		EBEDMM
C#CCCCC(=O)NCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284513876	819265462	/nfs/dbraw/zinc/26/54/62/819265462.db2.gz	RFYBZRUNXYBXNN-UHFFFAOYSA-N	-1	1	334.376	-0.695	20	30		EBEDMM
C[C@H](CNC(=O)C#CC1CC1)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285224764	819517043	/nfs/dbraw/zinc/51/70/43/819517043.db2.gz	VRKCGMIKTBMAKG-SNVBAGLBSA-N	-1	1	342.359	-0.687	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)C#CC1CC1	ZINC001285641789	819704001	/nfs/dbraw/zinc/70/40/01/819704001.db2.gz	XQAYKGHRMZFRFA-SECBINFHSA-N	-1	1	328.332	-0.935	20	30		EBEDMM
CC(C)C#CC(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285642025	819704131	/nfs/dbraw/zinc/70/41/31/819704131.db2.gz	OHWJDKKEINKKIT-GFCCVEGCSA-N	-1	1	334.376	-0.793	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099848359	819776855	/nfs/dbraw/zinc/77/68/55/819776855.db2.gz	UWZCCRZNVXGPMI-KBPBESRZSA-N	-1	1	349.435	-0.072	20	30		EBEDMM
C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099849742	819778441	/nfs/dbraw/zinc/77/84/41/819778441.db2.gz	IVSRTOPQFMZMQX-NWDGAFQWSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C#CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1	ZINC001099874211	819814358	/nfs/dbraw/zinc/81/43/58/819814358.db2.gz	HVKPYTZOVCURIP-STQMWFEESA-N	-1	1	347.419	-0.647	20	30		EBEDMM
C#CCN(C(=O)C(N)=O)C1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001286053032	819885222	/nfs/dbraw/zinc/88/52/22/819885222.db2.gz	YQPLERBTYUBQHD-UHFFFAOYSA-N	-1	1	330.344	-0.661	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1	ZINC001099999526	820008808	/nfs/dbraw/zinc/00/88/08/820008808.db2.gz	YUTGPLAQDRGANL-CHWSQXEVSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNC(=O)C#CC(C)C	ZINC001295481253	821100854	/nfs/dbraw/zinc/10/08/54/821100854.db2.gz	WEQCUMIXWZXKHN-SECBINFHSA-N	-1	1	336.348	-0.210	20	30		EBEDMM
C[C@H](CNc1nccnc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107836912	823993924	/nfs/dbraw/zinc/99/39/24/823993924.db2.gz	CNCBZQHNSNJGDY-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@H](CNc1ncccc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107837760	823994972	/nfs/dbraw/zinc/99/49/72/823994972.db2.gz	XUQJTCUEJSAUAU-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107844351	823997025	/nfs/dbraw/zinc/99/70/25/823997025.db2.gz	ZLQFDODJGFHIEF-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
N#CCNC[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001112563000	825457231	/nfs/dbraw/zinc/45/72/31/825457231.db2.gz	ZXRWQJWHXJQXTN-ZBEGNZNMSA-N	-1	1	341.375	-0.227	20	30		EBEDMM
C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113161560	825779434	/nfs/dbraw/zinc/77/94/34/825779434.db2.gz	DKHZZEJANIHTIQ-MRXNPFEDSA-N	-1	1	337.424	-0.019	20	30		EBEDMM
C=CCSCC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001180561598	833091790	/nfs/dbraw/zinc/09/17/90/833091790.db2.gz	PZJPZSUTSLQZQX-NSHDSACASA-N	-1	1	340.405	-0.053	20	30		EBEDMM
C[C@@H]1NC(=O)[C@H](CCC(=O)N([O-])C(=N)c2ccccc2N)NC1=O	ZINC001184091356	833320087	/nfs/dbraw/zinc/32/00/87/833320087.db2.gz	YIFKANSICAJBCS-KWQFWETISA-N	-1	1	333.348	-0.405	20	30		EBEDMM
C[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@@H]1CNCC#N	ZINC001185318206	833355401	/nfs/dbraw/zinc/35/54/01/833355401.db2.gz	VBDCWCKJPAJSSE-QWHCGFSZSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001132042847	829312499	/nfs/dbraw/zinc/31/24/99/829312499.db2.gz	ZHTOMIIYTAGUJJ-CHWSQXEVSA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1CNCC#N	ZINC001133171476	829596855	/nfs/dbraw/zinc/59/68/55/829596855.db2.gz	ZKAMKQJSGNMABO-CHWSQXEVSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
C[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CNCC#N	ZINC001133241243	829610439	/nfs/dbraw/zinc/61/04/39/829610439.db2.gz	GJOAURQBUWMKRT-WDEREUQCSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147530954	830356898	/nfs/dbraw/zinc/35/68/98/830356898.db2.gz	SUONXCYXZKBTRE-LBPRGKRZSA-N	-1	1	333.392	-0.819	20	30		EBEDMM
C#CCNC(=O)C1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1	ZINC001155494730	831409212	/nfs/dbraw/zinc/40/92/12/831409212.db2.gz	PQZLMSGODXFSRV-UHFFFAOYSA-N	-1	1	334.332	-0.502	20	30		EBEDMM
CN(CC#N)C[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001158616347	831670314	/nfs/dbraw/zinc/67/03/14/831670314.db2.gz	OVWSMUUMQHNALH-CYBMUJFWSA-N	-1	1	333.392	-0.237	20	30		EBEDMM
Cn1nnc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)n1	ZINC001161802476	831993378	/nfs/dbraw/zinc/99/33/78/831993378.db2.gz	XRXOCXQTGGSSGI-UHFFFAOYSA-N	-1	1	330.304	-0.272	20	30		EBEDMM
C=C[C@@H]1C[C@]1(N[C@@H]1CCN(C(C)=O)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001169511570	832466086	/nfs/dbraw/zinc/46/60/86/832466086.db2.gz	XJPNEGAKVARMSE-LALPHHSUSA-N	-1	1	341.433	-0.250	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@@H]1CCCN(c2ccncn2)C1	ZINC001178123203	832829430	/nfs/dbraw/zinc/82/94/30/832829430.db2.gz	JIQMESYUTFOODV-MRVPVSSYSA-N	-1	1	332.324	-0.098	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200478670	835971487	/nfs/dbraw/zinc/97/14/87/835971487.db2.gz	LDGAAPUMWFBNOU-NEPJUHHUSA-N	-1	1	337.380	-0.744	20	30		EBEDMM
Cn1cnc2cc(C(=O)N([O-])C(=N)c3nonc3N)ccc2c1=O	ZINC001201330572	836129823	/nfs/dbraw/zinc/12/98/23/836129823.db2.gz	SBIZTUUUCRXVIO-UHFFFAOYSA-N	-1	1	329.276	-0.244	20	30		EBEDMM
N#CCN[C@H]1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C12CCC2	ZINC001203500117	836438997	/nfs/dbraw/zinc/43/89/97/836438997.db2.gz	NOBLBCWZFOSNNP-NWDGAFQWSA-N	-1	1	331.376	-0.533	20	30		EBEDMM
COCC#CCNC[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001320294244	838748202	/nfs/dbraw/zinc/74/82/02/838748202.db2.gz	BBIRAVHGYSKZBI-JTQLQIEISA-N	-1	1	334.332	-0.742	20	30		EBEDMM
COCC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001325897755	839968484	/nfs/dbraw/zinc/96/84/84/839968484.db2.gz	KRZXXEVOXPQTSN-NEPJUHHUSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C=CCC(C)(C)C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001348990975	843785064	/nfs/dbraw/zinc/78/50/64/843785064.db2.gz	XXZTUICZYGZPTR-UHFFFAOYSA-N	-1	1	336.392	-0.239	20	30		EBEDMM
C#CCCCC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573285299	946773345	/nfs/dbraw/zinc/77/33/45/946773345.db2.gz	VNPPWNSHLJEUJB-NSHDSACASA-N	-1	1	344.379	-0.309	20	30		EBEDMM
C#CCCCC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573285299	946773356	/nfs/dbraw/zinc/77/33/56/946773356.db2.gz	VNPPWNSHLJEUJB-NSHDSACASA-N	-1	1	344.379	-0.309	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573287249	946831523	/nfs/dbraw/zinc/83/15/23/946831523.db2.gz	MQRYYGXNCYJHCJ-ZJUUUORDSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573287249	946831535	/nfs/dbraw/zinc/83/15/35/946831535.db2.gz	MQRYYGXNCYJHCJ-ZJUUUORDSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573287245	946832454	/nfs/dbraw/zinc/83/24/54/946832454.db2.gz	MQRYYGXNCYJHCJ-NXEZZACHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573287245	946832471	/nfs/dbraw/zinc/83/24/71/946832471.db2.gz	MQRYYGXNCYJHCJ-NXEZZACHSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1	ZINC001573560375	946951935	/nfs/dbraw/zinc/95/19/35/946951935.db2.gz	BJCWKZCGLQCCIW-UWVGGRQHSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560811	946955011	/nfs/dbraw/zinc/95/50/11/946955011.db2.gz	GIRVVCZGLJTPAW-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560811	946955018	/nfs/dbraw/zinc/95/50/18/946955018.db2.gz	GIRVVCZGLJTPAW-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573560969	946959616	/nfs/dbraw/zinc/95/96/16/946959616.db2.gz	IFSGKXLPKIMLMM-NXEZZACHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573560969	946959622	/nfs/dbraw/zinc/95/96/22/946959622.db2.gz	IFSGKXLPKIMLMM-NXEZZACHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561373	946962536	/nfs/dbraw/zinc/96/25/36/946962536.db2.gz	JVJCCPZITGCRMY-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561373	946962547	/nfs/dbraw/zinc/96/25/47/946962547.db2.gz	JVJCCPZITGCRMY-SECBINFHSA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1	ZINC001573563553	946982735	/nfs/dbraw/zinc/98/27/35/946982735.db2.gz	AMTVFQBIFXNTQT-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1	ZINC001573563553	946982744	/nfs/dbraw/zinc/98/27/44/946982744.db2.gz	AMTVFQBIFXNTQT-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564102	946987413	/nfs/dbraw/zinc/98/74/13/946987413.db2.gz	FRWGZTBWTDDTFO-MNOVXSKESA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564103	946988249	/nfs/dbraw/zinc/98/82/49/946988249.db2.gz	FRWGZTBWTDDTFO-QWRGUYRKSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1	ZINC001573565747	947013090	/nfs/dbraw/zinc/01/30/90/947013090.db2.gz	VJRZQPLMNZUFQU-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1	ZINC001573565747	947013095	/nfs/dbraw/zinc/01/30/95/947013095.db2.gz	VJRZQPLMNZUFQU-GARJFASQSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1	ZINC001573569650	947076333	/nfs/dbraw/zinc/07/63/33/947076333.db2.gz	CWEQKAMKKFBXNP-GARJFASQSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1	ZINC001573569650	947076343	/nfs/dbraw/zinc/07/63/43/947076343.db2.gz	CWEQKAMKKFBXNP-GARJFASQSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1	ZINC001573570470	947088348	/nfs/dbraw/zinc/08/83/48/947088348.db2.gz	PVFHLOSHSNRYCE-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1	ZINC001573570470	947088359	/nfs/dbraw/zinc/08/83/59/947088359.db2.gz	PVFHLOSHSNRYCE-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573571081	947098472	/nfs/dbraw/zinc/09/84/72/947098472.db2.gz	YYAOMZJGMOLCCR-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573571081	947098484	/nfs/dbraw/zinc/09/84/84/947098484.db2.gz	YYAOMZJGMOLCCR-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573572307	947111096	/nfs/dbraw/zinc/11/10/96/947111096.db2.gz	GUNLHEGQKAVNIA-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573442	947121133	/nfs/dbraw/zinc/12/11/33/947121133.db2.gz	NGZWCSSCHCXODR-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573442	947121143	/nfs/dbraw/zinc/12/11/43/947121143.db2.gz	NGZWCSSCHCXODR-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573575908	947145323	/nfs/dbraw/zinc/14/53/23/947145323.db2.gz	BSIOLPGFRAMLBZ-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573583740	947208241	/nfs/dbraw/zinc/20/82/41/947208241.db2.gz	OGYBPWRDKUHAEZ-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573583740	947208248	/nfs/dbraw/zinc/20/82/48/947208248.db2.gz	OGYBPWRDKUHAEZ-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573584074	947211176	/nfs/dbraw/zinc/21/11/76/947211176.db2.gz	QFAZTRQAUVJWNS-ZJUUUORDSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573584074	947211185	/nfs/dbraw/zinc/21/11/85/947211185.db2.gz	QFAZTRQAUVJWNS-ZJUUUORDSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C	ZINC001573585201	947248696	/nfs/dbraw/zinc/24/86/96/947248696.db2.gz	CYBQVVHFVMQESA-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C	ZINC001573585201	947248706	/nfs/dbraw/zinc/24/87/06/947248706.db2.gz	CYBQVVHFVMQESA-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O	ZINC001573327240	947384500	/nfs/dbraw/zinc/38/45/00/947384500.db2.gz	ARAQPDRAZSQQBY-MNOVXSKESA-N	-1	1	330.352	-0.711	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O	ZINC001573327240	947384513	/nfs/dbraw/zinc/38/45/13/947384513.db2.gz	ARAQPDRAZSQQBY-MNOVXSKESA-N	-1	1	330.352	-0.711	20	30		EBEDMM
C=CCOCC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573344048	947569683	/nfs/dbraw/zinc/56/96/83/947569683.db2.gz	XIWMFGQMMFZXTK-UHFFFAOYSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
CC(=O)NC[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001570926602	948693463	/nfs/dbraw/zinc/69/34/63/948693463.db2.gz	BGTCYLFWBUDHPD-SNVBAGLBSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
C[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001570936050	949010416	/nfs/dbraw/zinc/01/04/16/949010416.db2.gz	XQTDWXHHSNIHHI-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
N#Cc1ccc(N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)nc1	ZINC001570936103	949013130	/nfs/dbraw/zinc/01/31/30/949013130.db2.gz	VGEQGEPBGWMKEI-UHFFFAOYSA-N	-1	1	337.303	-0.543	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H](C(=O)[O-])C(C)C)c1ccn[nH]1	ZINC001590648220	950959085	/nfs/dbraw/zinc/95/90/85/950959085.db2.gz	BJYKKPJFYGZLTP-NSHDSACASA-N	-1	1	340.336	-0.081	20	30		EBEDMM
C#CC[NH+]1CCC(NS(=O)(=O)c2n[n-]c(C)c2C(=O)[O-])CC1	ZINC001588476059	983510195	/nfs/dbraw/zinc/51/01/95/983510195.db2.gz	LEYVYXOMADUTAB-UHFFFAOYSA-N	-1	1	326.378	-0.208	20	30		EBEDMM
C=CCCOCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001588810544	984267995	/nfs/dbraw/zinc/26/79/95/984267995.db2.gz	WZLKJIZVTYZGTC-UHFFFAOYSA-N	-1	1	341.408	-0.297	20	30		EBEDMM
C=CCOC[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001588867218	984431091	/nfs/dbraw/zinc/43/10/91/984431091.db2.gz	WKHQZBAYWAKMJY-SECBINFHSA-N	-1	1	326.396	-0.262	20	30		EBEDMM
C=CCOCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001588868992	984437216	/nfs/dbraw/zinc/43/72/16/984437216.db2.gz	JPMPZKJSYXOBKB-UHFFFAOYSA-N	-1	1	327.381	-0.687	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1C(=O)[O-])c1cc[nH]n1	ZINC001596628775	984608246	/nfs/dbraw/zinc/60/82/46/984608246.db2.gz	JUIBHKMUVHVAAI-SNVBAGLBSA-N	-1	1	338.320	-0.231	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cc[nH]n1	ZINC001596629193	984610650	/nfs/dbraw/zinc/61/06/50/984610650.db2.gz	NPRKQENVUGWLKO-SECBINFHSA-N	-1	1	338.320	-0.373	20	30		EBEDMM
CC#CC[N@H+]1CC[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001691162783	1125839288	/nfs/dbraw/zinc/83/92/88/1125839288.db2.gz	GZPVSLYYONAPES-LBPRGKRZSA-N	-1	1	328.376	-0.467	20	30		EBEDMM
CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Cc1ccc(F)c(C#N)c1	ZINC001480940744	1125886572	/nfs/dbraw/zinc/88/65/72/1125886572.db2.gz	SKYNCGBLKQWKQK-UHFFFAOYSA-N	-1	1	348.338	-0.052	20	30		EBEDMM
C#CCN(C(=O)[C@H](C)OC)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001483981393	1126495176	/nfs/dbraw/zinc/49/51/76/1126495176.db2.gz	VMWYXKLPZPWYAT-LBPRGKRZSA-N	-1	1	335.408	-0.431	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C	ZINC001488145378	1128634525	/nfs/dbraw/zinc/63/45/25/1128634525.db2.gz	SDYQEEVERDVXBX-STQMWFEESA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001412668896	1129589491	/nfs/dbraw/zinc/58/94/91/1129589491.db2.gz	DJQKNAKRIYORBR-IUCAKERBSA-N	-1	1	331.336	-0.846	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@]23COCCN2C(=O)COC3)o1	ZINC001413411158	1130076041	/nfs/dbraw/zinc/07/60/41/1130076041.db2.gz	RQVOOITWHJNXCL-ZDUSSCGKSA-N	-1	1	341.345	-0.943	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001491306595	1130393474	/nfs/dbraw/zinc/39/34/74/1130393474.db2.gz	ZNRAJZOXAOXGLB-SNVBAGLBSA-N	-1	1	332.360	-0.056	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001358604922	1131225509	/nfs/dbraw/zinc/22/55/09/1131225509.db2.gz	HPULCAWCJPVDQQ-NSHDSACASA-N	-1	1	340.343	-0.838	20	30		EBEDMM
N#Cc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc1[O-]	ZINC001363167938	1131811960	/nfs/dbraw/zinc/81/19/60/1131811960.db2.gz	OIDIZMRCSSZBJJ-MRXNPFEDSA-N	-1	1	331.328	-0.379	20	30		EBEDMM
CCOC(=O)N1C[C@@H](CO)[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC001365746523	1132789500	/nfs/dbraw/zinc/78/95/00/1132789500.db2.gz	GBAWORIBJQLETN-ONGXEEELSA-N	-1	1	343.361	-0.121	20	30		EBEDMM
O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000363874048	377503073	/nfs/dbraw/zinc/50/30/73/377503073.db2.gz	HKBVTVINEOQIJO-CYBMUJFWSA-N	-1	1	327.300	-0.120	20	30		EBEDMM
C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000182008769	377489499	/nfs/dbraw/zinc/48/94/99/377489499.db2.gz	GJVUOWRFESKWDD-IINYFYTJSA-N	-1	1	340.405	-0.165	20	30		EBEDMM
C=CCCSCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000594814992	377955496	/nfs/dbraw/zinc/95/54/96/377955496.db2.gz	ICANTYYAMICDHZ-UHFFFAOYSA-N	-1	1	333.435	-0.328	20	30		EBEDMM
COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000336936065	378586030	/nfs/dbraw/zinc/58/60/30/378586030.db2.gz	FTGMBLXYLPCEEL-JGVFFNPUSA-N	-1	1	345.299	-0.461	20	30		EBEDMM
CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000600726611	379226997	/nfs/dbraw/zinc/22/69/97/379226997.db2.gz	IGUDMGWJGZVGPE-GFCCVEGCSA-N	-1	1	339.373	-0.346	20	30		EBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC	ZINC000360618353	380266080	/nfs/dbraw/zinc/26/60/80/380266080.db2.gz	ISKSGFGCVLOOIN-GRYCIOLGSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1	ZINC000583575135	381514784	/nfs/dbraw/zinc/51/47/84/381514784.db2.gz	UFWVRWLRCKTQSE-ZDUSSCGKSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1[O-]	ZINC000442650375	268197377	/nfs/dbraw/zinc/19/73/77/268197377.db2.gz	LOATYDSYDAUCOA-UHFFFAOYSA-N	-1	1	332.360	-0.558	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1cnc(-c2nnn[n-]2)cn1	ZINC000736796810	582957523	/nfs/dbraw/zinc/95/75/23/582957523.db2.gz	BIQPPCLMSIGGQV-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1cnc(-c2nn[n-]n2)cn1	ZINC000736796810	582957525	/nfs/dbraw/zinc/95/75/25/582957525.db2.gz	BIQPPCLMSIGGQV-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
CC(=NNC1=NC(=O)C(=O)N1)c1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000765591700	583284805	/nfs/dbraw/zinc/28/48/05/583284805.db2.gz	DEYOKEHMWJMXGZ-UHFFFAOYSA-N	-1	1	345.359	-0.450	20	30		EBEDMM
CN1CCN(C[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2)CC1	ZINC000820626558	583776450	/nfs/dbraw/zinc/77/64/50/583776450.db2.gz	QBVKKCQMOMTGAV-CZUORRHYSA-N	-1	1	338.408	-0.534	20	30		EBEDMM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822805765	583818049	/nfs/dbraw/zinc/81/80/49/583818049.db2.gz	CJJREUFCBQHUIB-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
Cc1onc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1-c1nnn[n-]1	ZINC000826344841	583892564	/nfs/dbraw/zinc/89/25/64/583892564.db2.gz	UDPMNKZYRWIXRL-LLVKDONJSA-N	-1	1	342.363	-0.096	20	30		EBEDMM
Cc1onc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1-c1nn[n-]n1	ZINC000826344841	583892567	/nfs/dbraw/zinc/89/25/67/583892567.db2.gz	UDPMNKZYRWIXRL-LLVKDONJSA-N	-1	1	342.363	-0.096	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)c(C#N)c2)c1=O	ZINC000826357275	583893736	/nfs/dbraw/zinc/89/37/36/583893736.db2.gz	YIJMNKYDTTXDEU-UHFFFAOYSA-N	-1	1	327.279	-0.214	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000867902839	584420630	/nfs/dbraw/zinc/42/06/30/584420630.db2.gz	RGWDOGOCWYJBTB-MRVPVSSYSA-N	-1	1	342.343	-0.067	20	30		EBEDMM
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC000939291761	652882871	/nfs/dbraw/zinc/88/28/71/652882871.db2.gz	HWNZITIPSSAVMJ-GHMZBOCLSA-N	-1	1	346.395	-0.072	20	30		EBEDMM
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000941967791	653009443	/nfs/dbraw/zinc/00/94/43/653009443.db2.gz	UHXFYKBRDWDNJU-JQWIXIFHSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000948098721	653522770	/nfs/dbraw/zinc/52/27/70/653522770.db2.gz	KBVAAOZFUDUNNI-VIFPVBQESA-N	-1	1	343.347	-0.702	20	30		EBEDMM
CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949912794	654000558	/nfs/dbraw/zinc/00/05/58/654000558.db2.gz	ILTFLWRHPCEMOH-UHFFFAOYSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1	ZINC000951866953	654323589	/nfs/dbraw/zinc/32/35/89/654323589.db2.gz	AFBJOXGGDSYHCB-RKDXNWHRSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1	ZINC000951223060	654424826	/nfs/dbraw/zinc/42/48/26/654424826.db2.gz	XSBXPPSDGKJXMN-SNVBAGLBSA-N	-1	1	346.343	-0.360	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000965899884	724536248	/nfs/dbraw/zinc/53/62/48/724536248.db2.gz	IFLNYGADXFASQC-GXFFZTMASA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000965850756	724532300	/nfs/dbraw/zinc/53/23/00/724532300.db2.gz	FWKDXIHHLSPGST-GXFFZTMASA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C#Cc1ccccc1CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000957467420	722214809	/nfs/dbraw/zinc/21/48/09/722214809.db2.gz	NVZDSVRLMSIICH-UHFFFAOYSA-N	-1	1	339.399	-0.023	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000959947161	722777046	/nfs/dbraw/zinc/77/70/46/722777046.db2.gz	PJYSCYVFMXAXHA-BIGJJFBESA-N	-1	1	347.419	-0.364	20	30		EBEDMM
N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)[nH]1	ZINC000962328420	723228141	/nfs/dbraw/zinc/22/81/41/723228141.db2.gz	HITDNOGZWDWKFP-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2	ZINC000972639649	725568934	/nfs/dbraw/zinc/56/89/34/725568934.db2.gz	VTMGLAQFDLVSAY-OAHLLOKOSA-N	-1	1	349.347	-0.663	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001051682625	735321145	/nfs/dbraw/zinc/32/11/45/735321145.db2.gz	SZXJZWIJDXPFEH-GXFFZTMASA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=CCn1cc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001000405105	726566192	/nfs/dbraw/zinc/56/61/92/726566192.db2.gz	QILNGKZYIJFSBS-SNVBAGLBSA-N	-1	1	332.368	-0.318	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1	ZINC001003318209	726669507	/nfs/dbraw/zinc/66/95/07/726669507.db2.gz	WQSLOGOVONKSKH-SSDOTTSWSA-N	-1	1	335.320	-0.756	20	30		EBEDMM
C#Cc1ccc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nc1	ZINC001004005640	726697668	/nfs/dbraw/zinc/69/76/68/726697668.db2.gz	VUDPUYWHZILQEX-UHFFFAOYSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001023296011	729659736	/nfs/dbraw/zinc/65/97/36/729659736.db2.gz	MXVDKYKKGKJYHK-LLVKDONJSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1CCCN(CC#N)C1	ZINC001025591647	730058537	/nfs/dbraw/zinc/05/85/37/730058537.db2.gz	FVWWJVKSXLTURM-WDEREUQCSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001025709372	730077698	/nfs/dbraw/zinc/07/76/98/730077698.db2.gz	LUFOWIAONVPNGG-OXHZDVMGSA-N	-1	1	347.371	-0.320	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001028469635	730297617	/nfs/dbraw/zinc/29/76/17/730297617.db2.gz	BZNTXNMODWWXBS-JTQLQIEISA-N	-1	1	329.364	-0.440	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001028489017	730299456	/nfs/dbraw/zinc/29/94/56/730299456.db2.gz	RBZYSYIBXZGFEM-SNVBAGLBSA-N	-1	1	329.364	-0.440	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001028489016	730299669	/nfs/dbraw/zinc/29/96/69/730299669.db2.gz	RBZYSYIBXZGFEM-JTQLQIEISA-N	-1	1	329.364	-0.440	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033432012	731022929	/nfs/dbraw/zinc/02/29/29/731022929.db2.gz	JSNCLFPZBAJDJZ-UPJWGTAASA-N	-1	1	335.408	-0.268	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2CCN(CC#N)[C@@H]2C1	ZINC001042313741	732404472	/nfs/dbraw/zinc/40/44/72/732404472.db2.gz	VWHQUFWEAZWAAP-NXEZZACHSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)[nH]1	ZINC001042713157	732546749	/nfs/dbraw/zinc/54/67/49/732546749.db2.gz	PNIBROBZBANHJS-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042720186	732551300	/nfs/dbraw/zinc/55/13/00/732551300.db2.gz	SODZCNFQQMWMMW-YPMHNXCESA-N	-1	1	347.371	-0.319	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061584487	738626278	/nfs/dbraw/zinc/62/62/78/738626278.db2.gz	IOKJZJQDJOVFHV-STQMWFEESA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061584485	738626403	/nfs/dbraw/zinc/62/64/03/738626403.db2.gz	IOKJZJQDJOVFHV-OLZOCXBDSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048821314	734523866	/nfs/dbraw/zinc/52/38/66/734523866.db2.gz	JWVRRBFWGZGZMN-JSGCOSHPSA-N	-1	1	329.356	-0.156	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)nc1=O	ZINC001050044896	734830819	/nfs/dbraw/zinc/83/08/19/734830819.db2.gz	SJADATIASPDWAM-UONOGXRCSA-N	-1	1	329.404	-0.055	20	30		EBEDMM
C=CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)n3[n-]cnc3n1)O2	ZINC001053686154	735967822	/nfs/dbraw/zinc/96/78/22/735967822.db2.gz	IUNRJNQMNOCRSH-LLVKDONJSA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C=CCN1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981684	736132273	/nfs/dbraw/zinc/13/22/73/736132273.db2.gz	SCYNPTFLAVPFLG-SNVBAGLBSA-N	-1	1	330.348	-0.823	20	30		EBEDMM
C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001064969326	739448121	/nfs/dbraw/zinc/44/81/21/739448121.db2.gz	BXQMDYIXWWNHRV-GFCCVEGCSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
N#Cc1nccc(NC[C@H]2CN(C(=O)c3ncccc3[O-])CCO2)n1	ZINC001066614071	740007264	/nfs/dbraw/zinc/00/72/64/740007264.db2.gz	SFZWSCVAJHXLAE-NSHDSACASA-N	-1	1	340.343	-0.176	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001067828016	740222381	/nfs/dbraw/zinc/22/23/81/740222381.db2.gz	CPVIIDVQNDQCIY-SNVBAGLBSA-N	-1	1	345.363	-0.502	20	30		EBEDMM
C#CCN1CCOC[C@@H]1c1nc(CNC(=O)c2[nH]nc(C)c2[O-])n[nH]1	ZINC001070583314	740877354	/nfs/dbraw/zinc/87/73/54/740877354.db2.gz	IZXKPDYUFZUTCV-SNVBAGLBSA-N	-1	1	345.363	-0.522	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071185561	741080637	/nfs/dbraw/zinc/08/06/37/741080637.db2.gz	IFQXNUTWMVESHL-MEBBXXQBSA-N	-1	1	333.348	-0.779	20	30		EBEDMM
C=CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071186861	741081332	/nfs/dbraw/zinc/08/13/32/741081332.db2.gz	XNRAGINRUKXSOS-MEBBXXQBSA-N	-1	1	335.364	-0.226	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@H](C)O2	ZINC001071234031	741096406	/nfs/dbraw/zinc/09/64/06/741096406.db2.gz	RPTMJWJCRMOFRR-XHDPSFHLSA-N	-1	1	335.364	-0.986	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001071936674	741252876	/nfs/dbraw/zinc/25/28/76/741252876.db2.gz	RVZOFYUMFLFJGT-VXGBXAGGSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001014456238	810434364	/nfs/dbraw/zinc/43/43/64/810434364.db2.gz	BTMOAHWIAYPERQ-UPJWGTAASA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#CCCN1CCO[C@@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035575442	810925807	/nfs/dbraw/zinc/92/58/07/810925807.db2.gz	DSIRXQIITWXMAH-JTQLQIEISA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1	ZINC001220278905	811045189	/nfs/dbraw/zinc/04/51/89/811045189.db2.gz	QVYTXNKWZLKCJU-NEPJUHHUSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC[C@@H]21	ZINC001036869809	811297902	/nfs/dbraw/zinc/29/79/02/811297902.db2.gz	KPADAZBZOMPEHS-PWSUYJOCSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001221494931	811468810	/nfs/dbraw/zinc/46/88/10/811468810.db2.gz	NABBHLOOYLABNO-VXGBXAGGSA-N	-1	1	329.360	-0.427	20	30		EBEDMM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(C(=O)OC)cc(=O)[nH]1	ZINC001225729828	811826521	/nfs/dbraw/zinc/82/65/21/811826521.db2.gz	DBCRJDSXGMBULJ-QMMMGPOBSA-N	-1	1	348.333	-0.193	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001225779207	811827950	/nfs/dbraw/zinc/82/79/50/811827950.db2.gz	LOCVNOSDBFJDHB-GHMZBOCLSA-N	-1	1	334.380	-0.833	20	30		EBEDMM
C#C[C@H](CCC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473815	811924613	/nfs/dbraw/zinc/92/46/13/811924613.db2.gz	QIAICBTYMISAGA-ZCFIWIBFSA-N	-1	1	347.287	-0.493	20	30		EBEDMM
C=CCOC[C@H](O)CN[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)C[C@H]1C=C	ZINC001252493597	812658313	/nfs/dbraw/zinc/65/83/13/812658313.db2.gz	QTDNDRFSCODQJG-LALPHHSUSA-N	-1	1	344.433	-0.307	20	30		EBEDMM
C=C[C@@H](O)CNc1ncnc2c1ncn2CCOC[P@](=O)([O-])O	ZINC001253568990	812682940	/nfs/dbraw/zinc/68/29/40/812682940.db2.gz	PNHXZWJNTWVCEE-SECBINFHSA-N	-1	1	343.280	-0.063	20	30		EBEDMM
CC#CCN(CCO)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001264076431	813146529	/nfs/dbraw/zinc/14/65/29/813146529.db2.gz	DFAQIINOTNKJCT-LLVKDONJSA-N	-1	1	335.364	-0.795	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)c1	ZINC001268747343	814375006	/nfs/dbraw/zinc/37/50/06/814375006.db2.gz	RAVKSSSKFQNFNC-LLVKDONJSA-N	-1	1	328.376	-0.265	20	30		EBEDMM
Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2nnn[n-]2)cc1C#N	ZINC001270182705	815712745	/nfs/dbraw/zinc/71/27/45/815712745.db2.gz	KWBKMCMPBHDRDW-KBPBESRZSA-N	-1	1	340.391	-0.172	20	30		EBEDMM
CC#CCN1CC[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC001084480342	815923944	/nfs/dbraw/zinc/92/39/44/815923944.db2.gz	PGAGHRMZSCNHPV-DGCLKSJQSA-N	-1	1	331.376	-0.229	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001271038743	815964367	/nfs/dbraw/zinc/96/43/67/815964367.db2.gz	SDDVQAIFLRTHFO-CQSZACIVSA-N	-1	1	339.396	-0.408	20	30		EBEDMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ccc(C#N)[nH]1	ZINC001085552456	816069588	/nfs/dbraw/zinc/06/95/88/816069588.db2.gz	DVDUUMIIHQOHFL-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001085930404	816181496	/nfs/dbraw/zinc/18/14/96/816181496.db2.gz	WWKQKXRASZYKKJ-CYBMUJFWSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#CCOCCC(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001279613488	817958906	/nfs/dbraw/zinc/95/89/06/817958906.db2.gz	SHYGSJMPLBBSPF-UONOGXRCSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
Cc1nsc(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)c1C#N	ZINC001093746605	818093941	/nfs/dbraw/zinc/09/39/41/818093941.db2.gz	NRGUTTWOBMVDNJ-UHFFFAOYSA-N	-1	1	344.360	-0.104	20	30		EBEDMM
N#Cc1cnccc1NCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001094498775	818275956	/nfs/dbraw/zinc/27/59/56/818275956.db2.gz	AHQBOHDNSBZBNL-UHFFFAOYSA-N	-1	1	342.359	-0.766	20	30		EBEDMM
C#CCNC(=O)CN1CCC(CO)(NC(=O)c2ncccc2[O-])CC1	ZINC001281809299	818282761	/nfs/dbraw/zinc/28/27/61/818282761.db2.gz	HPVSPPANZQOSSR-UHFFFAOYSA-N	-1	1	346.387	-0.907	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)nn1	ZINC001282204608	818375958	/nfs/dbraw/zinc/37/59/58/818375958.db2.gz	RRYRNBBWRSGLAE-ZJUUUORDSA-N	-1	1	334.384	-0.026	20	30		EBEDMM
C=CCC1(C(=O)NC2(CCO)CN(Cc3nc(=O)n(C)[n-]3)C2)CCC1	ZINC001282528973	818447743	/nfs/dbraw/zinc/44/77/43/818447743.db2.gz	BSXNLLWLIHXHBH-UHFFFAOYSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1cncc(C#N)n1	ZINC001097950345	819061951	/nfs/dbraw/zinc/06/19/51/819061951.db2.gz	NMYZDPGOKBRFSC-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)Nc1cnc(C#N)cn1	ZINC001097951735	819063554	/nfs/dbraw/zinc/06/35/54/819063554.db2.gz	DFMFFAJPKAUQFD-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCN1CCC2(CC1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001098614234	819276938	/nfs/dbraw/zinc/27/69/38/819276938.db2.gz	KGAPESJIYZZDCY-LLVKDONJSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C#CCCCC(=O)N1CC(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001284982357	819443624	/nfs/dbraw/zinc/44/36/24/819443624.db2.gz	YTCDPVJSAOXBRB-UHFFFAOYSA-N	-1	1	348.359	-0.112	20	30		EBEDMM
C#CCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099786980	819696990	/nfs/dbraw/zinc/69/69/90/819696990.db2.gz	SMYZNGHBIWCRTD-QWHCGFSZSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C#CCCCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099960034	819965730	/nfs/dbraw/zinc/96/57/30/819965730.db2.gz	NDZCLVTXCBSPPF-ZIAGYGMSSA-N	-1	1	349.435	-0.257	20	30		EBEDMM
C=CCCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001099987354	819993768	/nfs/dbraw/zinc/99/37/68/819993768.db2.gz	ZBBCAIWFQGZPSU-QWHCGFSZSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C	ZINC001290591230	820473932	/nfs/dbraw/zinc/47/39/32/820473932.db2.gz	SDYQEEVERDVXBX-OLZOCXBDSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nn[n-]n2)s1	ZINC001292873700	820647341	/nfs/dbraw/zinc/64/73/41/820647341.db2.gz	UHRSWVHHCJYKFY-UHFFFAOYSA-N	-1	1	342.406	-0.416	20	30		EBEDMM
C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@]2(C)C1	ZINC001101196514	820717788	/nfs/dbraw/zinc/71/77/88/820717788.db2.gz	LGLRGMPYSBZXDH-PXAZEXFGSA-N	-1	1	345.403	-0.433	20	30		EBEDMM
CN(CCNc1ccc(C#N)cn1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686997	820878142	/nfs/dbraw/zinc/87/81/42/820878142.db2.gz	SWDCJSIYOPPPFS-UHFFFAOYSA-N	-1	1	342.359	-0.236	20	30		EBEDMM
C=CCCC(=O)N1CC(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297232428	821344027	/nfs/dbraw/zinc/34/40/27/821344027.db2.gz	HTBSYYRWKLQPFL-UHFFFAOYSA-N	-1	1	334.376	-0.533	20	30		EBEDMM
Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ncccc2[O-])n1	ZINC001105801678	821873183	/nfs/dbraw/zinc/87/31/83/821873183.db2.gz	BRTKLKARAGABLV-NSHDSACASA-N	-1	1	328.332	-0.040	20	30		EBEDMM
C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001316877383	821903288	/nfs/dbraw/zinc/90/32/88/821903288.db2.gz	FGBKTEQQWCMRBH-STQMWFEESA-N	-1	1	333.392	-0.191	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108444932	824288942	/nfs/dbraw/zinc/28/89/42/824288942.db2.gz	JPLQFRDQBVBMIV-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
N#Cc1cncc(NCCN(CCO)C(=O)c2ncccc2[O-])n1	ZINC001111465637	825143428	/nfs/dbraw/zinc/14/34/28/825143428.db2.gz	GRSRKHFQPZTOHP-UHFFFAOYSA-N	-1	1	328.332	-0.005	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21	ZINC001114066537	826127999	/nfs/dbraw/zinc/12/79/99/826127999.db2.gz	DQCSHVCIDFWOKD-APAOZMKASA-N	-1	1	326.360	-0.271	20	30		EBEDMM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001114986446	826393471	/nfs/dbraw/zinc/39/34/71/826393471.db2.gz	FHVNVLGTXKSGQF-PJXYFTJBSA-N	-1	1	338.795	-0.274	20	30		EBEDMM
C[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CNCC#N	ZINC001133241240	829610706	/nfs/dbraw/zinc/61/07/06/829610706.db2.gz	GJOAURQBUWMKRT-GHMZBOCLSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnc[nH]c3=O)C2)C1	ZINC001147760990	830407442	/nfs/dbraw/zinc/40/74/42/830407442.db2.gz	ROWIWUHMMYSXMZ-GFCCVEGCSA-N	-1	1	343.387	-0.532	20	30		EBEDMM
CS(=O)(=O)c1ccc(C(=O)N([O-])C(=N)c2nonc2N)cc1	ZINC001148344253	830472857	/nfs/dbraw/zinc/47/28/57/830472857.db2.gz	GHZBTWYVKITOLC-UHFFFAOYSA-N	-1	1	325.306	-0.088	20	30		EBEDMM
N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149574054	830699805	/nfs/dbraw/zinc/69/98/05/830699805.db2.gz	UVABGWWVEJHLTN-GFCCVEGCSA-N	-1	1	347.375	-0.752	20	30		EBEDMM
CS(=O)(=O)NC1CN(C(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)C1	ZINC001154556263	831346813	/nfs/dbraw/zinc/34/68/13/831346813.db2.gz	NCNKTXQAIFKPKY-UHFFFAOYSA-N	-1	1	346.368	-0.227	20	30		EBEDMM
CC#CCN(CC)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001155872440	831437186	/nfs/dbraw/zinc/43/71/86/831437186.db2.gz	XWDIKVRLCVMNGR-GFCCVEGCSA-N	-1	1	330.392	-0.079	20	30		EBEDMM
C=C[C@@H]1C[C@]1(N[C@H]1CCN(C(C)=O)C1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001169511571	832465913	/nfs/dbraw/zinc/46/59/13/832465913.db2.gz	XJPNEGAKVARMSE-TYNCELHUSA-N	-1	1	341.433	-0.250	20	30		EBEDMM
CC(=O)N1CC[C@H](N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])C1	ZINC001169535750	832466920	/nfs/dbraw/zinc/46/69/20/832466920.db2.gz	YGVSUARDGRCQAT-WDEREUQCSA-N	-1	1	341.370	-0.377	20	30		EBEDMM
COCC#CCN(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001191674337	834526652	/nfs/dbraw/zinc/52/66/52/834526652.db2.gz	HBMRWXVOFNRNMG-GFCCVEGCSA-N	-1	1	334.376	-0.718	20	30		EBEDMM
C=CCOCCN1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC001196717895	835451945	/nfs/dbraw/zinc/45/19/45/835451945.db2.gz	DZEXXXKVRCJCKT-UHFFFAOYSA-N	-1	1	336.392	-0.164	20	30		EBEDMM
N#CCSCC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001199912976	835874880	/nfs/dbraw/zinc/87/48/80/835874880.db2.gz	IANLAIARTVKEFP-SNVBAGLBSA-N	-1	1	340.409	-0.526	20	30		EBEDMM
Cc1nc2ccccn2c(=O)c1C(=O)N([O-])C(=N)c1nonc1N	ZINC001201353761	836133706	/nfs/dbraw/zinc/13/37/06/836133706.db2.gz	WWQVESVQHGFWKX-UHFFFAOYSA-N	-1	1	329.276	-0.175	20	30		EBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001319541453	838145815	/nfs/dbraw/zinc/14/58/15/838145815.db2.gz	UGIHDERIZNXIBB-CMPLNLGQSA-N	-1	1	338.412	-0.082	20	30		EBEDMM
C#CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC001327799091	840522097	/nfs/dbraw/zinc/52/20/97/840522097.db2.gz	HYPDLJCWOOOXCZ-ZJUUUORDSA-N	-1	1	333.310	-0.007	20	30		EBEDMM
C=CCNC(=O)CN1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001329651865	840976599	/nfs/dbraw/zinc/97/65/99/840976599.db2.gz	LWKJSZWISMRNGL-UHFFFAOYSA-N	-1	1	334.376	-0.744	20	30		EBEDMM
C#CCN1CCC[C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1	ZINC001337893893	842717359	/nfs/dbraw/zinc/71/73/59/842717359.db2.gz	KLADPXFFVJDIHL-GFCCVEGCSA-N	-1	1	340.387	-0.506	20	30		EBEDMM
C#CCN1CCN(c2nnc(-c3noc(=O)[n-]3)n2CC(=C)C)CC1	ZINC001344017185	843269489	/nfs/dbraw/zinc/26/94/89/843269489.db2.gz	PDVLWWYKQGRJDI-UHFFFAOYSA-N	-1	1	329.364	-0.047	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(-c2nnn[n-]2)n1C[C@H]1CCOC1	ZINC001345426745	843394932	/nfs/dbraw/zinc/39/49/32/843394932.db2.gz	IRILDFHIGYXGQU-GFCCVEGCSA-N	-1	1	326.364	-0.042	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(-c2nn[n-]n2)n1C[C@H]1CCOC1	ZINC001345426745	843394938	/nfs/dbraw/zinc/39/49/38/843394938.db2.gz	IRILDFHIGYXGQU-GFCCVEGCSA-N	-1	1	326.364	-0.042	20	30		EBEDMM
C=CCNC(=O)NC(C)(C)C(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001348838818	843755310	/nfs/dbraw/zinc/75/53/10/843755310.db2.gz	MGJQYTUKWWSATJ-UHFFFAOYSA-N	-1	1	349.391	-0.103	20	30		EBEDMM
C=C[C@H](C)[C@@H](C)C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001349339449	843887911	/nfs/dbraw/zinc/88/79/11/843887911.db2.gz	MLAXSSCUVXQXHL-NWDGAFQWSA-N	-1	1	336.392	-0.383	20	30		EBEDMM
C#Cc1cccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1	ZINC001573290203	946898449	/nfs/dbraw/zinc/89/84/49/946898449.db2.gz	GSRBUXTZPNNASX-UHFFFAOYSA-N	-1	1	337.347	-0.061	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573562985	946980803	/nfs/dbraw/zinc/98/08/03/946980803.db2.gz	YISJBJWEFVBDJY-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573562985	946980810	/nfs/dbraw/zinc/98/08/10/946980810.db2.gz	YISJBJWEFVBDJY-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573567725	947055319	/nfs/dbraw/zinc/05/53/19/947055319.db2.gz	RHQZHQCNRMYHNH-ZJUUUORDSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573568154	947067603	/nfs/dbraw/zinc/06/76/03/947067603.db2.gz	YMRVWGVZOGYTBA-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573568154	947067611	/nfs/dbraw/zinc/06/76/11/947067611.db2.gz	YMRVWGVZOGYTBA-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573570433	947087971	/nfs/dbraw/zinc/08/79/71/947087971.db2.gz	OMPBYMPKFCXSKT-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573570433	947087982	/nfs/dbraw/zinc/08/79/82/947087982.db2.gz	OMPBYMPKFCXSKT-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573573452	947121656	/nfs/dbraw/zinc/12/16/56/947121656.db2.gz	NIEUJICAXZJLGJ-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573445	947122589	/nfs/dbraw/zinc/12/25/89/947122589.db2.gz	NGZWCSSCHCXODR-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573445	947122595	/nfs/dbraw/zinc/12/25/95/947122595.db2.gz	NGZWCSSCHCXODR-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573575607	947140679	/nfs/dbraw/zinc/14/06/79/947140679.db2.gz	ADKFQMFSFZRMGO-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573575607	947140687	/nfs/dbraw/zinc/14/06/87/947140687.db2.gz	ADKFQMFSFZRMGO-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1	ZINC001573576740	947155723	/nfs/dbraw/zinc/15/57/23/947155723.db2.gz	JFMCTJJCZIGVFG-SECBINFHSA-N	-1	1	327.352	-0.311	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573583743	947208741	/nfs/dbraw/zinc/20/87/41/947208741.db2.gz	OGYBPWRDKUHAEZ-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573583743	947208751	/nfs/dbraw/zinc/20/87/51/947208751.db2.gz	OGYBPWRDKUHAEZ-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573583747	947208803	/nfs/dbraw/zinc/20/88/03/947208803.db2.gz	OGYBPWRDKUHAEZ-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573583747	947208812	/nfs/dbraw/zinc/20/88/12/947208812.db2.gz	OGYBPWRDKUHAEZ-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)C2=CS(=O)(=O)CCC2)nc1-c1nn[nH]n1	ZINC001570933382	948890196	/nfs/dbraw/zinc/89/01/96/948890196.db2.gz	AQNFOVANRVPVQE-UHFFFAOYSA-N	-1	1	334.321	-0.508	20	30		EBEDMM
C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001570935643	948988952	/nfs/dbraw/zinc/98/89/52/948988952.db2.gz	UUQCXYHJVXAFPC-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001570935643	948988961	/nfs/dbraw/zinc/98/89/61/948988961.db2.gz	UUQCXYHJVXAFPC-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CS1(=O)=O	ZINC001570936066	949008345	/nfs/dbraw/zinc/00/83/45/949008345.db2.gz	XVSMEVZAWAWHHD-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CS1(=O)=O	ZINC001570936066	949008359	/nfs/dbraw/zinc/00/83/59/949008359.db2.gz	XVSMEVZAWAWHHD-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
CC#CCCCC(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001486028177	1126998895	/nfs/dbraw/zinc/99/88/95/1126998895.db2.gz	RNSIPFGZFLRBNE-AWEZNQCLSA-N	-1	1	345.403	-0.217	20	30		EBEDMM
COCCN(CCNC(=O)C#CC(C)(C)C)Cc1nc(=O)n(C)[n-]1	ZINC001486428718	1127171607	/nfs/dbraw/zinc/17/16/07/1127171607.db2.gz	PSGMJOIMKIEQLN-UHFFFAOYSA-N	-1	1	337.424	-0.278	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001487728759	1128406776	/nfs/dbraw/zinc/40/67/76/1128406776.db2.gz	RDCWEVHRSYIXDS-LBPRGKRZSA-N	-1	1	336.392	-0.144	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C	ZINC001488145376	1128634503	/nfs/dbraw/zinc/63/45/03/1128634503.db2.gz	SDYQEEVERDVXBX-CHWSQXEVSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCc1nn[n-]n1	ZINC001362555519	1131609665	/nfs/dbraw/zinc/60/96/65/1131609665.db2.gz	GWWDENOOIKUQIK-NSHDSACASA-N	-1	1	341.379	-0.079	20	30		EBEDMM
N#Cc1ccc(CN2CC[C@@H](NC(=O)CCc3nn[n-]n3)C2=O)cc1	ZINC001363126428	1131793964	/nfs/dbraw/zinc/79/39/64/1131793964.db2.gz	FSEULVJXXWCGRC-CYBMUJFWSA-N	-1	1	339.359	-0.079	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)CN1CCO	ZINC001363448753	1131954305	/nfs/dbraw/zinc/95/43/05/1131954305.db2.gz	HQWCGSCPTQMMKX-NEPJUHHUSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
CN(CCC#N)S(=O)(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364040409	1132178664	/nfs/dbraw/zinc/17/86/64/1132178664.db2.gz	FPJJDKYNTNIEMY-UHFFFAOYSA-N	-1	1	327.366	-0.565	20	30		EBEDMM
N#Cc1c[n-]n2c1nc(CN1CC[C@@H](CS(N)(=O)=O)C1)cc2=O	ZINC001364547414	1132358727	/nfs/dbraw/zinc/35/87/27/1132358727.db2.gz	GLEQSNRXKQNGIM-SECBINFHSA-N	-1	1	336.377	-0.583	20	30		EBEDMM
Cn1c(=O)c(C#N)c(N2CC(C[N-]C(=O)C(F)(F)F)C2)n(C)c1=O	ZINC001365236435	1132587020	/nfs/dbraw/zinc/58/70/20/1132587020.db2.gz	ZLALNIIERCBSPA-UHFFFAOYSA-N	-1	1	345.281	-0.930	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001368715187	1134403686	/nfs/dbraw/zinc/40/36/86/1134403686.db2.gz	HCJJHKBRPKDQCW-RYUDHWBXSA-N	-1	1	336.396	-0.947	20	30		EBEDMM
CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000287660992	376612509	/nfs/dbraw/zinc/61/25/09/376612509.db2.gz	CTSQSMCYGCRRHZ-SECBINFHSA-N	-1	1	333.391	-0.146	20	30		EBEDMM
CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000287896008	376617027	/nfs/dbraw/zinc/61/70/27/376617027.db2.gz	RTVBACNBKXRLDI-SECBINFHSA-N	-1	1	333.391	-0.289	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC	ZINC000336929878	378582719	/nfs/dbraw/zinc/58/27/19/378582719.db2.gz	AQCTYJBAJJMTDG-SECBINFHSA-N	-1	1	343.352	-0.120	20	30		EBEDMM
COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000336936066	378585941	/nfs/dbraw/zinc/58/59/41/378585941.db2.gz	FTGMBLXYLPCEEL-SFYZADRCSA-N	-1	1	345.299	-0.461	20	30		EBEDMM
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491615279	379605897	/nfs/dbraw/zinc/60/58/97/379605897.db2.gz	CFMHJJPMFXCCDQ-JTQLQIEISA-N	-1	1	334.423	-0.175	20	30		EBEDMM
COCCNC(=O)CN1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC000442661951	379739364	/nfs/dbraw/zinc/73/93/64/379739364.db2.gz	YPMSIRHQKAOJLP-UHFFFAOYSA-N	-1	1	346.387	-0.216	20	30		EBEDMM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000285005399	380218127	/nfs/dbraw/zinc/21/81/27/380218127.db2.gz	GLRWOPXOOJLVEC-NSHDSACASA-N	-1	1	332.407	-0.992	20	30		EBEDMM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000294727752	380509789	/nfs/dbraw/zinc/50/97/89/380509789.db2.gz	WCFRPGSPNYHQAF-SECBINFHSA-N	-1	1	328.398	-0.244	20	30		EBEDMM
N#CCN1CCC[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000343648360	381008046	/nfs/dbraw/zinc/00/80/46/381008046.db2.gz	VZWRQWIBTXLXIG-LBPRGKRZSA-N	-1	1	331.376	-0.131	20	30		EBEDMM
CCn1cc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c([N+](=O)[O-])n1	ZINC000352640363	381236183	/nfs/dbraw/zinc/23/61/83/381236183.db2.gz	LBFWFYXHJYDDQE-UHFFFAOYSA-N	-1	1	340.325	-0.747	20	30		EBEDMM
NC(=O)COc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1	ZINC000731157726	582834785	/nfs/dbraw/zinc/83/47/85/582834785.db2.gz	PYHAUFBAVLSGCI-UHFFFAOYSA-N	-1	1	327.304	-0.258	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000735431290	582894703	/nfs/dbraw/zinc/89/47/03/582894703.db2.gz	AXNIOPKFLITGFP-UHFFFAOYSA-N	-1	1	328.380	-0.314	20	30		EBEDMM
CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000735467240	582895239	/nfs/dbraw/zinc/89/52/39/582895239.db2.gz	KPLZJPHDEFMYOP-SSDOTTSWSA-N	-1	1	333.337	-0.679	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1nccnc1-c1nnn[n-]1	ZINC000736798347	582957424	/nfs/dbraw/zinc/95/74/24/582957424.db2.gz	WLWJKFSGXUQJDX-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1C#N)c1nccnc1-c1nn[n-]n1	ZINC000736798347	582957425	/nfs/dbraw/zinc/95/74/25/582957425.db2.gz	WLWJKFSGXUQJDX-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1	ZINC000737682652	583024367	/nfs/dbraw/zinc/02/43/67/583024367.db2.gz	ICTYMVOKQKXTMA-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000783617172	583480649	/nfs/dbraw/zinc/48/06/49/583480649.db2.gz	AYPRFJSXVDVMHU-UHFFFAOYSA-N	-1	1	336.391	-0.482	20	30		EBEDMM
Cc1nn(C)c(C)c1OCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000822492151	583811386	/nfs/dbraw/zinc/81/13/86/583811386.db2.gz	SGJSUOBSDTUHBZ-UHFFFAOYSA-N	-1	1	342.323	-0.171	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)CCn2cnc(-c3nn[n-]n3)n2)cc1	ZINC000822833813	583818532	/nfs/dbraw/zinc/81/85/32/583818532.db2.gz	WBVFSSXKSCIXEX-UHFFFAOYSA-N	-1	1	330.333	-0.196	20	30		EBEDMM
C=CCNC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1	ZINC000823919577	583838981	/nfs/dbraw/zinc/83/89/81/583838981.db2.gz	KSFFUKHMCWFTLW-UHFFFAOYSA-N	-1	1	331.380	-0.121	20	30		EBEDMM
C=CCNC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1	ZINC000823919577	583838983	/nfs/dbraw/zinc/83/89/83/583838983.db2.gz	KSFFUKHMCWFTLW-UHFFFAOYSA-N	-1	1	331.380	-0.121	20	30		EBEDMM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)n1cnc(C#N)n1	ZINC000843013831	584069781	/nfs/dbraw/zinc/06/97/81/584069781.db2.gz	KTRAJERRVVFRFG-JTQLQIEISA-N	-1	1	340.409	-0.359	20	30		EBEDMM
N#C[C@]12CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2	ZINC000933112899	651715083	/nfs/dbraw/zinc/71/50/83/651715083.db2.gz	IMZRZJSONPBJEF-MWLCHTKSSA-N	-1	1	339.339	-0.075	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)C#N	ZINC000944248997	652729817	/nfs/dbraw/zinc/72/98/17/652729817.db2.gz	JYRZORFYOYOZRI-RKDXNWHRSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N	ZINC000951222396	654424117	/nfs/dbraw/zinc/42/41/17/654424117.db2.gz	LEVOLIMQNLZTDA-JGVFFNPUSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000965916931	724539773	/nfs/dbraw/zinc/53/97/73/724539773.db2.gz	NBISKVXVMOHABB-MFKMUULPSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C#CCN1CC[C@H](n2cc(CNC(=O)c3[nH]nc(C)c3[O-])nn2)C1	ZINC000999977030	726546455	/nfs/dbraw/zinc/54/64/55/726546455.db2.gz	ZJVSXVJQVWFORK-LBPRGKRZSA-N	-1	1	329.364	-0.175	20	30		EBEDMM
N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001021692573	729331399	/nfs/dbraw/zinc/33/13/99/729331399.db2.gz	VAXRGGAQCVUSGZ-KGLIPLIRSA-N	-1	1	345.403	-0.237	20	30		EBEDMM
C=CCCn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038791753	731376688	/nfs/dbraw/zinc/37/66/88/731376688.db2.gz	ZXMOLCBCEUSCEE-NSHDSACASA-N	-1	1	346.395	-0.720	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039680566	731488444	/nfs/dbraw/zinc/48/84/44/731488444.db2.gz	IMIPJJYBSVJFHE-QGZVFWFLSA-N	-1	1	329.356	-0.106	20	30		EBEDMM
N#CCN1CCC[C@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC001040447611	731737372	/nfs/dbraw/zinc/73/73/72/731737372.db2.gz	RWYIYYBPAYUZST-KRWDZBQOSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042719774	732550522	/nfs/dbraw/zinc/55/05/22/732550522.db2.gz	LJLNLLSVEQCOTQ-LLVKDONJSA-N	-1	1	333.344	-0.871	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1	ZINC001053686482	735967281	/nfs/dbraw/zinc/96/72/81/735967281.db2.gz	QWDYULYWBRKOKY-SECBINFHSA-N	-1	1	349.347	-0.617	20	30		EBEDMM
CC#CCN1CC2(C1)C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982372	736133024	/nfs/dbraw/zinc/13/30/24/736133024.db2.gz	IFFZZRHGAASDJU-JTQLQIEISA-N	-1	1	348.359	-0.507	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057921196	737531145	/nfs/dbraw/zinc/53/11/45/737531145.db2.gz	BUXSSUQYLNHYOU-GFCCVEGCSA-N	-1	1	337.376	-0.071	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n3[n-]cnc3n2)CCC1	ZINC001063715050	739185609	/nfs/dbraw/zinc/18/56/09/739185609.db2.gz	IZAJOAZCIZGJNW-SECBINFHSA-N	-1	1	343.347	-0.654	20	30		EBEDMM
C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065075000	739511998	/nfs/dbraw/zinc/51/19/98/739511998.db2.gz	ZQZGHAPGESCVHC-LBPRGKRZSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065150883	739559745	/nfs/dbraw/zinc/55/97/45/739559745.db2.gz	VMBWDXIMVUWRKV-CYBMUJFWSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067665330	740177975	/nfs/dbraw/zinc/17/79/75/740177975.db2.gz	MZDNWMOYFCQVIU-GXFFZTMASA-N	-1	1	340.343	-0.324	20	30		EBEDMM
N#Cc1ccc(N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](O)C2)nn1	ZINC001067666284	740179696	/nfs/dbraw/zinc/17/96/96/740179696.db2.gz	ZUGGLIONHCFYHG-ZWNOBZJWSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
CC#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071186880	741081095	/nfs/dbraw/zinc/08/10/95/741081095.db2.gz	XUAHKLJFYADZMK-BZNIZROVSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071786827	741216450	/nfs/dbraw/zinc/21/64/50/741216450.db2.gz	JNPOKQYPDZMFJJ-CHWSQXEVSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N	ZINC001077488309	743012761	/nfs/dbraw/zinc/01/27/61/743012761.db2.gz	LNBOKLQPOHRFBG-YUMQZZPRSA-N	-1	1	337.336	-0.319	20	30		EBEDMM
CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077488297	743013380	/nfs/dbraw/zinc/01/33/80/743013380.db2.gz	LGZICEARLZGDNN-NSHDSACASA-N	-1	1	344.375	-0.298	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21	ZINC000976860228	803912515	/nfs/dbraw/zinc/91/25/15/803912515.db2.gz	DDKKLZFKNHBZGC-HXFLIBJXSA-N	-1	1	347.331	-0.757	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1	ZINC000987137759	807853252	/nfs/dbraw/zinc/85/32/52/807853252.db2.gz	ZMBICFAEANIWPT-VHSXEESVSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)cn1	ZINC000989513168	808493893	/nfs/dbraw/zinc/49/38/93/808493893.db2.gz	YZUGWVBLJMWYQJ-UHFFFAOYSA-N	-1	1	340.387	-0.167	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991407394	809425208	/nfs/dbraw/zinc/42/52/08/809425208.db2.gz	DXTZCXBFYOAZDZ-TZMCWYRMSA-N	-1	1	329.356	-0.108	20	30		EBEDMM
C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc[nH]c3=O)[C@H]2C1	ZINC001218146693	810478860	/nfs/dbraw/zinc/47/88/60/810478860.db2.gz	CECOOEDABBGFBA-UONOGXRCSA-N	-1	1	334.376	-0.090	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2[nH]nc(C)c2[O-])CC1	ZINC001226884994	811889593	/nfs/dbraw/zinc/88/95/93/811889593.db2.gz	UOQGILNBFRAKMF-LLVKDONJSA-N	-1	1	333.392	-0.244	20	30		EBEDMM
O=C1N=C(O[C@@H]2C=CCC2)C(N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1	ZINC001227472779	811923054	/nfs/dbraw/zinc/92/30/54/811923054.db2.gz	FGUNUAKVYZCGFM-RXMQYKEDSA-N	-1	1	333.260	-0.576	20	30		EBEDMM
C#C[C@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473395	811923599	/nfs/dbraw/zinc/92/35/99/811923599.db2.gz	JYADWMRXQDPMDB-RXMQYKEDSA-N	-1	1	333.260	-0.883	20	30		EBEDMM
C=C[C@@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227474305	811924528	/nfs/dbraw/zinc/92/45/28/811924528.db2.gz	YBNXTBBDTNSXPA-YFKPBYRVSA-N	-1	1	335.276	-0.330	20	30		EBEDMM
COCC#CCN1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC001228560381	811987393	/nfs/dbraw/zinc/98/73/93/811987393.db2.gz	SGXZRFCFRSTBKC-UHFFFAOYSA-N	-1	1	334.376	-0.670	20	30		EBEDMM
N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncccc2[O-])C1	ZINC001230450415	812144017	/nfs/dbraw/zinc/14/40/17/812144017.db2.gz	ZDAAKSBMGTUDOZ-LLVKDONJSA-N	-1	1	338.389	-0.470	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266750265	813660632	/nfs/dbraw/zinc/66/06/32/813660632.db2.gz	TULUNVNITUBTIR-CHWSQXEVSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C#CCN1C[C@H]2OCCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)[C@H]2C1	ZINC001083247205	814235049	/nfs/dbraw/zinc/23/50/49/814235049.db2.gz	GKAYNOVLRAYCQO-VHSXEESVSA-N	-1	1	334.332	-0.945	20	30		EBEDMM
N#CC1(NC(=O)[C@H]2CC23CCN(C(=O)Cc2nn[n-]n2)CC3)CCC1	ZINC001270789143	815892125	/nfs/dbraw/zinc/89/21/25/815892125.db2.gz	MWCKSKMTEBVDOX-LLVKDONJSA-N	-1	1	343.391	-0.067	20	30		EBEDMM
C#CCN1C(=O)COCC12CN(C(=O)c1c[nH]c(=S)[n-]c1=O)C2	ZINC001271554598	816141082	/nfs/dbraw/zinc/14/10/82/816141082.db2.gz	WHGOJTLPVLDFBR-UHFFFAOYSA-N	-1	1	334.357	-0.843	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001085823525	816158671	/nfs/dbraw/zinc/15/86/71/816158671.db2.gz	LLBLIHYYSLWFAW-XQQFMLRXSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
N#CCN[C@H]1CCCCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001088414024	816679787	/nfs/dbraw/zinc/67/97/87/816679787.db2.gz	VGAJAWXNPGXFCI-NSHDSACASA-N	-1	1	329.364	-0.084	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1	ZINC001090554251	817536564	/nfs/dbraw/zinc/53/65/64/817536564.db2.gz	WFTJPYBWFDSJSZ-NWDGAFQWSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
COCC#CCN1CCC[C@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001279479618	817938732	/nfs/dbraw/zinc/93/87/32/817938732.db2.gz	JZMGBTJEYUTCQD-KRWDZBQOSA-N	-1	1	333.388	-0.006	20	30		EBEDMM
N#Cc1cnc(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)c(F)c1	ZINC001093747033	818093997	/nfs/dbraw/zinc/09/39/97/818093997.db2.gz	YMWYEAUSAOSZSO-UHFFFAOYSA-N	-1	1	342.294	-0.335	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1cncc(C#N)n1	ZINC001093761021	818096904	/nfs/dbraw/zinc/09/69/04/818096904.db2.gz	NHPFHNQWFCFIRT-UHFFFAOYSA-N	-1	1	331.292	-0.600	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001281555106	818217139	/nfs/dbraw/zinc/21/71/39/818217139.db2.gz	FDALUDAFHFKNDY-CYBMUJFWSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C	ZINC001282384819	818399407	/nfs/dbraw/zinc/39/94/07/818399407.db2.gz	JMVVTHHCIXCZFE-UTUOFQBUSA-N	-1	1	347.375	-0.808	20	30		EBEDMM
CCNC(=O)CC(=O)N1C[C@@H]2CC[C@H](N=c3cc[n-]c(C#N)n3)[C@H]2C1	ZINC001097597489	819007480	/nfs/dbraw/zinc/00/74/80/819007480.db2.gz	YHDPFYFUDIPEEW-AVGNSLFASA-N	-1	1	342.403	-0.055	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)nn1	ZINC001097939805	819057657	/nfs/dbraw/zinc/05/76/57/819057657.db2.gz	NTAGCKNJJSZCSE-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1nccnc1C#N	ZINC001097939410	819058119	/nfs/dbraw/zinc/05/81/19/819058119.db2.gz	HSWWOKHWSASRRZ-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1nccnc1C#N	ZINC001097949944	819062146	/nfs/dbraw/zinc/06/21/46/819062146.db2.gz	FWAHKBZQQIUDHD-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
N#Cc1cn(CCC(=O)NCCCCN2CCOCC2)c(=O)[n-]c1=O	ZINC001291547132	820508248	/nfs/dbraw/zinc/50/82/48/820508248.db2.gz	DIWVJJQIRIKDCK-UHFFFAOYSA-N	-1	1	349.391	-0.561	20	30		EBEDMM
CN(CCNc1ccc(C#N)cn1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699234	820883606	/nfs/dbraw/zinc/88/36/06/820883606.db2.gz	PUQVIBDPFSJXNS-UHFFFAOYSA-N	-1	1	338.331	-0.132	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001295129229	821053663	/nfs/dbraw/zinc/05/36/63/821053663.db2.gz	HHAJRSPHVXXMLF-HAQNSBGRSA-N	-1	1	348.403	-0.098	20	30		EBEDMM
C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001103639963	821336013	/nfs/dbraw/zinc/33/60/13/821336013.db2.gz	XRNOGENBTDDKLB-GHMZBOCLSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107843755	823997281	/nfs/dbraw/zinc/99/72/81/823997281.db2.gz	NNDNWWKAESTJPR-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1cncc(C#N)n1	ZINC001108461160	824295664	/nfs/dbraw/zinc/29/56/64/824295664.db2.gz	ANBBJQFNMNQOHY-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2	ZINC001110467741	824736311	/nfs/dbraw/zinc/73/63/11/824736311.db2.gz	GANROLZDOLUWJY-UPJWGTAASA-N	-1	1	328.372	-0.128	20	30		EBEDMM
N#CCNC(=O)CN1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1	ZINC001113410000	825862188	/nfs/dbraw/zinc/86/21/88/825862188.db2.gz	JOLIDHWELRIPIN-UHFFFAOYSA-N	-1	1	344.375	-0.543	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001114142923	826148045	/nfs/dbraw/zinc/14/80/45/826148045.db2.gz	JATHJJFRMJCMMW-WYUUTHIRSA-N	-1	1	333.392	-0.226	20	30		EBEDMM
COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[n-]n2c1nccc2=O	ZINC001114939530	826376572	/nfs/dbraw/zinc/37/65/72/826376572.db2.gz	JQEXZPTUOCXDCW-NHAGDIPZSA-N	-1	1	341.371	-0.668	20	30		EBEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(CC#N)CC2)o1	ZINC001116005653	826593712	/nfs/dbraw/zinc/59/37/12/826593712.db2.gz	LXVCMTNHGHHYJJ-UHFFFAOYSA-N	-1	1	326.378	-0.095	20	30		EBEDMM
CCc1nc(CC(=O)NC[C@@H](CO)N=c2cc[n-]c(C#N)n2)cs1	ZINC001121649196	827416009	/nfs/dbraw/zinc/41/60/09/827416009.db2.gz	DVQHITJYWXJMBZ-NSHDSACASA-N	-1	1	346.416	-0.079	20	30		EBEDMM
C[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@H]1CNCC#N	ZINC001185318207	833355384	/nfs/dbraw/zinc/35/53/84/833355384.db2.gz	VBDCWCKJPAJSSE-STQMWFEESA-N	-1	1	333.392	-0.476	20	30		EBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001186103876	833388759	/nfs/dbraw/zinc/38/87/59/833388759.db2.gz	OCJCYIIUFOIQNG-NEPJUHHUSA-N	-1	1	336.396	-0.328	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001148874286	830550922	/nfs/dbraw/zinc/55/09/22/830550922.db2.gz	PJAQANSBDBLSFL-GFCCVEGCSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
Cn1[n-]c(CN2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001149702018	830732564	/nfs/dbraw/zinc/73/25/64/830732564.db2.gz	XKNOBHWVTSTZFH-CYBMUJFWSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C=CCN1CCCO[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001150452300	830903909	/nfs/dbraw/zinc/90/39/09/830903909.db2.gz	DXDCGKQMBYGEMJ-GFCCVEGCSA-N	-1	1	346.391	-0.536	20	30		EBEDMM
C=CCOCC(=O)NCCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001159576478	831761545	/nfs/dbraw/zinc/76/15/45/831761545.db2.gz	SAZGZSKBEORMIO-UHFFFAOYSA-N	-1	1	335.408	-0.051	20	30		EBEDMM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cc1ccn[nH]1	ZINC001175766704	832644689	/nfs/dbraw/zinc/64/46/89/832644689.db2.gz	BIODPKQWJMYSTD-SNVBAGLBSA-N	-1	1	338.326	-0.505	20	30		EBEDMM
C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001176955715	832718363	/nfs/dbraw/zinc/71/83/63/832718363.db2.gz	XZMOITLNCFKYJS-CHWSQXEVSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
N#Cc1[nH]cnc1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178366174	832854882	/nfs/dbraw/zinc/85/48/82/832854882.db2.gz	RQKAWUVHPWUANF-UHFFFAOYSA-N	-1	1	343.303	-0.339	20	30		EBEDMM
COCC#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC001188456107	834052380	/nfs/dbraw/zinc/05/23/80/834052380.db2.gz	KTKAWWRXEKXXGZ-WDEREUQCSA-N	-1	1	333.348	-0.921	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001192419897	834665101	/nfs/dbraw/zinc/66/51/01/834665101.db2.gz	JPRSZWDCIBGROU-DMDPSCGWSA-N	-1	1	334.376	-0.747	20	30		EBEDMM
C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001193258861	834825938	/nfs/dbraw/zinc/82/59/38/834825938.db2.gz	PARRFJSBFREDJQ-NXEZZACHSA-N	-1	1	343.815	-0.452	20	30		EBEDMM
CS(=O)(=O)c1cc(C(=O)N([O-])C(=N)c2nonc2N)ccn1	ZINC001194675806	835135490	/nfs/dbraw/zinc/13/54/90/835135490.db2.gz	ZDFBFYFVZLGENB-UHFFFAOYSA-N	-1	1	326.294	-0.693	20	30		EBEDMM
Cn1c2ccc(C(=O)N([O-])C(=N)c3nonc3N)cc2n(C)c1=O	ZINC001198484026	835688126	/nfs/dbraw/zinc/68/81/26/835688126.db2.gz	DILBWHWWUUKWJS-UHFFFAOYSA-N	-1	1	331.292	-0.301	20	30		EBEDMM
COCC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001325897762	839968035	/nfs/dbraw/zinc/96/80/35/839968035.db2.gz	KRZXXEVOXPQTSN-RYUDHWBXSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C=CCOCC(=O)N[C@@]12CCC[C@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001332082729	841567811	/nfs/dbraw/zinc/56/78/11/841567811.db2.gz	QBQYXOJNKQVFFE-MLGOLLRUSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C=CCn1cc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)nn1	ZINC001347232065	843603379	/nfs/dbraw/zinc/60/33/79/843603379.db2.gz	WHZSGSIEJBEHDW-UHFFFAOYSA-N	-1	1	329.320	-0.097	20	30		EBEDMM
C#CCCCC(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573283612	946720710	/nfs/dbraw/zinc/72/07/10/946720710.db2.gz	KUUIIEDXNHYJAI-AATRIKPKSA-N	-1	1	326.364	-0.034	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573285362	946776839	/nfs/dbraw/zinc/77/68/39/946776839.db2.gz	GWHLEHQTLMRWNJ-NSHDSACASA-N	-1	1	344.379	-0.045	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573285362	946776845	/nfs/dbraw/zinc/77/68/45/946776845.db2.gz	GWHLEHQTLMRWNJ-NSHDSACASA-N	-1	1	344.379	-0.045	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573286864	946821174	/nfs/dbraw/zinc/82/11/74/946821174.db2.gz	JIUVLRGPZQSIBW-NSHDSACASA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573286864	946821182	/nfs/dbraw/zinc/82/11/82/946821182.db2.gz	JIUVLRGPZQSIBW-NSHDSACASA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)nc1	ZINC001573286890	946821455	/nfs/dbraw/zinc/82/14/55/946821455.db2.gz	BYNWRAFNPXWXQO-UHFFFAOYSA-N	-1	1	349.358	-0.101	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)nc1	ZINC001573286890	946821463	/nfs/dbraw/zinc/82/14/63/946821463.db2.gz	BYNWRAFNPXWXQO-UHFFFAOYSA-N	-1	1	349.358	-0.101	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCCNc1nc(C)cc(-c2nnn[n-]2)n1	ZINC001573287062	946827171	/nfs/dbraw/zinc/82/71/71/946827171.db2.gz	LITKTQMKEKSHAW-NSHDSACASA-N	-1	1	344.379	-0.078	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCCNc1nc(C)cc(-c2nn[n-]n2)n1	ZINC001573287062	946827181	/nfs/dbraw/zinc/82/71/81/946827181.db2.gz	LITKTQMKEKSHAW-NSHDSACASA-N	-1	1	344.379	-0.078	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573292983	946944495	/nfs/dbraw/zinc/94/44/95/946944495.db2.gz	IDRYSIZKZXPEIV-JTQLQIEISA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573561183	946959277	/nfs/dbraw/zinc/95/92/77/946959277.db2.gz	IWGHFDMDLFOEMX-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573561183	946959283	/nfs/dbraw/zinc/95/92/83/946959283.db2.gz	IWGHFDMDLFOEMX-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561516	946963674	/nfs/dbraw/zinc/96/36/74/946963674.db2.gz	LQSOURGUWNUTHN-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561516	946963679	/nfs/dbraw/zinc/96/36/79/946963679.db2.gz	LQSOURGUWNUTHN-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573563913	946987121	/nfs/dbraw/zinc/98/71/21/946987121.db2.gz	CYGYTTGCWHZENH-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573563913	946987127	/nfs/dbraw/zinc/98/71/27/946987127.db2.gz	CYGYTTGCWHZENH-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1	ZINC001573570844	947094921	/nfs/dbraw/zinc/09/49/21/947094921.db2.gz	VJCIDPKDUOMNJS-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1	ZINC001573570844	947094933	/nfs/dbraw/zinc/09/49/33/947094933.db2.gz	VJCIDPKDUOMNJS-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573622	947123525	/nfs/dbraw/zinc/12/35/25/947123525.db2.gz	OPDSLQHLWIPMBP-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573622	947123534	/nfs/dbraw/zinc/12/35/34/947123534.db2.gz	OPDSLQHLWIPMBP-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573577154	947161761	/nfs/dbraw/zinc/16/17/61/947161761.db2.gz	MVBQSBVYFWSVSN-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573577154	947161769	/nfs/dbraw/zinc/16/17/69/947161769.db2.gz	MVBQSBVYFWSVSN-DBIOUOCHSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573582203	947189169	/nfs/dbraw/zinc/18/91/69/947189169.db2.gz	BZECEJKZAAXUNY-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573582203	947189184	/nfs/dbraw/zinc/18/91/84/947189184.db2.gz	BZECEJKZAAXUNY-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573583143	947199716	/nfs/dbraw/zinc/19/97/16/947199716.db2.gz	KCLMLXDVACKSJW-UWVGGRQHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584753	947232373	/nfs/dbraw/zinc/23/23/73/947232373.db2.gz	DFAKJHMVUVORMP-GUBZILKMSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C	ZINC001573585219	947250616	/nfs/dbraw/zinc/25/06/16/947250616.db2.gz	DCHZLBRRGRNNIX-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1	ZINC001573342746	947544613	/nfs/dbraw/zinc/54/46/13/947544613.db2.gz	BVBAJOUYICLOJE-QWRGUYRKSA-N	-1	1	342.363	-0.351	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1	ZINC001573342746	947544619	/nfs/dbraw/zinc/54/46/19/947544619.db2.gz	BVBAJOUYICLOJE-QWRGUYRKSA-N	-1	1	342.363	-0.351	20	30		EBEDMM
C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001570935644	948988742	/nfs/dbraw/zinc/98/87/42/948988742.db2.gz	UUQCXYHJVXAFPC-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001570935644	948988755	/nfs/dbraw/zinc/98/87/55/948988755.db2.gz	UUQCXYHJVXAFPC-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001570936046	949011622	/nfs/dbraw/zinc/01/16/22/949011622.db2.gz	XQTDWXHHSNIHHI-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H](CNC(=O)CSCC#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574936200	949211881	/nfs/dbraw/zinc/21/18/81/949211881.db2.gz	IDGVRMMHOYTFMJ-QMMMGPOBSA-N	-1	1	333.381	-0.748	20	30		EBEDMM
Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1	ZINC001570946026	949517993	/nfs/dbraw/zinc/51/79/93/949517993.db2.gz	IGNCLTKSTGIBAZ-ZANVPECISA-N	-1	1	346.376	-0.660	20	30		EBEDMM
Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1	ZINC001570946026	949518003	/nfs/dbraw/zinc/51/80/03/949518003.db2.gz	IGNCLTKSTGIBAZ-ZANVPECISA-N	-1	1	346.376	-0.660	20	30		EBEDMM
COC(=O)[C@H](CSc1cnc(C#N)c(-c2nn[n-]n2)n1)NC(C)=O	ZINC001570950175	949669268	/nfs/dbraw/zinc/66/92/68/949669268.db2.gz	WSQFTVFQFHXANX-QMMMGPOBSA-N	-1	1	348.348	-0.702	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574997050	950539173	/nfs/dbraw/zinc/53/91/73/950539173.db2.gz	QIXDKYHDTDTZOQ-QMMMGPOBSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001576214278	950664885	/nfs/dbraw/zinc/66/48/85/950664885.db2.gz	OJYKNMHRKPSCDH-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CC1	ZINC001588477444	983516277	/nfs/dbraw/zinc/51/62/77/983516277.db2.gz	QUMKRAMRJYMLDJ-LVQVYYBASA-N	-1	1	349.431	-0.141	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CC1	ZINC001588477446	983516302	/nfs/dbraw/zinc/51/63/02/983516302.db2.gz	QUMKRAMRJYMLDJ-WCVJEAGWSA-N	-1	1	349.431	-0.141	20	30		EBEDMM
CCN(CCC#N)C(=O)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001596299431	983723607	/nfs/dbraw/zinc/72/36/07/983723607.db2.gz	GZHPLZCDXZQYJW-MRXNPFEDSA-N	-1	1	338.408	-0.390	20	30		EBEDMM
CC(C)C#CC(=O)N1CCC[C@@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001691525113	1126178838	/nfs/dbraw/zinc/17/88/38/1126178838.db2.gz	QWDWDXSHNFHWHA-CQSZACIVSA-N	-1	1	349.435	-0.447	20	30		EBEDMM
CC(C)C#CC(=O)N1CCC[C@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001691525110	1126178862	/nfs/dbraw/zinc/17/88/62/1126178862.db2.gz	QWDWDXSHNFHWHA-AWEZNQCLSA-N	-1	1	349.435	-0.447	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001482660815	1126247604	/nfs/dbraw/zinc/24/76/04/1126247604.db2.gz	FTRBGKPAASVGIL-OLZOCXBDSA-N	-1	1	333.392	-0.027	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001412668894	1129588637	/nfs/dbraw/zinc/58/86/37/1129588637.db2.gz	DJQKNAKRIYORBR-BDAKNGLRSA-N	-1	1	331.336	-0.846	20	30		EBEDMM
N#Cc1cn(CC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(=O)[n-]c1=O	ZINC001362085367	1131512153	/nfs/dbraw/zinc/51/21/53/1131512153.db2.gz	NKRSDJDMWPFPSJ-LBPRGKRZSA-N	-1	1	347.375	-0.999	20	30		EBEDMM
CN(CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H]1CCC[C@H]1O	ZINC001363081972	1131776360	/nfs/dbraw/zinc/77/63/60/1131776360.db2.gz	QWURSMOLZYTLLG-CHWSQXEVSA-N	-1	1	347.375	-0.951	20	30		EBEDMM
N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3nn[n-]n3)C2=O)cc1	ZINC001363126430	1131793685	/nfs/dbraw/zinc/79/36/85/1131793685.db2.gz	FSEULVJXXWCGRC-ZDUSSCGKSA-N	-1	1	339.359	-0.079	20	30		EBEDMM
CCn1cc(C#N)c(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)c1=O	ZINC001364291729	1132265613	/nfs/dbraw/zinc/26/56/13/1132265613.db2.gz	XYDTWEHTADVUTJ-UHFFFAOYSA-N	-1	1	346.265	-0.461	20	30		EBEDMM
CO[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCS(=O)(=O)C1	ZINC001365462867	1132694809	/nfs/dbraw/zinc/69/48/09/1132694809.db2.gz	AIHUVSWIVIBHEM-NSHDSACASA-N	-1	1	334.375	-0.367	20	30		EBEDMM
CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286566425	376196104	/nfs/dbraw/zinc/19/61/04/376196104.db2.gz	ISKQWRCGVLCEHI-SECBINFHSA-N	-1	1	333.391	-0.146	20	30		EBEDMM
CS(=O)(=O)c1n[n-]c(NC(=O)CNC(=O)c2ccc(C#N)cc2)n1	ZINC000339151766	376643639	/nfs/dbraw/zinc/64/36/39/376643639.db2.gz	KLQHRJDTIOPHBA-UHFFFAOYSA-N	-1	1	348.344	-0.552	20	30		EBEDMM
CS(=O)(=O)c1nnc(NC(=O)CNC(=O)c2ccc(C#N)cc2)[n-]1	ZINC000339151766	376643645	/nfs/dbraw/zinc/64/36/45/376643645.db2.gz	KLQHRJDTIOPHBA-UHFFFAOYSA-N	-1	1	348.344	-0.552	20	30		EBEDMM
CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000594823242	377961226	/nfs/dbraw/zinc/96/12/26/377961226.db2.gz	STGXICKPQFJUSH-MNOVXSKESA-N	-1	1	336.435	-0.198	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)[N-][C@@](C)(COC)C(=O)OC	ZINC000336936951	378585869	/nfs/dbraw/zinc/58/58/69/378585869.db2.gz	GMLYUHLOGSNUSV-LBPRGKRZSA-N	-1	1	337.398	-0.739	20	30		EBEDMM
C[N@@H+](CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H]1CCSC1	ZINC000600831997	379230036	/nfs/dbraw/zinc/23/00/36/379230036.db2.gz	HHJJZHICZDSTGJ-LLVKDONJSA-N	-1	1	349.416	-0.359	20	30		EBEDMM
CN(CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H]1CCSC1	ZINC000600831997	379230051	/nfs/dbraw/zinc/23/00/51/379230051.db2.gz	HHJJZHICZDSTGJ-LLVKDONJSA-N	-1	1	349.416	-0.359	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)OC	ZINC000360618354	380265744	/nfs/dbraw/zinc/26/57/44/380265744.db2.gz	ISKSGFGCVLOOIN-SRVKXCTJSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000566311647	380461913	/nfs/dbraw/zinc/46/19/13/380461913.db2.gz	HPEBGSHTIVGZOL-GFCCVEGCSA-N	-1	1	345.421	-0.527	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000566486112	380474081	/nfs/dbraw/zinc/47/40/81/380474081.db2.gz	VDHGUDNSFGEXDU-JTQLQIEISA-N	-1	1	349.438	-0.037	20	30		EBEDMM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000351229869	381618099	/nfs/dbraw/zinc/61/80/99/381618099.db2.gz	YVHZTXHBZNRPLD-GFCCVEGCSA-N	-1	1	346.434	-0.602	20	30		EBEDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCn1cnc(C#N)n1	ZINC000342875116	156066363	/nfs/dbraw/zinc/06/63/63/156066363.db2.gz	AGQVISAZKDGELG-UHFFFAOYSA-N	-1	1	340.347	-0.126	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)NC3=O)o1	ZINC000344523233	156237911	/nfs/dbraw/zinc/23/79/11/156237911.db2.gz	WRFZDKVVJZFROW-OQPBUACISA-N	-1	1	338.345	-0.192	20	30		EBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)ncc1C#N	ZINC000349569360	421291093	/nfs/dbraw/zinc/29/10/93/421291093.db2.gz	BEZRIQHVZSTLQV-UHFFFAOYSA-N	-1	1	346.434	0.285	20	30		EBEDMM
N#CCCN(CCN1CCOCC1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733142448	582855839	/nfs/dbraw/zinc/85/58/39/582855839.db2.gz	GFYRHUVHDCUDQC-UHFFFAOYSA-N	-1	1	349.391	-0.999	20	30		EBEDMM
C[C@H](CC(=O)Nc1nnn[n-]1)N=C1NS(=O)(=O)c2ccccc21	ZINC000742687302	583082004	/nfs/dbraw/zinc/08/20/04/583082004.db2.gz	VKAYHSKCJLWNHH-SSDOTTSWSA-N	-1	1	335.349	-0.345	20	30		EBEDMM
C[C@H](CC(=O)Nc1nn[n-]n1)N=C1NS(=O)(=O)c2ccccc21	ZINC000742687302	583082005	/nfs/dbraw/zinc/08/20/05/583082005.db2.gz	VKAYHSKCJLWNHH-SSDOTTSWSA-N	-1	1	335.349	-0.345	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCCn2ncc(C#N)c2N)co1	ZINC000756548649	583184827	/nfs/dbraw/zinc/18/48/27/583184827.db2.gz	CGWQZWBFUSEEIA-UHFFFAOYSA-N	-1	1	339.333	-0.305	20	30		EBEDMM
COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1c(N)n(C)c(=O)n(C)c1=O	ZINC000756900925	583187413	/nfs/dbraw/zinc/18/74/13/583187413.db2.gz	DZDUCPBSFYSLHQ-UHFFFAOYSA-N	-1	1	347.331	-0.181	20	30		EBEDMM
N#CCCCCOC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786198825	583507190	/nfs/dbraw/zinc/50/71/90/583507190.db2.gz	UZCIYRQIADBJTE-UHFFFAOYSA-N	-1	1	329.334	-0.106	20	30		EBEDMM
C#C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CCCO1	ZINC000806986640	583656424	/nfs/dbraw/zinc/65/64/24/583656424.db2.gz	IXSBMEPMEQWXBD-YPMHNXCESA-N	-1	1	327.344	-0.423	20	30		EBEDMM
N#C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1	ZINC000822806841	583818341	/nfs/dbraw/zinc/81/83/41/583818341.db2.gz	UFEAUJQIMAVBHN-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1	ZINC000822806841	583818343	/nfs/dbraw/zinc/81/83/43/583818343.db2.gz	UFEAUJQIMAVBHN-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#Cc1ccc(OCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1	ZINC000822832980	583818504	/nfs/dbraw/zinc/81/85/04/583818504.db2.gz	LFEADPINRKEJMD-UHFFFAOYSA-N	-1	1	339.319	-0.475	20	30		EBEDMM
C#CCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000823850781	583838101	/nfs/dbraw/zinc/83/81/01/583838101.db2.gz	TVLCRHDOBWGYEM-JTQLQIEISA-N	-1	1	343.420	-0.325	20	30		EBEDMM
C#CCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000823850781	583838103	/nfs/dbraw/zinc/83/81/03/583838103.db2.gz	TVLCRHDOBWGYEM-JTQLQIEISA-N	-1	1	343.420	-0.325	20	30		EBEDMM
C#CCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000823850782	583838205	/nfs/dbraw/zinc/83/82/05/583838205.db2.gz	TVLCRHDOBWGYEM-SNVBAGLBSA-N	-1	1	343.420	-0.325	20	30		EBEDMM
C#CCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000823850782	583838206	/nfs/dbraw/zinc/83/82/06/583838206.db2.gz	TVLCRHDOBWGYEM-SNVBAGLBSA-N	-1	1	343.420	-0.325	20	30		EBEDMM
CCOC(=O)NCCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000825524046	583862637	/nfs/dbraw/zinc/86/26/37/583862637.db2.gz	ZQKBLPGKQYHQJG-UHFFFAOYSA-N	-1	1	333.312	-0.074	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])CC1	ZINC000825619897	583864446	/nfs/dbraw/zinc/86/44/46/583864446.db2.gz	RFIKXCZZKVLFGB-ZDUSSCGKSA-N	-1	1	325.434	-0.344	20	30		EBEDMM
COC(=O)C1=C(C)O[C@@H](Cn2c(N)nc(-c3nn[n-]n3)c2C#N)C1	ZINC000826128224	583881536	/nfs/dbraw/zinc/88/15/36/583881536.db2.gz	AIASKFMCTKVETE-SSDOTTSWSA-N	-1	1	330.308	-0.247	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCOC[C@@H]1C1CC1	ZINC000826382438	583895853	/nfs/dbraw/zinc/89/58/53/583895853.db2.gz	DWQKCPTZTJKISX-SNVBAGLBSA-N	-1	1	343.351	-0.846	20	30		EBEDMM
CC(C)CN1CCO[C@H](CNC(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000826885825	583911897	/nfs/dbraw/zinc/91/18/97/583911897.db2.gz	JYPANQPQDNWIMC-CYBMUJFWSA-N	-1	1	326.397	-0.630	20	30		EBEDMM
C=CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	ZINC000837046176	584046525	/nfs/dbraw/zinc/04/65/25/584046525.db2.gz	FYSXBDBOXSNSDP-SNVBAGLBSA-N	-1	1	339.373	-0.079	20	30		EBEDMM
C=C1[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1C(=O)NOC[C@@H]1CCOC1	ZINC000907665608	650088217	/nfs/dbraw/zinc/08/82/17/650088217.db2.gz	INYBWBCHHWHVLU-CRWXNKLISA-N	-1	1	340.376	-0.043	20	30		EBEDMM
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1C(=O)NOC[C@H]1CCOC1	ZINC000907665608	650088220	/nfs/dbraw/zinc/08/82/20/650088220.db2.gz	INYBWBCHHWHVLU-CRWXNKLISA-N	-1	1	340.376	-0.043	20	30		EBEDMM
Cn1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(=O)n(C)c1=O	ZINC000914600040	650261496	/nfs/dbraw/zinc/26/14/96/650261496.db2.gz	NRHKJCCDJGRBSI-UHFFFAOYSA-N	-1	1	347.356	-0.843	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CCN(C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC000941516286	652782209	/nfs/dbraw/zinc/78/22/09/652782209.db2.gz	PEPDAQWZWJYHHK-UHFFFAOYSA-N	-1	1	348.451	-0.351	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000939398024	652925863	/nfs/dbraw/zinc/92/58/63/652925863.db2.gz	SJVQAQNOLKGZGC-UWVGGRQHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
N#CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC[C@@H]2C1	ZINC000946859380	653250954	/nfs/dbraw/zinc/25/09/54/653250954.db2.gz	RVXJDAQUURGSAO-TXEJJXNPSA-N	-1	1	341.375	-0.275	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000965899881	724536217	/nfs/dbraw/zinc/53/62/17/724536217.db2.gz	IFLNYGADXFASQC-GWCFXTLKSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960279196	722813610	/nfs/dbraw/zinc/81/36/10/722813610.db2.gz	AGWMQZRQZMCMHM-VXGBXAGGSA-N	-1	1	325.328	-0.099	20	30		EBEDMM
C=C(Br)CN[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001019094735	728794733	/nfs/dbraw/zinc/79/47/33/728794733.db2.gz	KEIGLWACEGJIHI-ZETCQYMHSA-N	-1	1	344.169	-0.005	20	30		EBEDMM
C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000968432619	725063187	/nfs/dbraw/zinc/06/31/87/725063187.db2.gz	ZBNTXQKMGGXHOS-TZMCWYRMSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
N#CCN1CCCCC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000969115579	725152838	/nfs/dbraw/zinc/15/28/38/725152838.db2.gz	RNFPXPGVSZEVMO-NSHDSACASA-N	-1	1	329.364	-0.084	20	30		EBEDMM
C=CCn1cc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)nn1	ZINC000991673855	725532323	/nfs/dbraw/zinc/53/23/23/725532323.db2.gz	PWKITFGESPVPSZ-UHFFFAOYSA-N	-1	1	328.332	-0.181	20	30		EBEDMM
C#CCN1CCO[C@@]2(CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)C1	ZINC000972638436	725568494	/nfs/dbraw/zinc/56/84/94/725568494.db2.gz	KNNRISPCQXWNGS-INIZCTEOSA-N	-1	1	348.359	-0.554	20	30		EBEDMM
N#CCN1CC[C@@]2(NC(=O)c3cc(=O)n4[n-]cnc4n3)CCC[C@@H]12	ZINC000992436560	725797171	/nfs/dbraw/zinc/79/71/71/725797171.db2.gz	WPNKIXLKVWKBQO-ABAIWWIYSA-N	-1	1	327.348	-0.332	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001051682627	735321098	/nfs/dbraw/zinc/32/10/98/735321098.db2.gz	SZXJZWIJDXPFEH-ZWNOBZJWSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
Cn1[n-]c(CN2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O	ZINC001000564243	726571042	/nfs/dbraw/zinc/57/10/42/726571042.db2.gz	QOXRCXFYWMPZNI-UHFFFAOYSA-N	-1	1	341.375	-0.130	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051818237	735412342	/nfs/dbraw/zinc/41/23/42/735412342.db2.gz	YSLUTAIIWHIQIB-ZDUSSCGKSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001011561486	727542413	/nfs/dbraw/zinc/54/24/13/727542413.db2.gz	ZPQLQJHOMMXWCQ-UHFFFAOYSA-N	-1	1	348.403	-0.190	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001021692574	729331495	/nfs/dbraw/zinc/33/14/95/729331495.db2.gz	VAXRGGAQCVUSGZ-UONOGXRCSA-N	-1	1	345.403	-0.237	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001028269748	730279209	/nfs/dbraw/zinc/27/92/09/730279209.db2.gz	VJOQJAFHEXUUNH-CYBMUJFWSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001028271193	730279288	/nfs/dbraw/zinc/27/92/88/730279288.db2.gz	BDGGXLCIRNDBHQ-AWEZNQCLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001028269749	730279384	/nfs/dbraw/zinc/27/93/84/730279384.db2.gz	VJOQJAFHEXUUNH-ZDUSSCGKSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033021603	730958448	/nfs/dbraw/zinc/95/84/48/730958448.db2.gz	ITBIIQVYEJJAMK-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033432013	731022980	/nfs/dbraw/zinc/02/29/80/731022980.db2.gz	JSNCLFPZBAJDJZ-XQQFMLRXSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001061523098	738582594	/nfs/dbraw/zinc/58/25/94/738582594.db2.gz	ISMQQJLJYAMNKS-OLZOCXBDSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
N#CCN1CC[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001042312065	732403579	/nfs/dbraw/zinc/40/35/79/732403579.db2.gz	MTJKWCDXXBJIPN-CMPLNLGQSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
N#Cc1nccc(N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001043917809	733198529	/nfs/dbraw/zinc/19/85/29/733198529.db2.gz	IAVTZWYOKGKHQM-KOLCDFICSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
C#CCN1CC2(C1)CC[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)O2	ZINC001053685943	735967386	/nfs/dbraw/zinc/96/73/86/735967386.db2.gz	CCMQLNKHDHQFKG-SNVBAGLBSA-N	-1	1	348.359	-0.507	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1	ZINC001064306070	739273249	/nfs/dbraw/zinc/27/32/49/739273249.db2.gz	BFXQJZWOIZPSLN-MRVPVSSYSA-N	-1	1	349.347	-0.175	20	30		EBEDMM
N#Cc1nccc(N2C[C@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067666206	740179526	/nfs/dbraw/zinc/17/95/26/740179526.db2.gz	YYXIPMSZDMLRCL-JQWIXIFHSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001070416248	740817467	/nfs/dbraw/zinc/81/74/67/740817467.db2.gz	JSZDJPPNTMPZJO-VIFPVBQESA-N	-1	1	343.347	-0.642	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001071786611	741216477	/nfs/dbraw/zinc/21/64/77/741216477.db2.gz	GOBDOLDOSVHFHT-CMPLNLGQSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCN1CCO[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001074356647	741911295	/nfs/dbraw/zinc/91/12/95/741911295.db2.gz	NAYGSVLVQVUVMV-KGLIPLIRSA-N	-1	1	348.403	-0.586	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)c1	ZINC000981923052	806325191	/nfs/dbraw/zinc/32/51/91/806325191.db2.gz	GTCHYOGRNXLLFO-UHFFFAOYSA-N	-1	1	340.387	-0.167	20	30		EBEDMM
C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC000978411177	804825854	/nfs/dbraw/zinc/82/58/54/804825854.db2.gz	JEMILSJZACFLIZ-PSVAKVPMSA-N	-1	1	325.756	-0.057	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001016027176	810656317	/nfs/dbraw/zinc/65/63/17/810656317.db2.gz	NJUPMTRLEAMVHK-CYBMUJFWSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
CC#CCN1CCO[C@@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035577659	810928744	/nfs/dbraw/zinc/92/87/44/810928744.db2.gz	RMQPSOWDTLAJSE-JTQLQIEISA-N	-1	1	336.348	-0.650	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@H]21	ZINC001036843283	811284604	/nfs/dbraw/zinc/28/46/04/811284604.db2.gz	CXIBKCGQKCUDAY-CHWSQXEVSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001221494778	811469254	/nfs/dbraw/zinc/46/92/54/811469254.db2.gz	DUZBYNLOJAKRJC-CHWSQXEVSA-N	-1	1	328.372	-0.317	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001222069580	811590311	/nfs/dbraw/zinc/59/03/11/811590311.db2.gz	RVWHXAGORQPBST-YNEHKIRRSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C(=O)OC)cc(=O)[nH]1	ZINC001225729827	811826600	/nfs/dbraw/zinc/82/66/00/811826600.db2.gz	DBCRJDSXGMBULJ-MRVPVSSYSA-N	-1	1	348.333	-0.193	20	30		EBEDMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCCN(CC#N)C1	ZINC001265707978	813363160	/nfs/dbraw/zinc/36/31/60/813363160.db2.gz	HZDZIJDSAYUAFM-QWHCGFSZSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](CNC(=O)CSCC#N)C2)nc1=O	ZINC001266739615	813658200	/nfs/dbraw/zinc/65/82/00/813658200.db2.gz	AREASHRWVSMXOD-NSHDSACASA-N	-1	1	338.437	-0.307	20	30		EBEDMM
C=CCN1C[C@H]2OCCN(C(=O)c3cc(=O)n4[n-]cnc4n3)[C@H]2C1	ZINC001083246984	814235609	/nfs/dbraw/zinc/23/56/09/814235609.db2.gz	VJVNWNGODWNXDL-NWDGAFQWSA-N	-1	1	330.348	-0.871	20	30		EBEDMM
C#CCCN1CC[C@@H]2CN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)[C@@H]2C1	ZINC001084726555	815969370	/nfs/dbraw/zinc/96/93/70/815969370.db2.gz	AVTBMBRQQBPLRR-TZMCWYRMSA-N	-1	1	340.387	-0.373	20	30		EBEDMM
C=C1CCC(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001090548340	817530145	/nfs/dbraw/zinc/53/01/45/817530145.db2.gz	XGRQTMISFHORCW-UONOGXRCSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=CCCC[N@@H+]1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@H]1C	ZINC001277758167	817633123	/nfs/dbraw/zinc/63/31/23/817633123.db2.gz	CCYLSKGMWGPKRJ-LLVKDONJSA-N	-1	1	345.411	-0.311	20	30		EBEDMM
C=CCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@H]1C	ZINC001277758167	817633125	/nfs/dbraw/zinc/63/31/25/817633125.db2.gz	CCYLSKGMWGPKRJ-LLVKDONJSA-N	-1	1	345.411	-0.311	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@@]2(O)CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001278804364	817839514	/nfs/dbraw/zinc/83/95/14/817839514.db2.gz	ABNPEQATAAKFCG-KRWDZBQOSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
Cc1cc(NCCNC(=O)c2cc(=O)n3[n-]cnc3n2)c(C#N)cn1	ZINC001093746315	818094056	/nfs/dbraw/zinc/09/40/56/818094056.db2.gz	DYFKVHZWZVGFDJ-UHFFFAOYSA-N	-1	1	338.331	-0.744	20	30		EBEDMM
C#CCCN1CC(N2C[C@H](NC(=O)c3ncccc3[O-])CC2=O)C1	ZINC001094730798	818381147	/nfs/dbraw/zinc/38/11/47/818381147.db2.gz	IWKZTWQIYSRGLU-GFCCVEGCSA-N	-1	1	328.372	-0.175	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001282802196	818494983	/nfs/dbraw/zinc/49/49/83/818494983.db2.gz	XXOLCLXMGUZCOZ-RYUDHWBXSA-N	-1	1	335.408	-0.527	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)nc1=O	ZINC001095331012	818604134	/nfs/dbraw/zinc/60/41/34/818604134.db2.gz	WHLWZYAQCJNHAR-AGIUHOORSA-N	-1	1	341.375	-0.157	20	30		EBEDMM
C=CCCC(=O)N1CC[C@H](N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283372277	818781852	/nfs/dbraw/zinc/78/18/52/818781852.db2.gz	VOEMRZXHQOWQPS-ZDUSSCGKSA-N	-1	1	348.403	-0.048	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1	ZINC001284859181	819374793	/nfs/dbraw/zinc/37/47/93/819374793.db2.gz	XYDBBMMYYRJAKT-LBPRGKRZSA-N	-1	1	344.371	-0.353	20	30		EBEDMM
C=CC(C)(C)CC(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001284907932	819400651	/nfs/dbraw/zinc/40/06/51/819400651.db2.gz	SADYZCMITMDICL-UHFFFAOYSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=C[C@@H](CC)CC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001284935695	819418204	/nfs/dbraw/zinc/41/82/04/819418204.db2.gz	YWXGVHKPSZSESC-JTQLQIEISA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCCC1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001099987353	819994495	/nfs/dbraw/zinc/99/44/95/819994495.db2.gz	ZBBCAIWFQGZPSU-OLZOCXBDSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001288072170	820230156	/nfs/dbraw/zinc/23/01/56/820230156.db2.gz	AKGWUDOROMBDDK-SCRDCRAPSA-N	-1	1	349.387	-0.073	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001294190993	820895697	/nfs/dbraw/zinc/89/56/97/820895697.db2.gz	TWMIVRNNGNDXLS-LLVKDONJSA-N	-1	1	335.364	-0.949	20	30		EBEDMM
C=CCCC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001294773537	820996325	/nfs/dbraw/zinc/99/63/25/820996325.db2.gz	OMCVWXUWDZZSFU-LBPRGKRZSA-N	-1	1	334.376	-0.390	20	30		EBEDMM
O=C(C#CC1CC1)N[C@H]1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001295201836	821060532	/nfs/dbraw/zinc/06/05/32/821060532.db2.gz	XURLCCBPUUFVBJ-BETUJISGSA-N	-1	1	344.371	-0.897	20	30		EBEDMM
CC#CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108340535	824228194	/nfs/dbraw/zinc/22/81/94/824228194.db2.gz	DFTKKBSYOAOXCM-MRXNPFEDSA-N	-1	1	344.375	-0.738	20	30		EBEDMM
C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108444652	824289250	/nfs/dbraw/zinc/28/92/50/824289250.db2.gz	AJSBKJXXBZACEI-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110545916	824751541	/nfs/dbraw/zinc/75/15/41/824751541.db2.gz	FSTKYZWLRLJTCP-LPWJVIDDSA-N	-1	1	333.392	-0.632	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110553331	824752158	/nfs/dbraw/zinc/75/21/58/824752158.db2.gz	KEAZJFZGUCQXDU-UPJWGTAASA-N	-1	1	333.392	-0.630	20	30		EBEDMM
C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113995559	826108824	/nfs/dbraw/zinc/10/88/24/826108824.db2.gz	FFNIPEIYNSTVBV-CIQGVGRVSA-N	-1	1	335.408	-0.364	20	30		EBEDMM
Cc1ncc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])[nH]1	ZINC001146878530	830235685	/nfs/dbraw/zinc/23/56/85/830235685.db2.gz	XKOFYRWAEJMHIX-VIFPVBQESA-N	-1	1	338.326	-0.126	20	30		EBEDMM
Cn1nnc2c(C(=O)[N-]c3nc4ncccc4cc3C#N)ncn2c1=O	ZINC001152746228	831186509	/nfs/dbraw/zinc/18/65/09/831186509.db2.gz	JARONTWMGXUPPE-UHFFFAOYSA-N	-1	1	347.298	-0.110	20	30		EBEDMM
C=CCn1cc(C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)nn1	ZINC001167414794	832336595	/nfs/dbraw/zinc/33/65/95/832336595.db2.gz	XXGULKHQHAMPAV-UHFFFAOYSA-N	-1	1	346.395	-0.022	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187755650	833965661	/nfs/dbraw/zinc/96/56/61/833965661.db2.gz	PODYOMUPZDFPDE-HWWQOWPSSA-N	-1	1	335.408	-0.532	20	30		EBEDMM
COCC#CCN(C)[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001191120495	834416511	/nfs/dbraw/zinc/41/65/11/834416511.db2.gz	VFAOXHBERNOSJG-LBPRGKRZSA-N	-1	1	349.391	-0.602	20	30		EBEDMM
C[C@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001193149298	834805478	/nfs/dbraw/zinc/80/54/78/834805478.db2.gz	NERLBRUEQBIPGI-SSDOTTSWSA-N	-1	1	332.363	-0.303	20	30		EBEDMM
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-][C@H](C#N)C(N)=O)C1	ZINC001201715587	836182304	/nfs/dbraw/zinc/18/23/04/836182304.db2.gz	HAHVJAFFBIEUGB-RKDXNWHRSA-N	-1	1	332.382	-0.707	20	30		EBEDMM
C=CCCOCC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202208764	836274546	/nfs/dbraw/zinc/27/45/46/836274546.db2.gz	VDMCGXBBKTVPOO-GFCCVEGCSA-N	-1	1	339.396	-0.190	20	30		EBEDMM
O=S1(=O)[N-]/C(=N/Cc2nc(Cn3cncn3)no2)c2ccccc21	ZINC001320230879	838717280	/nfs/dbraw/zinc/71/72/80/838717280.db2.gz	AFRDSRWGEFDFMQ-UHFFFAOYSA-N	-1	1	345.344	-0.052	20	30		EBEDMM
C#CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCN(CC#N)CC1	ZINC001324427388	839656130	/nfs/dbraw/zinc/65/61/30/839656130.db2.gz	XSSWYXSHCJNCRP-UHFFFAOYSA-N	-1	1	343.387	-0.624	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001327635072	840480121	/nfs/dbraw/zinc/48/01/21/840480121.db2.gz	QRJGMGLEVOEINU-CQSZACIVSA-N	-1	1	339.396	-0.408	20	30		EBEDMM
C=CCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001345761898	843431435	/nfs/dbraw/zinc/43/14/35/843431435.db2.gz	OINNBEWEWFYPGU-AAEUAGOBSA-N	-1	1	335.360	-0.319	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573285171	946770180	/nfs/dbraw/zinc/77/01/80/946770180.db2.gz	DVWIMGDHIKEPNA-GHMZBOCLSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573285171	946770183	/nfs/dbraw/zinc/77/01/83/946770183.db2.gz	DVWIMGDHIKEPNA-GHMZBOCLSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573288738	946877983	/nfs/dbraw/zinc/87/79/83/946877983.db2.gz	YIYANIQNHOXCBG-VHSXEESVSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573288738	946877997	/nfs/dbraw/zinc/87/79/97/946877997.db2.gz	YIYANIQNHOXCBG-VHSXEESVSA-N	-1	1	330.352	-0.388	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573560538	946953118	/nfs/dbraw/zinc/95/31/18/946953118.db2.gz	CZZFBHNYJJDLBM-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573561222	946960042	/nfs/dbraw/zinc/96/00/42/946960042.db2.gz	JEUGZVJYTRFTNU-VHSXEESVSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573561222	946960054	/nfs/dbraw/zinc/96/00/54/946960054.db2.gz	JEUGZVJYTRFTNU-VHSXEESVSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573294473	946990898	/nfs/dbraw/zinc/99/08/98/946990898.db2.gz	GIDKSGNSAUNXTM-JQWIXIFHSA-N	-1	1	344.379	-0.412	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1	ZINC001573570071	947083038	/nfs/dbraw/zinc/08/30/38/947083038.db2.gz	JRMBJYRITAGLEQ-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1	ZINC001573570071	947083052	/nfs/dbraw/zinc/08/30/52/947083052.db2.gz	JRMBJYRITAGLEQ-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573570432	947090071	/nfs/dbraw/zinc/09/00/71/947090071.db2.gz	OMPBYMPKFCXSKT-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573570432	947090079	/nfs/dbraw/zinc/09/00/79/947090079.db2.gz	OMPBYMPKFCXSKT-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571760	947102297	/nfs/dbraw/zinc/10/22/97/947102297.db2.gz	APPNETDTUXNKMR-LKFCYVNXSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573575603	947141759	/nfs/dbraw/zinc/14/17/59/947141759.db2.gz	ADKFQMFSFZRMGO-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573575603	947141766	/nfs/dbraw/zinc/14/17/66/947141766.db2.gz	ADKFQMFSFZRMGO-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573583570	947206520	/nfs/dbraw/zinc/20/65/20/947206520.db2.gz	MYWPFXLYDZIQNU-NXEZZACHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573583570	947206528	/nfs/dbraw/zinc/20/65/28/947206528.db2.gz	MYWPFXLYDZIQNU-NXEZZACHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573584348	947218781	/nfs/dbraw/zinc/21/87/81/947218781.db2.gz	UWTYNOINQGZZPW-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573584348	947218787	/nfs/dbraw/zinc/21/87/87/947218787.db2.gz	UWTYNOINQGZZPW-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1	ZINC001573584341	947219705	/nfs/dbraw/zinc/21/97/05/947219705.db2.gz	UPDXAECRULURSL-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1	ZINC001573584341	947219716	/nfs/dbraw/zinc/21/97/16/947219716.db2.gz	UPDXAECRULURSL-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584854	947235094	/nfs/dbraw/zinc/23/50/94/947235094.db2.gz	AFWMGZVXNRLBHH-OPRDCNLKSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001573585374	947254233	/nfs/dbraw/zinc/25/42/33/947254233.db2.gz	FARZPXVSPCRIQB-VIFPVBQESA-N	-1	1	336.381	-0.312	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1	ZINC001573585374	947254243	/nfs/dbraw/zinc/25/42/43/947254243.db2.gz	FARZPXVSPCRIQB-VIFPVBQESA-N	-1	1	336.381	-0.312	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C	ZINC001573585485	947257911	/nfs/dbraw/zinc/25/79/11/947257911.db2.gz	QCLMYLIDNQWBSS-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C	ZINC001573585485	947257921	/nfs/dbraw/zinc/25/79/21/947257921.db2.gz	QCLMYLIDNQWBSS-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](CC#N)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574470563	949507688	/nfs/dbraw/zinc/50/76/88/949507688.db2.gz	FIQLPVDFNBQMOI-QMMMGPOBSA-N	-1	1	332.324	-0.720	20	30		EBEDMM
N#CCCN1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1	ZINC001570949586	949649895	/nfs/dbraw/zinc/64/98/95/949649895.db2.gz	QUVIKHOGTKEFKX-UHFFFAOYSA-N	-1	1	348.392	-0.518	20	30		EBEDMM
CN1CC[C@H](N2CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2)C1=O	ZINC001588869879	962042210	/nfs/dbraw/zinc/04/22/10/962042210.db2.gz	AJPMCBPGHLTFFB-LRDDRELGSA-N	-1	1	336.392	-0.198	20	30		EBEDMM
CN1CC[C@H](N2CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)C1=O	ZINC001588869878	962043904	/nfs/dbraw/zinc/04/39/04/962043904.db2.gz	AJPMCBPGHLTFFB-BLLLJJGKSA-N	-1	1	336.392	-0.198	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CNC(=O)[O-])CC1	ZINC001573367896	963072417	/nfs/dbraw/zinc/07/24/17/963072417.db2.gz	DLZUJHCNMXBCJM-LLVKDONJSA-N	-1	1	326.397	-0.227	20	30		EBEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001588463854	983492831	/nfs/dbraw/zinc/49/28/31/983492831.db2.gz	PFMHYXBIBIUIFE-UHFFFAOYSA-N	-1	1	340.405	-0.314	20	30		EBEDMM
C#CCN(C(=O)COCCC)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001671460955	1125803470	/nfs/dbraw/zinc/80/34/70/1125803470.db2.gz	SUXTYUNIXHTURM-UHFFFAOYSA-N	-1	1	349.435	-0.039	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2nc(C#N)cs2)c(=O)[nH]c1=O	ZINC001414349679	1126319579	/nfs/dbraw/zinc/31/95/79/1126319579.db2.gz	HKMWLUAGGQUIPJ-UHFFFAOYSA-N	-1	1	327.347	-0.707	20	30		EBEDMM
C=CCCCC(=O)NC1(CO)CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001485024008	1126668350	/nfs/dbraw/zinc/66/83/50/1126668350.db2.gz	JLOZLUYTJPTFOQ-UHFFFAOYSA-N	-1	1	337.424	-0.092	20	30		EBEDMM
C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001486348995	1127161438	/nfs/dbraw/zinc/16/14/38/1127161438.db2.gz	MQUMLZCXVDXFBO-LBPRGKRZSA-N	-1	1	337.424	-0.284	20	30		EBEDMM
C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001092101340	1128180975	/nfs/dbraw/zinc/18/09/75/1128180975.db2.gz	XXVMMYCTRBBWSD-WBMJQRKESA-N	-1	1	331.376	-0.769	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ncccc2[O-])cn1	ZINC001487975342	1128471234	/nfs/dbraw/zinc/47/12/34/1128471234.db2.gz	DBPMFZAWHWPRQZ-CYBMUJFWSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ncccc2[O-])cn1	ZINC001488053623	1128552481	/nfs/dbraw/zinc/55/24/81/1128552481.db2.gz	OZBGOMDVBWPNND-CYBMUJFWSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1	ZINC001491208517	1130358947	/nfs/dbraw/zinc/35/89/47/1130358947.db2.gz	RQIRQVJQOVGRMC-WBMJQRKESA-N	-1	1	337.424	-0.094	20	30		EBEDMM
C[C@H](O)CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362409575	1131577629	/nfs/dbraw/zinc/57/76/29/1131577629.db2.gz	RZIOLSZFAQVZOH-NEPJUHHUSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
CC[C@@](COC)([N-]S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC	ZINC001363953385	1132141461	/nfs/dbraw/zinc/14/14/61/1132141461.db2.gz	ZDOWNZYFIXYAKO-JQWIXIFHSA-N	-1	1	335.382	-0.987	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364039010	1132177794	/nfs/dbraw/zinc/17/77/94/1132177794.db2.gz	AUWBHUUUTSOYPA-SECBINFHSA-N	-1	1	341.393	-0.319	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)[n-]n1	ZINC001365452711	1132685267	/nfs/dbraw/zinc/68/52/67/1132685267.db2.gz	PTNSCUUPBNZNPM-SNVBAGLBSA-N	-1	1	339.377	-0.443	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)n[n-]1	ZINC001365452711	1132685274	/nfs/dbraw/zinc/68/52/74/1132685274.db2.gz	PTNSCUUPBNZNPM-SNVBAGLBSA-N	-1	1	339.377	-0.443	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001368715199	1134403568	/nfs/dbraw/zinc/40/35/68/1134403568.db2.gz	HCJJHKBRPKDQCW-VXGBXAGGSA-N	-1	1	336.396	-0.947	20	30		EBEDMM
COCC(CCCNC(=O)OC(C)(C)C)N=NC1=NC(=O)C(=O)[N-]1	ZINC000497315364	377541504	/nfs/dbraw/zinc/54/15/04/377541504.db2.gz	PPEODFHXCJIWAN-UHFFFAOYSA-N	-1	1	341.368	-0.104	20	30		EBEDMM
CNS(=O)(=O)NC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1	ZINC000593674433	377908566	/nfs/dbraw/zinc/90/85/66/377908566.db2.gz	TUXVDUYPVXDTKR-UHFFFAOYSA-N	-1	1	338.389	-0.078	20	30		EBEDMM
CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000594823244	377961208	/nfs/dbraw/zinc/96/12/08/377961208.db2.gz	STGXICKPQFJUSH-QWRGUYRKSA-N	-1	1	336.435	-0.198	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC	ZINC000336929879	378582905	/nfs/dbraw/zinc/58/29/05/378582905.db2.gz	AQCTYJBAJJMTDG-VIFPVBQESA-N	-1	1	343.352	-0.120	20	30		EBEDMM
C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491450954	379599485	/nfs/dbraw/zinc/59/94/85/379599485.db2.gz	CSDPBRWBJCOELK-SNVBAGLBSA-N	-1	1	334.423	-0.127	20	30		EBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)C(=O)OC	ZINC000360611182	380265564	/nfs/dbraw/zinc/26/55/64/380265564.db2.gz	CJXOJHQXBVZHNN-LLVKDONJSA-N	-1	1	336.410	-0.324	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(=O)n(C)c1=O	ZINC000194129715	381034378	/nfs/dbraw/zinc/03/43/78/381034378.db2.gz	MDSFBDFTNDDFAD-NSHDSACASA-N	-1	1	340.405	-0.165	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[O-]	ZINC000442628607	265325414	/nfs/dbraw/zinc/32/54/14/265325414.db2.gz	YHLROBIJJAMBID-UHFFFAOYSA-N	-1	1	341.331	-0.765	20	30		EBEDMM
CC(C)CCC(=O)NCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000735796057	582907394	/nfs/dbraw/zinc/90/73/94/582907394.db2.gz	RMLREWLERUPTEE-UHFFFAOYSA-N	-1	1	331.340	-0.048	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1	ZINC000737709982	583024395	/nfs/dbraw/zinc/02/43/95/583024395.db2.gz	PLCHEGFXLULZJS-LBPRGKRZSA-N	-1	1	341.331	-0.599	20	30		EBEDMM
C#CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)OC	ZINC000841540564	583060874	/nfs/dbraw/zinc/06/08/74/583060874.db2.gz	NEXRQVMKXBFRBH-ZDUSSCGKSA-N	-1	1	342.417	-0.128	20	30		EBEDMM
C[C@@H](CC(=O)Nc1nnn[n-]1)N=C1NS(=O)(=O)c2ccccc21	ZINC000742687308	583081988	/nfs/dbraw/zinc/08/19/88/583081988.db2.gz	VKAYHSKCJLWNHH-ZETCQYMHSA-N	-1	1	335.349	-0.345	20	30		EBEDMM
C[C@@H](CC(=O)Nc1nn[n-]n1)N=C1NS(=O)(=O)c2ccccc21	ZINC000742687308	583081990	/nfs/dbraw/zinc/08/19/90/583081990.db2.gz	VKAYHSKCJLWNHH-ZETCQYMHSA-N	-1	1	335.349	-0.345	20	30		EBEDMM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NCC#N)c1F	ZINC000796216253	583595141	/nfs/dbraw/zinc/59/51/41/583595141.db2.gz	DOHZLAIDOJQJJH-UHFFFAOYSA-N	-1	1	347.299	-0.331	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819845858	583762288	/nfs/dbraw/zinc/76/22/88/583762288.db2.gz	XMOYLTRJFWTICM-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819845858	583762289	/nfs/dbraw/zinc/76/22/89/583762289.db2.gz	XMOYLTRJFWTICM-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C#CCOCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823856560	583838217	/nfs/dbraw/zinc/83/82/17/583838217.db2.gz	TWQCMYNXFDOZNN-UHFFFAOYSA-N	-1	1	325.325	-0.066	20	30		EBEDMM
C#CCOCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823856560	583838218	/nfs/dbraw/zinc/83/82/18/583838218.db2.gz	TWQCMYNXFDOZNN-UHFFFAOYSA-N	-1	1	325.325	-0.066	20	30		EBEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCSCC1	ZINC000824052026	583840649	/nfs/dbraw/zinc/84/06/49/583840649.db2.gz	KKOKAMGSIDKFBQ-SSDOTTSWSA-N	-1	1	333.381	-0.163	20	30		EBEDMM
CN(C)c1c(C=[NH+][N-]c2ccc(C(=O)[O-])nc2)c(=O)n(C)c(=O)n1C	ZINC000835010239	584040226	/nfs/dbraw/zinc/04/02/26/584040226.db2.gz	UNFWZSOZVIAVLO-UHFFFAOYSA-N	-1	1	346.347	-0.311	20	30		EBEDMM
C#CC[C@@H]([N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)OC	ZINC000841539698	584053732	/nfs/dbraw/zinc/05/37/32/584053732.db2.gz	FEJGCXKDVKTING-GHMZBOCLSA-N	-1	1	332.378	-0.587	20	30		EBEDMM
C#CCCN(CCOC)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000850726288	584187586	/nfs/dbraw/zinc/18/75/86/584187586.db2.gz	DLGLLYRSFQPOTI-UHFFFAOYSA-N	-1	1	329.360	-0.221	20	30		EBEDMM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	ZINC000855603053	584261182	/nfs/dbraw/zinc/26/11/82/584261182.db2.gz	KOPVJCOLUUETCC-SNVBAGLBSA-N	-1	1	337.357	-0.632	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000941624741	652840882	/nfs/dbraw/zinc/84/08/82/652840882.db2.gz	RWCYABMNPFVNHY-LBPRGKRZSA-N	-1	1	347.375	-0.853	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000941624740	652841047	/nfs/dbraw/zinc/84/10/47/652841047.db2.gz	RWCYABMNPFVNHY-GFCCVEGCSA-N	-1	1	347.375	-0.853	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000939398464	652925546	/nfs/dbraw/zinc/92/55/46/652925546.db2.gz	XJZBURYATTVSGN-DTWKUNHWSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000941967792	653009172	/nfs/dbraw/zinc/00/91/72/653009172.db2.gz	UHXFYKBRDWDNJU-PWSUYJOCSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
CC1(C)CN(CC#N)CC[C@@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000941164289	653436466	/nfs/dbraw/zinc/43/64/66/653436466.db2.gz	UNBBDHQXSRIXKT-NSHDSACASA-N	-1	1	329.364	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)C#N	ZINC000956188654	720394948	/nfs/dbraw/zinc/39/49/48/720394948.db2.gz	JYRZORFYOYOZRI-BDAKNGLRSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC000958602352	722400415	/nfs/dbraw/zinc/40/04/15/722400415.db2.gz	ZIGUEYJYUOLFBC-IWIIMEHWSA-N	-1	1	327.348	-0.832	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC000958619062	722403197	/nfs/dbraw/zinc/40/31/97/722403197.db2.gz	ZPRMRTLFEKZYLA-PJXYFTJBSA-N	-1	1	327.348	-0.832	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970447708	725292450	/nfs/dbraw/zinc/29/24/50/725292450.db2.gz	RSAOPDIJRIITIV-UHTWSYAYSA-N	-1	1	335.408	-0.364	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000971292536	725358313	/nfs/dbraw/zinc/35/83/13/725358313.db2.gz	VSCPAWLCCCISAE-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC000972285795	725491251	/nfs/dbraw/zinc/49/12/51/725491251.db2.gz	WARCLNXXTRJZCW-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C=CCCN1CCO[C@]2(CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1	ZINC000972492774	725534838	/nfs/dbraw/zinc/53/48/38/725534838.db2.gz	QNFACLYXJJUFRG-QGZVFWFLSA-N	-1	1	348.403	-0.021	20	30		EBEDMM
O=C(C#CC1CC1)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001011108194	727209333	/nfs/dbraw/zinc/20/93/33/727209333.db2.gz	KEAFSBUAEVDWEE-UHFFFAOYSA-N	-1	1	344.371	-0.989	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)c1	ZINC001023326876	729664054	/nfs/dbraw/zinc/66/40/54/729664054.db2.gz	CJPUJYAFIDXHTF-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC001026400617	730143480	/nfs/dbraw/zinc/14/34/80/730143480.db2.gz	MKOBDCJDUYNDPN-GARJFASQSA-N	-1	1	327.348	-0.619	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC001027833980	730241693	/nfs/dbraw/zinc/24/16/93/730241693.db2.gz	SJWMESCSPBLPDY-LLVKDONJSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
N#Cc1ccc(CN2CC(NC(=O)c3cc(=O)n4[n-]cnc4n3)C2)cc1	ZINC001031250127	730693853	/nfs/dbraw/zinc/69/38/53/730693853.db2.gz	UUSRKECAIOWJAJ-UHFFFAOYSA-N	-1	1	349.354	-0.097	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001033406455	731019350	/nfs/dbraw/zinc/01/93/50/731019350.db2.gz	WMISRGGRTMKFPQ-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001033593701	731045456	/nfs/dbraw/zinc/04/54/56/731045456.db2.gz	PIJMEJCMKBWLBR-ZDUSSCGKSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC001040995860	731955515	/nfs/dbraw/zinc/95/55/15/731955515.db2.gz	POYMYYQBFHXSQC-DGCLKSJQSA-N	-1	1	340.343	-0.263	20	30		EBEDMM
N#CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC001041785945	732226410	/nfs/dbraw/zinc/22/64/10/732226410.db2.gz	BPCLGODDKOHKJO-OAHLLOKOSA-N	-1	1	327.348	-0.521	20	30		EBEDMM
N#CCN1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001042312068	732404036	/nfs/dbraw/zinc/40/40/36/732404036.db2.gz	MTJKWCDXXBJIPN-ZYHUDNBSSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042719433	732549981	/nfs/dbraw/zinc/54/99/81/732549981.db2.gz	CMCARZMQZZTZCI-LLVKDONJSA-N	-1	1	335.360	-0.319	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001046781081	734026648	/nfs/dbraw/zinc/02/66/48/734026648.db2.gz	FUDNHAJVLYMAGT-QGZVFWFLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001047554510	734252120	/nfs/dbraw/zinc/25/21/20/734252120.db2.gz	ZRWXTNXRWUHDEA-STQMWFEESA-N	-1	1	331.376	-0.284	20	30		EBEDMM
C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048847320	734533879	/nfs/dbraw/zinc/53/38/79/734533879.db2.gz	FLYRQTXYCBHFBN-JSGCOSHPSA-N	-1	1	347.371	-0.529	20	30		EBEDMM
C#CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982691	736133788	/nfs/dbraw/zinc/13/37/88/736133788.db2.gz	OGHDTYKNAFVYOJ-SECBINFHSA-N	-1	1	334.332	-0.897	20	30		EBEDMM
N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2ncccc2[O-])c[nH]1	ZINC001057410133	737230126	/nfs/dbraw/zinc/23/01/26/737230126.db2.gz	DHUFHBYTAMCZIM-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
C#CCNC(=O)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1	ZINC001062839255	739002526	/nfs/dbraw/zinc/00/25/26/739002526.db2.gz	JOMHIYMRTKOPAZ-UHFFFAOYSA-N	-1	1	344.371	-0.305	20	30		EBEDMM
N#Cc1cncc(N2C[C@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067665329	740178162	/nfs/dbraw/zinc/17/81/62/740178162.db2.gz	MZDNWMOYFCQVIU-GWCFXTLKSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](n2ccnn2)C1	ZINC001069909911	740614081	/nfs/dbraw/zinc/61/40/81/740614081.db2.gz	WIDPSERHQXVAQT-NEPJUHHUSA-N	-1	1	329.364	-0.306	20	30		EBEDMM
N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ncccc2[O-])n1	ZINC001070585085	740879678	/nfs/dbraw/zinc/87/96/78/740879678.db2.gz	PWNQQSSPGOFGNL-JTQLQIEISA-N	-1	1	343.347	-0.268	20	30		EBEDMM
N#CCN1CCOC[C@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1	ZINC001070585085	740879680	/nfs/dbraw/zinc/87/96/80/740879680.db2.gz	PWNQQSSPGOFGNL-JTQLQIEISA-N	-1	1	343.347	-0.268	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001070636125	740903350	/nfs/dbraw/zinc/90/33/50/740903350.db2.gz	JYCWGWMLKSTJDF-GFCCVEGCSA-N	-1	1	344.371	-0.353	20	30		EBEDMM
CC#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071186881	741081540	/nfs/dbraw/zinc/08/15/40/741081540.db2.gz	XUAHKLJFYADZMK-MEDUHNTESA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001076424404	742463586	/nfs/dbraw/zinc/46/35/86/742463586.db2.gz	TZTBNUDLYUFCHZ-LBPRGKRZSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001078131887	743488915	/nfs/dbraw/zinc/48/89/15/743488915.db2.gz	CBHSELDRHTWWDP-IUCAKERBSA-N	-1	1	331.336	-0.798	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N	ZINC001078132217	743489430	/nfs/dbraw/zinc/48/94/30/743489430.db2.gz	NARYVVXNNXPCJW-SFYZADRCSA-N	-1	1	337.336	-0.319	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1	ZINC000979299184	805276974	/nfs/dbraw/zinc/27/69/74/805276974.db2.gz	YNZVPPLPIVCXGA-SKDRFNHKSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)nn1	ZINC000989535740	808497965	/nfs/dbraw/zinc/49/79/65/808497965.db2.gz	FJJAJJJXBRPANB-VHSXEESVSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
C#CCCCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001217752104	810460163	/nfs/dbraw/zinc/46/01/63/810460163.db2.gz	AJSQHUQYIQQIEK-QWHCGFSZSA-N	-1	1	333.392	-0.677	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001015821145	810592123	/nfs/dbraw/zinc/59/21/23/810592123.db2.gz	RHOVLPLAFLJZEV-LLVKDONJSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001016021851	810655786	/nfs/dbraw/zinc/65/57/86/810655786.db2.gz	BFBUCSGVFKSIIT-LBPRGKRZSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
O=C1N=C(O[C@@H]2C=CCCC2)C(N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1	ZINC001227473447	811924678	/nfs/dbraw/zinc/92/46/78/811924678.db2.gz	KLAFJYWTILNKCE-ZCFIWIBFSA-N	-1	1	347.287	-0.186	20	30		EBEDMM
COCC#CCN1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001229499983	812036493	/nfs/dbraw/zinc/03/64/93/812036493.db2.gz	GFMDIGRXVDEPKL-UHFFFAOYSA-N	-1	1	343.387	-0.133	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)nn1	ZINC001080579210	812075008	/nfs/dbraw/zinc/07/50/08/812075008.db2.gz	UWXZMKHXTQJVKE-GHMZBOCLSA-N	-1	1	346.395	-0.864	20	30		EBEDMM
C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncccc2[O-])C1	ZINC001230450280	812143406	/nfs/dbraw/zinc/14/34/06/812143406.db2.gz	WPMGHMVPVKEDBU-LBPRGKRZSA-N	-1	1	337.401	-0.361	20	30		EBEDMM
CN(CCOCCN(C)C(=O)C#CC1CC1)Cc1nc(=O)n(C)[n-]1	ZINC001264106236	813153235	/nfs/dbraw/zinc/15/32/35/813153235.db2.gz	TVZIPJICBOUCGV-UHFFFAOYSA-N	-1	1	335.408	-0.571	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)C1	ZINC001082110974	813769058	/nfs/dbraw/zinc/76/90/58/813769058.db2.gz	ORWNOWVHMKLJGJ-VXGBXAGGSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#CCCCC(=O)N(C)CCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001267572476	813935218	/nfs/dbraw/zinc/93/52/18/813935218.db2.gz	LUOGNNVEGBCTQT-UHFFFAOYSA-N	-1	1	348.451	-0.512	20	30		EBEDMM
C#CCCN1C[C@H]2OCCN(C(=O)c3c[n-]n4c3nccc4=O)[C@H]2C1	ZINC001083217313	814207993	/nfs/dbraw/zinc/20/79/93/814207993.db2.gz	RXRCGQBWQRJLFU-UONOGXRCSA-N	-1	1	341.371	-0.429	20	30		EBEDMM
COCC#CCN(C)C[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001268749316	814376989	/nfs/dbraw/zinc/37/69/89/814376989.db2.gz	URWLVEARAFLXFT-LBPRGKRZSA-N	-1	1	331.376	-0.278	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1	ZINC001083612108	814623893	/nfs/dbraw/zinc/62/38/93/814623893.db2.gz	BWPKDBJGFXZYIU-CABCVRRESA-N	-1	1	334.420	-0.441	20	30		EBEDMM
C=CCN1C(=O)COCC12CN(C(=O)c1c([O-])c(C)ncc1CO)C2	ZINC001269418697	814683977	/nfs/dbraw/zinc/68/39/77/814683977.db2.gz	BIDRPAWJEDMUDL-UHFFFAOYSA-N	-1	1	347.371	-0.173	20	30		EBEDMM
N#CCCCNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2	ZINC001269576325	814734376	/nfs/dbraw/zinc/73/43/76/814734376.db2.gz	IPCWBTLVHDGOIU-LLVKDONJSA-N	-1	1	331.380	-0.209	20	30		EBEDMM
C=C(C)CN1C(=O)C[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269577814	814735648	/nfs/dbraw/zinc/73/56/48/814735648.db2.gz	OGXRWWMXPZKALW-OAHLLOKOSA-N	-1	1	332.364	-0.314	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001084672711	815961510	/nfs/dbraw/zinc/96/15/10/815961510.db2.gz	JZBAIARKKFGWKT-SYQHCUMBSA-N	-1	1	347.419	-0.268	20	30		EBEDMM
N#CCN[C@@H]1CCCCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001088399303	816677208	/nfs/dbraw/zinc/67/72/08/816677208.db2.gz	HSALAELEMLHNIK-CYBMUJFWSA-N	-1	1	333.392	-0.189	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1	ZINC001090404644	817365645	/nfs/dbraw/zinc/36/56/45/817365645.db2.gz	UCZXNBBWNINZAN-CVEARBPZSA-N	-1	1	348.447	-0.050	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1nccnc1C#N	ZINC001093760910	818097321	/nfs/dbraw/zinc/09/73/21/818097321.db2.gz	KAYRARXUWJQJCE-UHFFFAOYSA-N	-1	1	331.292	-0.600	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001281828355	818288924	/nfs/dbraw/zinc/28/89/24/818288924.db2.gz	JFABRXCDUQWWKL-TZMCWYRMSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001097879366	819049215	/nfs/dbraw/zinc/04/92/15/819049215.db2.gz	OOHZEJKTSCJAPR-POQQGIQPSA-N	-1	1	347.419	-0.079	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1cnc(C#N)cn1	ZINC001097939887	819059319	/nfs/dbraw/zinc/05/93/19/819059319.db2.gz	PLEVSIAAJVOWHG-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ncccc1C#N	ZINC001097949941	819061771	/nfs/dbraw/zinc/06/17/71/819061771.db2.gz	FVMAPQLDPPANRV-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C#CCOCCC(=O)N[C@]12CCC[C@@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001284051859	819080158	/nfs/dbraw/zinc/08/01/58/819080158.db2.gz	RPKJBOCXLUVVEQ-GUYCJALGSA-N	-1	1	347.419	-0.239	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001284742388	819343495	/nfs/dbraw/zinc/34/34/95/819343495.db2.gz	JIPKEVYXVRXEQI-LLVKDONJSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C#CCN[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C(F)(F)F	ZINC001099288245	819445213	/nfs/dbraw/zinc/44/52/13/819445213.db2.gz	HCFQRXRPAIWTBF-NXEZZACHSA-N	-1	1	344.293	-0.288	20	30		EBEDMM
C#CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1	ZINC001099874210	819814708	/nfs/dbraw/zinc/81/47/08/819814708.db2.gz	HVKPYTZOVCURIP-QWHCGFSZSA-N	-1	1	347.419	-0.647	20	30		EBEDMM
C#CCN1CC[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1	ZINC001100125259	820257246	/nfs/dbraw/zinc/25/72/46/820257246.db2.gz	VDZCMFJZWYYNKT-ZJUUUORDSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1cncc(C#N)n1	ZINC001101699360	820884127	/nfs/dbraw/zinc/88/41/27/820884127.db2.gz	VZOCVCDBAJJBOV-UHFFFAOYSA-N	-1	1	345.319	-0.258	20	30		EBEDMM
C=CCCC(=O)NC/C=C\CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001298299780	821504367	/nfs/dbraw/zinc/50/43/67/821504367.db2.gz	CBQKQQNGHZRDPO-PLNGDYQASA-N	-1	1	330.348	-0.214	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001299079974	821645268	/nfs/dbraw/zinc/64/52/68/821645268.db2.gz	JYKRQPVPOAVYIK-SNVBAGLBSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001317746551	822206533	/nfs/dbraw/zinc/20/65/33/822206533.db2.gz	LWLSMPPMDUZGCY-BETUJISGSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
C=CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108341449	824228888	/nfs/dbraw/zinc/22/88/88/824228888.db2.gz	ZKLFQCJRUBZWLT-OAHLLOKOSA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C[C@@H](CNc1ccncc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108445106	824289516	/nfs/dbraw/zinc/28/95/16/824289516.db2.gz	PEDLNASBQXLKDK-NSHDSACASA-N	-1	1	342.359	-0.768	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1nccnc1C#N	ZINC001108461213	824295615	/nfs/dbraw/zinc/29/56/15/824295615.db2.gz	CZGXFBBNHGAHBZ-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2	ZINC001109175318	824496868	/nfs/dbraw/zinc/49/68/68/824496868.db2.gz	GANROLZDOLUWJY-AGIUHOORSA-N	-1	1	328.372	-0.128	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)Cc1ccc(N2CCNC2=O)cc1	ZINC001182050547	833197467	/nfs/dbraw/zinc/19/74/67/833197467.db2.gz	IVHNZPVFRRWZCV-UHFFFAOYSA-N	-1	1	345.319	-0.033	20	30		EBEDMM
CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ncccc1[O-]	ZINC001124329801	827816062	/nfs/dbraw/zinc/81/60/62/827816062.db2.gz	SDLUVMKVCBKBBW-LLVKDONJSA-N	-1	1	328.332	-0.006	20	30		EBEDMM
C[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1CNCC#N	ZINC001133171483	829597735	/nfs/dbraw/zinc/59/77/35/829597735.db2.gz	ZKAMKQJSGNMABO-STQMWFEESA-N	-1	1	333.392	-0.476	20	30		EBEDMM
Cc1[nH]ncc1CCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001136188765	830084778	/nfs/dbraw/zinc/08/47/78/830084778.db2.gz	VVWLHFOLYDZMNX-UHFFFAOYSA-N	-1	1	330.348	-0.009	20	30		EBEDMM
Cc1ccc(S(=O)(=O)CC(=O)N([O-])C(=N)c2nonc2N)cc1	ZINC001142991624	830140706	/nfs/dbraw/zinc/14/07/06/830140706.db2.gz	KXVWJWSHFKRTJD-UHFFFAOYSA-N	-1	1	339.333	-0.023	20	30		EBEDMM
C=CCCOCC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001148894002	830551765	/nfs/dbraw/zinc/55/17/65/830551765.db2.gz	ZRJIEOLZKKTBNO-UHFFFAOYSA-N	-1	1	335.408	-0.265	20	30		EBEDMM
N=C(c1nonc1N)N(O)C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148915549	830555305	/nfs/dbraw/zinc/55/53/05/830555305.db2.gz	SPJRUCPCLNRSTE-UHFFFAOYSA-N	-1	1	343.277	-0.539	20	30		EBEDMM
C=CCN1CCCO[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001149936357	830785136	/nfs/dbraw/zinc/78/51/36/830785136.db2.gz	CPFANFRKSUFGFS-NSHDSACASA-N	-1	1	337.380	-0.392	20	30		EBEDMM
C#CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)OC	ZINC001212123745	837549000	/nfs/dbraw/zinc/54/90/00/837549000.db2.gz	WAWVNIRCAXDCHU-QMMMGPOBSA-N	-1	1	330.322	-0.346	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001354621552	832507830	/nfs/dbraw/zinc/50/78/30/832507830.db2.gz	YLTOCVPNDDYYGK-NSHDSACASA-N	-1	1	336.392	-0.240	20	30		EBEDMM
C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001176955716	832718416	/nfs/dbraw/zinc/71/84/16/832718416.db2.gz	XZMOITLNCFKYJS-OLZOCXBDSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
Cn1c2ccccc2n(CC(=O)N([O-])C(=N)c2nonc2N)c1=O	ZINC001178787663	832914520	/nfs/dbraw/zinc/91/45/20/832914520.db2.gz	FWYPDIKRPMOPEY-UHFFFAOYSA-N	-1	1	331.292	-0.451	20	30		EBEDMM
C=CCCOCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001190424794	834266997	/nfs/dbraw/zinc/26/69/97/834266997.db2.gz	GCJBUPCNLABULH-QWHCGFSZSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
COCC#CCN(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001191674340	834528394	/nfs/dbraw/zinc/52/83/94/834528394.db2.gz	HBMRWXVOFNRNMG-LBPRGKRZSA-N	-1	1	334.376	-0.718	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1cc(N2CCCNC2=O)ncn1	ZINC001199423579	835807787	/nfs/dbraw/zinc/80/77/87/835807787.db2.gz	ZMBZKVUIUBDBLB-UHFFFAOYSA-N	-1	1	347.295	-0.782	20	30		EBEDMM
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-][C@@H](C#N)C(N)=O)C1	ZINC001201715566	836182099	/nfs/dbraw/zinc/18/20/99/836182099.db2.gz	HAHVJAFFBIEUGB-BDAKNGLRSA-N	-1	1	332.382	-0.707	20	30		EBEDMM
C=CCCOCC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202208766	836274933	/nfs/dbraw/zinc/27/49/33/836274933.db2.gz	VDMCGXBBKTVPOO-LBPRGKRZSA-N	-1	1	339.396	-0.190	20	30		EBEDMM
CC#CCCCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001319320780	838110498	/nfs/dbraw/zinc/11/04/98/838110498.db2.gz	YPVQIAWIAIKFGI-ZDUSSCGKSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001325837046	839952899	/nfs/dbraw/zinc/95/28/99/839952899.db2.gz	PBXIMQSRTLRVLM-QGZVFWFLSA-N	-1	1	348.403	-0.354	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1	ZINC001325898262	839970160	/nfs/dbraw/zinc/97/01/60/839970160.db2.gz	HWMBQZQDVBHJMJ-HZSPNIEDSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C=CCCC(=O)N1CC([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001335070455	842183264	/nfs/dbraw/zinc/18/32/64/842183264.db2.gz	POHFNVFAAKNGFV-GFCCVEGCSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573571086	947100395	/nfs/dbraw/zinc/10/03/95/947100395.db2.gz	YZBDOZJPLALXOM-RFAUZJTJSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573572070	947108973	/nfs/dbraw/zinc/10/89/73/947108973.db2.gz	DQDDXUPDXYTHTE-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573572070	947108980	/nfs/dbraw/zinc/10/89/80/947108980.db2.gz	DQDDXUPDXYTHTE-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573573468	947122059	/nfs/dbraw/zinc/12/20/59/947122059.db2.gz	NPPDSERICSPPQD-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573573468	947122067	/nfs/dbraw/zinc/12/20/67/947122067.db2.gz	NPPDSERICSPPQD-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
CC(C)[C@H](CNC(=O)[C@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573577371	947166677	/nfs/dbraw/zinc/16/66/77/947166677.db2.gz	ONDPPYNWCCFPGD-ZJUUUORDSA-N	-1	1	329.368	-0.209	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1	ZINC001573582175	947187420	/nfs/dbraw/zinc/18/74/20/947187420.db2.gz	BRFMNLBMFUTCRL-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1	ZINC001573582175	947187424	/nfs/dbraw/zinc/18/74/24/947187424.db2.gz	BRFMNLBMFUTCRL-SECBINFHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573586787	947294828	/nfs/dbraw/zinc/29/48/28/947294828.db2.gz	SYWUODVNMOHPAN-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573586787	947294838	/nfs/dbraw/zinc/29/48/38/947294838.db2.gz	SYWUODVNMOHPAN-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573587354	947307794	/nfs/dbraw/zinc/30/77/94/947307794.db2.gz	ZQQIEMNKXRRZSD-REIXXSIJSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573330002	947431488	/nfs/dbraw/zinc/43/14/88/947431488.db2.gz	SALRIWQLIVAMEJ-JTQLQIEISA-N	-1	1	332.368	-0.146	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573330002	947431497	/nfs/dbraw/zinc/43/14/97/947431497.db2.gz	SALRIWQLIVAMEJ-JTQLQIEISA-N	-1	1	332.368	-0.146	20	30		EBEDMM
CC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001573441105	948265401	/nfs/dbraw/zinc/26/54/01/948265401.db2.gz	FGTSHFLXTZPMAB-SECBINFHSA-N	-1	1	329.324	-0.199	20	30		EBEDMM
N#Cc1nc(N2CCO[C@@H](C(=O)C3CC3)C2)cnc1-c1nnn[n-]1	ZINC001570926141	948683948	/nfs/dbraw/zinc/68/39/48/948683948.db2.gz	WYJJRYLKLOKCTR-SNVBAGLBSA-N	-1	1	326.320	-0.287	20	30		EBEDMM
N#Cc1nc(N2CCO[C@@H](C(=O)C3CC3)C2)cnc1-c1nn[n-]n1	ZINC001570926141	948683953	/nfs/dbraw/zinc/68/39/53/948683953.db2.gz	WYJJRYLKLOKCTR-SNVBAGLBSA-N	-1	1	326.320	-0.287	20	30		EBEDMM
CC(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001570926601	948693475	/nfs/dbraw/zinc/69/34/75/948693475.db2.gz	BGTCYLFWBUDHPD-JTQLQIEISA-N	-1	1	327.352	-0.119	20	30		EBEDMM
C[C@H](CC#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1	ZINC001574472767	949557275	/nfs/dbraw/zinc/55/72/75/949557275.db2.gz	WDZKKJBJSOELLT-MRVPVSSYSA-N	-1	1	331.340	-0.085	20	30		EBEDMM
C[C@H](CC#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1	ZINC001574472767	949557285	/nfs/dbraw/zinc/55/72/85/949557285.db2.gz	WDZKKJBJSOELLT-MRVPVSSYSA-N	-1	1	331.340	-0.085	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)NCCCC(=O)[O-])c1ccn[nH]1	ZINC001590648545	950968667	/nfs/dbraw/zinc/96/86/67/950968667.db2.gz	TTXVOQIKMRMCDU-UHFFFAOYSA-N	-1	1	326.309	-0.326	20	30		EBEDMM
CON=CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001604662214	973842044	/nfs/dbraw/zinc/84/20/44/973842044.db2.gz	XKOXVOYGMCSPQY-HTRCEHHLSA-N	-1	1	325.243	-0.259	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605585811	973877690	/nfs/dbraw/zinc/87/76/90/973877690.db2.gz	ISFIXRFRWSLMJQ-APPZFPTMSA-N	-1	1	336.270	-0.778	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H](C)/C=C\C(=O)[O-])c1ccn[nH]1	ZINC001596629572	984611882	/nfs/dbraw/zinc/61/18/82/984611882.db2.gz	RRDMEIOWIOLFOA-DQUNAACTSA-N	-1	1	338.320	-0.161	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c1ccn[nH]1	ZINC001596629576	984612101	/nfs/dbraw/zinc/61/21/01/984612101.db2.gz	RRDMEIOWIOLFOA-PFTFPRCOSA-N	-1	1	338.320	-0.161	20	30		EBEDMM
COC(=O)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC001598818186	996293873	/nfs/dbraw/zinc/29/38/73/996293873.db2.gz	AHPVHQRRFBRHBM-KBPBESRZSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
COCC#CCN1CCC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001691086137	1125831519	/nfs/dbraw/zinc/83/15/19/1125831519.db2.gz	MSCZIMLGLJMMIX-LBPRGKRZSA-N	-1	1	349.391	-0.554	20	30		EBEDMM
C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nc[nH]c1=O	ZINC001481053040	1125914345	/nfs/dbraw/zinc/91/43/45/1125914345.db2.gz	PVGPPAFIVJZSMU-LBPRGKRZSA-N	-1	1	331.376	-0.566	20	30		EBEDMM
C=CCNC(=O)NC(=O)CN1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001481621789	1126024741	/nfs/dbraw/zinc/02/47/41/1126024741.db2.gz	VZZFLJVNDAAYRC-UHFFFAOYSA-N	-1	1	347.375	-0.539	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001484797521	1126636608	/nfs/dbraw/zinc/63/66/08/1126636608.db2.gz	RYXPRMJYGNTDIS-NSHDSACASA-N	-1	1	335.408	-0.220	20	30		EBEDMM
O=C(C#CC1CC1)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1	ZINC001487032198	1127374754	/nfs/dbraw/zinc/37/47/54/1127374754.db2.gz	DIWNSQHTKAFOAO-UHFFFAOYSA-N	-1	1	329.356	-0.106	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1	ZINC001412485251	1129539131	/nfs/dbraw/zinc/53/91/31/1129539131.db2.gz	DOXWAYMIPPNDKO-GFCCVEGCSA-N	-1	1	325.332	-0.183	20	30		EBEDMM
C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc[nH]c1=O	ZINC001491213944	1130360874	/nfs/dbraw/zinc/36/08/74/1130360874.db2.gz	LVONWUJQKHTZCW-GFCCVEGCSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC001475811962	1130728061	/nfs/dbraw/zinc/72/80/61/1130728061.db2.gz	RVYXOYKSDQJVBP-SNVBAGLBSA-N	-1	1	332.378	-0.096	20	30		EBEDMM
C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356790393	1130941728	/nfs/dbraw/zinc/94/17/28/1130941728.db2.gz	VRHSLIPYIPHORY-KRWDZBQOSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
COCC(C)(C)N1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362799575	1131678713	/nfs/dbraw/zinc/67/87/13/1131678713.db2.gz	MOKUFOIBNCELLO-UHFFFAOYSA-N	-1	1	349.391	-0.610	20	30		EBEDMM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000427489273	376829231	/nfs/dbraw/zinc/82/92/31/376829231.db2.gz	ABVAMOGTPAPWJY-SECBINFHSA-N	-1	1	342.377	-0.289	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(=O)n(C)c1=O	ZINC000176645840	377361020	/nfs/dbraw/zinc/36/10/20/377361020.db2.gz	SYNODYMXBDODPA-UHFFFAOYSA-N	-1	1	326.378	-0.411	20	30		EBEDMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1	ZINC000030360097	379238193	/nfs/dbraw/zinc/23/81/93/379238193.db2.gz	RFOHKXFHUDMAGD-SNVBAGLBSA-N	-1	1	348.384	-0.005	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140642	379950562	/nfs/dbraw/zinc/95/05/62/379950562.db2.gz	IANFBAHEGMHNCB-NSHDSACASA-N	-1	1	332.426	-0.197	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(=O)n(C)c1=O	ZINC000042007782	379997423	/nfs/dbraw/zinc/99/74/23/379997423.db2.gz	SLICCPWOLFABBD-UHFFFAOYSA-N	-1	1	334.357	-0.566	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC	ZINC000360618355	380265822	/nfs/dbraw/zinc/26/58/22/380265822.db2.gz	ISKSGFGCVLOOIN-TUAOUCFPSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000294727753	380509627	/nfs/dbraw/zinc/50/96/27/380509627.db2.gz	WCFRPGSPNYHQAF-VIFPVBQESA-N	-1	1	328.398	-0.244	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccncc2[O-])cc1	ZINC000354237688	381563489	/nfs/dbraw/zinc/56/34/89/381563489.db2.gz	JQNSBZBMPIGYLE-UHFFFAOYSA-N	-1	1	332.341	-0.002	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCC)c2nn[n-]n2)C1=O	ZINC000268254222	381714224	/nfs/dbraw/zinc/71/42/24/381714224.db2.gz	XOUYKDTXIBPAIZ-MRVPVSSYSA-N	-1	1	335.324	-0.866	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)o1	ZINC000344523231	156237237	/nfs/dbraw/zinc/23/72/37/156237237.db2.gz	WRFZDKVVJZFROW-AMIZOPFISA-N	-1	1	338.345	-0.192	20	30		EBEDMM
Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])nn1CCC#N	ZINC000350617072	421254795	/nfs/dbraw/zinc/25/47/95/421254795.db2.gz	ZQYWOHSRPVRAKA-UHFFFAOYSA-N	-1	1	328.332	0.574	20	30		EBEDMM
CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(C#N)c([O-])c1	ZINC000430483835	266926171	/nfs/dbraw/zinc/92/61/71/266926171.db2.gz	ZUCPHWCWPNSDSH-UHFFFAOYSA-N	-1	1	326.378	-0.174	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1	ZINC000900562182	582771939	/nfs/dbraw/zinc/77/19/39/582771939.db2.gz	QKTAMQXFADAWFJ-UHFFFAOYSA-N	-1	1	343.387	-0.433	20	30		EBEDMM
O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NCc1nn[n-]n1	ZINC000732158270	582845495	/nfs/dbraw/zinc/84/54/95/582845495.db2.gz	WVCDFAMTHNLQIA-UHFFFAOYSA-N	-1	1	349.376	-0.665	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cnc(C#N)cn1	ZINC000736798147	582957442	/nfs/dbraw/zinc/95/74/42/582957442.db2.gz	QZIOOVWGWMCHNI-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000782987775	583476164	/nfs/dbraw/zinc/47/61/64/583476164.db2.gz	QTGVUGPYMPAVIT-UHFFFAOYSA-N	-1	1	335.363	-0.131	20	30		EBEDMM
C=CCCC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786198918	583506928	/nfs/dbraw/zinc/50/69/28/583506928.db2.gz	XCGBIPJYUJZNFC-UHFFFAOYSA-N	-1	1	344.345	-0.265	20	30		EBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N(C)C1CCOCC1)C(=O)OC	ZINC000795403171	583589227	/nfs/dbraw/zinc/58/92/27/583589227.db2.gz	VHGCBHNWNCXNAW-GFCCVEGCSA-N	-1	1	336.410	-0.324	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819845851	583762162	/nfs/dbraw/zinc/76/21/62/583762162.db2.gz	XMOYLTRJFWTICM-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819845851	583762164	/nfs/dbraw/zinc/76/21/64/583762164.db2.gz	XMOYLTRJFWTICM-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
COC(=O)C1=C(C(C)=O)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1	ZINC000821653637	583798899	/nfs/dbraw/zinc/79/88/99/583798899.db2.gz	GNOGIIWIEIYUHW-VIFPVBQESA-N	-1	1	348.344	-0.005	20	30		EBEDMM
COC(=O)C1=C(C(C)=O)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1	ZINC000821653637	583798901	/nfs/dbraw/zinc/79/89/01/583798901.db2.gz	GNOGIIWIEIYUHW-VIFPVBQESA-N	-1	1	348.344	-0.005	20	30		EBEDMM
COc1ccc(C#N)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821769168	583804127	/nfs/dbraw/zinc/80/41/27/583804127.db2.gz	FFKZDAISBQVNDJ-UHFFFAOYSA-N	-1	1	325.292	-0.023	20	30		EBEDMM
N#C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1	ZINC000822801788	583817724	/nfs/dbraw/zinc/81/77/24/583817724.db2.gz	OOZUJTNDTULONP-JTQLQIEISA-N	-1	1	327.283	-0.022	20	30		EBEDMM
N#CCOc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000822815585	583818555	/nfs/dbraw/zinc/81/85/55/583818555.db2.gz	UDVYLQMPWQRWEM-UHFFFAOYSA-N	-1	1	325.292	-0.001	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000823849798	583837724	/nfs/dbraw/zinc/83/77/24/583837724.db2.gz	AFRYQMSCHOPAPQ-GFCCVEGCSA-N	-1	1	340.391	-0.478	20	30		EBEDMM
COc1ccc(C#N)cc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000826187045	583887285	/nfs/dbraw/zinc/88/72/85/583887285.db2.gz	WZZBVFGNQISRMV-UHFFFAOYSA-N	-1	1	339.315	-0.344	20	30		EBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@](C)(C#N)C2)n(C)c1=O	ZINC000826355527	583893340	/nfs/dbraw/zinc/89/33/40/583893340.db2.gz	DISHDGBJPLBEOG-CQSZACIVSA-N	-1	1	330.352	-0.606	20	30		EBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(CC#N)CC2)n(C)c1=O	ZINC000826355817	583893394	/nfs/dbraw/zinc/89/33/94/583893394.db2.gz	OEUKPXNANRJXNE-UHFFFAOYSA-N	-1	1	330.352	-0.606	20	30		EBEDMM
C#CC[C@@H](CCOC)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000862193461	584349375	/nfs/dbraw/zinc/34/93/75/584349375.db2.gz	OPUCSODXTPFLCQ-NSHDSACASA-N	-1	1	329.360	-0.175	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000939398466	652925361	/nfs/dbraw/zinc/92/53/61/652925361.db2.gz	XJZBURYATTVSGN-RKDXNWHRSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1	ZINC000951223059	654424598	/nfs/dbraw/zinc/42/45/98/654424598.db2.gz	XSBXPPSDGKJXMN-JTQLQIEISA-N	-1	1	346.343	-0.360	20	30		EBEDMM
C#Cc1ccc(C(=O)N(CC)C2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC000957294778	722190192	/nfs/dbraw/zinc/19/01/92/722190192.db2.gz	PXXAMEXPYRXFMK-UHFFFAOYSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nc1	ZINC000957379090	722203575	/nfs/dbraw/zinc/20/35/75/722203575.db2.gz	ZXEMSMDVAFYYMC-UHFFFAOYSA-N	-1	1	326.360	-0.557	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC000958367981	722353334	/nfs/dbraw/zinc/35/33/34/722353334.db2.gz	HQSNISDYFPTMBL-IWSPIJDZSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O	ZINC000958830410	722604198	/nfs/dbraw/zinc/60/41/98/722604198.db2.gz	SVEJWGDAMAZKNP-JSGCOSHPSA-N	-1	1	329.356	-0.156	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC000970399976	725286559	/nfs/dbraw/zinc/28/65/59/725286559.db2.gz	WCNTZBHKNWNBSF-NSHDSACASA-N	-1	1	340.387	-0.265	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC000970762437	725325603	/nfs/dbraw/zinc/32/56/03/725325603.db2.gz	DXQHBFCFQQUTQV-LLVKDONJSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC000972285793	725491064	/nfs/dbraw/zinc/49/10/64/725491064.db2.gz	WARCLNXXTRJZCW-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000972298833	725493748	/nfs/dbraw/zinc/49/37/48/725493748.db2.gz	VTGVPATYFAZAHT-NHYWBVRUSA-N	-1	1	334.380	-0.929	20	30		EBEDMM
C=CCN1CCO[C@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC000972594668	725556583	/nfs/dbraw/zinc/55/65/83/725556583.db2.gz	CISIPMLQKAJPSM-QGZVFWFLSA-N	-1	1	348.403	-0.584	20	30		EBEDMM
N#Cc1nccc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001051681608	735319661	/nfs/dbraw/zinc/31/96/61/735319661.db2.gz	GHVJKZGZILFKJP-JQWIXIFHSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=C(C)CN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1	ZINC001052046802	735519570	/nfs/dbraw/zinc/51/95/70/735519570.db2.gz	DGECOKRVRYUXTG-GFCCVEGCSA-N	-1	1	348.407	-0.309	20	30		EBEDMM
N#Cc1ccccc1CN1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031250237	730693779	/nfs/dbraw/zinc/69/37/79/730693779.db2.gz	ZJJZHTXQWVLCPG-UHFFFAOYSA-N	-1	1	349.354	-0.097	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001033406456	731019256	/nfs/dbraw/zinc/01/92/56/731019256.db2.gz	WMISRGGRTMKFPQ-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
CC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@@H]1NCC#N	ZINC001037945190	731274083	/nfs/dbraw/zinc/27/40/83/731274083.db2.gz	JACHZBKQSAMTHB-OLZOCXBDSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061422758	738534544	/nfs/dbraw/zinc/53/45/44/738534544.db2.gz	BHNNZVXXGBLQTE-GFCCVEGCSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043571368	733007797	/nfs/dbraw/zinc/00/77/97/733007797.db2.gz	NVWMVOXAAQGGIA-NSHDSACASA-N	-1	1	335.360	-0.319	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001046253431	733895995	/nfs/dbraw/zinc/89/59/95/733895995.db2.gz	YNDGNGNJASABPQ-OAHLLOKOSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001046781080	734026604	/nfs/dbraw/zinc/02/66/04/734026604.db2.gz	FUDNHAJVLYMAGT-KRWDZBQOSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048722820	734483380	/nfs/dbraw/zinc/48/33/80/734483380.db2.gz	VNYNVYCFURJDAH-AAEUAGOBSA-N	-1	1	335.360	-0.367	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)c1	ZINC001048749779	734493490	/nfs/dbraw/zinc/49/34/90/734493490.db2.gz	OQTXGWOBDOXNFR-PHIMTYICSA-N	-1	1	327.348	-0.086	20	30		EBEDMM
CC#CCN1CC2(C1)CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCO2	ZINC001053507199	735908598	/nfs/dbraw/zinc/90/85/98/735908598.db2.gz	HIXPLNQRWRQOJF-UHFFFAOYSA-N	-1	1	348.359	-0.554	20	30		EBEDMM
CC#CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982373	736133162	/nfs/dbraw/zinc/13/31/62/736133162.db2.gz	IFFZZRHGAASDJU-SNVBAGLBSA-N	-1	1	348.359	-0.507	20	30		EBEDMM
Cc1n[nH]c(C(=O)NCCN2CCC(NC(=O)[C@H](C)C#N)CC2)c1[O-]	ZINC001055561620	736382262	/nfs/dbraw/zinc/38/22/62/736382262.db2.gz	JBFMXJMFMXNQLW-SNVBAGLBSA-N	-1	1	348.407	-0.106	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071185562	741080359	/nfs/dbraw/zinc/08/03/59/741080359.db2.gz	IFQXNUTWMVESHL-ZUZCIYMTSA-N	-1	1	333.348	-0.779	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071185560	741080459	/nfs/dbraw/zinc/08/04/59/741080459.db2.gz	IFQXNUTWMVESHL-BONVTDFDSA-N	-1	1	333.348	-0.779	20	30		EBEDMM
C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C[C@@H](C)O2	ZINC001071234029	741096769	/nfs/dbraw/zinc/09/67/69/741096769.db2.gz	RPTMJWJCRMOFRR-IAQYHMDHSA-N	-1	1	335.364	-0.986	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3nc[n-]c3n2)C[C@H]1C	ZINC001072426841	741395227	/nfs/dbraw/zinc/39/52/27/741395227.db2.gz	NJLDKISJHUHDAS-ZYHUDNBSSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCN1CCO[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001074356649	741911407	/nfs/dbraw/zinc/91/14/07/741911407.db2.gz	NAYGSVLVQVUVMV-ZIAGYGMSSA-N	-1	1	348.403	-0.586	20	30		EBEDMM
C=CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC001074383082	741922050	/nfs/dbraw/zinc/92/20/50/741922050.db2.gz	VDWKBDUFPINRGZ-STQMWFEESA-N	-1	1	344.375	-0.481	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H](C)NC(=O)C#CC1CC1	ZINC001077488513	743014371	/nfs/dbraw/zinc/01/43/71/743014371.db2.gz	UPSGHNVIELCGNJ-VIFPVBQESA-N	-1	1	348.359	-0.066	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2CCCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001078373692	743612304	/nfs/dbraw/zinc/61/23/04/743612304.db2.gz	HAWWOZJYEXZJBX-LLVKDONJSA-N	-1	1	345.363	-0.269	20	30		EBEDMM
C#CCN1CCCC2(CN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)C2)C1	ZINC000982074052	806392353	/nfs/dbraw/zinc/39/23/53/806392353.db2.gz	QIEOFKUSBREPSF-UHFFFAOYSA-N	-1	1	340.387	-0.371	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000983217442	806953832	/nfs/dbraw/zinc/95/38/32/806953832.db2.gz	TYXMUWJNIYBNJW-VHSXEESVSA-N	-1	1	343.347	-0.844	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000983217445	806954098	/nfs/dbraw/zinc/95/40/98/806954098.db2.gz	TYXMUWJNIYBNJW-ZJUUUORDSA-N	-1	1	343.347	-0.844	20	30		EBEDMM
Cn1[n-]c(CN2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O	ZINC001002626415	809753702	/nfs/dbraw/zinc/75/37/02/809753702.db2.gz	LZKZZWUULXZRDN-UHFFFAOYSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#CCNC(=O)CN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC001217675603	810451963	/nfs/dbraw/zinc/45/19/63/810451963.db2.gz	XBWFQLBJLODJLY-GXTWGEPZSA-N	-1	1	344.371	-0.938	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001015678734	810558295	/nfs/dbraw/zinc/55/82/95/810558295.db2.gz	MDMXHGKIUDCFOE-CYBMUJFWSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
N#Cc1cccc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1	ZINC001016111018	810667864	/nfs/dbraw/zinc/66/78/64/810667864.db2.gz	OERQEVRRWQYOOR-ZDUSSCGKSA-N	-1	1	342.359	-0.048	20	30		EBEDMM
N#CCN1CC2(C1)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2	ZINC001035819986	811031787	/nfs/dbraw/zinc/03/17/87/811031787.db2.gz	OMXQHOMGMMAVMW-UHFFFAOYSA-N	-1	1	331.376	-0.625	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2[C@H](CCN2CC#N)C1	ZINC001036870383	811297221	/nfs/dbraw/zinc/29/72/21/811297221.db2.gz	UDONGLCTDGJPLE-NXEZZACHSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
C#CC[C@@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473452	811924231	/nfs/dbraw/zinc/92/42/31/811924231.db2.gz	KSCAVAGNKVLNCN-ZCFIWIBFSA-N	-1	1	347.287	-0.493	20	30		EBEDMM
C#C[C@@H](OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O)C(C)C	ZINC001227475634	811924432	/nfs/dbraw/zinc/92/44/32/811924432.db2.gz	JYEMPVHWHCWMKN-ZCFIWIBFSA-N	-1	1	347.287	-0.637	20	30		EBEDMM
C#CC[C@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473451	811925078	/nfs/dbraw/zinc/92/50/78/811925078.db2.gz	KSCAVAGNKVLNCN-LURJTMIESA-N	-1	1	347.287	-0.493	20	30		EBEDMM
CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001080413317	812020278	/nfs/dbraw/zinc/02/02/78/812020278.db2.gz	WBFDRPGRFJSLBL-LLVKDONJSA-N	-1	1	347.375	-0.854	20	30		EBEDMM
C=C[C@@H]1C[C@]1(NC[C@H](O)COCC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001252048162	812643518	/nfs/dbraw/zinc/64/35/18/812643518.db2.gz	RAYVWNNFMBFUGG-UHIISALHSA-N	-1	1	332.422	-0.474	20	30		EBEDMM
C=C[C@@H]1C[C@]1(NS(=O)(=O)C(F)F)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001259961478	812818853	/nfs/dbraw/zinc/81/88/53/812818853.db2.gz	KDBGGEDLLLEEKW-LHLIQPBNSA-N	-1	1	344.361	-0.319	20	30		EBEDMM
C=C(C)CN1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1	ZINC001083129309	814150419	/nfs/dbraw/zinc/15/04/19/814150419.db2.gz	DPZYZLVPOBHSCG-QWHCGFSZSA-N	-1	1	349.391	-0.297	20	30		EBEDMM
C=C(C)CN1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1	ZINC001083160532	814171915	/nfs/dbraw/zinc/17/19/15/814171915.db2.gz	GJKAJMJEIAYPCF-QWHCGFSZSA-N	-1	1	334.376	-0.413	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nc1=O	ZINC001084261412	815877508	/nfs/dbraw/zinc/87/75/08/815877508.db2.gz	IWPNACFVYRRLPI-DGCLKSJQSA-N	-1	1	341.375	-0.345	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001085930405	816181101	/nfs/dbraw/zinc/18/11/01/816181101.db2.gz	WWKQKXRASZYKKJ-ZDUSSCGKSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)cn1	ZINC001088990797	816775770	/nfs/dbraw/zinc/77/57/70/816775770.db2.gz	QELVTHNUBYATGG-RISCZKNCSA-N	-1	1	340.387	-0.123	20	30		EBEDMM
C#CCN1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC2(CCOCC2)C1	ZINC001089947022	816949511	/nfs/dbraw/zinc/94/95/11/816949511.db2.gz	USHUBODDHNELTI-LLVKDONJSA-N	-1	1	347.375	-0.483	20	30		EBEDMM
C#CCN(C(=O)c1cnon1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001278188243	817721734	/nfs/dbraw/zinc/72/17/34/817721734.db2.gz	JIDUOIRARLZRJR-UHFFFAOYSA-N	-1	1	345.363	-0.769	20	30		EBEDMM
C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001278809858	817843515	/nfs/dbraw/zinc/84/35/15/817843515.db2.gz	HUCVTWPEJCRFLP-INIZCTEOSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1cc(C)ncc1C#N	ZINC001093760803	818096318	/nfs/dbraw/zinc/09/63/18/818096318.db2.gz	GZEXOQVMQADTTP-UHFFFAOYSA-N	-1	1	344.331	-0.265	20	30		EBEDMM
N#Cc1nccc(NCCNC(=O)c2cnc(C3CC3)[n-]c2=O)n1	ZINC001094157058	818162777	/nfs/dbraw/zinc/16/27/77/818162777.db2.gz	IGMMEXYTCXHPJE-UHFFFAOYSA-N	-1	1	325.332	-0.015	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001281659104	818250854	/nfs/dbraw/zinc/25/08/54/818250854.db2.gz	MYATZFINSVLVFM-NSODJVPESA-N	-1	1	335.360	-0.584	20	30		EBEDMM
N#Cc1nccnc1NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001094502285	818278235	/nfs/dbraw/zinc/27/82/35/818278235.db2.gz	KBJIFEDSPWWEJV-UHFFFAOYSA-N	-1	1	339.319	-0.689	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1cncc(C#N)n1	ZINC001094501831	818278816	/nfs/dbraw/zinc/27/88/16/818278816.db2.gz	CJQUFLYYNIGQFV-UHFFFAOYSA-N	-1	1	345.319	-0.210	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1nccnc1C#N	ZINC001097949943	819062019	/nfs/dbraw/zinc/06/20/19/819062019.db2.gz	FWAHKBZQQIUDHD-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C#CCOCCC(=O)N[C@@]12CCC[C@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001284051855	819080193	/nfs/dbraw/zinc/08/01/93/819080193.db2.gz	RPKJBOCXLUVVEQ-CXAGYDPISA-N	-1	1	347.419	-0.239	20	30		EBEDMM
C#CCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099786981	819698226	/nfs/dbraw/zinc/69/82/26/819698226.db2.gz	SMYZNGHBIWCRTD-STQMWFEESA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285829849	819780800	/nfs/dbraw/zinc/78/08/00/819780800.db2.gz	LDIIXGAQAPGYJY-QWRGUYRKSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNC(=O)C#CC(C)C	ZINC001295481255	821101106	/nfs/dbraw/zinc/10/11/06/821101106.db2.gz	WEQCUMIXWZXKHN-VIFPVBQESA-N	-1	1	336.348	-0.210	20	30		EBEDMM
CC(C)C#CC(=O)N(C)CCOCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001316762708	821850647	/nfs/dbraw/zinc/85/06/47/821850647.db2.gz	DIRVOUPFXWNQKP-UHFFFAOYSA-N	-1	1	337.424	-0.325	20	30		EBEDMM
C=C(C)CN1CCO[C@@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108340942	824227102	/nfs/dbraw/zinc/22/71/02/824227102.db2.gz	NRRSQCDPFPNDDE-INIZCTEOSA-N	-1	1	346.391	-0.186	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@]1(C)CN(CC#N)CCO1	ZINC001108341168	824229513	/nfs/dbraw/zinc/22/95/13/824229513.db2.gz	UCWIWVLWKPBHBM-AWEZNQCLSA-N	-1	1	337.336	-0.759	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461560	824295702	/nfs/dbraw/zinc/29/57/02/824295702.db2.gz	XVYWELDURHXOEK-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001111066511	824894854	/nfs/dbraw/zinc/89/48/54/824894854.db2.gz	UGEWAPGNYRHONV-MRXNPFEDSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001112782358	825636417	/nfs/dbraw/zinc/63/64/17/825636417.db2.gz	PBXZQHKQSIEIPC-UHFFFAOYSA-N	-1	1	347.375	-0.443	20	30		EBEDMM
C=CCOCCN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001113534746	825911239	/nfs/dbraw/zinc/91/12/39/825911239.db2.gz	QVWLTKATTKUIBV-UHFFFAOYSA-N	-1	1	332.364	-0.622	20	30		EBEDMM
C=C[C@](C)(CCOC)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114627068	826301475	/nfs/dbraw/zinc/30/14/75/826301475.db2.gz	QAAHUJQTMCWABZ-CXUUEIJPSA-N	-1	1	349.435	-0.116	20	30		EBEDMM
CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncccc1[O-]	ZINC001124329750	827816077	/nfs/dbraw/zinc/81/60/77/827816077.db2.gz	QXSVMNHEBFGIPW-NSHDSACASA-N	-1	1	328.332	-0.006	20	30		EBEDMM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc2n(n1)CCNC2=O	ZINC001147551240	830360074	/nfs/dbraw/zinc/36/00/74/830360074.db2.gz	QOCAWZZLHMISPG-UHFFFAOYSA-N	-1	1	329.276	-0.439	20	30		EBEDMM
C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149573941	830700043	/nfs/dbraw/zinc/70/00/43/830700043.db2.gz	SMZOOLOGRPAPGR-ZDUSSCGKSA-N	-1	1	348.403	-0.090	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149673510	830726835	/nfs/dbraw/zinc/72/68/35/830726835.db2.gz	NJHVIHIWJNLWFI-ZDUSSCGKSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
CN1C(=O)C[C@H](C(=O)N([O-])C(=N)c2nonc2N)[C@H]1c1cccnc1	ZINC001177641267	832797525	/nfs/dbraw/zinc/79/75/25/832797525.db2.gz	ZDVLATSISYRYDB-GZMMTYOYSA-N	-1	1	345.319	-0.190	20	30		EBEDMM
C#CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC001178208280	832837687	/nfs/dbraw/zinc/83/76/87/832837687.db2.gz	PQHSJEOWICPYTP-UHFFFAOYSA-N	-1	1	337.401	-0.133	20	30		EBEDMM
COCC#CCN(C)[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001192712489	834721871	/nfs/dbraw/zinc/72/18/71/834721871.db2.gz	JRAHKJWZLUNCBS-ZDUSSCGKSA-N	-1	1	343.387	-0.181	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001193231492	834821454	/nfs/dbraw/zinc/82/14/54/834821454.db2.gz	GCMTWIJVATYNMQ-CHWSQXEVSA-N	-1	1	335.408	-0.462	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202200884	836273586	/nfs/dbraw/zinc/27/35/86/836273586.db2.gz	SSJSVJKTXQBOML-NEPJUHHUSA-N	-1	1	339.396	-0.192	20	30		EBEDMM
C=C(C)CN1CC2(C1)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)CO2	ZINC001327412864	840410848	/nfs/dbraw/zinc/41/08/48/840410848.db2.gz	NYTIYSZHESSYAZ-CYBMUJFWSA-N	-1	1	348.403	-0.538	20	30		EBEDMM
CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001331110115	841337159	/nfs/dbraw/zinc/33/71/59/841337159.db2.gz	LZEGZMKCFZRSGV-UHFFFAOYSA-N	-1	1	347.379	-0.813	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573285176	946771542	/nfs/dbraw/zinc/77/15/42/946771542.db2.gz	DVWIMGDHIKEPNA-QWRGUYRKSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573285176	946771551	/nfs/dbraw/zinc/77/15/51/946771551.db2.gz	DVWIMGDHIKEPNA-QWRGUYRKSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573286646	946816019	/nfs/dbraw/zinc/81/60/19/946816019.db2.gz	GXKBVSKLBIXQQP-SNVBAGLBSA-N	-1	1	344.379	-0.215	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573286646	946816027	/nfs/dbraw/zinc/81/60/27/946816027.db2.gz	GXKBVSKLBIXQQP-SNVBAGLBSA-N	-1	1	344.379	-0.215	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1	ZINC001573560379	946952024	/nfs/dbraw/zinc/95/20/24/946952024.db2.gz	BJCWKZCGLQCCIW-ZJUUUORDSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573560725	946955333	/nfs/dbraw/zinc/95/53/33/946955333.db2.gz	FOJNYUBWLAAPQT-VHSXEESVSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561520	946964701	/nfs/dbraw/zinc/96/47/01/946964701.db2.gz	LQSOURGUWNUTHN-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561520	946964706	/nfs/dbraw/zinc/96/47/06/946964706.db2.gz	LQSOURGUWNUTHN-RKDXNWHRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573562608	946977629	/nfs/dbraw/zinc/97/76/29/946977629.db2.gz	VCHCYNJZAZTGOQ-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573562608	946977642	/nfs/dbraw/zinc/97/76/42/946977642.db2.gz	VCHCYNJZAZTGOQ-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573563051	946984065	/nfs/dbraw/zinc/98/40/65/946984065.db2.gz	ZMZUWBKTJHXDCV-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573563051	946984072	/nfs/dbraw/zinc/98/40/72/946984072.db2.gz	ZMZUWBKTJHXDCV-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1	ZINC001573570704	947091104	/nfs/dbraw/zinc/09/11/04/947091104.db2.gz	SBGDSJLUPZLBHG-MXWKQRLJSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573573450	947120983	/nfs/dbraw/zinc/12/09/83/947120983.db2.gz	NIEUJICAXZJLGJ-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573584068	947210725	/nfs/dbraw/zinc/21/07/25/947210725.db2.gz	QFAZTRQAUVJWNS-NXEZZACHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573584068	947210735	/nfs/dbraw/zinc/21/07/35/947210735.db2.gz	QFAZTRQAUVJWNS-NXEZZACHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573584099	947210751	/nfs/dbraw/zinc/21/07/51/947210751.db2.gz	QKOCRJDPNYDRTM-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573585221	947248337	/nfs/dbraw/zinc/24/83/37/947248337.db2.gz	DCQOBAODZVOGCR-SSDOTTSWSA-N	-1	1	330.308	-0.968	20	30		EBEDMM
C[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CS1(=O)=O	ZINC001570936070	949007470	/nfs/dbraw/zinc/00/74/70/949007470.db2.gz	XVSMEVZAWAWHHD-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CS1(=O)=O	ZINC001570936070	949007478	/nfs/dbraw/zinc/00/74/78/949007478.db2.gz	XVSMEVZAWAWHHD-SFYZADRCSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N(C)CCC(=O)[O-])c1cc[nH]n1	ZINC001590648614	950972412	/nfs/dbraw/zinc/97/24/12/950972412.db2.gz	XFWPBWWTVNJEOE-UHFFFAOYSA-N	-1	1	326.309	-0.373	20	30		EBEDMM
C#CCNS(=O)(=O)N1CCN(CCC2(C(=O)[O-])CCC2)CC1	ZINC001588430421	958256143	/nfs/dbraw/zinc/25/61/43/958256143.db2.gz	BVVQFXBMICOYPU-UHFFFAOYSA-N	-1	1	329.422	-0.283	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@](O)(C(=O)[O-])C2)CC1	ZINC001590949338	991006206	/nfs/dbraw/zinc/00/62/06/991006206.db2.gz	PEDNJSRPJMPOJF-CJNGLKHVSA-N	-1	1	338.408	-0.800	20	30		EBEDMM
N#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001670697581	1125813394	/nfs/dbraw/zinc/81/33/94/1125813394.db2.gz	ZXPFPFRERISICA-LLVKDONJSA-N	-1	1	344.375	-0.497	20	30		EBEDMM
C=CCNC(=O)CN1CCC(CO)(NC(=O)c2ncccc2[O-])CC1	ZINC001485017362	1126665380	/nfs/dbraw/zinc/66/53/80/1126665380.db2.gz	UEOGSQWLABCDLI-UHFFFAOYSA-N	-1	1	348.403	-0.354	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001671015339	1126883391	/nfs/dbraw/zinc/88/33/91/1126883391.db2.gz	OTWQQHSMDYQRJT-MELADBBJSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
CC#CCCCC(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001486028178	1126999023	/nfs/dbraw/zinc/99/90/23/1126999023.db2.gz	RNSIPFGZFLRBNE-CQSZACIVSA-N	-1	1	345.403	-0.217	20	30		EBEDMM
C=CCOCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486666386	1127230621	/nfs/dbraw/zinc/23/06/21/1127230621.db2.gz	FSWDQULSMQKVPA-UWVGGRQHSA-N	-1	1	348.363	-0.757	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001411165512	1128062948	/nfs/dbraw/zinc/06/29/48/1128062948.db2.gz	LODDVUDPNHSQBY-AAEUAGOBSA-N	-1	1	346.391	-0.567	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCCC[C@H](C)NC(=O)c1ncccc1[O-]	ZINC001487492214	1128143438	/nfs/dbraw/zinc/14/34/38/1128143438.db2.gz	KOWVQCBSYIGUAQ-LBPRGKRZSA-N	-1	1	346.387	-0.059	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ncccc2[O-])cn1	ZINC001487975343	1128471282	/nfs/dbraw/zinc/47/12/82/1128471282.db2.gz	DBPMFZAWHWPRQZ-ZDUSSCGKSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
CC[C@@H](CNC(=O)C#CC(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001356882858	1130980687	/nfs/dbraw/zinc/98/06/87/1130980687.db2.gz	AVPHYSAOVGXIEH-ZDUSSCGKSA-N	-1	1	348.403	-0.403	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001358279348	1131177390	/nfs/dbraw/zinc/17/73/90/1131177390.db2.gz	XXXAMWHXWMBTIX-SECBINFHSA-N	-1	1	336.348	-0.066	20	30		EBEDMM
C#CCN1CCN(c2nnc(-c3c[n-][nH]c3=O)n2CCOC)CC1	ZINC001358330289	1131179699	/nfs/dbraw/zinc/17/96/99/1131179699.db2.gz	GSDJKTZEGAWMPK-UHFFFAOYSA-N	-1	1	331.380	-0.225	20	30		EBEDMM
CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361870285	1131470188	/nfs/dbraw/zinc/47/01/88/1131470188.db2.gz	RFXWUBIMYJLPCX-ZDUSSCGKSA-N	-1	1	349.391	-0.706	20	30		EBEDMM
N#Cc1cn(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)c(=O)[n-]c1=O	ZINC001363006774	1131743028	/nfs/dbraw/zinc/74/30/28/1131743028.db2.gz	ZVIQSEZVOOIADK-SNVBAGLBSA-N	-1	1	328.332	-0.220	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2C(=O)NCC23CCOCC3)o1	ZINC001364049971	1132183862	/nfs/dbraw/zinc/18/38/62/1132183862.db2.gz	PIGMGGLHFPXZMS-NSHDSACASA-N	-1	1	325.346	-0.275	20	30		EBEDMM
CC(C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nn[n-]n1	ZINC000578239163	375961108	/nfs/dbraw/zinc/96/11/08/375961108.db2.gz	VEOCNAAWJFSIQP-UHFFFAOYSA-N	-1	1	349.376	-0.599	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CCc2ccc(C#N)cc2)c(=O)n(C)c1=O	ZINC000594795273	377954479	/nfs/dbraw/zinc/95/44/79/377954479.db2.gz	JUZZVGDQBDBMLM-UHFFFAOYSA-N	-1	1	348.384	-0.523	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(=O)n(C)c1=O	ZINC000594869320	377969143	/nfs/dbraw/zinc/96/91/43/377969143.db2.gz	HHQRVZZTLCTPBZ-UHFFFAOYSA-N	-1	1	340.405	-0.164	20	30		EBEDMM
CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000600726612	379226703	/nfs/dbraw/zinc/22/67/03/379226703.db2.gz	IGUDMGWJGZVGPE-LBPRGKRZSA-N	-1	1	339.373	-0.346	20	30		EBEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(F)c1	ZINC000275091077	379462202	/nfs/dbraw/zinc/46/22/02/379462202.db2.gz	PAOOUBFTWJGMDB-SECBINFHSA-N	-1	1	347.299	-0.167	20	30		EBEDMM
C#C[C@@H](CCC)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000491658235	379610549	/nfs/dbraw/zinc/61/05/49/379610549.db2.gz	VTEVZBREIOFAMW-VIFPVBQESA-N	-1	1	327.362	-0.425	20	30		EBEDMM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000567593124	380528625	/nfs/dbraw/zinc/52/86/25/380528625.db2.gz	RIPOKGQQLAAHLB-GXSJLCMTSA-N	-1	1	329.382	-0.279	20	30		EBEDMM
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000577192643	380810156	/nfs/dbraw/zinc/81/01/56/380810156.db2.gz	PLWUXQLLZVCPDT-UHFFFAOYSA-N	-1	1	334.423	-0.174	20	30		EBEDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncncc1C#N	ZINC000576033392	381522092	/nfs/dbraw/zinc/52/20/92/381522092.db2.gz	ZLNUUWCNHVMIAF-UHFFFAOYSA-N	-1	1	340.390	-0.369	20	30		EBEDMM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)o1)CN1CCOCC1	ZINC000344516150	156234325	/nfs/dbraw/zinc/23/43/25/156234325.db2.gz	OPPSOTRBHJWRTR-CYBMUJFWSA-N	-1	1	329.378	-0.487	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)o1	ZINC000344523234	156237466	/nfs/dbraw/zinc/23/74/66/156237466.db2.gz	WRFZDKVVJZFROW-SDBXPKJASA-N	-1	1	338.345	-0.192	20	30		EBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OCC)[nH]n2)C1=O	ZINC000539782364	415377840	/nfs/dbraw/zinc/37/78/40/415377840.db2.gz	NJZSLXIHCRDHAB-UHFFFAOYSA-N	-1	1	349.303	-0.498	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1[O-]	ZINC000442653493	265326141	/nfs/dbraw/zinc/32/61/41/265326141.db2.gz	SPEILMVFBGZQMD-SNVBAGLBSA-N	-1	1	338.389	-0.091	20	30		EBEDMM
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)c([O-])c1	ZINC000442801718	265328606	/nfs/dbraw/zinc/32/86/06/265328606.db2.gz	QBANUQUHYALYOU-NSHDSACASA-N	-1	1	338.341	-0.324	20	30		EBEDMM
C#Cc1cccc(NC(=O)CNC(=O)CCn2cc[n-]c(=O)c2=O)c1	ZINC000726872381	582623620	/nfs/dbraw/zinc/62/36/20/582623620.db2.gz	GJICYDCDGFPSKY-UHFFFAOYSA-N	-1	1	340.339	-0.337	20	30		EBEDMM
C=CCNC(=O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC	ZINC000776885515	583409704	/nfs/dbraw/zinc/40/97/04/583409704.db2.gz	YCJLUFIMJMNQNT-UHFFFAOYSA-N	-1	1	330.366	-0.525	20	30		EBEDMM
C#C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1CCCO1	ZINC000806986639	583656437	/nfs/dbraw/zinc/65/64/37/583656437.db2.gz	IXSBMEPMEQWXBD-WCQYABFASA-N	-1	1	327.344	-0.423	20	30		EBEDMM
C#CCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000823851050	583838121	/nfs/dbraw/zinc/83/81/21/583838121.db2.gz	YADPWMDSIPLVAY-LBPRGKRZSA-N	-1	1	332.389	-0.116	20	30		EBEDMM
C#CCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000823851050	583838123	/nfs/dbraw/zinc/83/81/23/583838123.db2.gz	YADPWMDSIPLVAY-LBPRGKRZSA-N	-1	1	332.389	-0.116	20	30		EBEDMM
N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826380599	583895638	/nfs/dbraw/zinc/89/56/38/583895638.db2.gz	HAFNVONEPFJLFF-QMMMGPOBSA-N	-1	1	337.390	-0.109	20	30		EBEDMM
N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826380599	583895640	/nfs/dbraw/zinc/89/56/40/583895640.db2.gz	HAFNVONEPFJLFF-QMMMGPOBSA-N	-1	1	337.390	-0.109	20	30		EBEDMM
Cc1cc(C)nc(-n2[n-]c(C(=O)NCC#CCN(C)C)cc2=O)n1	ZINC000913519304	650235484	/nfs/dbraw/zinc/23/54/84/650235484.db2.gz	VKNXTVAYEGAGHQ-UHFFFAOYSA-N	-1	1	328.376	-0.133	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000941663906	652866121	/nfs/dbraw/zinc/86/61/21/652866121.db2.gz	JYEIBDFRLIPNFU-SNVBAGLBSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)cc1	ZINC000961440806	723018936	/nfs/dbraw/zinc/01/89/36/723018936.db2.gz	KUUKUTMEADIRCQ-FOLVSLTJSA-N	-1	1	337.383	-0.050	20	30		EBEDMM
CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CN(C(=O)[C@H](C)C#N)C1	ZINC000968164127	724971608	/nfs/dbraw/zinc/97/16/08/724971608.db2.gz	XDASZWDRVXYOIF-MRVPVSSYSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C=C(Br)CN[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000969211641	725162131	/nfs/dbraw/zinc/16/21/31/725162131.db2.gz	KEIGLWACEGJIHI-SSDOTTSWSA-N	-1	1	344.169	-0.005	20	30		EBEDMM
C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969527194	725188792	/nfs/dbraw/zinc/18/87/92/725188792.db2.gz	VUILBWLDLFARFS-VIFPVBQESA-N	-1	1	329.364	-0.442	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1=O	ZINC000972377515	725511233	/nfs/dbraw/zinc/51/12/33/725511233.db2.gz	HLKJNTVLJRWFIA-QGZVFWFLSA-N	-1	1	345.403	-0.675	20	30		EBEDMM
C=CCCN1CCO[C@@]2(CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1	ZINC000972492773	725534810	/nfs/dbraw/zinc/53/48/10/725534810.db2.gz	QNFACLYXJJUFRG-KRWDZBQOSA-N	-1	1	348.403	-0.021	20	30		EBEDMM
N#Cc1ccc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nn1	ZINC001051683227	735321459	/nfs/dbraw/zinc/32/14/59/735321459.db2.gz	ZLOSSGKHJZPPEF-YPMHNXCESA-N	-1	1	340.343	-0.182	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1	ZINC001006451615	726769669	/nfs/dbraw/zinc/76/96/69/726769669.db2.gz	GMLFRPKKZXRIHU-SFYZADRCSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032046866	730806637	/nfs/dbraw/zinc/80/66/37/730806637.db2.gz	FZZIWPFLINVHRQ-JSGCOSHPSA-N	-1	1	335.408	-0.362	20	30		EBEDMM
N#CCN1CCC2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)CC1	ZINC001040883008	731907382	/nfs/dbraw/zinc/90/73/82/731907382.db2.gz	RLKLYEPKJFTINQ-UHFFFAOYSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
N#CCN1CCC2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)CC1	ZINC001040914234	731916603	/nfs/dbraw/zinc/91/66/03/731916603.db2.gz	MOXBAVQNAFYJTM-UHFFFAOYSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001043097011	732753478	/nfs/dbraw/zinc/75/34/78/732753478.db2.gz	AJORICCGMQFZKI-VIFPVBQESA-N	-1	1	345.359	-0.478	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048762323	734497081	/nfs/dbraw/zinc/49/70/81/734497081.db2.gz	SQMWSUIBAWEUDV-BNLOLNQZSA-N	-1	1	349.387	-0.242	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048852587	734538338	/nfs/dbraw/zinc/53/83/38/734538338.db2.gz	PSKVHXKMSHDEQT-DYEKYZERSA-N	-1	1	347.371	-0.531	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051523351	735221147	/nfs/dbraw/zinc/22/11/47/735221147.db2.gz	CAEPJPPGYORAIC-SNVBAGLBSA-N	-1	1	331.336	-0.659	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074187	739510955	/nfs/dbraw/zinc/51/09/55/739510955.db2.gz	UEPUEWCDPMDAPG-STQMWFEESA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065154772	739564861	/nfs/dbraw/zinc/56/48/61/739564861.db2.gz	OGAHWOAJUUNOKS-OLZOCXBDSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001070987599	741020532	/nfs/dbraw/zinc/02/05/32/741020532.db2.gz	LFWKQAIOSLSKNV-VXGBXAGGSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C=CCN1CC[C@@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@@H](C)O2	ZINC001071199219	741085114	/nfs/dbraw/zinc/08/51/14/741085114.db2.gz	KJXAQEQEPHBXIT-SJKOYZFVSA-N	-1	1	348.403	-0.023	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071786829	741216462	/nfs/dbraw/zinc/21/64/62/741216462.db2.gz	JNPOKQYPDZMFJJ-QWHCGFSZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C	ZINC001071953072	741263735	/nfs/dbraw/zinc/26/37/35/741263735.db2.gz	UTAVBNDEEISHKJ-NWDGAFQWSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC001072392440	741388201	/nfs/dbraw/zinc/38/82/01/741388201.db2.gz	BMJMGCDZUFYRIJ-STQMWFEESA-N	-1	1	348.403	-0.144	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1	ZINC001074383038	741921864	/nfs/dbraw/zinc/92/18/64/741921864.db2.gz	USOYLNGSBJGHES-ZJUUUORDSA-N	-1	1	349.347	-0.665	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1	ZINC001074383037	741922076	/nfs/dbraw/zinc/92/20/76/741922076.db2.gz	USOYLNGSBJGHES-VHSXEESVSA-N	-1	1	349.347	-0.665	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cc1	ZINC001077493990	743016582	/nfs/dbraw/zinc/01/65/82/743016582.db2.gz	UWPNUOTUBWCBPG-ZIAGYGMSSA-N	-1	1	341.371	-0.935	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1	ZINC000979299168	805275633	/nfs/dbraw/zinc/27/56/33/805275633.db2.gz	YNZVPPLPIVCXGA-CABZTGNLSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001008561258	810195813	/nfs/dbraw/zinc/19/58/13/810195813.db2.gz	WRZHRAVAVYIJOQ-UPJWGTAASA-N	-1	1	335.408	-0.220	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC2(CN(CC#N)C2)CC1	ZINC001035834374	811035686	/nfs/dbraw/zinc/03/56/86/811035686.db2.gz	LYLXTMRZPZXKQI-UHFFFAOYSA-N	-1	1	333.348	-0.042	20	30		EBEDMM
C=CCCCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](O)C1	ZINC001220565109	811156509	/nfs/dbraw/zinc/15/65/09/811156509.db2.gz	MCIXPJZERXXAAK-OLZOCXBDSA-N	-1	1	346.391	-0.801	20	30		EBEDMM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc2cnncc21	ZINC001226689375	811878194	/nfs/dbraw/zinc/87/81/94/811878194.db2.gz	AEBHGNDOMZGWGP-MRVPVSSYSA-N	-1	1	342.333	-0.037	20	30		EBEDMM
CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001080413318	812020368	/nfs/dbraw/zinc/02/03/68/812020368.db2.gz	WBFDRPGRFJSLBL-NSHDSACASA-N	-1	1	347.375	-0.854	20	30		EBEDMM
C=CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424785	812913051	/nfs/dbraw/zinc/91/30/51/812913051.db2.gz	JPAUTNJYBHRBRU-AAEUAGOBSA-N	-1	1	335.360	-0.461	20	30		EBEDMM
C#CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001266485936	813581598	/nfs/dbraw/zinc/58/15/98/813581598.db2.gz	KFSFWVVDAIAREM-LBPRGKRZSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266750267	813660403	/nfs/dbraw/zinc/66/04/03/813660403.db2.gz	TULUNVNITUBTIR-QWHCGFSZSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266750266	813660977	/nfs/dbraw/zinc/66/09/77/813660977.db2.gz	TULUNVNITUBTIR-OLZOCXBDSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C#CCCN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC001267334910	813852836	/nfs/dbraw/zinc/85/28/36/813852836.db2.gz	IFPFRPPJALWOGT-UHFFFAOYSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001268253185	814160471	/nfs/dbraw/zinc/16/04/71/814160471.db2.gz	LRDYEMFJWOXKLT-JSGCOSHPSA-N	-1	1	337.424	-0.020	20	30		EBEDMM
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc[nH]c2=O)C1	ZINC001269329728	814639800	/nfs/dbraw/zinc/63/98/00/814639800.db2.gz	AOLVMAKOXXALQD-STQMWFEESA-N	-1	1	345.403	-0.144	20	30		EBEDMM
N#CCCCN1CCC2(CCN(C(=O)Cc3nn[n-]n3)CC2)C1=O	ZINC001269576876	814734415	/nfs/dbraw/zinc/73/44/15/814734415.db2.gz	ZOKAZBRILADZDR-UHFFFAOYSA-N	-1	1	331.380	-0.113	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](CCNCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001272583014	816486715	/nfs/dbraw/zinc/48/67/15/816486715.db2.gz	UZRAIYVLNKKSEM-LLVKDONJSA-N	-1	1	346.395	-0.070	20	30		EBEDMM
C=CCCC(=O)NC[C@H]1CCC2(CN(Cc3nc(=O)n(C)[n-]3)C2)O1	ZINC001273647847	816716228	/nfs/dbraw/zinc/71/62/28/816716228.db2.gz	VNTHOCWABFHEQB-GFCCVEGCSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
CC1(C)CN(CC(=O)NCC#N)C[C@@H]1NC(=O)c1ncccc1[O-]	ZINC001276580221	817433758	/nfs/dbraw/zinc/43/37/58/817433758.db2.gz	QZAULYLMXBYHAB-LBPRGKRZSA-N	-1	1	331.376	-0.133	20	30		EBEDMM
C=CCN1CCC(F)(F)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001278752984	817809708	/nfs/dbraw/zinc/80/97/08/817809708.db2.gz	QWYFTKYLDZWTGH-SECBINFHSA-N	-1	1	331.323	-0.051	20	30		EBEDMM
C=CCC[C@@H](C)N1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001278926972	817893444	/nfs/dbraw/zinc/89/34/44/817893444.db2.gz	GPAXQRKXUMSIEE-SNVBAGLBSA-N	-1	1	325.369	-0.793	20	30		EBEDMM
C=C(Cl)CNCCN(CCO)C(=O)c1c[n-]n2c1nccc2=O	ZINC001279848241	817993674	/nfs/dbraw/zinc/99/36/74/817993674.db2.gz	QSURNYVSWHMRIF-UHFFFAOYSA-N	-1	1	339.783	-0.201	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)CCn2cc[n-]c(=O)c2=O)nn1	ZINC001094499131	818277696	/nfs/dbraw/zinc/27/76/96/818277696.db2.gz	LGOPCCASTACRKY-UHFFFAOYSA-N	-1	1	343.347	-0.793	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001282079627	818358018	/nfs/dbraw/zinc/35/80/18/818358018.db2.gz	ZUYLZYFTXDOVKE-SDDRHHMPSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001282079631	818358369	/nfs/dbraw/zinc/35/83/69/818358369.db2.gz	ZUYLZYFTXDOVKE-UTUOFQBUSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001282802197	818494617	/nfs/dbraw/zinc/49/46/17/818494617.db2.gz	XXOLCLXMGUZCOZ-VXGBXAGGSA-N	-1	1	335.408	-0.527	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)cn1	ZINC001097939605	819057721	/nfs/dbraw/zinc/05/77/21/819057721.db2.gz	KMDIRMFMDVNZGN-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1nccnc1C#N	ZINC001097939411	819057870	/nfs/dbraw/zinc/05/78/70/819057870.db2.gz	HSWWOKHWSASRRZ-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccncc1C#N	ZINC001097939030	819058324	/nfs/dbraw/zinc/05/83/24/819058324.db2.gz	AGOZWVMJOWHSMC-LLVKDONJSA-N	-1	1	342.359	-0.768	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)nc1	ZINC001097940247	819059124	/nfs/dbraw/zinc/05/91/24/819059124.db2.gz	VWCPJDOUOMXSRH-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001284749731	819347073	/nfs/dbraw/zinc/34/70/73/819347073.db2.gz	LFAOBXNRTQCJLO-NSHDSACASA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-]	ZINC001285046966	819463903	/nfs/dbraw/zinc/46/39/03/819463903.db2.gz	RQYZTMSRJZCQDN-NSHDSACASA-N	-1	1	332.360	-0.449	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ncccc2[O-])nc1	ZINC001287815252	820156273	/nfs/dbraw/zinc/15/62/73/820156273.db2.gz	FOMAVUMKZAOBPY-LBPRGKRZSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C#CCN1CC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H](O)C1	ZINC001100125258	820257711	/nfs/dbraw/zinc/25/77/11/820257711.db2.gz	VDZCMFJZWYYNKT-VHSXEESVSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
CC(C)(C)C#CC(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001293304275	820739940	/nfs/dbraw/zinc/73/99/40/820739940.db2.gz	RPVQAAYWERBGEU-UHFFFAOYSA-N	-1	1	344.375	-0.297	20	30		EBEDMM
C=CCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001294773535	820996046	/nfs/dbraw/zinc/99/60/46/820996046.db2.gz	OMCVWXUWDZZSFU-GFCCVEGCSA-N	-1	1	334.376	-0.390	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107837215	823994092	/nfs/dbraw/zinc/99/40/92/823994092.db2.gz	JPLQFRDQBVBMIV-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
N#Cc1cnc(NCCN(CCO)C(=O)c2ncccc2[O-])cn1	ZINC001111465739	825143606	/nfs/dbraw/zinc/14/36/06/825143606.db2.gz	MGBDJAOJQXVEGD-UHFFFAOYSA-N	-1	1	328.332	-0.005	20	30		EBEDMM
CC#CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F	ZINC001112127522	825391574	/nfs/dbraw/zinc/39/15/74/825391574.db2.gz	SDBXSUJGPJZISS-HTQZYQBOSA-N	-1	1	345.281	-0.101	20	30		EBEDMM
CC(C)(C)OC(=O)NC1(C(=O)N([O-])C(=N)c2nonc2N)COC1	ZINC001181514123	833162295	/nfs/dbraw/zinc/16/22/95/833162295.db2.gz	XFHRREWTQBNHIO-UHFFFAOYSA-N	-1	1	342.312	-0.511	20	30		EBEDMM
Cc1cc(N[C@H](CO)CNC(=O)c2ncccc2[O-])c(C#N)cn1	ZINC001121339957	827347137	/nfs/dbraw/zinc/34/71/37/827347137.db2.gz	PWIMJHRHEPFMIV-LBPRGKRZSA-N	-1	1	327.344	-0.013	20	30		EBEDMM
CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncccc1[O-]	ZINC001124329749	827815533	/nfs/dbraw/zinc/81/55/33/827815533.db2.gz	QXSVMNHEBFGIPW-LLVKDONJSA-N	-1	1	328.332	-0.006	20	30		EBEDMM
Cc1nn[nH]c1C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001147577490	830365683	/nfs/dbraw/zinc/36/56/83/830365683.db2.gz	QJMPSGFMPNQSBG-ZETCQYMHSA-N	-1	1	339.314	-0.731	20	30		EBEDMM
C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149573940	830699384	/nfs/dbraw/zinc/69/93/84/830699384.db2.gz	SMZOOLOGRPAPGR-CYBMUJFWSA-N	-1	1	348.403	-0.090	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149673509	830727437	/nfs/dbraw/zinc/72/74/37/830727437.db2.gz	NJHVIHIWJNLWFI-CYBMUJFWSA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C=CCN1CCCO[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001150452301	830903735	/nfs/dbraw/zinc/90/37/35/830903735.db2.gz	DXDCGKQMBYGEMJ-LBPRGKRZSA-N	-1	1	346.391	-0.536	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001353191951	832415460	/nfs/dbraw/zinc/41/54/60/832415460.db2.gz	BVWZUHNDQFPASX-CMPLNLGQSA-N	-1	1	347.375	-0.903	20	30		EBEDMM
Cc1n[nH]c(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])n1	ZINC001189876446	834204626	/nfs/dbraw/zinc/20/46/26/834204626.db2.gz	PPFDHBMPNMXZAS-SSDOTTSWSA-N	-1	1	339.314	-0.731	20	30		EBEDMM
C[C@H]1[C@H](NC(=O)c2ccc(O)c(C#N)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001193511982	834893253	/nfs/dbraw/zinc/89/32/53/834893253.db2.gz	IYOJBPLJGSLFCU-WKEGUHRASA-N	-1	1	325.302	-0.604	20	30		EBEDMM
C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2O)C(=O)N1S(=O)(=O)[O-]	ZINC001193657825	834923789	/nfs/dbraw/zinc/92/37/89/834923789.db2.gz	HNWIBJPSNNLXOX-RCOVLWMOSA-N	-1	1	325.302	-0.604	20	30		EBEDMM
COCC#CCN1C[C@@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001209239497	837142864	/nfs/dbraw/zinc/14/28/64/837142864.db2.gz	VBMYDKFFOMXFKW-TZMCWYRMSA-N	-1	1	343.387	-0.278	20	30		EBEDMM
COCC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001325897764	839968623	/nfs/dbraw/zinc/96/86/23/839968623.db2.gz	KRZXXEVOXPQTSN-VXGBXAGGSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001325913211	839974112	/nfs/dbraw/zinc/97/41/12/839974112.db2.gz	RRYZAOCKAIMJCV-GWCFXTLKSA-N	-1	1	329.360	-0.012	20	30		EBEDMM
NS(=O)(=O)c1cc(C=Nn2c(=O)cn[n-]c2=S)ccc1F	ZINC001327089885	840298275	/nfs/dbraw/zinc/29/82/75/840298275.db2.gz	BHELZILICKCVFV-UHFFFAOYSA-N	-1	1	329.338	-0.404	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1	ZINC001334202266	842009321	/nfs/dbraw/zinc/00/93/21/842009321.db2.gz	LCHTXFLPYFGDIG-SFHVURJKSA-N	-1	1	349.431	-0.281	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001334397579	842048575	/nfs/dbraw/zinc/04/85/75/842048575.db2.gz	AGNTYILKKQTTFU-MNOVXSKESA-N	-1	1	335.364	-0.951	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)C#CC(C)C)CC1	ZINC001348219898	843668409	/nfs/dbraw/zinc/66/84/09/843668409.db2.gz	DZMFYTUEDGSZLR-UHFFFAOYSA-N	-1	1	348.359	-0.160	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573561184	946960663	/nfs/dbraw/zinc/96/06/63/946960663.db2.gz	IWGHFDMDLFOEMX-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573561184	946960667	/nfs/dbraw/zinc/96/06/67/946960667.db2.gz	IWGHFDMDLFOEMX-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573562337	946974503	/nfs/dbraw/zinc/97/45/03/946974503.db2.gz	SLVRCFWXNAQSFJ-MWLCHTKSSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1	ZINC001573565749	947012408	/nfs/dbraw/zinc/01/24/08/947012408.db2.gz	VJRZQPLMNZUFQU-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1	ZINC001573565749	947012417	/nfs/dbraw/zinc/01/24/17/947012417.db2.gz	VJRZQPLMNZUFQU-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573566577	947026359	/nfs/dbraw/zinc/02/63/59/947026359.db2.gz	DIFSCNAGJVVKJT-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573566577	947026364	/nfs/dbraw/zinc/02/63/64/947026364.db2.gz	DIFSCNAGJVVKJT-SNVBAGLBSA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573297777	947065799	/nfs/dbraw/zinc/06/57/99/947065799.db2.gz	LRUNNJCFEGEPTQ-JTQLQIEISA-N	-1	1	344.379	-0.098	20	30		EBEDMM
C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573297777	947065807	/nfs/dbraw/zinc/06/58/07/947065807.db2.gz	LRUNNJCFEGEPTQ-JTQLQIEISA-N	-1	1	344.379	-0.098	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1	ZINC001573570073	947084013	/nfs/dbraw/zinc/08/40/13/947084013.db2.gz	JRMBJYRITAGLEQ-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1	ZINC001573570073	947084022	/nfs/dbraw/zinc/08/40/22/947084022.db2.gz	JRMBJYRITAGLEQ-ZJUUUORDSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21	ZINC001573570605	947090582	/nfs/dbraw/zinc/09/05/82/947090582.db2.gz	RELRXZLRWBBTPV-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573570605	947090594	/nfs/dbraw/zinc/09/05/94/947090594.db2.gz	RELRXZLRWBBTPV-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1	ZINC001573570696	947092242	/nfs/dbraw/zinc/09/22/42/947092242.db2.gz	SABQECSJLVFGJW-GMTAPVOTSA-N	-1	1	341.379	-0.255	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1	ZINC001573570781	947093111	/nfs/dbraw/zinc/09/31/11/947093111.db2.gz	TXMJNQKGBUCTHO-MXWKQRLJSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1	ZINC001573570781	947093119	/nfs/dbraw/zinc/09/31/19/947093119.db2.gz	TXMJNQKGBUCTHO-MXWKQRLJSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573572344	947110648	/nfs/dbraw/zinc/11/06/48/947110648.db2.gz	GYWFNKFHYWGUEE-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573572344	947110658	/nfs/dbraw/zinc/11/06/58/947110658.db2.gz	GYWFNKFHYWGUEE-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC001573582499	947191896	/nfs/dbraw/zinc/19/18/96/947191896.db2.gz	DXBRJEISHDBHIS-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC001573582499	947191905	/nfs/dbraw/zinc/19/19/05/947191905.db2.gz	DXBRJEISHDBHIS-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573583147	947199656	/nfs/dbraw/zinc/19/96/56/947199656.db2.gz	KCLMLXDVACKSJW-ZJUUUORDSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573584255	947216872	/nfs/dbraw/zinc/21/68/72/947216872.db2.gz	RYFGHQLZEBCFBS-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573584255	947216882	/nfs/dbraw/zinc/21/68/82/947216882.db2.gz	RYFGHQLZEBCFBS-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573310654	947226792	/nfs/dbraw/zinc/22/67/92/947226792.db2.gz	YVPBYMHQYYFVDW-BONVTDFDSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573310654	947226807	/nfs/dbraw/zinc/22/68/07/947226807.db2.gz	YVPBYMHQYYFVDW-BONVTDFDSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573584965	947241138	/nfs/dbraw/zinc/24/11/38/947241138.db2.gz	IEYLDVXVWPBXPN-GARJFASQSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@H](C#N)CN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573585081	947244391	/nfs/dbraw/zinc/24/43/91/947244391.db2.gz	CHFGPDWLBBUQQO-MRVPVSSYSA-N	-1	1	344.335	-0.720	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C	ZINC001573585033	947244810	/nfs/dbraw/zinc/24/48/10/947244810.db2.gz	IZMCNAKFRSLNDE-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C	ZINC001573585033	947244817	/nfs/dbraw/zinc/24/48/17/947244817.db2.gz	IZMCNAKFRSLNDE-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H]1CC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CS1(=O)=O	ZINC001570935112	948965745	/nfs/dbraw/zinc/96/57/45/948965745.db2.gz	PYHMYXGZMPXISW-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
CC1(C#N)CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1	ZINC001575524960	949331087	/nfs/dbraw/zinc/33/10/87/949331087.db2.gz	MEQYGGVLNPZVMR-UHFFFAOYSA-N	-1	1	344.335	-0.719	20	30		EBEDMM
CC(C)(CC#N)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570946123	949524859	/nfs/dbraw/zinc/52/48/59/949524859.db2.gz	JPAMUTVNSLBKTJ-UHFFFAOYSA-N	-1	1	346.351	-0.425	20	30		EBEDMM
Cc1[nH]c(C#N)cc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001571213177	962471712	/nfs/dbraw/zinc/47/17/12/962471712.db2.gz	KZEYWPBYGPUJLW-UHFFFAOYSA-N	-1	1	333.392	-0.031	20	30		EBEDMM
C#CCNC(=O)CN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001573311592	962707185	/nfs/dbraw/zinc/70/71/85/962707185.db2.gz	UNAJGPJBOAAUHY-STQMWFEESA-N	-1	1	333.388	-0.619	20	30		EBEDMM
C#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001573311587	962707491	/nfs/dbraw/zinc/70/74/91/962707491.db2.gz	UNAJGPJBOAAUHY-CHWSQXEVSA-N	-1	1	333.388	-0.619	20	30		EBEDMM
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001588461047	983488441	/nfs/dbraw/zinc/48/84/41/983488441.db2.gz	DADFYNLQNAWUJE-RYUDHWBXSA-N	-1	1	325.365	-0.099	20	30		EBEDMM
C#CCNC(=O)CN1CCC(C)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588484110	983522883	/nfs/dbraw/zinc/52/28/83/983522883.db2.gz	QJMRGEIEHADVBV-STQMWFEESA-N	-1	1	335.404	-0.325	20	30		EBEDMM
C#Cc1cncc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c1	ZINC001588528699	983577819	/nfs/dbraw/zinc/57/78/19/983577819.db2.gz	DUCKBYNUJQHWJD-UHFFFAOYSA-N	-1	1	330.388	-0.163	20	30		EBEDMM
CN1CCN(CCN(CC(=O)[O-])C(=O)c2cc(C#N)ccn2)CC1	ZINC001598616946	993902329	/nfs/dbraw/zinc/90/23/29/993902329.db2.gz	QRDKKVLBLUEDMW-UHFFFAOYSA-N	-1	1	331.376	-0.273	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001358622784	1131234722	/nfs/dbraw/zinc/23/47/22/1131234722.db2.gz	QRPRSTGTVVSCBL-ZDUSSCGKSA-N	-1	1	344.371	-0.943	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001484675290	1126617880	/nfs/dbraw/zinc/61/78/80/1126617880.db2.gz	WAXFAHGMCLDVBJ-IINYFYTJSA-N	-1	1	325.369	-0.846	20	30		EBEDMM
C=CCCCC(=O)N[C@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001484800646	1126634028	/nfs/dbraw/zinc/63/40/28/1126634028.db2.gz	CLIQSWYQNIOCEW-GFCCVEGCSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)c1	ZINC001485350688	1126691889	/nfs/dbraw/zinc/69/18/89/1126691889.db2.gz	QHEDDGZGLJNWCE-NSHDSACASA-N	-1	1	328.376	-0.265	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)o1	ZINC001364837842	1127665741	/nfs/dbraw/zinc/66/57/41/1127665741.db2.gz	UWOTZSMMHKFUPA-UHFFFAOYSA-N	-1	1	334.375	-0.631	20	30		EBEDMM
C=CCCCC(=O)N1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001358740213	1131272789	/nfs/dbraw/zinc/27/27/89/1131272789.db2.gz	SLZODMVRJALIJR-UHFFFAOYSA-N	-1	1	348.403	-0.048	20	30		EBEDMM
C#CCN(C(C)=O)C1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001358753943	1131277424	/nfs/dbraw/zinc/27/74/24/1131277424.db2.gz	DYWFYSOYQRJPIH-UHFFFAOYSA-N	-1	1	342.359	-0.496	20	30		EBEDMM
C#CCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)CC(N)=O)CC1	ZINC001358759701	1131278688	/nfs/dbraw/zinc/27/86/88/1131278688.db2.gz	XZKJBZALJWMIBR-UHFFFAOYSA-N	-1	1	344.371	-0.271	20	30		EBEDMM
C[C@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)n1cnc(C#N)n1	ZINC001413454366	1130094013	/nfs/dbraw/zinc/09/40/13/1130094013.db2.gz	NCGYEADLCXPRMH-MRVPVSSYSA-N	-1	1	329.320	-0.405	20	30		EBEDMM
COCC#CCN(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001492314306	1130624551	/nfs/dbraw/zinc/62/45/51/1130624551.db2.gz	ZFUMHAVJLKMRLX-UHFFFAOYSA-N	-1	1	325.369	-0.833	20	30		EBEDMM
C[C@@H](O)CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC001362409579	1131577415	/nfs/dbraw/zinc/57/74/15/1131577415.db2.gz	RZIOLSZFAQVZOH-VXGBXAGGSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
N#Cc1cn(CC(=O)N[C@@H]2CCCN3CCSC[C@H]23)c(=O)[n-]c1=O	ZINC001363603244	1132030062	/nfs/dbraw/zinc/03/00/62/1132030062.db2.gz	LBBKRIRDQQTFON-VXGBXAGGSA-N	-1	1	349.416	-0.483	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364039012	1132177330	/nfs/dbraw/zinc/17/73/30/1132177330.db2.gz	AUWBHUUUTSOYPA-VIFPVBQESA-N	-1	1	341.393	-0.319	20	30		EBEDMM
C=C(Cl)CNC[C@@H](O)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001374658473	1136781785	/nfs/dbraw/zinc/78/17/85/1136781785.db2.gz	SVKSNWCPCMIJCK-SECBINFHSA-N	-1	1	325.756	-0.545	20	30		EBEDMM
COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1	ZINC000336936067	378585719	/nfs/dbraw/zinc/58/57/19/378585719.db2.gz	FTGMBLXYLPCEEL-YUMQZZPRSA-N	-1	1	345.299	-0.461	20	30		EBEDMM
N#CCN1CCC(CNC(=O)CNC(=O)c2ncccc2[O-])CC1	ZINC000337897670	378705264	/nfs/dbraw/zinc/70/52/64/378705264.db2.gz	FPENAAIRCOIKCY-UHFFFAOYSA-N	-1	1	331.376	-0.131	20	30		EBEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c1	ZINC000574054066	379224431	/nfs/dbraw/zinc/22/44/31/379224431.db2.gz	SKMABHWAQJVXOW-CYBMUJFWSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491747884	379621130	/nfs/dbraw/zinc/62/11/30/379621130.db2.gz	QQLFKGXOGTXEMB-UHFFFAOYSA-N	-1	1	334.423	-0.174	20	30		EBEDMM
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349573098	421194896	/nfs/dbraw/zinc/19/48/96/421194896.db2.gz	JAPPSXFBGOOSBV-UHFFFAOYSA-N	-1	1	332.407	-0.024	20	30		EBEDMM
C#CC1(O)CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1	ZINC000890520636	582530613	/nfs/dbraw/zinc/53/06/13/582530613.db2.gz	LJFOPOSYYNEAJP-UHFFFAOYSA-N	-1	1	346.387	-0.534	20	30		EBEDMM
O=C(NCCNC(=O)C1N=CC=CC1=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000735116722	582889342	/nfs/dbraw/zinc/88/93/42/582889342.db2.gz	SMTOOSIPKBYBCI-KAMYIIQDSA-N	-1	1	347.287	-0.048	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC000735432632	582894761	/nfs/dbraw/zinc/89/47/61/582894761.db2.gz	RGBDAYYDTJYVAQ-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC000735432632	582894763	/nfs/dbraw/zinc/89/47/63/582894763.db2.gz	RGBDAYYDTJYVAQ-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
CC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000735467244	582895405	/nfs/dbraw/zinc/89/54/05/582895405.db2.gz	KPLZJPHDEFMYOP-ZETCQYMHSA-N	-1	1	333.337	-0.679	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nccnc1C#N	ZINC000736797417	582957283	/nfs/dbraw/zinc/95/72/83/582957283.db2.gz	IBAJVSANAQFROP-UHFFFAOYSA-N	-1	1	325.340	-0.097	20	30		EBEDMM
COC(=O)N(C)CCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736933015	582976557	/nfs/dbraw/zinc/97/65/57/582976557.db2.gz	ZZRRYYDWQBTXDB-UHFFFAOYSA-N	-1	1	333.312	-0.122	20	30		EBEDMM
N#Cc1nccnc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000737732503	583024532	/nfs/dbraw/zinc/02/45/32/583024532.db2.gz	YQKZKLRHIVLRSU-UHFFFAOYSA-N	-1	1	335.335	-0.355	20	30		EBEDMM
N#Cc1nccnc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000737732503	583024535	/nfs/dbraw/zinc/02/45/35/583024535.db2.gz	YQKZKLRHIVLRSU-UHFFFAOYSA-N	-1	1	335.335	-0.355	20	30		EBEDMM
C=CCNC(=O)NC(=O)COC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000756400507	583183061	/nfs/dbraw/zinc/18/30/61/583183061.db2.gz	DEAAWJHFETZZGS-UHFFFAOYSA-N	-1	1	345.333	-0.644	20	30		EBEDMM
Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn[n-]n3)CC2)o1	ZINC000805608155	583422050	/nfs/dbraw/zinc/42/20/50/583422050.db2.gz	ZLGZJMQLBUWEBF-UHFFFAOYSA-N	-1	1	345.319	-0.522	20	30		EBEDMM
C#CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819701404	583759784	/nfs/dbraw/zinc/75/97/84/583759784.db2.gz	FUHJZCUVKVASRI-SNVBAGLBSA-N	-1	1	327.352	-0.490	20	30		EBEDMM
C#CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819701404	583759787	/nfs/dbraw/zinc/75/97/87/583759787.db2.gz	FUHJZCUVKVASRI-SNVBAGLBSA-N	-1	1	327.352	-0.490	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819845861	583762240	/nfs/dbraw/zinc/76/22/40/583762240.db2.gz	XMOYLTRJFWTICM-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819845861	583762242	/nfs/dbraw/zinc/76/22/42/583762242.db2.gz	XMOYLTRJFWTICM-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(CC#N)CC2)n1	ZINC000822614785	583814354	/nfs/dbraw/zinc/81/43/54/583814354.db2.gz	SCZXZGGGWBNAKU-UHFFFAOYSA-N	-1	1	330.356	-0.290	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(CC#N)CC2)n1	ZINC000822614785	583814356	/nfs/dbraw/zinc/81/43/56/583814356.db2.gz	SCZXZGGGWBNAKU-UHFFFAOYSA-N	-1	1	330.356	-0.290	20	30		EBEDMM
C#CCN1CCN(C(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)CC1	ZINC000825620126	583864507	/nfs/dbraw/zinc/86/45/07/583864507.db2.gz	WURFYSVUYGIWPG-HNNXBMFYSA-N	-1	1	337.420	-0.281	20	30		EBEDMM
CS(=O)(=O)CC1(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)CCC1	ZINC000826222802	583888283	/nfs/dbraw/zinc/88/82/83/583888283.db2.gz	NLCKPDUEFLSIBW-UHFFFAOYSA-N	-1	1	336.381	-0.268	20	30		EBEDMM
CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000848957965	584164759	/nfs/dbraw/zinc/16/47/59/584164759.db2.gz	ZKDYWBNAWLTVJV-UHFFFAOYSA-N	-1	1	348.406	-0.092	20	30		EBEDMM
C#CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1	ZINC000862568022	584351643	/nfs/dbraw/zinc/35/16/43/584351643.db2.gz	RTJVTEWYULRJEA-SNVBAGLBSA-N	-1	1	339.373	-0.471	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000941662483	652863088	/nfs/dbraw/zinc/86/30/88/652863088.db2.gz	AHJKKNWOOALLIV-HTQZYQBOSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000939398463	652925723	/nfs/dbraw/zinc/92/57/23/652925723.db2.gz	XJZBURYATTVSGN-BDAKNGLRSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C=C(Cl)CN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000951777240	654278946	/nfs/dbraw/zinc/27/89/46/654278946.db2.gz	CZTHKOCVWWFIJM-UHFFFAOYSA-N	-1	1	326.784	-0.177	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1	ZINC000951866952	654323969	/nfs/dbraw/zinc/32/39/69/654323969.db2.gz	AFBJOXGGDSYHCB-IUCAKERBSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000965850755	724532322	/nfs/dbraw/zinc/53/23/22/724532322.db2.gz	FWKDXIHHLSPGST-GWCFXTLKSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000958367956	722353251	/nfs/dbraw/zinc/35/32/51/722353251.db2.gz	GVKFIHJOIFBCKK-IQJOONFLSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(C(=O)C#CC2CC2)C1	ZINC000996394856	726383709	/nfs/dbraw/zinc/38/37/09/726383709.db2.gz	ABCFLHKGBOPPCP-UHFFFAOYSA-N	-1	1	332.316	-0.750	20	30		EBEDMM
C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CCN(CC#N)CC1	ZINC000997391012	726449704	/nfs/dbraw/zinc/44/97/04/726449704.db2.gz	TVUBDKLAGIHJRE-SNVBAGLBSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C#CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC[C@@H]1C(F)(F)F	ZINC000998284259	726483489	/nfs/dbraw/zinc/48/34/89/726483489.db2.gz	XUPSUVISTZPDAU-JGVFFNPUSA-N	-1	1	345.281	-0.101	20	30		EBEDMM
N#CCN1CCC(C2(NC(=O)c3cc(=O)n4[n-]cnc4n3)CC2)CC1	ZINC001000314326	726563482	/nfs/dbraw/zinc/56/34/82/726563482.db2.gz	KQOJJBHMZXSZQH-UHFFFAOYSA-N	-1	1	341.375	-0.084	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001006467558	726770399	/nfs/dbraw/zinc/77/03/99/726770399.db2.gz	LDBGMHFSVDURBX-IUCAKERBSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)nc1	ZINC001051907888	735457879	/nfs/dbraw/zinc/45/78/79/735457879.db2.gz	CGZJUPCLJVHYCV-LBPRGKRZSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001026400619	730143469	/nfs/dbraw/zinc/14/34/69/730143469.db2.gz	MKOBDCJDUYNDPN-HBNTYKKESA-N	-1	1	327.348	-0.619	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC001027813625	730240522	/nfs/dbraw/zinc/24/05/22/730240522.db2.gz	XQCFCFFMKKUWHX-LLVKDONJSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001029860365	730514142	/nfs/dbraw/zinc/51/41/42/730514142.db2.gz	QPKHOSKGIXXTOL-NSHDSACASA-N	-1	1	346.395	-0.118	20	30		EBEDMM
C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)c1	ZINC001032617850	730899476	/nfs/dbraw/zinc/89/94/76/730899476.db2.gz	WERYBQYSOQXUIL-KBPBESRZSA-N	-1	1	338.371	-0.416	20	30		EBEDMM
C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039718725	731502750	/nfs/dbraw/zinc/50/27/50/731502750.db2.gz	GZNBAOYEMDZLDH-QGZVFWFLSA-N	-1	1	347.371	-0.480	20	30		EBEDMM
N#CCN1CC[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC001042312066	732403990	/nfs/dbraw/zinc/40/39/90/732403990.db2.gz	MTJKWCDXXBJIPN-JQWIXIFHSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042713411	732547327	/nfs/dbraw/zinc/54/73/27/732547327.db2.gz	XMGHMINEYMGOMQ-HNNXBMFYSA-N	-1	1	335.360	-0.583	20	30		EBEDMM
C=C(C)CN1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051206788	735098885	/nfs/dbraw/zinc/09/88/85/735098885.db2.gz	NFMISHOGLMMWBI-SNVBAGLBSA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C=CCCN1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981873	736132298	/nfs/dbraw/zinc/13/22/98/736132298.db2.gz	WUTBGFBJZSMMJY-LLVKDONJSA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C#CCCN1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981651	736132360	/nfs/dbraw/zinc/13/23/60/736132360.db2.gz	RESPOWQSNBTTAG-LLVKDONJSA-N	-1	1	342.359	-0.986	20	30		EBEDMM
C#CCCN1CC2(C1)C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982882	736133695	/nfs/dbraw/zinc/13/36/95/736133695.db2.gz	QNKAHJCTOULMHN-SNVBAGLBSA-N	-1	1	348.359	-0.507	20	30		EBEDMM
N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2ncccc2[O-])c[nH]1	ZINC001057391510	737211049	/nfs/dbraw/zinc/21/10/49/737211049.db2.gz	AQHRHNDIKVIGTE-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057413495	737233903	/nfs/dbraw/zinc/23/39/03/737233903.db2.gz	YNUOSMYCNHBIDC-GFCCVEGCSA-N	-1	1	335.360	-0.624	20	30		EBEDMM
C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057416626	737236154	/nfs/dbraw/zinc/23/61/54/737236154.db2.gz	FPLRMMUZOVJFQJ-GFCCVEGCSA-N	-1	1	337.376	-0.071	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1	ZINC001063712057	739184722	/nfs/dbraw/zinc/18/47/22/739184722.db2.gz	WSCWNKJICLZGRQ-QMMMGPOBSA-N	-1	1	349.347	-0.175	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074182	739511049	/nfs/dbraw/zinc/51/10/49/739511049.db2.gz	UEPUEWCDPMDAPG-CHWSQXEVSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O	ZINC001065586654	739779107	/nfs/dbraw/zinc/77/91/07/739779107.db2.gz	KFOUZICIIQNDLZ-JQWIXIFHSA-N	-1	1	340.343	-0.229	20	30		EBEDMM
N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)cn1	ZINC001067665169	740177547	/nfs/dbraw/zinc/17/75/47/740177547.db2.gz	KMIITRQXJPJHFF-GXFFZTMASA-N	-1	1	340.343	-0.324	20	30		EBEDMM
N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067665331	740178074	/nfs/dbraw/zinc/17/80/74/740178074.db2.gz	MZDNWMOYFCQVIU-MFKMUULPSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001071786613	741216408	/nfs/dbraw/zinc/21/64/08/741216408.db2.gz	GOBDOLDOSVHFHT-PWSUYJOCSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000978041065	804629378	/nfs/dbraw/zinc/62/93/78/804629378.db2.gz	ABGVJRMSXWNMHI-NXEZZACHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
COCC#CCN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC001217675522	810449979	/nfs/dbraw/zinc/44/99/79/810449979.db2.gz	SOGKGSYTSIBIHA-DZGCQCFKSA-N	-1	1	331.372	-0.038	20	30		EBEDMM
CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001217843626	810464951	/nfs/dbraw/zinc/46/49/51/810464951.db2.gz	DHBFJYUXIRFUCA-QWHCGFSZSA-N	-1	1	333.392	-0.821	20	30		EBEDMM
C=C(C)CCN1CCO[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001035466604	810823320	/nfs/dbraw/zinc/82/33/20/810823320.db2.gz	IQDWCPKWVVVXAY-LBPRGKRZSA-N	-1	1	336.392	-0.117	20	30		EBEDMM
C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCCC1	ZINC001221191325	811412621	/nfs/dbraw/zinc/41/26/21/811412621.db2.gz	OYORLEQEKPUAIY-OLZOCXBDSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221516383	811477288	/nfs/dbraw/zinc/47/72/88/811477288.db2.gz	NPLJOHHEPOANPI-XHBSWPGZSA-N	-1	1	335.408	-0.532	20	30		EBEDMM
C=C[C@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227474303	811924962	/nfs/dbraw/zinc/92/49/62/811924962.db2.gz	YBNXTBBDTNSXPA-RXMQYKEDSA-N	-1	1	335.276	-0.330	20	30		EBEDMM
CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3[O-])C[C@H]21	ZINC001232677596	812310965	/nfs/dbraw/zinc/31/09/65/812310965.db2.gz	MUBRAUJPMXRSDU-ZBFHGGJFSA-N	-1	1	330.388	-0.105	20	30		EBEDMM
C=CCS(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)ncn1	ZINC001259923140	812815957	/nfs/dbraw/zinc/81/59/57/812815957.db2.gz	VAIPLIDTVPCMJS-UHFFFAOYSA-N	-1	1	327.410	-0.481	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424377	812911179	/nfs/dbraw/zinc/91/11/79/812911179.db2.gz	DRFQWZANJXEXNV-OCCSQVGLSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
CC(C)C#CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001081425996	812917596	/nfs/dbraw/zinc/91/75/96/812917596.db2.gz	YVQXFDDXPONPJF-TZMCWYRMSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081428526	812922790	/nfs/dbraw/zinc/92/27/90/812922790.db2.gz	RMIAEBBFONCPSU-JSGCOSHPSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
COCC#CCN1CC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001269331017	814641099	/nfs/dbraw/zinc/64/10/99/814641099.db2.gz	HONHJIAJZLOYEN-SNVBAGLBSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)Cc2nn[n-]n2)C1	ZINC001270789923	815893435	/nfs/dbraw/zinc/89/34/35/815893435.db2.gz	XOZXLJIYEYWVFQ-FDRIWYBQSA-N	-1	1	343.391	-0.355	20	30		EBEDMM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001088631000	816716369	/nfs/dbraw/zinc/71/63/69/816716369.db2.gz	MJBUFAYCKGKZRW-RDBSUJKOSA-N	-1	1	346.435	-0.715	20	30		EBEDMM
CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)c1ncccc1[O-]	ZINC001275100346	817150822	/nfs/dbraw/zinc/15/08/22/817150822.db2.gz	JHMYWJZXIAJNFM-GFCCVEGCSA-N	-1	1	331.376	-0.037	20	30		EBEDMM
C=C1CCC(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001090548339	817530220	/nfs/dbraw/zinc/53/02/20/817530220.db2.gz	XGRQTMISFHORCW-KGLIPLIRSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@]2(O)CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001278804366	817840124	/nfs/dbraw/zinc/84/01/24/817840124.db2.gz	ABNPEQATAAKFCG-QGZVFWFLSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
C=CCC(C)(C)C(=O)N(C)C[C@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001278878016	817881438	/nfs/dbraw/zinc/88/14/38/817881438.db2.gz	GNECIIWEXZBFOY-GFCCVEGCSA-N	-1	1	339.440	-0.038	20	30		EBEDMM
N#CCN1CC[C@@]2(CNC(=O)c3cc(=O)n4[n-]cnc4n3)CCC[C@@H]12	ZINC001094559320	818285625	/nfs/dbraw/zinc/28/56/25/818285625.db2.gz	NZICLSIRGYEGET-MLGOLLRUSA-N	-1	1	341.375	-0.084	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001096034671	818724567	/nfs/dbraw/zinc/72/45/67/818724567.db2.gz	OOHZEJKTSCJAPR-DGTMBMJNSA-N	-1	1	347.419	-0.079	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1cnc(C#N)cn1	ZINC001097950429	819062326	/nfs/dbraw/zinc/06/23/26/819062326.db2.gz	OSIUSMNYJQBNSJ-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C#CCOCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001284051861	819079961	/nfs/dbraw/zinc/07/99/61/819079961.db2.gz	RPKJBOCXLUVVEQ-SUMWQHHRSA-N	-1	1	347.419	-0.239	20	30		EBEDMM
C#CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285355644	819553301	/nfs/dbraw/zinc/55/33/01/819553301.db2.gz	IGFICXXDBDWUFA-GHMZBOCLSA-N	-1	1	344.375	-0.156	20	30		EBEDMM
C#CCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)C(N)=O)CC1	ZINC001286048819	819884520	/nfs/dbraw/zinc/88/45/20/819884520.db2.gz	DOFZNXWKLBMUBD-UHFFFAOYSA-N	-1	1	330.344	-0.661	20	30		EBEDMM
C#CCCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099960031	819965386	/nfs/dbraw/zinc/96/53/86/819965386.db2.gz	NDZCLVTXCBSPPF-KBPBESRZSA-N	-1	1	349.435	-0.257	20	30		EBEDMM
C#CCN1CC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1	ZINC001100125257	820256605	/nfs/dbraw/zinc/25/66/05/820256605.db2.gz	VDZCMFJZWYYNKT-UWVGGRQHSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
C#CCN1CC[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H](O)C1	ZINC001100125256	820256901	/nfs/dbraw/zinc/25/69/01/820256901.db2.gz	VDZCMFJZWYYNKT-NXEZZACHSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1cnc(C#N)cn1	ZINC001101699203	820883252	/nfs/dbraw/zinc/88/32/52/820883252.db2.gz	OMOLDFJUKYWXAR-UHFFFAOYSA-N	-1	1	345.319	-0.258	20	30		EBEDMM
C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CCNCC#N	ZINC001104902270	821563021	/nfs/dbraw/zinc/56/30/21/821563021.db2.gz	NZVMOZDKLUEGCZ-GHMZBOCLSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1	ZINC001317537926	822149688	/nfs/dbraw/zinc/14/96/88/822149688.db2.gz	SCRBACIOFDFRKF-LLVKDONJSA-N	-1	1	332.364	-0.818	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107836955	823993834	/nfs/dbraw/zinc/99/38/34/823993834.db2.gz	DVACMEYILNHCQV-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107837492	823993900	/nfs/dbraw/zinc/99/39/00/823993900.db2.gz	QWYRGCQFLGOOSY-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001107934858	824045907	/nfs/dbraw/zinc/04/59/07/824045907.db2.gz	NKVYHXAODUSJDT-KRWDZBQOSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C=CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108341448	824228614	/nfs/dbraw/zinc/22/86/14/824228614.db2.gz	ZKLFQCJRUBZWLT-HNNXBMFYSA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C=CCN1CCO[C@](C)(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001108341363	824229420	/nfs/dbraw/zinc/22/94/20/824229420.db2.gz	YASCAYWSNHQVCJ-OAHLLOKOSA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C[C@@H](CNc1nccnc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108444725	824288903	/nfs/dbraw/zinc/28/89/03/824288903.db2.gz	CNCBZQHNSNJGDY-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108445195	824289004	/nfs/dbraw/zinc/28/90/04/824289004.db2.gz	QWYRGCQFLGOOSY-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C[C@@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461234	824295583	/nfs/dbraw/zinc/29/55/83/824295583.db2.gz	FGKGCXPZJFREMQ-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001111066025	824894486	/nfs/dbraw/zinc/89/44/86/824894486.db2.gz	LGDGKHCAEUCDOP-MRXNPFEDSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
N#Cc1ccc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)c(F)c1	ZINC001130863420	828980134	/nfs/dbraw/zinc/98/01/34/828980134.db2.gz	PBSQZZMWZYCUQF-UHFFFAOYSA-N	-1	1	332.295	-0.187	20	30		EBEDMM
CC(=O)N1CC[C@@H](N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C1	ZINC001169535747	832466854	/nfs/dbraw/zinc/46/68/54/832466854.db2.gz	YGVSUARDGRCQAT-MNOVXSKESA-N	-1	1	341.370	-0.377	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@@H]1CC(=O)N(c2nccs2)C1	ZINC001177324836	832774540	/nfs/dbraw/zinc/77/45/40/832774540.db2.gz	FMPQDQUEOFDMOA-RXMQYKEDSA-N	-1	1	337.321	-0.295	20	30		EBEDMM
Cc1n[nH]c(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])n1	ZINC001189876447	834205324	/nfs/dbraw/zinc/20/53/24/834205324.db2.gz	PPFDHBMPNMXZAS-ZETCQYMHSA-N	-1	1	339.314	-0.731	20	30		EBEDMM
CS(=O)(=O)Cc1ncccc1C(=O)N([O-])C(=N)c1nonc1N	ZINC001196048626	835337557	/nfs/dbraw/zinc/33/75/57/835337557.db2.gz	DEEQIZKHXFXYFH-UHFFFAOYSA-N	-1	1	340.321	-0.552	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200478673	835972145	/nfs/dbraw/zinc/97/21/45/835972145.db2.gz	LDGAAPUMWFBNOU-VXGBXAGGSA-N	-1	1	337.380	-0.744	20	30		EBEDMM
C#CCOCCC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200502155	835975746	/nfs/dbraw/zinc/97/57/46/835975746.db2.gz	WRRBAGIACYGZFY-LBPRGKRZSA-N	-1	1	337.380	-0.743	20	30		EBEDMM
C=C(Cl)CNC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCCO1	ZINC001200894606	836063057	/nfs/dbraw/zinc/06/30/57/836063057.db2.gz	NKCCAJUTLZKLHZ-SECBINFHSA-N	-1	1	343.771	-0.144	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202200886	836272568	/nfs/dbraw/zinc/27/25/68/836272568.db2.gz	SSJSVJKTXQBOML-RYUDHWBXSA-N	-1	1	339.396	-0.192	20	30		EBEDMM
CC#CCCCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001319320778	838110807	/nfs/dbraw/zinc/11/08/07/838110807.db2.gz	YPVQIAWIAIKFGI-CYBMUJFWSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C=CCCn1cc(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001320058285	838218640	/nfs/dbraw/zinc/21/86/40/838218640.db2.gz	LGOKWNTXUBRHAA-UHFFFAOYSA-N	-1	1	348.411	-0.520	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1	ZINC001334202265	842009425	/nfs/dbraw/zinc/00/94/25/842009425.db2.gz	LCHTXFLPYFGDIG-GOSISDBHSA-N	-1	1	349.431	-0.281	20	30		EBEDMM
C=CCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001338117405	842752171	/nfs/dbraw/zinc/75/21/71/842752171.db2.gz	OUHAYEQBBJRQAD-OLZOCXBDSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
CC(=O)NCC1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001573529395	946674109	/nfs/dbraw/zinc/67/41/09/946674109.db2.gz	GATXBFMAEMTZLQ-UHFFFAOYSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001573530511	946699434	/nfs/dbraw/zinc/69/94/34/946699434.db2.gz	TYVLCSLADWHRMK-UHFFFAOYSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001573530511	946699439	/nfs/dbraw/zinc/69/94/39/946699439.db2.gz	TYVLCSLADWHRMK-UHFFFAOYSA-N	-1	1	327.352	-0.119	20	30		EBEDMM
CC(=O)N[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C(C)(C)C	ZINC001573540403	946776507	/nfs/dbraw/zinc/77/65/07/946776507.db2.gz	CTKVCTYSQRYQJT-SECBINFHSA-N	-1	1	331.340	-0.049	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573286645	946815005	/nfs/dbraw/zinc/81/50/05/946815005.db2.gz	GXKBVSKLBIXQQP-JTQLQIEISA-N	-1	1	344.379	-0.215	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573286645	946815017	/nfs/dbraw/zinc/81/50/17/946815017.db2.gz	GXKBVSKLBIXQQP-JTQLQIEISA-N	-1	1	344.379	-0.215	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573286805	946820975	/nfs/dbraw/zinc/82/09/75/946820975.db2.gz	ITVWBCFLUHGUFG-GARJFASQSA-N	-1	1	342.363	-0.246	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573286805	946820991	/nfs/dbraw/zinc/82/09/91/946820991.db2.gz	ITVWBCFLUHGUFG-GARJFASQSA-N	-1	1	342.363	-0.246	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573287318	946832184	/nfs/dbraw/zinc/83/21/84/946832184.db2.gz	MYTFQYTXFUIFBG-MNOVXSKESA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573287318	946832195	/nfs/dbraw/zinc/83/21/95/946832195.db2.gz	MYTFQYTXFUIFBG-MNOVXSKESA-N	-1	1	344.379	-0.141	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573561518	946964593	/nfs/dbraw/zinc/96/45/93/946964593.db2.gz	LQSOURGUWNUTHN-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573561518	946964600	/nfs/dbraw/zinc/96/46/00/946964600.db2.gz	LQSOURGUWNUTHN-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573562282	946972756	/nfs/dbraw/zinc/97/27/56/946972756.db2.gz	RVMGBDXIDLCNAN-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573562282	946972764	/nfs/dbraw/zinc/97/27/64/946972764.db2.gz	RVMGBDXIDLCNAN-VIFPVBQESA-N	-1	1	331.340	-0.951	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573563052	946983009	/nfs/dbraw/zinc/98/30/09/946983009.db2.gz	ZMZUWBKTJHXDCV-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573563052	946983017	/nfs/dbraw/zinc/98/30/17/946983017.db2.gz	ZMZUWBKTJHXDCV-DTWKUNHWSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573563917	946988469	/nfs/dbraw/zinc/98/84/69/946988469.db2.gz	CYGYTTGCWHZENH-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573563917	946988473	/nfs/dbraw/zinc/98/84/73/946988473.db2.gz	CYGYTTGCWHZENH-VHSXEESVSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C=C(CO)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC001573294641	946995030	/nfs/dbraw/zinc/99/50/30/946995030.db2.gz	IEWWYMKFEXISRB-UHFFFAOYSA-N	-1	1	345.363	-0.071	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573569554	947073419	/nfs/dbraw/zinc/07/34/19/947073419.db2.gz	BBIRVXPJSDEWJQ-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573569554	947073429	/nfs/dbraw/zinc/07/34/29/947073429.db2.gz	BBIRVXPJSDEWJQ-JBLDHEPKSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573570732	947090554	/nfs/dbraw/zinc/09/05/54/947090554.db2.gz	SPTFLAAHTQCHPU-IVZWLZJFSA-N	-1	1	327.352	-0.503	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1	ZINC001573570845	947095371	/nfs/dbraw/zinc/09/53/71/947095371.db2.gz	VJCIDPKDUOMNJS-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1	ZINC001573570845	947095385	/nfs/dbraw/zinc/09/53/85/947095385.db2.gz	VJCIDPKDUOMNJS-UWVGGRQHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573577146	947162022	/nfs/dbraw/zinc/16/20/22/947162022.db2.gz	MTGNXIKIFDMWKN-PSASIEDQSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
CC(C)[C@H](CNC(=O)[C@@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573577369	947166405	/nfs/dbraw/zinc/16/64/05/947166405.db2.gz	ONDPPYNWCCFPGD-UWVGGRQHSA-N	-1	1	329.368	-0.209	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573582327	947189011	/nfs/dbraw/zinc/18/90/11/947189011.db2.gz	CVRNUDCFYYNKGN-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573583572	947205441	/nfs/dbraw/zinc/20/54/41/947205441.db2.gz	MYWPFXLYDZIQNU-UWVGGRQHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573583572	947205448	/nfs/dbraw/zinc/20/54/48/947205448.db2.gz	MYWPFXLYDZIQNU-UWVGGRQHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1	ZINC001573583727	947208952	/nfs/dbraw/zinc/20/89/52/947208952.db2.gz	OEAHYYKDIOVACC-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C	ZINC001573586044	947272837	/nfs/dbraw/zinc/27/28/37/947272837.db2.gz	XZMYVKYCICGRGT-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C	ZINC001573586044	947272849	/nfs/dbraw/zinc/27/28/49/947272849.db2.gz	XZMYVKYCICGRGT-AEJSXWLSSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573343355	947557364	/nfs/dbraw/zinc/55/73/64/947557364.db2.gz	NHNBRBIOSOZKGD-SNVBAGLBSA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573343355	947557369	/nfs/dbraw/zinc/55/73/69/947557369.db2.gz	NHNBRBIOSOZKGD-SNVBAGLBSA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C=CCOCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573343822	947565065	/nfs/dbraw/zinc/56/50/65/947565065.db2.gz	SXKZWIRQUPNASR-LLVKDONJSA-N	-1	1	344.379	-0.316	20	30		EBEDMM
C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573343996	947566740	/nfs/dbraw/zinc/56/67/40/947566740.db2.gz	VWRQFJJZNOCHRK-AOOOYVTPSA-N	-1	1	330.352	-0.660	20	30		EBEDMM
C[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1	ZINC001573654458	947966492	/nfs/dbraw/zinc/96/64/92/947966492.db2.gz	RDBPHSHISSLSSB-PHDIDXHHSA-N	-1	1	329.246	-0.020	20	30		EBEDMM
C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001570935641	948990459	/nfs/dbraw/zinc/99/04/59/948990459.db2.gz	UUQCXYHJVXAFPC-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001570935641	948990469	/nfs/dbraw/zinc/99/04/69/948990469.db2.gz	UUQCXYHJVXAFPC-HTQZYQBOSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001574982816	950184577	/nfs/dbraw/zinc/18/45/77/950184577.db2.gz	HMLLRHXUHSBAEP-QMMMGPOBSA-N	-1	1	338.335	-0.491	20	30		EBEDMM
C#CCNC(=O)CN1CCC(C)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588484109	983522813	/nfs/dbraw/zinc/52/28/13/983522813.db2.gz	QJMRGEIEHADVBV-QWHCGFSZSA-N	-1	1	335.404	-0.325	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@](O)(C(=O)[O-])C2)CC1	ZINC001590949336	991006300	/nfs/dbraw/zinc/00/63/00/991006300.db2.gz	PEDNJSRPJMPOJF-BBRMVZONSA-N	-1	1	338.408	-0.800	20	30		EBEDMM
CN1CC[C@](O)(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001598585901	993382329	/nfs/dbraw/zinc/38/23/29/993382329.db2.gz	KLDPCQJHSRTDPZ-AWEZNQCLSA-N	-1	1	339.373	-0.399	20	30		EBEDMM
COC(=O)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001598818187	996293905	/nfs/dbraw/zinc/29/39/05/996293905.db2.gz	AHPVHQRRFBRHBM-KGLIPLIRSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001483069283	1126328788	/nfs/dbraw/zinc/32/87/88/1126328788.db2.gz	QKBUOASAPOTZJE-IXHFBFRBSA-N	-1	1	335.408	-0.148	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001485403592	1126701970	/nfs/dbraw/zinc/70/19/70/1126701970.db2.gz	HTUATMIKFPOPFI-GFCCVEGCSA-N	-1	1	348.403	-0.356	20	30		EBEDMM
O=C(C#CC1CC1)NCC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001356810647	1130950484	/nfs/dbraw/zinc/95/04/84/1130950484.db2.gz	OMOSKHOPOKIPJG-UHFFFAOYSA-N	-1	1	340.343	-0.981	20	30		EBEDMM
COCCN1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)C1	ZINC001363012509	1131745856	/nfs/dbraw/zinc/74/58/56/1131745856.db2.gz	NETOSLVBNJDQLK-UHFFFAOYSA-N	-1	1	349.391	-0.610	20	30		EBEDMM
N#Cc1cn(CC(=O)N[C@H]2CCCN3CCSC[C@@H]23)c(=O)[n-]c1=O	ZINC001363603238	1132030397	/nfs/dbraw/zinc/03/03/97/1132030397.db2.gz	LBBKRIRDQQTFON-RYUDHWBXSA-N	-1	1	349.416	-0.483	20	30		EBEDMM
CCOC(=O)N1C[C@H](CO)[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC001365746522	1132789168	/nfs/dbraw/zinc/78/91/68/1132789168.db2.gz	GBAWORIBJQLETN-MWLCHTKSSA-N	-1	1	343.361	-0.121	20	30		EBEDMM
CN(C)C(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286853729	376343531	/nfs/dbraw/zinc/34/35/31/376343531.db2.gz	LETWPWPGIFEOLC-UHFFFAOYSA-N	-1	1	340.405	-0.018	20	30		EBEDMM
C=CCOC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600665886	376479095	/nfs/dbraw/zinc/47/90/95/376479095.db2.gz	ZNQHHZRYTVUHFL-SSDOTTSWSA-N	-1	1	334.310	-0.738	20	30		EBEDMM
CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000594823229	377960641	/nfs/dbraw/zinc/96/06/41/377960641.db2.gz	STGXICKPQFJUSH-GHMZBOCLSA-N	-1	1	336.435	-0.198	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000563226846	378784276	/nfs/dbraw/zinc/78/42/76/378784276.db2.gz	QGJAGYIWEAYFGE-NSHDSACASA-N	-1	1	345.381	-0.898	20	30		EBEDMM
C#CCN(CC#CC)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000491275750	379592897	/nfs/dbraw/zinc/59/28/97/379592897.db2.gz	FYGSDFLICGUAAT-UHFFFAOYSA-N	-1	1	337.357	-0.858	20	30		EBEDMM
O=C(OCc1ccccc1)N1CCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000496487057	379730999	/nfs/dbraw/zinc/73/09/99/379730999.db2.gz	QIFXWAPTFOJKHG-UHFFFAOYSA-N	-1	1	329.316	-0.013	20	30		EBEDMM
C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(=O)OC	ZINC000360722090	380264737	/nfs/dbraw/zinc/26/47/37/380264737.db2.gz	MXUAUGTULSNWNO-VIFPVBQESA-N	-1	1	346.361	-0.338	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000294756911	380512859	/nfs/dbraw/zinc/51/28/59/380512859.db2.gz	XZGYMJPKDYMKIW-VIFPVBQESA-N	-1	1	328.398	-0.386	20	30		EBEDMM
C=CCn1cc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)nn1	ZINC000424906694	380923798	/nfs/dbraw/zinc/92/37/98/380923798.db2.gz	GHUDRUVERCINSX-UHFFFAOYSA-N	-1	1	325.350	-0.105	20	30		EBEDMM
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1	ZINC000349506918	381144733	/nfs/dbraw/zinc/14/47/33/381144733.db2.gz	URHBNZPWBKOIIE-UHFFFAOYSA-N	-1	1	344.418	-0.001	20	30		EBEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000272883749	381731552	/nfs/dbraw/zinc/73/15/52/381731552.db2.gz	WHFLFBDQAPXKBX-UHFFFAOYSA-N	-1	1	327.815	-0.047	20	30		EBEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000272893539	381733759	/nfs/dbraw/zinc/73/37/59/381733759.db2.gz	YJUWJGFIYNRKPC-UHFFFAOYSA-N	-1	1	337.375	-0.055	20	30		EBEDMM
C#CCCN1CCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1	ZINC000270036285	381723068	/nfs/dbraw/zinc/72/30/68/381723068.db2.gz	ITGQQDHJTCQYMP-UHFFFAOYSA-N	-1	1	325.390	-0.031	20	30		EBEDMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C1=O	ZINC000330477496	155273721	/nfs/dbraw/zinc/27/37/21/155273721.db2.gz	LXHSCPVNIXATES-LLVKDONJSA-N	-1	1	325.321	-0.126	20	30		EBEDMM
CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000344765337	156261768	/nfs/dbraw/zinc/26/17/68/156261768.db2.gz	HCPUBQQPHPAMTO-UHFFFAOYSA-N	-1	1	333.391	-0.289	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1	ZINC000737710117	582677256	/nfs/dbraw/zinc/67/72/56/582677256.db2.gz	REYYYRXSKXNDPP-UHFFFAOYSA-N	-1	1	337.303	-0.413	20	30		EBEDMM
N#Cc1ccc(OCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1	ZINC000807992314	583665043	/nfs/dbraw/zinc/66/50/43/583665043.db2.gz	CWGPTUUWCHPWCH-UHFFFAOYSA-N	-1	1	328.332	-0.040	20	30		EBEDMM
N#CCNC(=O)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000812369054	583695451	/nfs/dbraw/zinc/69/54/51/583695451.db2.gz	FAFRVGBWMALGOV-VIFPVBQESA-N	-1	1	349.313	-0.274	20	30		EBEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000819823151	583761739	/nfs/dbraw/zinc/76/17/39/583761739.db2.gz	SJIBHVXUJLTWNL-XJKSGUPXSA-N	-1	1	338.408	-0.486	20	30		EBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C#N	ZINC000821564252	583793193	/nfs/dbraw/zinc/79/31/93/583793193.db2.gz	ZKQANJPCCRMCNB-UHFFFAOYSA-N	-1	1	339.340	-0.271	20	30		EBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C#N	ZINC000821564252	583793195	/nfs/dbraw/zinc/79/31/95/583793195.db2.gz	ZKQANJPCCRMCNB-UHFFFAOYSA-N	-1	1	339.340	-0.271	20	30		EBEDMM
N#C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1	ZINC000822801789	583817898	/nfs/dbraw/zinc/81/78/98/583817898.db2.gz	OOZUJTNDTULONP-SNVBAGLBSA-N	-1	1	327.283	-0.022	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCC#N	ZINC000825929561	583870904	/nfs/dbraw/zinc/87/09/04/583870904.db2.gz	IETRBFPEEMQUEE-UHFFFAOYSA-N	-1	1	335.397	-0.180	20	30		EBEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCC#N	ZINC000825929561	583870905	/nfs/dbraw/zinc/87/09/05/583870905.db2.gz	IETRBFPEEMQUEE-UHFFFAOYSA-N	-1	1	335.397	-0.180	20	30		EBEDMM
Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCCC#N)c1C	ZINC000349590414	650005138	/nfs/dbraw/zinc/00/51/38/650005138.db2.gz	JQXFUXHYZJPMEM-UHFFFAOYSA-N	-1	1	349.438	-0.009	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ncccc3[O-])CC2)C1	ZINC000967208559	724835239	/nfs/dbraw/zinc/83/52/39/724835239.db2.gz	HKPYGOLMTZKZGT-GFCCVEGCSA-N	-1	1	343.387	-0.085	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC000958368961	722353277	/nfs/dbraw/zinc/35/32/77/722353277.db2.gz	FJPNWMSEIVBFID-UONOGXRCSA-N	-1	1	349.435	-0.236	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C	ZINC000958367980	722353349	/nfs/dbraw/zinc/35/33/49/722353349.db2.gz	HQSNISDYFPTMBL-DJLDLDEBSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
C=C1CCC(C(=O)NC[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC000958368960	722353360	/nfs/dbraw/zinc/35/33/60/722353360.db2.gz	FJPNWMSEIVBFID-KGLIPLIRSA-N	-1	1	349.435	-0.236	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000958367955	722353380	/nfs/dbraw/zinc/35/33/80/722353380.db2.gz	GVKFIHJOIFBCKK-FXPVBKGRSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1	ZINC000963250690	723396838	/nfs/dbraw/zinc/39/68/38/723396838.db2.gz	RQFWIEGQORLDKC-AXTRIDKLSA-N	-1	1	345.359	-0.479	20	30		EBEDMM
C=CCCn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC000970223777	725264430	/nfs/dbraw/zinc/26/44/30/725264430.db2.gz	AMJOXNQTRQVMGB-SNVBAGLBSA-N	-1	1	332.368	-0.318	20	30		EBEDMM
N#Cc1cnc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)cn1	ZINC001051682044	735320107	/nfs/dbraw/zinc/32/01/07/735320107.db2.gz	KYKPYEYNRPWEEN-AAEUAGOBSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996403938	726387824	/nfs/dbraw/zinc/38/78/24/726387824.db2.gz	DEWFNNLQXAPHOM-UHFFFAOYSA-N	-1	1	330.348	-0.430	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001009255796	726881934	/nfs/dbraw/zinc/88/19/34/726881934.db2.gz	WLOCJPZABALRHI-CYBMUJFWSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC001017487363	728580448	/nfs/dbraw/zinc/58/04/48/728580448.db2.gz	IDWQVKHIPCGOID-TXEJJXNPSA-N	-1	1	341.375	-0.203	20	30		EBEDMM
N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001021717294	729334916	/nfs/dbraw/zinc/33/49/16/729334916.db2.gz	ORTLPCUFWNUCKX-AAEUAGOBSA-N	-1	1	341.375	-0.132	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001023493866	729704451	/nfs/dbraw/zinc/70/44/51/729704451.db2.gz	PEZKRBLXBABADI-OXHZDVMGSA-N	-1	1	347.371	-0.320	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@H]2C1	ZINC001026397885	730142969	/nfs/dbraw/zinc/14/29/69/730142969.db2.gz	QQKJPWDGVCRYDH-LPEHRKFASA-N	-1	1	333.348	-0.140	20	30		EBEDMM
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031077274	730671389	/nfs/dbraw/zinc/67/13/89/730671389.db2.gz	LSADBCAFFGPNNQ-JSGCOSHPSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=CCn1cccc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031731208	730758329	/nfs/dbraw/zinc/75/83/29/730758329.db2.gz	OSVVDHYDLPLSKX-UHFFFAOYSA-N	-1	1	330.392	-0.042	20	30		EBEDMM
N#CCN1CCC[C@@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC001040493942	731757775	/nfs/dbraw/zinc/75/77/75/731757775.db2.gz	RGPCZESQMAGCFC-MRXNPFEDSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC001040995426	731955042	/nfs/dbraw/zinc/95/50/42/731955042.db2.gz	IAVTZWYOKGKHQM-MWLCHTKSSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
N#CCN1CC[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC001042270214	732384297	/nfs/dbraw/zinc/38/42/97/732384297.db2.gz	NBNDHWRYGKPRNJ-STQMWFEESA-N	-1	1	331.376	-0.627	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043040028	732725239	/nfs/dbraw/zinc/72/52/39/732725239.db2.gz	MTCYRMQJONNDKI-NSHDSACASA-N	-1	1	333.344	-0.871	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001046222544	733885770	/nfs/dbraw/zinc/88/57/70/733885770.db2.gz	BTSYOXYYXSIDBU-HNNXBMFYSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
N#CCN1C[C@@H]2CCCN(C(=O)c3cc(=O)n4[n-]cnc4n3)[C@@H]2C1	ZINC001050182772	734863243	/nfs/dbraw/zinc/86/32/43/734863243.db2.gz	BCZVMPHYQZCANT-CMPLNLGQSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
C=C(C)CCN1CCOC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051209686	735100175	/nfs/dbraw/zinc/10/01/75/735100175.db2.gz	MAQVGVHXUURBNK-GFCCVEGCSA-N	-1	1	346.391	-0.186	20	30		EBEDMM
C=CCCN1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)O2	ZINC001053627049	735949260	/nfs/dbraw/zinc/94/92/60/735949260.db2.gz	LVNZCKQWFKYLKZ-JTQLQIEISA-N	-1	1	335.364	-0.178	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2ncccc2[O-])c1	ZINC001057291994	737146570	/nfs/dbraw/zinc/14/65/70/737146570.db2.gz	YQJKJSQFSHANLW-UHFFFAOYSA-N	-1	1	343.343	-0.149	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057583251	737342763	/nfs/dbraw/zinc/34/27/63/737342763.db2.gz	LEJYTNPLDUMTGO-GFCCVEGCSA-N	-1	1	335.360	-0.624	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001057622339	737364731	/nfs/dbraw/zinc/36/47/31/737364731.db2.gz	FBZKXGFPSYHOGQ-JTQLQIEISA-N	-1	1	347.375	-0.230	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001067828015	740222297	/nfs/dbraw/zinc/22/22/97/740222297.db2.gz	CPVIIDVQNDQCIY-JTQLQIEISA-N	-1	1	345.363	-0.502	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C	ZINC001071953073	741263864	/nfs/dbraw/zinc/26/38/64/741263864.db2.gz	UTAVBNDEEISHKJ-RYUDHWBXSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001078382598	743615940	/nfs/dbraw/zinc/61/59/40/743615940.db2.gz	CEUUSQVEADLCGR-NSHDSACASA-N	-1	1	345.363	-0.269	20	30		EBEDMM
Cn1[n-]c(CN2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)nc1=O	ZINC000980991511	806053134	/nfs/dbraw/zinc/05/31/34/806053134.db2.gz	NOFCGMHAPMELAG-UHFFFAOYSA-N	-1	1	329.364	-0.344	20	30		EBEDMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1	ZINC000979284001	805260907	/nfs/dbraw/zinc/26/09/07/805260907.db2.gz	APNFHBJCNZKLTP-CABZTGNLSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
Cn1[n-]c(CN2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O	ZINC001002639046	809755983	/nfs/dbraw/zinc/75/59/83/809755983.db2.gz	LGOWQTNCWHDAPU-UHFFFAOYSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)Cc1ccccc1C#N	ZINC001220104864	810983123	/nfs/dbraw/zinc/98/31/23/810983123.db2.gz	ONFHXPDGDXDGBD-STQMWFEESA-N	-1	1	333.344	-0.049	20	30		EBEDMM
C=CCOCCN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001220501083	811127608	/nfs/dbraw/zinc/12/76/08/811127608.db2.gz	SEWOQQHUBKPHJV-OLZOCXBDSA-N	-1	1	347.375	-1.000	20	30		EBEDMM
CC#C[C@@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227476666	811924944	/nfs/dbraw/zinc/92/49/44/811924944.db2.gz	VHCQIWXYSNFUEF-ZCFIWIBFSA-N	-1	1	347.287	-0.493	20	30		EBEDMM
CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001080413405	812019872	/nfs/dbraw/zinc/01/98/72/812019872.db2.gz	XTRFPTVPHQNMFB-VIFPVBQESA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C#CCOC[C@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001251857634	812638020	/nfs/dbraw/zinc/63/80/20/812638020.db2.gz	HNNGVNLZSVVKJM-CQSZACIVSA-N	-1	1	334.438	-0.717	20	30		EBEDMM
C=CCOC[C@@H](O)CN[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)C[C@H]1C=C	ZINC001252493598	812658407	/nfs/dbraw/zinc/65/84/07/812658407.db2.gz	QTDNDRFSCODQJG-TYNCELHUSA-N	-1	1	344.433	-0.307	20	30		EBEDMM
CC#CCN(CCO)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001264076433	813146474	/nfs/dbraw/zinc/14/64/74/813146474.db2.gz	DFAQIINOTNKJCT-NSHDSACASA-N	-1	1	335.364	-0.795	20	30		EBEDMM
C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081569764	813204526	/nfs/dbraw/zinc/20/45/26/813204526.db2.gz	SYYXQOHGIZZGGX-TZMCWYRMSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001268752260	814378336	/nfs/dbraw/zinc/37/83/36/814378336.db2.gz	YGEVHCJPGFUFFM-LLVKDONJSA-N	-1	1	348.411	-0.474	20	30		EBEDMM
COCC#CCN1CC[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001269331002	814640906	/nfs/dbraw/zinc/64/09/06/814640906.db2.gz	HONHJIAJZLOYEN-JTQLQIEISA-N	-1	1	336.348	-0.650	20	30		EBEDMM
N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)Cc2nn[n-]n2)C3)C1	ZINC001270788631	815892677	/nfs/dbraw/zinc/89/26/77/815892677.db2.gz	ICXCGMJLLUEDAK-JJLQDPRZSA-N	-1	1	343.391	-0.401	20	30		EBEDMM
CC#CC[N@H+]1CC[C@](O)(CNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1	ZINC001271168363	816014043	/nfs/dbraw/zinc/01/40/43/816014043.db2.gz	ZQXONLSAHXRRBK-SFHVURJKSA-N	-1	1	348.447	-0.049	20	30		EBEDMM
C=CCN1CC[C@H](N2CC(O)(CNC(=O)c3ncccc3[O-])C2)C1=O	ZINC001271276369	816057977	/nfs/dbraw/zinc/05/79/77/816057977.db2.gz	PLBFAJDPLDOGMA-LBPRGKRZSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001085861633	816165311	/nfs/dbraw/zinc/16/53/11/816165311.db2.gz	CEGVOBXJIMDRGG-NSHDSACASA-N	-1	1	346.395	-0.768	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001086971414	816426837	/nfs/dbraw/zinc/42/68/37/816426837.db2.gz	NBTZZERFCLGABP-ADEWGFFLSA-N	-1	1	344.379	-0.512	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001088868198	816758282	/nfs/dbraw/zinc/75/82/82/816758282.db2.gz	QBLAWYVPULYCIK-NDBYEHHHSA-N	-1	1	335.408	-0.222	20	30		EBEDMM
C=CCOCC(=O)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001274502172	816985605	/nfs/dbraw/zinc/98/56/05/816985605.db2.gz	RODXRZISMXJTOR-UHFFFAOYSA-N	-1	1	325.369	-0.844	20	30		EBEDMM
COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC001274634465	817049242	/nfs/dbraw/zinc/04/92/42/817049242.db2.gz	QEHIKAXTNMYECK-GHMZBOCLSA-N	-1	1	335.364	-0.485	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC001276539911	817420190	/nfs/dbraw/zinc/42/01/90/817420190.db2.gz	HLKTXQJYSPHPTI-QGZVFWFLSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
N#Cc1cncc(NCCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001094498913	818275998	/nfs/dbraw/zinc/27/59/98/818275998.db2.gz	DWTHPEQATOMBEM-UHFFFAOYSA-N	-1	1	343.347	-0.793	20	30		EBEDMM
C#CCCCCC(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001282514703	818446132	/nfs/dbraw/zinc/44/61/32/818446132.db2.gz	SZEAFULFDCXDGH-UHFFFAOYSA-N	-1	1	335.408	-0.645	20	30		EBEDMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)nc1=O	ZINC001096971705	818915895	/nfs/dbraw/zinc/91/58/95/818915895.db2.gz	VNNTTZBGMRDKSP-RTXFEEFZSA-N	-1	1	341.375	-0.157	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283885042	819019077	/nfs/dbraw/zinc/01/90/77/819019077.db2.gz	BOGWGJGPHFEFNU-LBPRGKRZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001284493088	819255343	/nfs/dbraw/zinc/25/53/43/819255343.db2.gz	RQZZBZVYMASGMY-GFCCVEGCSA-N	-1	1	336.392	-0.546	20	30		EBEDMM
C=C[C@H](CC)CC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001284935696	819418562	/nfs/dbraw/zinc/41/85/62/819418562.db2.gz	YWXGVHKPSZSESC-SNVBAGLBSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001099786196	819697306	/nfs/dbraw/zinc/69/73/06/819697306.db2.gz	MSSXZFCZVHYRSH-DGCLKSJQSA-N	-1	1	334.376	-0.746	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC001287914073	820193793	/nfs/dbraw/zinc/19/37/93/820193793.db2.gz	YYGFYVBHAAUUCY-QWHCGFSZSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C=CCCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC001287914074	820193991	/nfs/dbraw/zinc/19/39/91/820193991.db2.gz	YYGFYVBHAAUUCY-STQMWFEESA-N	-1	1	348.403	-0.002	20	30		EBEDMM
CN(CCNc1ccc(C#N)nc1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686826	820879111	/nfs/dbraw/zinc/87/91/11/820879111.db2.gz	MEQQKROBFDXRGV-UHFFFAOYSA-N	-1	1	342.359	-0.236	20	30		EBEDMM
CN(CCNc1cnc(C#N)cn1)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699081	820884538	/nfs/dbraw/zinc/88/45/38/820884538.db2.gz	IIUMQOVWBSGKGA-UHFFFAOYSA-N	-1	1	339.319	-0.737	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)NC(=O)C#CC1CC1	ZINC001295573555	821127063	/nfs/dbraw/zinc/12/70/63/821127063.db2.gz	LBAUOVJBIPNLQV-MRVPVSSYSA-N	-1	1	334.332	-0.456	20	30		EBEDMM
C=CC[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OCC	ZINC001309390698	821777459	/nfs/dbraw/zinc/77/74/59/821777459.db2.gz	LODIDDSMOYDLKM-JTQLQIEISA-N	-1	1	342.439	-0.695	20	30		EBEDMM
C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001316877373	821903795	/nfs/dbraw/zinc/90/37/95/821903795.db2.gz	FGBKTEQQWCMRBH-OLZOCXBDSA-N	-1	1	333.392	-0.191	20	30		EBEDMM
N#Cc1ccc(N2C[C@@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)cc1	ZINC001318042024	822248926	/nfs/dbraw/zinc/24/89/26/822248926.db2.gz	UUOOWHGLZQOGAR-JTQLQIEISA-N	-1	1	327.300	-0.506	20	30		EBEDMM
C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001107836845	823993949	/nfs/dbraw/zinc/99/39/49/823993949.db2.gz	AJSBKJXXBZACEI-SNVBAGLBSA-N	-1	1	343.347	-0.795	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1ccncc1C#N	ZINC001108461555	824295554	/nfs/dbraw/zinc/29/55/54/824295554.db2.gz	XNKUEPQUJFMXHP-QMMMGPOBSA-N	-1	1	344.331	-0.185	20	30		EBEDMM
N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001111065808	824893789	/nfs/dbraw/zinc/89/37/89/824893789.db2.gz	IOKDZAGNSYCGIU-INIZCTEOSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
CN(C)C1(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1	ZINC001182601753	833247792	/nfs/dbraw/zinc/24/77/92/833247792.db2.gz	MTMJKKAJXQDVGT-SECBINFHSA-N	-1	1	341.370	-0.377	20	30		EBEDMM
CN(C[C@@H](O)CNc1ccnc(C#N)n1)C(=O)c1ncccc1[O-]	ZINC001124329483	827816237	/nfs/dbraw/zinc/81/62/37/827816237.db2.gz	KGZXZMPSHVCNDU-JTQLQIEISA-N	-1	1	328.332	-0.584	20	30		EBEDMM
N#Cc1ccc(F)c(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC001130862938	828978956	/nfs/dbraw/zinc/97/89/56/828978956.db2.gz	KAIPAEJKHMVLBU-UHFFFAOYSA-N	-1	1	332.295	-0.187	20	30		EBEDMM
CN1CC(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C1	ZINC001142605381	830133205	/nfs/dbraw/zinc/13/32/05/830133205.db2.gz	ZBLOYKOYUDQPCU-VIFPVBQESA-N	-1	1	327.343	-0.909	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149640000	830718990	/nfs/dbraw/zinc/71/89/90/830718990.db2.gz	PFKKTVZIYIXUOF-CYBMUJFWSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C=CCN1CCCO[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001149936356	830784895	/nfs/dbraw/zinc/78/48/95/830784895.db2.gz	CPFANFRKSUFGFS-LLVKDONJSA-N	-1	1	337.380	-0.392	20	30		EBEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)OC	ZINC001212123744	837549713	/nfs/dbraw/zinc/54/97/13/837549713.db2.gz	WAWVNIRCAXDCHU-MRVPVSSYSA-N	-1	1	330.322	-0.346	20	30		EBEDMM
C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001176955717	832718477	/nfs/dbraw/zinc/71/84/77/832718477.db2.gz	XZMOITLNCFKYJS-QWHCGFSZSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1cncc(N2CCOCC2)c1	ZINC001199270295	835785740	/nfs/dbraw/zinc/78/57/40/835785740.db2.gz	JSSNRUYGKJFINO-UHFFFAOYSA-N	-1	1	333.308	-0.260	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200377034	835957603	/nfs/dbraw/zinc/95/76/03/835957603.db2.gz	AXVQDUHMXUAIHO-IAQYHMDHSA-N	-1	1	339.396	-0.456	20	30		EBEDMM
C=C(Cl)CNC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCCO1	ZINC001200894607	836063689	/nfs/dbraw/zinc/06/36/89/836063689.db2.gz	NKCCAJUTLZKLHZ-VIFPVBQESA-N	-1	1	343.771	-0.144	20	30		EBEDMM
C#CC[C@H](CO)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC001324340896	839633124	/nfs/dbraw/zinc/63/31/24/839633124.db2.gz	QTWKTNCCQSTMGY-CYBMUJFWSA-N	-1	1	348.403	-0.240	20	30		EBEDMM
C#CC[C@@H](CO)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O	ZINC001324340897	839633304	/nfs/dbraw/zinc/63/33/04/839633304.db2.gz	QTWKTNCCQSTMGY-ZDUSSCGKSA-N	-1	1	348.403	-0.240	20	30		EBEDMM
COCC#CCN1CCC[C@@](C)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001324944222	839739980	/nfs/dbraw/zinc/73/99/80/839739980.db2.gz	PFXCDIOWJRIUJA-INIZCTEOSA-N	-1	1	349.391	-0.236	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1	ZINC001325898271	839970102	/nfs/dbraw/zinc/97/01/02/839970102.db2.gz	HWMBQZQDVBHJMJ-RDBSUJKOSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001343315560	843220232	/nfs/dbraw/zinc/22/02/32/843220232.db2.gz	ZYIMOWUHXXHIBU-XAGWURHQSA-N	-1	1	335.360	-0.584	20	30		EBEDMM
C=CCCC(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001344221171	843303564	/nfs/dbraw/zinc/30/35/64/843303564.db2.gz	ZBVDUUYCXROOCI-BETUJISGSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(Cc2nnn[n-]2)n1C[C@H]1CCOC1	ZINC001345351052	843388675	/nfs/dbraw/zinc/38/86/75/843388675.db2.gz	ZYRMCLHRICUAEU-CYBMUJFWSA-N	-1	1	340.391	-0.119	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(Cc2nn[n-]n2)n1C[C@H]1CCOC1	ZINC001345351052	843388678	/nfs/dbraw/zinc/38/86/78/843388678.db2.gz	ZYRMCLHRICUAEU-CYBMUJFWSA-N	-1	1	340.391	-0.119	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)cn1	ZINC001573288146	946858929	/nfs/dbraw/zinc/85/89/29/946858929.db2.gz	OXJYUVMGYKGMCY-UHFFFAOYSA-N	-1	1	349.358	-0.101	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)cn1	ZINC001573288146	946858943	/nfs/dbraw/zinc/85/89/43/946858943.db2.gz	OXJYUVMGYKGMCY-UHFFFAOYSA-N	-1	1	349.358	-0.101	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560810	946955705	/nfs/dbraw/zinc/95/57/05/946955705.db2.gz	GIRVVCZGLJTPAW-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560810	946955715	/nfs/dbraw/zinc/95/57/15/946955715.db2.gz	GIRVVCZGLJTPAW-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573563921	946987298	/nfs/dbraw/zinc/98/72/98/946987298.db2.gz	CYGYTTGCWHZENH-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573563921	946987306	/nfs/dbraw/zinc/98/73/06/946987306.db2.gz	CYGYTTGCWHZENH-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573563915	946987713	/nfs/dbraw/zinc/98/77/13/946987713.db2.gz	CYGYTTGCWHZENH-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573563915	946987722	/nfs/dbraw/zinc/98/77/22/946987722.db2.gz	CYGYTTGCWHZENH-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573567598	947049608	/nfs/dbraw/zinc/04/96/08/947049608.db2.gz	PHKYLOMFUPNGMO-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573567598	947049623	/nfs/dbraw/zinc/04/96/23/947049623.db2.gz	PHKYLOMFUPNGMO-JTQLQIEISA-N	-1	1	327.352	-0.145	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1	ZINC001573569511	947069569	/nfs/dbraw/zinc/06/95/69/947069569.db2.gz	AAYQLWOMSRALLH-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1	ZINC001573569511	947069582	/nfs/dbraw/zinc/06/95/82/947069582.db2.gz	AAYQLWOMSRALLH-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1	ZINC001573569653	947076158	/nfs/dbraw/zinc/07/61/58/947076158.db2.gz	CWEQKAMKKFBXNP-MXWKQRLJSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1	ZINC001573569653	947076170	/nfs/dbraw/zinc/07/61/70/947076170.db2.gz	CWEQKAMKKFBXNP-MXWKQRLJSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573569969	947081284	/nfs/dbraw/zinc/08/12/84/947081284.db2.gz	HTOLREFXHKGDIT-OUAUKWLOSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573569969	947081290	/nfs/dbraw/zinc/08/12/90/947081290.db2.gz	HTOLREFXHKGDIT-OUAUKWLOSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1	ZINC001573570780	947094502	/nfs/dbraw/zinc/09/45/02/947094502.db2.gz	TXMJNQKGBUCTHO-GARJFASQSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1	ZINC001573570780	947094515	/nfs/dbraw/zinc/09/45/15/947094515.db2.gz	TXMJNQKGBUCTHO-GARJFASQSA-N	-1	1	339.363	-0.289	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573571080	947098796	/nfs/dbraw/zinc/09/87/96/947098796.db2.gz	YYAOMZJGMOLCCR-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573571080	947098808	/nfs/dbraw/zinc/09/88/08/947098808.db2.gz	YYAOMZJGMOLCCR-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573624	947124817	/nfs/dbraw/zinc/12/48/17/947124817.db2.gz	OPDSLQHLWIPMBP-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573624	947124821	/nfs/dbraw/zinc/12/48/21/947124821.db2.gz	OPDSLQHLWIPMBP-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573577195	947164364	/nfs/dbraw/zinc/16/43/64/947164364.db2.gz	NFDNMGDUHYBGGE-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573577195	947164370	/nfs/dbraw/zinc/16/43/70/947164370.db2.gz	NFDNMGDUHYBGGE-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573581909	947184433	/nfs/dbraw/zinc/18/44/33/947184433.db2.gz	AFWAUMGSVFWABP-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573581909	947184437	/nfs/dbraw/zinc/18/44/37/947184437.db2.gz	AFWAUMGSVFWABP-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC001573582495	947190889	/nfs/dbraw/zinc/19/08/89/947190889.db2.gz	DXBRJEISHDBHIS-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC001573582495	947190893	/nfs/dbraw/zinc/19/08/93/947190893.db2.gz	DXBRJEISHDBHIS-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309083	947192200	/nfs/dbraw/zinc/19/22/00/947192200.db2.gz	CJWBPZQCGPEPSG-ZUZCIYMTSA-N	-1	1	344.379	-0.582	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573583465	947204754	/nfs/dbraw/zinc/20/47/54/947204754.db2.gz	MGUKXQMJIRBGFJ-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573583465	947204762	/nfs/dbraw/zinc/20/47/62/947204762.db2.gz	MGUKXQMJIRBGFJ-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573583574	947205071	/nfs/dbraw/zinc/20/50/71/947205071.db2.gz	MYWPFXLYDZIQNU-VHSXEESVSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573583574	947205076	/nfs/dbraw/zinc/20/50/76/947205076.db2.gz	MYWPFXLYDZIQNU-VHSXEESVSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573584103	947210137	/nfs/dbraw/zinc/21/01/37/947210137.db2.gz	QKOCRJDPNYDRTM-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=CCCCC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1	ZINC001573335052	947470387	/nfs/dbraw/zinc/47/03/87/947470387.db2.gz	VQDVORHOZAFQBH-SNVBAGLBSA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=CCCCC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1	ZINC001573335052	947470393	/nfs/dbraw/zinc/47/03/93/947470393.db2.gz	VQDVORHOZAFQBH-SNVBAGLBSA-N	-1	1	332.368	-0.098	20	30		EBEDMM
CC(=O)N1CC[C@@H](CN(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001573435037	948224389	/nfs/dbraw/zinc/22/43/89/948224389.db2.gz	YKZPTDMHZISYDG-JTQLQIEISA-N	-1	1	327.352	-0.167	20	30		EBEDMM
C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cnc(C#N)n1	ZINC001573730105	948577875	/nfs/dbraw/zinc/57/78/75/948577875.db2.gz	NANHAFNMBPSTBT-LURJTMIESA-N	-1	1	330.337	-0.336	20	30		EBEDMM
C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cnc(C#N)n1	ZINC001573730105	948577878	/nfs/dbraw/zinc/57/78/78/948577878.db2.gz	NANHAFNMBPSTBT-LURJTMIESA-N	-1	1	330.337	-0.336	20	30		EBEDMM
C[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CS1(=O)=O	ZINC001570936068	949011913	/nfs/dbraw/zinc/01/19/13/949011913.db2.gz	XVSMEVZAWAWHHD-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CS1(=O)=O	ZINC001570936068	949011936	/nfs/dbraw/zinc/01/19/36/949011936.db2.gz	XVSMEVZAWAWHHD-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H](CNC(=O)CSCC#N)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001574938107	949236107	/nfs/dbraw/zinc/23/61/07/949236107.db2.gz	SCGCJCNFBPUYAR-MRVPVSSYSA-N	-1	1	333.381	-0.170	20	30		EBEDMM
C[C@H](CNC(=O)CSCC#N)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001574938107	949236132	/nfs/dbraw/zinc/23/61/32/949236132.db2.gz	SCGCJCNFBPUYAR-MRVPVSSYSA-N	-1	1	333.381	-0.170	20	30		EBEDMM
CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001573804011	949461833	/nfs/dbraw/zinc/46/18/33/949461833.db2.gz	ZSMSAPQLZOEWKW-UHFFFAOYSA-N	-1	1	331.340	-0.048	20	30		EBEDMM
C#CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1c(F)cccc1F	ZINC001573318403	958463660	/nfs/dbraw/zinc/46/36/60/958463660.db2.gz	WJBPTHWECYVITL-UHFFFAOYSA-N	-1	1	346.311	-0.211	20	30		EBEDMM
N#CCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605585814	973877914	/nfs/dbraw/zinc/87/79/14/973877914.db2.gz	ISFIXRFRWSLMJQ-IONNQARKSA-N	-1	1	336.270	-0.778	20	30		EBEDMM
C#Cc1cncc(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)c1	ZINC001481185903	1125935598	/nfs/dbraw/zinc/93/55/98/1125935598.db2.gz	LLUOTPDOGORTRC-UHFFFAOYSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
N#CCNCC[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001482460820	1126158446	/nfs/dbraw/zinc/15/84/46/1126158446.db2.gz	GPTYVPJQZYRCSD-CYBMUJFWSA-N	-1	1	333.392	-0.189	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001482660817	1126247351	/nfs/dbraw/zinc/24/73/51/1126247351.db2.gz	FTRBGKPAASVGIL-STQMWFEESA-N	-1	1	333.392	-0.027	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001482660816	1126247485	/nfs/dbraw/zinc/24/74/85/1126247485.db2.gz	FTRBGKPAASVGIL-QWHCGFSZSA-N	-1	1	333.392	-0.027	20	30		EBEDMM
C#CCN(C(=O)[C@H]1CCOC1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001483979761	1126494898	/nfs/dbraw/zinc/49/48/98/1126494898.db2.gz	BFRIKHXMAKKXFB-ZDUSSCGKSA-N	-1	1	347.419	-0.429	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001484675288	1126617781	/nfs/dbraw/zinc/61/77/81/1126617781.db2.gz	WAXFAHGMCLDVBJ-HZMBPMFUSA-N	-1	1	325.369	-0.846	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001484675294	1126617831	/nfs/dbraw/zinc/61/78/31/1126617831.db2.gz	WAXFAHGMCLDVBJ-YGRLFVJLSA-N	-1	1	325.369	-0.846	20	30		EBEDMM
C#CCCCC(=O)NC1(CO)CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001485017040	1126665107	/nfs/dbraw/zinc/66/51/07/1126665107.db2.gz	ACOLCAPSBGVSBG-UHFFFAOYSA-N	-1	1	335.408	-0.645	20	30		EBEDMM
Cc1nn(C)c(N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1C#N	ZINC001362924921	1131715070	/nfs/dbraw/zinc/71/50/70/1131715070.db2.gz	RSLSWYYVRDSECF-UHFFFAOYSA-N	-1	1	329.368	-0.605	20	30		EBEDMM
N#Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)c(=O)[n-]c1=O	ZINC001363081857	1131776167	/nfs/dbraw/zinc/77/61/67/1131776167.db2.gz	QLPOCVSOOBJOND-GHMZBOCLSA-N	-1	1	326.316	-0.269	20	30		EBEDMM
C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000182008786	377488608	/nfs/dbraw/zinc/48/86/08/377488608.db2.gz	GJVUOWRFESKWDD-YGRLFVJLSA-N	-1	1	340.405	-0.165	20	30		EBEDMM
C[N@@H+](CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H]1CCSC1	ZINC000600832001	379228374	/nfs/dbraw/zinc/22/83/74/379228374.db2.gz	HHJJZHICZDSTGJ-NSHDSACASA-N	-1	1	349.416	-0.359	20	30		EBEDMM
CN(CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H]1CCSC1	ZINC000600832001	379228385	/nfs/dbraw/zinc/22/83/85/379228385.db2.gz	HHJJZHICZDSTGJ-NSHDSACASA-N	-1	1	349.416	-0.359	20	30		EBEDMM
C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000361092702	380286075	/nfs/dbraw/zinc/28/60/75/380286075.db2.gz	NTDWCKQAJODXIQ-UHFFFAOYSA-N	-1	1	345.377	-0.682	20	30		EBEDMM
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OC	ZINC000344751390	156261560	/nfs/dbraw/zinc/26/15/60/156261560.db2.gz	HYPGDYKMECFFAG-VIFPVBQESA-N	-1	1	330.318	-0.076	20	30		EBEDMM
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344777374	156263259	/nfs/dbraw/zinc/26/32/59/156263259.db2.gz	UVLYWTHBCKAPLK-BDAKNGLRSA-N	-1	1	343.361	-0.114	20	30		EBEDMM
C=CCC1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOCC1	ZINC000657127488	420918942	/nfs/dbraw/zinc/91/89/42/420918942.db2.gz	INCIUQOXUNIWQS-UHFFFAOYSA-N	-1	1	343.405	-0.512	20	30		EBEDMM
C[C@@H](CN1CCOCC1)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530272995	420925888	/nfs/dbraw/zinc/92/58/88/420925888.db2.gz	XFKVBSNWSGZGBQ-NSHDSACASA-N	-1	1	347.375	-0.828	20	30		EBEDMM
N#Cc1ccc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)nc1	ZINC000727850254	582661479	/nfs/dbraw/zinc/66/14/79/582661479.db2.gz	VLWFRRCDPBSYEI-UHFFFAOYSA-N	-1	1	328.332	-0.578	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000735432207	582894628	/nfs/dbraw/zinc/89/46/28/582894628.db2.gz	OAOVQLBZXZUWHT-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000735432207	582894630	/nfs/dbraw/zinc/89/46/30/582894630.db2.gz	OAOVQLBZXZUWHT-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735431919	582894960	/nfs/dbraw/zinc/89/49/60/582894960.db2.gz	KKHLJJIHVLBAPL-QMMMGPOBSA-N	-1	1	345.319	-0.181	20	30		EBEDMM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735431919	582894962	/nfs/dbraw/zinc/89/49/62/582894962.db2.gz	KKHLJJIHVLBAPL-QMMMGPOBSA-N	-1	1	345.319	-0.181	20	30		EBEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000819823149	583761711	/nfs/dbraw/zinc/76/17/11/583761711.db2.gz	SJIBHVXUJLTWNL-CJNGLKHVSA-N	-1	1	338.408	-0.486	20	30		EBEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000819823150	583761747	/nfs/dbraw/zinc/76/17/47/583761747.db2.gz	SJIBHVXUJLTWNL-CZUORRHYSA-N	-1	1	338.408	-0.486	20	30		EBEDMM
Cc1cc(O)cc(=O)n1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000822210455	583808439	/nfs/dbraw/zinc/80/84/39/583808439.db2.gz	CDKOIFZPEVWDRU-UHFFFAOYSA-N	-1	1	341.291	-0.724	20	30		EBEDMM
COc1cc(C#N)ccc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000826177232	583887001	/nfs/dbraw/zinc/88/70/01/583887001.db2.gz	YSRUUCUPLKVGPI-UHFFFAOYSA-N	-1	1	339.315	-0.344	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000826382959	583895812	/nfs/dbraw/zinc/89/58/12/583895812.db2.gz	COGAYJWTDXWGKC-UHFFFAOYSA-N	-1	1	339.275	-0.010	20	30		EBEDMM
C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N(C)CC(=O)[O-]	ZINC000828500983	583941102	/nfs/dbraw/zinc/94/11/02/583941102.db2.gz	ZSVHGJDWJZWREE-GFCCVEGCSA-N	-1	1	346.391	-0.208	20	30		EBEDMM
C=CCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	ZINC000837046175	584046521	/nfs/dbraw/zinc/04/65/21/584046521.db2.gz	FYSXBDBOXSNSDP-JTQLQIEISA-N	-1	1	339.373	-0.079	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000939398025	652926015	/nfs/dbraw/zinc/92/60/15/652926015.db2.gz	SJVQAQNOLKGZGC-VHSXEESVSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1	ZINC000951866951	654323497	/nfs/dbraw/zinc/32/34/97/654323497.db2.gz	AFBJOXGGDSYHCB-DTWKUNHWSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)c1	ZINC000962120138	723175936	/nfs/dbraw/zinc/17/59/36/723175936.db2.gz	CJPUJYAFIDXHTF-YPMHNXCESA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC000970767569	725326228	/nfs/dbraw/zinc/32/62/28/725326228.db2.gz	RXSYECDEWHWRMY-LLVKDONJSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nc1=O	ZINC000973052573	725625143	/nfs/dbraw/zinc/62/51/43/725625143.db2.gz	RHNVJSFMWMEKIX-LBPRGKRZSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
N#CCN1CC[C@]2(NC(=O)c3cc(=O)n4[n-]cnc4n3)CCC[C@H]12	ZINC000992436596	725796998	/nfs/dbraw/zinc/79/69/98/725796998.db2.gz	WPNKIXLKVWKBQO-XHDPSFHLSA-N	-1	1	327.348	-0.332	20	30		EBEDMM
N#Cc1cncc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001051682290	735320093	/nfs/dbraw/zinc/32/00/93/735320093.db2.gz	OOTPYSRBWFPMNM-WCQYABFASA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC000992861332	725841224	/nfs/dbraw/zinc/84/12/24/725841224.db2.gz	QTHQEXOMEWOZMP-MELADBBJSA-N	-1	1	345.403	-0.333	20	30		EBEDMM
C#Cc1ccc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)cn1	ZINC001003998181	726697435	/nfs/dbraw/zinc/69/74/35/726697435.db2.gz	SLLUKPMSVPRFOI-UHFFFAOYSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC001006451622	726769725	/nfs/dbraw/zinc/76/97/25/726769725.db2.gz	GMLFRPKKZXRIHU-YUMQZZPRSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)cn1	ZINC001051906360	735457242	/nfs/dbraw/zinc/45/72/42/735457242.db2.gz	PNQNBOPEPVGOHO-CYBMUJFWSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001023296012	729659700	/nfs/dbraw/zinc/65/97/00/729659700.db2.gz	MXVDKYKKGKJYHK-NSHDSACASA-N	-1	1	343.391	-0.050	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001023315687	729662665	/nfs/dbraw/zinc/66/26/65/729662665.db2.gz	ZOQMQAZUTUYUHL-LLVKDONJSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)[nH]1	ZINC001023428798	729687298	/nfs/dbraw/zinc/68/72/98/729687298.db2.gz	HITDNOGZWDWKFP-DGCLKSJQSA-N	-1	1	341.327	-0.398	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001029860364	730514186	/nfs/dbraw/zinc/51/41/86/730514186.db2.gz	QPKHOSKGIXXTOL-LLVKDONJSA-N	-1	1	346.395	-0.118	20	30		EBEDMM
C#CCOc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cc1	ZINC001031063851	730670272	/nfs/dbraw/zinc/67/02/72/730670272.db2.gz	AEMZFLXKDKCKGI-UHFFFAOYSA-N	-1	1	341.371	-0.265	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001033599402	731046116	/nfs/dbraw/zinc/04/61/16/731046116.db2.gz	RFIBYLPUCHIALR-AWEZNQCLSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
CC[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@@H]1NCC#N	ZINC001037945193	731274134	/nfs/dbraw/zinc/27/41/34/731274134.db2.gz	JACHZBKQSAMTHB-STQMWFEESA-N	-1	1	333.392	-0.333	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001038943942	731396641	/nfs/dbraw/zinc/39/66/41/731396641.db2.gz	ZQKRPNTVTFXGDE-GFCCVEGCSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
N#CCN1C[C@@H]2CCCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1	ZINC001050164475	734858725	/nfs/dbraw/zinc/85/87/25/734858725.db2.gz	FVEOWYWVMDMDIA-QWHCGFSZSA-N	-1	1	331.376	-0.627	20	30		EBEDMM
C=CCCN1CCOC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051205288	735098141	/nfs/dbraw/zinc/09/81/41/735098141.db2.gz	BWNRUUZIBPBZHV-JTQLQIEISA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C#CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)n3[n-]cnc3n1)O2	ZINC001053686510	735967851	/nfs/dbraw/zinc/96/78/51/735967851.db2.gz	RLIGJPBXWFLJIH-LLVKDONJSA-N	-1	1	342.359	-0.986	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057416627	737236145	/nfs/dbraw/zinc/23/61/45/737236145.db2.gz	FPLRMMUZOVJFQJ-LBPRGKRZSA-N	-1	1	337.376	-0.071	20	30		EBEDMM
C=CC[N@H+]1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1	ZINC001070360017	740796248	/nfs/dbraw/zinc/79/62/48/740796248.db2.gz	GMWGVXXWSWHQSM-UWVGGRQHSA-N	-1	1	332.368	-0.199	20	30		EBEDMM
C#CCNC(=O)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1	ZINC001071936673	741252979	/nfs/dbraw/zinc/25/29/79/741252979.db2.gz	RVZOFYUMFLFJGT-RYUDHWBXSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nc1=O	ZINC001072634249	741447390	/nfs/dbraw/zinc/44/73/90/741447390.db2.gz	VNOZMSNORDUMOA-UHFFFAOYSA-N	-1	1	341.375	-0.344	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001072994576	741538169	/nfs/dbraw/zinc/53/81/69/741538169.db2.gz	HYCRLWNEOUOKCJ-OLZOCXBDSA-N	-1	1	347.419	-0.266	20	30		EBEDMM
CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001077402671	742957112	/nfs/dbraw/zinc/95/71/12/742957112.db2.gz	XNCGLMKKBUFYRY-ZDUSSCGKSA-N	-1	1	348.403	-0.403	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077488323	743012643	/nfs/dbraw/zinc/01/26/43/743012643.db2.gz	LZMGZFGBGOOEAL-BDAKNGLRSA-N	-1	1	331.336	-0.798	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N	ZINC001078132218	743490249	/nfs/dbraw/zinc/49/02/49/743490249.db2.gz	NARYVVXNNXPCJW-YUMQZZPRSA-N	-1	1	337.336	-0.319	20	30		EBEDMM
C=CCn1cc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC000982114149	806401969	/nfs/dbraw/zinc/40/19/69/806401969.db2.gz	UOMWXPIEPXOUOA-UHFFFAOYSA-N	-1	1	346.395	-0.766	20	30		EBEDMM
C#CCCN1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(C)(C)C1	ZINC000977362498	804295370	/nfs/dbraw/zinc/29/53/70/804295370.db2.gz	KSHDZQUBMRVZKU-ZDUSSCGKSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](C)C#N	ZINC000978050849	804633729	/nfs/dbraw/zinc/63/37/29/804633729.db2.gz	HBQKVBFVLOJIGY-BDAKNGLRSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](C)C#N	ZINC000978050851	804633785	/nfs/dbraw/zinc/63/37/85/804633785.db2.gz	HBQKVBFVLOJIGY-DTWKUNHWSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)nn1	ZINC000987137750	807852759	/nfs/dbraw/zinc/85/27/59/807852759.db2.gz	ZMBICFAEANIWPT-NXEZZACHSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991407387	809425275	/nfs/dbraw/zinc/42/52/75/809425275.db2.gz	DXTZCXBFYOAZDZ-OCCSQVGLSA-N	-1	1	329.356	-0.108	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C#CC(C)(C)C)[C@H]3C2)nc1=O	ZINC001217844017	810465212	/nfs/dbraw/zinc/46/52/12/810465212.db2.gz	PEDVKKAMQHQFOO-QWHCGFSZSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015829524	810596021	/nfs/dbraw/zinc/59/60/21/810596021.db2.gz	VPWUCTLGRPPLAQ-DYEKYZERSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=C(C)CN1CCO[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001035572805	810922502	/nfs/dbraw/zinc/92/25/02/810922502.db2.gz	FQFXWQIYDIAWOR-SNVBAGLBSA-N	-1	1	338.364	-0.097	20	30		EBEDMM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc2cnncc21	ZINC001226689380	811878232	/nfs/dbraw/zinc/87/82/32/811878232.db2.gz	AEBHGNDOMZGWGP-QMMMGPOBSA-N	-1	1	342.333	-0.037	20	30		EBEDMM
C=CC[C@@H](C)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227472042	811923504	/nfs/dbraw/zinc/92/35/04/811923504.db2.gz	KEZUELSURKAFDD-RXMQYKEDSA-N	-1	1	335.276	-0.330	20	30		EBEDMM
C#C[C@@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473396	811924115	/nfs/dbraw/zinc/92/41/15/811924115.db2.gz	JYADWMRXQDPMDB-YFKPBYRVSA-N	-1	1	333.260	-0.883	20	30		EBEDMM
CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081425995	812917991	/nfs/dbraw/zinc/91/79/91/812917991.db2.gz	YVQXFDDXPONPJF-OCCSQVGLSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C#CCN1c2ccccc2[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O	ZINC001269575940	814732477	/nfs/dbraw/zinc/73/24/77/814732477.db2.gz	BSUQMJLBWJPDKO-QGZVFWFLSA-N	-1	1	336.355	-0.108	20	30		EBEDMM
C=C(C)CN1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2	ZINC001269578119	814735511	/nfs/dbraw/zinc/73/55/11/814735511.db2.gz	SOHSMXVOTCCVOW-OAHLLOKOSA-N	-1	1	334.380	-0.604	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nc1=O	ZINC001084288862	815881587	/nfs/dbraw/zinc/88/15/87/815881587.db2.gz	DKHYSOHPWMPDOX-ZWNOBZJWSA-N	-1	1	341.375	-0.345	20	30		EBEDMM
C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001271152879	816006490	/nfs/dbraw/zinc/00/64/90/816006490.db2.gz	OQLFHNUQKCXWPH-INIZCTEOSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)CC2)c1[O-]	ZINC001273410659	816668221	/nfs/dbraw/zinc/66/82/21/816668221.db2.gz	NKEMQPFHEOVUGF-NSHDSACASA-N	-1	1	334.380	-0.352	20	30		EBEDMM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)CC2)c1[O-]	ZINC001273410658	816668453	/nfs/dbraw/zinc/66/84/53/816668453.db2.gz	NKEMQPFHEOVUGF-LLVKDONJSA-N	-1	1	334.380	-0.352	20	30		EBEDMM
C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088533606	816697329	/nfs/dbraw/zinc/69/73/29/816697329.db2.gz	ZSPJHOSRDDPYGK-SKDRFNHKSA-N	-1	1	329.364	-0.299	20	30		EBEDMM
N#CCC1CN(C(=O)c2[nH]nc3c2CN(C(=O)c2cc(=O)[nH][n-]2)C3)C1	ZINC001276024637	817343142	/nfs/dbraw/zinc/34/31/42/817343142.db2.gz	CFQKAJHCIJNICV-UHFFFAOYSA-N	-1	1	341.331	-0.020	20	30		EBEDMM
C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC001098058426	819083267	/nfs/dbraw/zinc/08/32/67/819083267.db2.gz	FDVDQZJOJYIMLX-BNOWGMLFSA-N	-1	1	340.387	-0.184	20	30		EBEDMM
N#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001099118081	819420200	/nfs/dbraw/zinc/42/02/00/819420200.db2.gz	GPRVBGHBXPDZEM-BONVTDFDSA-N	-1	1	327.348	-0.475	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-]	ZINC001285046965	819464283	/nfs/dbraw/zinc/46/42/83/819464283.db2.gz	RQYZTMSRJZCQDN-LLVKDONJSA-N	-1	1	332.360	-0.449	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285678714	819722464	/nfs/dbraw/zinc/72/24/64/819722464.db2.gz	JRWNFRINHBKLAM-LLVKDONJSA-N	-1	1	336.392	-0.240	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285829848	819780811	/nfs/dbraw/zinc/78/08/11/819780811.db2.gz	LDIIXGAQAPGYJY-MNOVXSKESA-N	-1	1	335.364	-0.951	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001099899319	819865452	/nfs/dbraw/zinc/86/54/52/819865452.db2.gz	QYCDEXNNPSEPFX-RYUDHWBXSA-N	-1	1	337.380	-0.956	20	30		EBEDMM
CC#CCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099962187	819966143	/nfs/dbraw/zinc/96/61/43/819966143.db2.gz	KYHYENGKZVAMJG-OLZOCXBDSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C#CCNC(=O)CC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001293763355	820822441	/nfs/dbraw/zinc/82/24/41/820822441.db2.gz	QBKMRDCNJNHRHE-UHFFFAOYSA-N	-1	1	344.371	-0.353	20	30		EBEDMM
CC(C)C#CC(=O)NCCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001294057126	820864600	/nfs/dbraw/zinc/86/46/00/820864600.db2.gz	OIHVQRPVMQDLFE-UHFFFAOYSA-N	-1	1	348.403	-0.449	20	30		EBEDMM
C[C@H](C#N)C(=O)NCc1cnn2c1CN(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001128264624	828435381	/nfs/dbraw/zinc/43/53/81/828435381.db2.gz	OSKYIKQXKYEBJV-SNVBAGLBSA-N	-1	1	344.379	-0.903	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1	ZINC001128807331	828532628	/nfs/dbraw/zinc/53/26/28/828532628.db2.gz	PIWDFWCJTLTZQZ-NEPJUHHUSA-N	-1	1	346.395	-0.792	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1ccc(C#N)nn1	ZINC001107855080	823999504	/nfs/dbraw/zinc/99/95/04/823999504.db2.gz	DYTKEBYOZVPFHO-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1cncc(C#N)n1	ZINC001107855004	824000071	/nfs/dbraw/zinc/00/00/71/824000071.db2.gz	ANBBJQFNMNQOHY-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21	ZINC001114066538	826127791	/nfs/dbraw/zinc/12/77/91/826127791.db2.gz	DQCSHVCIDFWOKD-NYMYIZQJSA-N	-1	1	326.360	-0.271	20	30		EBEDMM
C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114108701	826139980	/nfs/dbraw/zinc/13/99/80/826139980.db2.gz	OVSMLJGKLVNSNA-JYAVWHMHSA-N	-1	1	335.408	-0.362	20	30		EBEDMM
N=C(c1ccccc1N)N([O-])C(=O)CN1CCS(=O)(=O)CC1	ZINC001180594210	833094606	/nfs/dbraw/zinc/09/46/06/833094606.db2.gz	BJTSJYIXRFXFRE-UHFFFAOYSA-N	-1	1	326.378	-0.458	20	30		EBEDMM
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N([O-])C(=N)c1nonc1N	ZINC001182627562	833249312	/nfs/dbraw/zinc/24/93/12/833249312.db2.gz	LSRQBTMVQXCTRF-YFKPBYRVSA-N	-1	1	330.301	-0.919	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001211683619	837452389	/nfs/dbraw/zinc/45/23/89/837452389.db2.gz	LFSYUHIZVVWUAD-ONGXEEELSA-N	-1	1	329.378	-0.255	20	30		EBEDMM
C#CCN1CCC(CCOC)(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001151187738	831042703	/nfs/dbraw/zinc/04/27/03/831042703.db2.gz	ZTRSHDYJIXWBFS-UHFFFAOYSA-N	-1	1	335.364	-0.483	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@H]1CCCN(c2ccncn2)C1	ZINC001178123204	832830173	/nfs/dbraw/zinc/83/01/73/832830173.db2.gz	JIQMESYUTFOODV-QMMMGPOBSA-N	-1	1	332.324	-0.098	20	30		EBEDMM
C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)n[n-]2)C1=O	ZINC001189701073	834181257	/nfs/dbraw/zinc/18/12/57/834181257.db2.gz	CDJNAFZNGRULJZ-JTQLQIEISA-N	-1	1	342.377	-0.396	20	30		EBEDMM
C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)[n-]n2)C1=O	ZINC001189701073	834181258	/nfs/dbraw/zinc/18/12/58/834181258.db2.gz	CDJNAFZNGRULJZ-JTQLQIEISA-N	-1	1	342.377	-0.396	20	30		EBEDMM
C#CCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC001320139776	838237595	/nfs/dbraw/zinc/23/75/95/838237595.db2.gz	INLKMAUSGXZXRP-UHFFFAOYSA-N	-1	1	339.373	-0.471	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001323316680	839411753	/nfs/dbraw/zinc/41/17/53/839411753.db2.gz	AZKDIGMAQKOTRI-GFCCVEGCSA-N	-1	1	343.387	-0.387	20	30		EBEDMM
C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325122787	839789438	/nfs/dbraw/zinc/78/94/38/839789438.db2.gz	JIABPNWMBTYSLO-MLGOLLRUSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
C=C(C)CN1CC2(C1)C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)CO2	ZINC001327412866	840410644	/nfs/dbraw/zinc/41/06/44/840410644.db2.gz	NYTIYSZHESSYAZ-ZDUSSCGKSA-N	-1	1	348.403	-0.538	20	30		EBEDMM
C=C(C)COCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001334157490	842003848	/nfs/dbraw/zinc/00/38/48/842003848.db2.gz	RWSNEELIYBNXGT-UHFFFAOYSA-N	-1	1	342.440	-0.077	20	30		EBEDMM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC001602678545	971255831	/nfs/dbraw/zinc/25/58/31/971255831.db2.gz	BBZUNUJJDVIKLZ-UHFFFAOYSA-N	-1	1	327.300	-0.248	20	30		EBEDMM
C#CCCCC(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573283613	946720088	/nfs/dbraw/zinc/72/00/88/946720088.db2.gz	KUUIIEDXNHYJAI-WAYWQWQTSA-N	-1	1	326.364	-0.034	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573285174	946771386	/nfs/dbraw/zinc/77/13/86/946771386.db2.gz	DVWIMGDHIKEPNA-MNOVXSKESA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573285174	946771394	/nfs/dbraw/zinc/77/13/94/946771394.db2.gz	DVWIMGDHIKEPNA-MNOVXSKESA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCCNc1nc(C)cc(-c2nnn[n-]2)n1	ZINC001573287059	946826778	/nfs/dbraw/zinc/82/67/78/946826778.db2.gz	LITKTQMKEKSHAW-LLVKDONJSA-N	-1	1	344.379	-0.078	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCCNc1nc(C)cc(-c2nn[n-]n2)n1	ZINC001573287059	946826787	/nfs/dbraw/zinc/82/67/87/946826787.db2.gz	LITKTQMKEKSHAW-LLVKDONJSA-N	-1	1	344.379	-0.078	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573292984	946945466	/nfs/dbraw/zinc/94/54/66/946945466.db2.gz	IDRYSIZKZXPEIV-SNVBAGLBSA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573562979	946980671	/nfs/dbraw/zinc/98/06/71/946980671.db2.gz	YISJBJWEFVBDJY-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573562979	946980684	/nfs/dbraw/zinc/98/06/84/946980684.db2.gz	YISJBJWEFVBDJY-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573569612	947072151	/nfs/dbraw/zinc/07/21/51/947072151.db2.gz	CISSGAFLPXIZFT-GARJFASQSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21	ZINC001573569613	947074369	/nfs/dbraw/zinc/07/43/69/947074369.db2.gz	CISSGAFLPXIZFT-OUAUKWLOSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1	ZINC001573570699	947092530	/nfs/dbraw/zinc/09/25/30/947092530.db2.gz	SABQECSJLVFGJW-HBNTYKKESA-N	-1	1	341.379	-0.255	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571762	947102888	/nfs/dbraw/zinc/10/28/88/947102888.db2.gz	APPNETDTUXNKMR-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1	ZINC001573576744	947156084	/nfs/dbraw/zinc/15/60/84/947156084.db2.gz	JFMCTJJCZIGVFG-VIFPVBQESA-N	-1	1	327.352	-0.311	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573309425	947198225	/nfs/dbraw/zinc/19/82/25/947198225.db2.gz	IUCNWVYIRAFDSH-BMIGLBTASA-N	-1	1	346.395	-0.288	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573584350	947219787	/nfs/dbraw/zinc/21/97/87/947219787.db2.gz	UWTYNOINQGZZPW-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573584350	947219797	/nfs/dbraw/zinc/21/97/97/947219797.db2.gz	UWTYNOINQGZZPW-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573584436	947222702	/nfs/dbraw/zinc/22/27/02/947222702.db2.gz	VYSJMKPHLWMPET-SNVBAGLBSA-N	-1	1	341.379	-0.063	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573585987	947273901	/nfs/dbraw/zinc/27/39/01/947273901.db2.gz	KIXAVCYHBMBURJ-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573585987	947273909	/nfs/dbraw/zinc/27/39/09/947273909.db2.gz	KIXAVCYHBMBURJ-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001573586397	947287412	/nfs/dbraw/zinc/28/74/12/947287412.db2.gz	PMVVANYFTTZZNZ-ZETCQYMHSA-N	-1	1	342.410	-0.251	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001573586397	947287424	/nfs/dbraw/zinc/28/74/24/947287424.db2.gz	PMVVANYFTTZZNZ-ZETCQYMHSA-N	-1	1	342.410	-0.251	20	30		EBEDMM
C=CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573328087	947402660	/nfs/dbraw/zinc/40/26/60/947402660.db2.gz	RDKPTGZRHHUEMM-LLVKDONJSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573328087	947402669	/nfs/dbraw/zinc/40/26/69/947402669.db2.gz	RDKPTGZRHHUEMM-LLVKDONJSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C[C@H](C(=O)NC1CCN(CC#N)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573677269	948134464	/nfs/dbraw/zinc/13/44/64/948134464.db2.gz	XDBVTBSYOFBDHB-SECBINFHSA-N	-1	1	330.356	-0.877	20	30		EBEDMM
C[C@H](C(=O)NCc1nc(C#N)cs1)n1cnc(-c2nn[n-]n2)n1	ZINC001573730027	948575336	/nfs/dbraw/zinc/57/53/36/948575336.db2.gz	KJYMVYXZZURNRQ-ZCFIWIBFSA-N	-1	1	330.337	-0.336	20	30		EBEDMM
Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)[C@H]1CCS(=O)(=O)C1	ZINC001570934075	948920893	/nfs/dbraw/zinc/92/08/93/948920893.db2.gz	XIXFGCCNAABPBF-QMMMGPOBSA-N	-1	1	335.349	-0.753	20	30		EBEDMM
C[C@H]1CS(=O)(=O)CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1	ZINC001570934670	948948321	/nfs/dbraw/zinc/94/83/21/948948321.db2.gz	MBKWNPLEGXBYOR-QMMMGPOBSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
CN(C)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001570939583	949148590	/nfs/dbraw/zinc/14/85/90/949148590.db2.gz	DQVKWKPZZJHQCM-VIFPVBQESA-N	-1	1	342.367	-0.280	20	30		EBEDMM
CC(C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCOCC1	ZINC001573787901	949190637	/nfs/dbraw/zinc/19/06/37/949190637.db2.gz	DJSFSLFNEHNWOW-UHFFFAOYSA-N	-1	1	331.340	-0.489	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccn[nH]1	ZINC001603796946	974266134	/nfs/dbraw/zinc/26/61/34/974266134.db2.gz	UMGRZGFIPHMNGA-DTORHVGOSA-N	-1	1	338.320	-0.327	20	30		EBEDMM
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001588461045	983488605	/nfs/dbraw/zinc/48/86/05/983488605.db2.gz	DADFYNLQNAWUJE-NEPJUHHUSA-N	-1	1	325.365	-0.099	20	30		EBEDMM
C#CCN1CCC(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588471696	983507098	/nfs/dbraw/zinc/50/70/98/983507098.db2.gz	XOOAMEQMQGGODT-KGLIPLIRSA-N	-1	1	335.404	-0.373	20	30		EBEDMM
C#CC[NH+]1CCC(C(=O)Nc2[n-]nc(OCCO)c2C(=O)[O-])CC1	ZINC001588471750	983507815	/nfs/dbraw/zinc/50/78/15/983507815.db2.gz	ZCUNOGXOMVJNMJ-UHFFFAOYSA-N	-1	1	336.348	-0.237	20	30		EBEDMM
C=C(C)COCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001588570250	983650634	/nfs/dbraw/zinc/65/06/34/983650634.db2.gz	VGOSFJWXCMZPBV-UHFFFAOYSA-N	-1	1	341.408	-0.297	20	30		EBEDMM
CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C(=O)[O-])C1	ZINC001598603747	993607826	/nfs/dbraw/zinc/60/78/26/993607826.db2.gz	LBYBKVFNNGTTQY-GFCCVEGCSA-N	-1	1	330.344	-0.028	20	30		EBEDMM
C=CCCCC(=O)N[C@@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001484800647	1126634089	/nfs/dbraw/zinc/63/40/89/1126634089.db2.gz	CLIQSWYQNIOCEW-LBPRGKRZSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-]	ZINC001487492213	1128143481	/nfs/dbraw/zinc/14/34/81/1128143481.db2.gz	KOWVQCBSYIGUAQ-GFCCVEGCSA-N	-1	1	346.387	-0.059	20	30		EBEDMM
CN(CCCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)C#CC1CC1	ZINC001687546542	1129273212	/nfs/dbraw/zinc/27/32/12/1129273212.db2.gz	HNTQXSCJAQABTM-UHFFFAOYSA-N	-1	1	346.387	-0.695	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1	ZINC001491208516	1130358367	/nfs/dbraw/zinc/35/83/67/1130358367.db2.gz	RQIRQVJQOVGRMC-MLGOLLRUSA-N	-1	1	337.424	-0.094	20	30		EBEDMM
C#CCCCC(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356755583	1130920060	/nfs/dbraw/zinc/92/00/60/1130920060.db2.gz	GUPFKVXCAUVVKH-UHFFFAOYSA-N	-1	1	332.360	-0.943	20	30		EBEDMM
CC(C)C#CC(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001358509979	1131191518	/nfs/dbraw/zinc/19/15/18/1131191518.db2.gz	KLODHANRAZZUQN-JTQLQIEISA-N	-1	1	330.348	-0.689	20	30		EBEDMM
CC(C)(O)CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001361982846	1131492703	/nfs/dbraw/zinc/49/27/03/1131492703.db2.gz	QNMLIYJQDNUHCU-UHFFFAOYSA-N	-1	1	349.391	-0.874	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCC#N)CC2)co1	ZINC001363262291	1131857980	/nfs/dbraw/zinc/85/79/80/1131857980.db2.gz	RWIYIXHUAAWUBG-UHFFFAOYSA-N	-1	1	326.378	-0.141	20	30		EBEDMM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)CN1CCO	ZINC001363448764	1131954479	/nfs/dbraw/zinc/95/44/79/1131954479.db2.gz	HQWCGSCPTQMMKX-RYUDHWBXSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(=O)[nH]c1=O	ZINC001365034473	1132524477	/nfs/dbraw/zinc/52/44/77/1132524477.db2.gz	IXTUXTVHWRONIF-UHFFFAOYSA-N	-1	1	338.320	-0.025	20	30		EBEDMM
CCOC(=O)N1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H](CO)C1	ZINC001365746521	1132789349	/nfs/dbraw/zinc/78/93/49/1132789349.db2.gz	GBAWORIBJQLETN-KOLCDFICSA-N	-1	1	343.361	-0.121	20	30		EBEDMM
N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1	ZINC000589168682	377402144	/nfs/dbraw/zinc/40/21/44/377402144.db2.gz	CQWJGAPXGXMXNJ-UHFFFAOYSA-N	-1	1	341.331	-0.765	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c(=O)n(C)c1=O	ZINC000592066390	377786274	/nfs/dbraw/zinc/78/62/74/377786274.db2.gz	ZKCSIJJUFILDCT-UHFFFAOYSA-N	-1	1	348.384	-0.371	20	30		EBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1	ZINC000490742276	379560107	/nfs/dbraw/zinc/56/01/07/379560107.db2.gz	YSBZFRPJVOTQNM-UHFFFAOYSA-N	-1	1	346.372	-0.470	20	30		EBEDMM
C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000360169784	380259080	/nfs/dbraw/zinc/25/90/80/380259080.db2.gz	KZQZKMHCCRGOBV-UHFFFAOYSA-N	-1	1	327.362	-0.143	20	30		EBEDMM
C=CCOC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)C(=O)OC	ZINC000360722969	380264933	/nfs/dbraw/zinc/26/49/33/380264933.db2.gz	QROMCPUXYQSSBX-SNVBAGLBSA-N	-1	1	346.361	-0.338	20	30		EBEDMM
CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC000615423295	381065696	/nfs/dbraw/zinc/06/56/96/381065696.db2.gz	HQGLQGLEDOUEQF-UHFFFAOYSA-N	-1	1	338.389	-0.172	20	30		EBEDMM
COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1=O	ZINC000344732003	156260004	/nfs/dbraw/zinc/26/00/04/156260004.db2.gz	SBBULTNTBHRFPK-JTQLQIEISA-N	-1	1	341.345	-0.406	20	30		EBEDMM
COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cccnc2C#N)nn1	ZINC000428394771	267368827	/nfs/dbraw/zinc/36/88/27/267368827.db2.gz	WRCIRMJGPAAILB-UHFFFAOYSA-N	-1	1	336.333	-0.804	20	30		EBEDMM
CC(C)C(CS(=O)(=O)N(C)C)N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000794910053	583586167	/nfs/dbraw/zinc/58/61/67/583586167.db2.gz	XIHBFCYDURQGNP-UHFFFAOYSA-N	-1	1	341.397	-0.253	20	30		EBEDMM
N#Cc1ccccc1OCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC000798145423	583602252	/nfs/dbraw/zinc/60/22/52/583602252.db2.gz	LIFRKKLURNEXJH-UHFFFAOYSA-N	-1	1	328.332	-0.040	20	30		EBEDMM
CN1CCN(C[C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2)CC1	ZINC000820626555	583776179	/nfs/dbraw/zinc/77/61/79/583776179.db2.gz	QBVKKCQMOMTGAV-BBRMVZONSA-N	-1	1	338.408	-0.534	20	30		EBEDMM
C#CCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000823851048	583838107	/nfs/dbraw/zinc/83/81/07/583838107.db2.gz	YADPWMDSIPLVAY-GFCCVEGCSA-N	-1	1	332.389	-0.116	20	30		EBEDMM
C#CCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000823851048	583838109	/nfs/dbraw/zinc/83/81/09/583838109.db2.gz	YADPWMDSIPLVAY-GFCCVEGCSA-N	-1	1	332.389	-0.116	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2C#N)c1=O	ZINC000826356657	583893664	/nfs/dbraw/zinc/89/36/64/583893664.db2.gz	AALXCHUDWDLXBX-UHFFFAOYSA-N	-1	1	327.279	-0.214	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CC#Cc2ccc(F)cc2)c1=O	ZINC000826356396	583894006	/nfs/dbraw/zinc/89/40/06/583894006.db2.gz	OWHHBQDJYQCJMR-UHFFFAOYSA-N	-1	1	326.291	-0.082	20	30		EBEDMM
C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NCC(=O)[O-]	ZINC000828499942	583941156	/nfs/dbraw/zinc/94/11/56/583941156.db2.gz	KBHJWRSQXYOXQJ-LLVKDONJSA-N	-1	1	332.364	-0.550	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1	ZINC000948098590	653522736	/nfs/dbraw/zinc/52/27/36/653522736.db2.gz	IQHBSBQOXUVGSM-QMMMGPOBSA-N	-1	1	349.347	-0.223	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000949320522	653862106	/nfs/dbraw/zinc/86/21/06/653862106.db2.gz	PAJWAMVVDKZTAT-LBPRGKRZSA-N	-1	1	348.407	-0.539	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224616	654425351	/nfs/dbraw/zinc/42/53/51/654425351.db2.gz	JIVBGKHWNSVAAZ-SNVBAGLBSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)cn1	ZINC000957378886	722203445	/nfs/dbraw/zinc/20/34/45/722203445.db2.gz	MZYFAGHUDUCRGT-UHFFFAOYSA-N	-1	1	326.360	-0.557	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC000960275726	722813168	/nfs/dbraw/zinc/81/31/68/722813168.db2.gz	BBUHKQPWRFLLMX-NTZNESFSSA-N	-1	1	330.344	-0.001	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000970547858	725299354	/nfs/dbraw/zinc/29/93/54/725299354.db2.gz	JTMVCELBKLBXIP-SNVBAGLBSA-N	-1	1	346.395	-0.864	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000972298831	725493791	/nfs/dbraw/zinc/49/37/91/725493791.db2.gz	VTGVPATYFAZAHT-ABAIWWIYSA-N	-1	1	334.380	-0.929	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O	ZINC001007046802	726788972	/nfs/dbraw/zinc/78/89/72/726788972.db2.gz	PNSNMYQCJVGPHI-LLVKDONJSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)cn1	ZINC001051906361	735457375	/nfs/dbraw/zinc/45/73/75/735457375.db2.gz	PNQNBOPEPVGOHO-ZDUSSCGKSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001017696171	728605361	/nfs/dbraw/zinc/60/53/61/728605361.db2.gz	ITGIQGUBVFVWEO-TXEJJXNPSA-N	-1	1	331.376	-0.086	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C	ZINC001020535507	729197877	/nfs/dbraw/zinc/19/78/77/729197877.db2.gz	KWMIPLUIDFJAKR-CIUDSAMLSA-N	-1	1	349.347	-0.225	20	30		EBEDMM
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001032689055	730911540	/nfs/dbraw/zinc/91/15/40/730911540.db2.gz	OUOPUKQCEFSZLF-RYUDHWBXSA-N	-1	1	328.376	-0.068	20	30		EBEDMM
N#CCN1CCC2(C1)CCN(C(=O)c1cc(=O)n3[n-]cnc3n1)CC2	ZINC001035246957	731200622	/nfs/dbraw/zinc/20/06/22/731200622.db2.gz	QKKVMGGJNWMGNX-UHFFFAOYSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038266821	731300852	/nfs/dbraw/zinc/30/08/52/731300852.db2.gz	NJOPLGONMHINBA-XQQFMLRXSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1=O	ZINC001041271834	732059398	/nfs/dbraw/zinc/05/93/98/732059398.db2.gz	CALVJJKCCUJWBF-KRWDZBQOSA-N	-1	1	329.404	-0.054	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc1=O	ZINC001042058325	732289975	/nfs/dbraw/zinc/28/99/75/732289975.db2.gz	PTRWUQMOOBNGGA-KGLIPLIRSA-N	-1	1	329.404	-0.055	20	30		EBEDMM
N#CCN1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC001042312067	732404164	/nfs/dbraw/zinc/40/41/64/732404164.db2.gz	MTJKWCDXXBJIPN-PWSUYJOCSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001046251168	733895953	/nfs/dbraw/zinc/89/59/53/733895953.db2.gz	KBPCMDJKGHKBFZ-HNNXBMFYSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001049788561	734790282	/nfs/dbraw/zinc/79/02/82/734790282.db2.gz	OEPJZKZHXUMAMP-QWHCGFSZSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
C=C(C)CN1CCOC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051208176	735099224	/nfs/dbraw/zinc/09/92/24/735099224.db2.gz	ACJLBHFYTTYZPK-LLVKDONJSA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001058658977	737939723	/nfs/dbraw/zinc/93/97/23/737939723.db2.gz	POCLOIKHJXAXBG-SNVBAGLBSA-N	-1	1	347.375	-0.230	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1	ZINC001064306071	739273320	/nfs/dbraw/zinc/27/33/20/739273320.db2.gz	BFXQJZWOIZPSLN-QMMMGPOBSA-N	-1	1	349.347	-0.175	20	30		EBEDMM
C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065073383	739510366	/nfs/dbraw/zinc/51/03/66/739510366.db2.gz	KZLVJFPZOQVYOD-ZDUSSCGKSA-N	-1	1	347.371	-0.216	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001070630205	740900503	/nfs/dbraw/zinc/90/05/03/740900503.db2.gz	HGYZIOGJNWTAFI-GMTAPVOTSA-N	-1	1	344.379	-0.512	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071185559	741080862	/nfs/dbraw/zinc/08/08/62/741080862.db2.gz	IFQXNUTWMVESHL-BMIGLBTASA-N	-1	1	333.348	-0.779	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C	ZINC001071953071	741263722	/nfs/dbraw/zinc/26/37/22/741263722.db2.gz	UTAVBNDEEISHKJ-NEPJUHHUSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
CC#CCN1CCCO[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001073724216	741722608	/nfs/dbraw/zinc/72/26/08/741722608.db2.gz	SANNVCGWYXVIIB-LBPRGKRZSA-N	-1	1	334.376	-0.670	20	30		EBEDMM
CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001076411267	742460977	/nfs/dbraw/zinc/46/09/77/742460977.db2.gz	AMIMMFYTADYPTF-ZDUSSCGKSA-N	-1	1	348.403	-0.403	20	30		EBEDMM
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077133520	742749206	/nfs/dbraw/zinc/74/92/06/742749206.db2.gz	RCQGZJMLQJJUOJ-DGCLKSJQSA-N	-1	1	346.391	-0.929	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001078131886	743488894	/nfs/dbraw/zinc/48/88/94/743488894.db2.gz	CBHSELDRHTWWDP-BDAKNGLRSA-N	-1	1	331.336	-0.798	20	30		EBEDMM
N#Cc1cc(C(=O)N2CCCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001078383599	743616722	/nfs/dbraw/zinc/61/67/22/743616722.db2.gz	ALLSWAIXVRDNFY-GFCCVEGCSA-N	-1	1	345.363	-0.269	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1	ZINC000983214738	806953108	/nfs/dbraw/zinc/95/31/08/806953108.db2.gz	JPVMAOCNWWWSPC-BDAKNGLRSA-N	-1	1	349.347	-0.366	20	30		EBEDMM
C=C(C)CCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001218037439	810473433	/nfs/dbraw/zinc/47/34/33/810473433.db2.gz	NDMDFBNCWGENTE-QWHCGFSZSA-N	-1	1	335.408	-0.124	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221539073	811482543	/nfs/dbraw/zinc/48/25/43/811482543.db2.gz	LOJVHQZRAUASSZ-YNEHKIRRSA-N	-1	1	333.392	-0.821	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221539072	811482927	/nfs/dbraw/zinc/48/29/27/811482927.db2.gz	LOJVHQZRAUASSZ-JHJVBQTASA-N	-1	1	333.392	-0.821	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001222064364	811590470	/nfs/dbraw/zinc/59/04/70/811590470.db2.gz	QGXYBDZMYVSNQR-CHWSQXEVSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222661954	811652872	/nfs/dbraw/zinc/65/28/72/811652872.db2.gz	TZAWORHMODRWQT-MJBXVCDLSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
C[C@H](CS)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227476165	811924558	/nfs/dbraw/zinc/92/45/58/811924558.db2.gz	PUWSSQKSPRATTM-GSVOUGTGSA-N	-1	1	341.305	-0.977	20	30		EBEDMM
CC#C[C@H](CC)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227476662	811924980	/nfs/dbraw/zinc/92/49/80/811924980.db2.gz	VHCQIWXYSNFUEF-LURJTMIESA-N	-1	1	347.287	-0.493	20	30		EBEDMM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c[nH]c(C(=O)OC)cc1=O	ZINC001227785048	811943019	/nfs/dbraw/zinc/94/30/19/811943019.db2.gz	AUVJHZQTFWPBQZ-SECBINFHSA-N	-1	1	347.345	-0.001	20	30		EBEDMM
C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncccc2[O-])C1	ZINC001230450279	812142948	/nfs/dbraw/zinc/14/29/48/812142948.db2.gz	WPMGHMVPVKEDBU-GFCCVEGCSA-N	-1	1	337.401	-0.361	20	30		EBEDMM
C=CCOC[C@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1	ZINC001252474267	812658115	/nfs/dbraw/zinc/65/81/15/812658115.db2.gz	XUKCOBUXPJEMPM-CQSZACIVSA-N	-1	1	336.454	-0.165	20	30		EBEDMM
C=CCn1cnc2nc([N-]S(=O)(=O)CS(C)(=O)=O)[nH]c(=O)c21	ZINC001260598867	812843433	/nfs/dbraw/zinc/84/34/33/812843433.db2.gz	NFSBKUKOEBBCCZ-UHFFFAOYSA-N	-1	1	347.378	-0.538	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081463134	812995642	/nfs/dbraw/zinc/99/56/42/812995642.db2.gz	JUGDJOYVRMUKGR-TZMCWYRMSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
CN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccncc1C#N	ZINC001263220491	813109991	/nfs/dbraw/zinc/10/99/91/813109991.db2.gz	FPACTNGMKODVJE-UHFFFAOYSA-N	-1	1	342.359	-0.554	20	30		EBEDMM
C#CCN1CCN(c2nnc(Cc3nn[n-]n3)n2CC(=C)C)CC1	ZINC001263304338	813111202	/nfs/dbraw/zinc/11/12/02/813111202.db2.gz	ZMIYCEPRZASQBW-UHFFFAOYSA-N	-1	1	327.396	-0.287	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001265190751	813255953	/nfs/dbraw/zinc/25/59/53/813255953.db2.gz	ZVSKQNPRCQXMED-INIZCTEOSA-N	-1	1	337.424	-0.142	20	30		EBEDMM
C#CCCCCC(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001265257938	813279702	/nfs/dbraw/zinc/27/97/02/813279702.db2.gz	SZRNURNGLQHENX-UHFFFAOYSA-N	-1	1	348.451	-0.464	20	30		EBEDMM
C=C(Cl)CN1CC(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001267695321	813992018	/nfs/dbraw/zinc/99/20/18/813992018.db2.gz	RCOXRMQTQVUYRS-UHFFFAOYSA-N	-1	1	326.784	-0.273	20	30		EBEDMM
N#CCCCN1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576373	814734302	/nfs/dbraw/zinc/73/43/02/814734302.db2.gz	JZQAZQNTBGFDDT-HNNXBMFYSA-N	-1	1	347.379	-0.877	20	30		EBEDMM
N#CC1(NC(=O)[C@@H]2CC23CCN(C(=O)Cc2nn[n-]n2)CC3)CCC1	ZINC001270789144	815892661	/nfs/dbraw/zinc/89/26/61/815892661.db2.gz	MWCKSKMTEBVDOX-NSHDSACASA-N	-1	1	343.391	-0.067	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1	ZINC001088168948	816640694	/nfs/dbraw/zinc/64/06/94/816640694.db2.gz	AFLQKWLFDYNBQM-ZJUUUORDSA-N	-1	1	333.348	-0.186	20	30		EBEDMM
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088529376	816696036	/nfs/dbraw/zinc/69/60/36/816696036.db2.gz	SOOGUEQCJSPJKM-KOLCDFICSA-N	-1	1	329.364	-0.299	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001090629554	817597196	/nfs/dbraw/zinc/59/71/96/817597196.db2.gz	HJJCKYJVGDVFDY-STQMWFEESA-N	-1	1	329.360	-0.789	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001278309458	817740253	/nfs/dbraw/zinc/74/02/53/817740253.db2.gz	FMMAGYWRTJUYLW-MCIONIFRSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C#CCOCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001278707882	817797564	/nfs/dbraw/zinc/79/75/64/817797564.db2.gz	VTHAYCMWASVMQS-UHFFFAOYSA-N	-1	1	337.380	-0.695	20	30		EBEDMM
C#Cc1ccc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001279885723	818000565	/nfs/dbraw/zinc/00/05/65/818000565.db2.gz	BGDLXVUKVBDLDJ-UHFFFAOYSA-N	-1	1	330.348	-0.889	20	30		EBEDMM
N#CCSCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001281640517	818241334	/nfs/dbraw/zinc/24/13/34/818241334.db2.gz	GKGMMBQLRLVBQJ-MWLCHTKSSA-N	-1	1	336.373	-0.655	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001094499230	818277563	/nfs/dbraw/zinc/27/75/63/818277563.db2.gz	PZBGTTOBADTYIJ-UHFFFAOYSA-N	-1	1	342.359	-0.188	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1ccnc(C#N)n1	ZINC001094502164	818278933	/nfs/dbraw/zinc/27/89/33/818278933.db2.gz	HLKXZXFLESCHOA-UHFFFAOYSA-N	-1	1	345.319	-0.788	20	30		EBEDMM
C#CCCCC(=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001282862557	818506688	/nfs/dbraw/zinc/50/66/88/818506688.db2.gz	MLDDFRCELKWCSR-UHFFFAOYSA-N	-1	1	342.359	-0.495	20	30		EBEDMM
C=C1CC(C)(C(=O)NCCNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283115942	818659418	/nfs/dbraw/zinc/65/94/18/818659418.db2.gz	HPHPEHAEJOHHMD-UHFFFAOYSA-N	-1	1	334.376	-0.485	20	30		EBEDMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ncccc1C#N	ZINC001097940184	819058664	/nfs/dbraw/zinc/05/86/64/819058664.db2.gz	UYQUBUYDBPZOFY-LLVKDONJSA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C#CCCCC(=O)NC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284226385	819138375	/nfs/dbraw/zinc/13/83/75/819138375.db2.gz	HAIHYDMTTQEROH-LBPRGKRZSA-N	-1	1	334.376	-0.649	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)nc1=O	ZINC001099830625	819757406	/nfs/dbraw/zinc/75/74/06/819757406.db2.gz	VODGTQQILDXJBY-NWDGAFQWSA-N	-1	1	335.408	-0.791	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099946950	819959037	/nfs/dbraw/zinc/95/90/37/819959037.db2.gz	NVYXLWUTHQRCCB-VXGBXAGGSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C#CCNC(=O)CN1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1	ZINC001101879551	820941798	/nfs/dbraw/zinc/94/17/98/820941798.db2.gz	UDZQMWQAIZZEGZ-ZYHUDNBSSA-N	-1	1	333.392	-0.529	20	30		EBEDMM
C#CCCCCC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001297034594	821304100	/nfs/dbraw/zinc/30/41/00/821304100.db2.gz	ABDMGEGQEMWMBR-UHFFFAOYSA-N	-1	1	342.359	-0.448	20	30		EBEDMM
C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107843396	823997463	/nfs/dbraw/zinc/99/74/63/823997463.db2.gz	GUKOCBDIVOMPQZ-MRVPVSSYSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNc1cnc(C#N)cn1	ZINC001107855209	824000289	/nfs/dbraw/zinc/00/02/89/824000289.db2.gz	GGCMGKAKOXOSCU-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
CC#CCN1CCO[C@](C)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001108282095	824194603	/nfs/dbraw/zinc/19/46/03/824194603.db2.gz	MQWLBWBHOMVDIZ-QGZVFWFLSA-N	-1	1	348.403	-0.843	20	30		EBEDMM
C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108445424	824290348	/nfs/dbraw/zinc/29/03/48/824290348.db2.gz	UKUAVIDEFIHWSA-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461390	824295933	/nfs/dbraw/zinc/29/59/33/824295933.db2.gz	NNDNWWKAESTJPR-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110500957	824743707	/nfs/dbraw/zinc/74/37/07/824743707.db2.gz	SHBFWLAOSPKYRF-YMEQNVIZSA-N	-1	1	335.408	-0.343	20	30		EBEDMM
N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3ncccc3[O-])C2)cn1	ZINC001111065512	824893580	/nfs/dbraw/zinc/89/35/80/824893580.db2.gz	DQWCNCBCDWIMBT-INIZCTEOSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC001114142922	826147828	/nfs/dbraw/zinc/14/78/28/826147828.db2.gz	JATHJJFRMJCMMW-NNYUYHANSA-N	-1	1	333.392	-0.226	20	30		EBEDMM
COCC#CCN1CCC2(CN(C(=O)c3cnc([O-])n(C)c3=O)C2)C1	ZINC001148011681	830437758	/nfs/dbraw/zinc/43/77/58/830437758.db2.gz	ZCNLEAMSMBDJFV-UHFFFAOYSA-N	-1	1	346.387	-0.716	20	30		EBEDMM
C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001149573405	830699823	/nfs/dbraw/zinc/69/98/23/830699823.db2.gz	KNXBBSISPPOKCK-ZDUSSCGKSA-N	-1	1	346.387	-0.643	20	30		EBEDMM
C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001212156691	837559495	/nfs/dbraw/zinc/55/94/95/837559495.db2.gz	YEKZKTQCAKRSMI-DGCLKSJQSA-N	-1	1	334.376	-0.482	20	30		EBEDMM
C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001212156505	837559707	/nfs/dbraw/zinc/55/97/07/837559707.db2.gz	PJJIUHHKLBXCIJ-YRGRVCCFSA-N	-1	1	348.403	-0.093	20	30		EBEDMM
C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001350674927	832184490	/nfs/dbraw/zinc/18/44/90/832184490.db2.gz	XQHXHDODVDSUGP-GFCCVEGCSA-N	-1	1	344.371	-0.400	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001354621549	832508072	/nfs/dbraw/zinc/50/80/72/832508072.db2.gz	YLTOCVPNDDYYGK-LLVKDONJSA-N	-1	1	336.392	-0.240	20	30		EBEDMM
C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001176955718	832718518	/nfs/dbraw/zinc/71/85/18/832718518.db2.gz	XZMOITLNCFKYJS-STQMWFEESA-N	-1	1	335.408	-0.124	20	30		EBEDMM
CC#CCN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](OC)C1	ZINC001212495246	837698399	/nfs/dbraw/zinc/69/83/99/837698399.db2.gz	AHSMMKZDABKTCJ-VXGBXAGGSA-N	-1	1	337.380	-0.692	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202200885	836272802	/nfs/dbraw/zinc/27/28/02/836272802.db2.gz	SSJSVJKTXQBOML-NWDGAFQWSA-N	-1	1	339.396	-0.192	20	30		EBEDMM
C=CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]1CCS(=O)(=O)C1	ZINC001320805457	838841131	/nfs/dbraw/zinc/84/11/31/838841131.db2.gz	JTSLCYIXXGXCKJ-MRVPVSSYSA-N	-1	1	343.361	-0.288	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)nc1	ZINC001322280242	839166449	/nfs/dbraw/zinc/16/64/49/839166449.db2.gz	FYFBIUZHYFMPQG-NSHDSACASA-N	-1	1	328.376	-0.265	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001327635058	840480236	/nfs/dbraw/zinc/48/02/36/840480236.db2.gz	QRJGMGLEVOEINU-AWEZNQCLSA-N	-1	1	339.396	-0.408	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001334397578	842048966	/nfs/dbraw/zinc/04/89/66/842048966.db2.gz	AGNTYILKKQTTFU-GHMZBOCLSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
CC(C)(C)C#CC(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001348931324	843772512	/nfs/dbraw/zinc/77/25/12/843772512.db2.gz	PSRDKFRDMPTXIS-UHFFFAOYSA-N	-1	1	334.376	-0.791	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573286514	946808768	/nfs/dbraw/zinc/80/87/68/946808768.db2.gz	CVZYVYYRNCBMNZ-NSHDSACASA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573286514	946808775	/nfs/dbraw/zinc/80/87/75/946808775.db2.gz	CVZYVYYRNCBMNZ-NSHDSACASA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573561224	946960235	/nfs/dbraw/zinc/96/02/35/946960235.db2.gz	JEUGZVJYTRFTNU-ZJUUUORDSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573561224	946960240	/nfs/dbraw/zinc/96/02/40/946960240.db2.gz	JEUGZVJYTRFTNU-ZJUUUORDSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573564048	946987274	/nfs/dbraw/zinc/98/72/74/946987274.db2.gz	DTGGCRFCWWSPQJ-VIFPVBQESA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573572072	947108493	/nfs/dbraw/zinc/10/84/93/947108493.db2.gz	DQDDXUPDXYTHTE-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573572072	947108497	/nfs/dbraw/zinc/10/84/97/947108497.db2.gz	DQDDXUPDXYTHTE-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573576975	947157581	/nfs/dbraw/zinc/15/75/81/947157581.db2.gz	KNLWCXSWVCQSQT-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573576975	947157587	/nfs/dbraw/zinc/15/75/87/947157587.db2.gz	KNLWCXSWVCQSQT-XWLWVQCSSA-N	-1	1	339.363	-0.385	20	30		EBEDMM
CC(C)[C@@H](CNC(=O)[C@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573577368	947166466	/nfs/dbraw/zinc/16/64/66/947166466.db2.gz	ONDPPYNWCCFPGD-NXEZZACHSA-N	-1	1	329.368	-0.209	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573583139	947199798	/nfs/dbraw/zinc/19/97/98/947199798.db2.gz	KCLMLXDVACKSJW-NXEZZACHSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1	ZINC001573584349	947219830	/nfs/dbraw/zinc/21/98/30/947219830.db2.gz	UWTYNOINQGZZPW-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1	ZINC001573584349	947219837	/nfs/dbraw/zinc/21/98/37/947219837.db2.gz	UWTYNOINQGZZPW-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573584382	947221591	/nfs/dbraw/zinc/22/15/91/947221591.db2.gz	VAVMKEZMQOKXMA-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573584382	947221607	/nfs/dbraw/zinc/22/16/07/947221607.db2.gz	VAVMKEZMQOKXMA-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C	ZINC001573585486	947258720	/nfs/dbraw/zinc/25/87/20/947258720.db2.gz	QCLMYLIDNQWBSS-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C	ZINC001573585486	947258728	/nfs/dbraw/zinc/25/87/28/947258728.db2.gz	QCLMYLIDNQWBSS-IQJOONFLSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC	ZINC001573328496	947409827	/nfs/dbraw/zinc/40/98/27/947409827.db2.gz	XDLICZGFBUESHC-VXGBXAGGSA-N	-1	1	344.379	-0.057	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC	ZINC001573328496	947409836	/nfs/dbraw/zinc/40/98/36/947409836.db2.gz	XDLICZGFBUESHC-VXGBXAGGSA-N	-1	1	344.379	-0.057	20	30		EBEDMM
C=CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573335748	947488397	/nfs/dbraw/zinc/48/83/97/947488397.db2.gz	UHGMICXVZWMRGS-VXGBXAGGSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573335748	947488399	/nfs/dbraw/zinc/48/83/99/947488399.db2.gz	UHGMICXVZWMRGS-VXGBXAGGSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C=CCCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573336877	947511332	/nfs/dbraw/zinc/51/13/32/947511332.db2.gz	SAVSHUCKCDTUJW-LLVKDONJSA-N	-1	1	344.379	-0.316	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573342907	947549546	/nfs/dbraw/zinc/54/95/46/947549546.db2.gz	GWJGCLXUMGLTSL-LLVKDONJSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573342907	947549554	/nfs/dbraw/zinc/54/95/54/947549554.db2.gz	GWJGCLXUMGLTSL-LLVKDONJSA-N	-1	1	344.379	-0.056	20	30		EBEDMM
C=CCOCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573343823	947564490	/nfs/dbraw/zinc/56/44/90/947564490.db2.gz	SXKZWIRQUPNASR-NSHDSACASA-N	-1	1	344.379	-0.316	20	30		EBEDMM
C[C@@H](C(=O)NC1CCN(CC#N)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573677285	948134172	/nfs/dbraw/zinc/13/41/72/948134172.db2.gz	XDBVTBSYOFBDHB-VIFPVBQESA-N	-1	1	330.356	-0.877	20	30		EBEDMM
CC(C)(C#N)CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573762670	948859606	/nfs/dbraw/zinc/85/96/06/948859606.db2.gz	XXAWBRDXZUJLGH-UHFFFAOYSA-N	-1	1	332.324	-0.815	20	30		EBEDMM
C[C@@H]1CS(=O)(=O)CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001570934614	948945069	/nfs/dbraw/zinc/94/50/69/948945069.db2.gz	LUZFVDMMLDXBKY-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
C[C@@H]1CS(=O)(=O)CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1	ZINC001570934614	948945079	/nfs/dbraw/zinc/94/50/79/948945079.db2.gz	LUZFVDMMLDXBKY-MRVPVSSYSA-N	-1	1	334.365	-0.458	20	30		EBEDMM
COC(=O)C1(C#N)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001570934568	948946622	/nfs/dbraw/zinc/94/66/22/948946622.db2.gz	GEVFBNACEPCSEG-UHFFFAOYSA-N	-1	1	339.319	-0.188	20	30		EBEDMM
CN(C)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001570939579	949148646	/nfs/dbraw/zinc/14/86/46/949148646.db2.gz	DQVKWKPZZJHQCM-SECBINFHSA-N	-1	1	342.367	-0.280	20	30		EBEDMM
N#C[C@@]12CN(Cc3cccc(-c4nnn[n-]4)n3)C[C@H]1CS(=O)(=O)C2	ZINC001570944610	949433249	/nfs/dbraw/zinc/43/32/49/949433249.db2.gz	BTVDUIOQGCDZBB-HZMBPMFUSA-N	-1	1	345.388	-0.368	20	30		EBEDMM
N#C[C@@]12CN(Cc3cccc(-c4nn[n-]n4)n3)C[C@H]1CS(=O)(=O)C2	ZINC001570944610	949433260	/nfs/dbraw/zinc/43/32/60/949433260.db2.gz	BTVDUIOQGCDZBB-HZMBPMFUSA-N	-1	1	345.388	-0.368	20	30		EBEDMM
N#CC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1	ZINC001570946217	949525838	/nfs/dbraw/zinc/52/58/38/949525838.db2.gz	OHVFAKSDQILUMH-UHFFFAOYSA-N	-1	1	344.335	-0.671	20	30		EBEDMM
COC(=O)[C@H](CSc1cnc(-c2nn[n-]n2)c(C#N)n1)NC(C)=O	ZINC001570948499	949607867	/nfs/dbraw/zinc/60/78/67/949607867.db2.gz	GVWANAOTYQZUQQ-QMMMGPOBSA-N	-1	1	348.348	-0.702	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)[C@@H]2CNC(=O)c3ccccc32)nc1-c1nn[nH]n1	ZINC001570950738	949698770	/nfs/dbraw/zinc/69/87/70/949698770.db2.gz	SKTSWWWSPYWDCP-SECBINFHSA-N	-1	1	349.314	-0.073	20	30		EBEDMM
C#CCN1CCC(NC(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001588430479	958258190	/nfs/dbraw/zinc/25/81/90/958258190.db2.gz	MFHWTQOACAVQDK-UHFFFAOYSA-N	-1	1	327.381	-0.499	20	30		EBEDMM
C#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CC1	ZINC001573311588	962707716	/nfs/dbraw/zinc/70/77/16/962707716.db2.gz	UNAJGPJBOAAUHY-OLZOCXBDSA-N	-1	1	333.388	-0.619	20	30		EBEDMM
CON=CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001604662217	973842021	/nfs/dbraw/zinc/84/20/21/973842021.db2.gz	XKOXVOYGMCSPQY-XPUUQOCRSA-N	-1	1	325.243	-0.259	20	30		EBEDMM
CCN(CCO)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596341126	983791388	/nfs/dbraw/zinc/79/13/88/983791388.db2.gz	ZPKMYJVMCAYXDC-UHFFFAOYSA-N	-1	1	341.389	-0.151	20	30		EBEDMM
CN(C)CC#CCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001598197049	990803657	/nfs/dbraw/zinc/80/36/57/990803657.db2.gz	PKZJFUMXJSVMJM-LBPRGKRZSA-N	-1	1	334.380	-0.112	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)Cc1cc(=O)n2[n-]ccc2n1	ZINC001411165526	1128058560	/nfs/dbraw/zinc/05/85/60/1128058560.db2.gz	LODDVUDPNHSQBY-YPMHNXCESA-N	-1	1	346.391	-0.567	20	30		EBEDMM
CC#CCNCc1cc(=O)[nH]c(CNC(=O)c2[nH]nc(C)c2[O-])n1	ZINC001489075202	1128905015	/nfs/dbraw/zinc/90/50/15/1128905015.db2.gz	NEOHIHZJTZQEGZ-UHFFFAOYSA-N	-1	1	330.348	-0.038	20	30		EBEDMM
C=CCN1CCN(CCNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001490506775	1129213610	/nfs/dbraw/zinc/21/36/10/1129213610.db2.gz	CROFJQSSLWJBLD-UHFFFAOYSA-N	-1	1	330.392	-0.444	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(CNC(=O)C#CC(C)C)C1	ZINC001356810211	1130949671	/nfs/dbraw/zinc/94/96/71/1130949671.db2.gz	XCNUPVABODFCPL-UHFFFAOYSA-N	-1	1	348.359	-0.256	20	30		EBEDMM
C=CCCC(=O)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001358591282	1131220662	/nfs/dbraw/zinc/22/06/62/1131220662.db2.gz	KGHIQEKDTHRMRQ-SNVBAGLBSA-N	-1	1	330.348	-0.286	20	30		EBEDMM
C=CCCC(=O)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001358591281	1131220755	/nfs/dbraw/zinc/22/07/55/1131220755.db2.gz	KGHIQEKDTHRMRQ-JTQLQIEISA-N	-1	1	330.348	-0.286	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]1CNC(=O)C#CC(C)C	ZINC001358603270	1131225521	/nfs/dbraw/zinc/22/55/21/1131225521.db2.gz	BVZDFNOPCQOPMO-SNVBAGLBSA-N	-1	1	348.359	-0.114	20	30		EBEDMM
Cc1cc(C[C@@H](C)NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n[nH]1	ZINC001362146472	1131524715	/nfs/dbraw/zinc/52/47/15/1131524715.db2.gz	ATGVVVXPHHOANS-SECBINFHSA-N	-1	1	330.348	-0.010	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C(=O)NCC23CCOCC3)o1	ZINC001364049965	1132183829	/nfs/dbraw/zinc/18/38/29/1132183829.db2.gz	PIGMGGLHFPXZMS-LLVKDONJSA-N	-1	1	325.346	-0.275	20	30		EBEDMM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364927783	1132489521	/nfs/dbraw/zinc/48/95/21/1132489521.db2.gz	NFNBAKBNNPNXQM-VXGBXAGGSA-N	-1	1	348.377	-0.725	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[n-]n1	ZINC001365452710	1132685647	/nfs/dbraw/zinc/68/56/47/1132685647.db2.gz	PTNSCUUPBNZNPM-JTQLQIEISA-N	-1	1	339.377	-0.443	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n[n-]1	ZINC001365452710	1132685651	/nfs/dbraw/zinc/68/56/51/1132685651.db2.gz	PTNSCUUPBNZNPM-JTQLQIEISA-N	-1	1	339.377	-0.443	20	30		EBEDMM
Cn1[n-]cc2c(=NC(=O)N3CCN(C(=O)CC#N)CC3)ccnc1-2	ZINC001365512183	1132706733	/nfs/dbraw/zinc/70/67/33/1132706733.db2.gz	UPKYZIPPNNHKLG-UHFFFAOYSA-N	-1	1	327.348	-0.068	20	30		EBEDMM
CCN1CC[C@@H]1CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365663887	1132752405	/nfs/dbraw/zinc/75/24/05/1132752405.db2.gz	VCUILWYTIMTZBG-LLVKDONJSA-N	-1	1	332.364	-0.519	20	30		EBEDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(C#N)CCOCC1	ZINC001365748339	1132790324	/nfs/dbraw/zinc/79/03/24/1132790324.db2.gz	ZGBGVXROEPFGJI-UHFFFAOYSA-N	-1	1	328.350	-0.205	20	30		EBEDMM
O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000363874049	377503047	/nfs/dbraw/zinc/50/30/47/377503047.db2.gz	HKBVTVINEOQIJO-ZDUSSCGKSA-N	-1	1	327.300	-0.120	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(=O)n(C)c1=O	ZINC000593620156	377898325	/nfs/dbraw/zinc/89/83/25/377898325.db2.gz	GNIVFNSQKFUYPK-UHFFFAOYSA-N	-1	1	326.378	-0.554	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1	ZINC000491125411	379584048	/nfs/dbraw/zinc/58/40/48/379584048.db2.gz	DWTLOHPKSCRGIH-UHFFFAOYSA-N	-1	1	347.331	-0.797	20	30		EBEDMM
C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)C	ZINC000490963342	379574697	/nfs/dbraw/zinc/57/46/97/379574697.db2.gz	UUSMGRDIKZHACZ-VIFPVBQESA-N	-1	1	327.362	-0.569	20	30		EBEDMM
C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000491809167	379633885	/nfs/dbraw/zinc/63/38/85/379633885.db2.gz	GEONRTCTYRXTIH-UHFFFAOYSA-N	-1	1	334.423	-0.174	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(=O)OC	ZINC000360596805	380265012	/nfs/dbraw/zinc/26/50/12/380265012.db2.gz	JNWRFWGFIJOFEF-UTUOFQBUSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736994804	582980782	/nfs/dbraw/zinc/98/07/82/582980782.db2.gz	MKPMVMPHYPOREU-UHFFFAOYSA-N	-1	1	337.365	-0.188	20	30		EBEDMM
COCCN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736994804	582980784	/nfs/dbraw/zinc/98/07/84/582980784.db2.gz	MKPMVMPHYPOREU-UHFFFAOYSA-N	-1	1	337.365	-0.188	20	30		EBEDMM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1	ZINC000737682463	583024541	/nfs/dbraw/zinc/02/45/41/583024541.db2.gz	ICTYMVOKQKXTMA-MRVPVSSYSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
CS(=O)(=O)N1CCC(N=Nc2nc3[nH][n-]cc-3c(=O)n2)CC1	ZINC000747631613	583114354	/nfs/dbraw/zinc/11/43/54/583114354.db2.gz	QZJOEWJHPDTUAY-UHFFFAOYSA-N	-1	1	325.354	-0.745	20	30		EBEDMM
O=c1nc(NN=Cc2cn(Cc3cccnc3)nn2)nc2[nH][n-]cc1-2	ZINC000783841800	583482292	/nfs/dbraw/zinc/48/22/92/583482292.db2.gz	LWIHNWRJJRRBAW-UHFFFAOYSA-N	-1	1	336.319	-0.087	20	30		EBEDMM
C#CCn1ccc(CN(CC)C(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC000790119315	583542050	/nfs/dbraw/zinc/54/20/50/583542050.db2.gz	RTTHRCREIFHVHM-UHFFFAOYSA-N	-1	1	329.360	-0.195	20	30		EBEDMM
CC#CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000823937165	583839130	/nfs/dbraw/zinc/83/91/30/583839130.db2.gz	KTOXTWICTKTBNR-NSHDSACASA-N	-1	1	341.379	-0.100	20	30		EBEDMM
CC#CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000823937165	583839132	/nfs/dbraw/zinc/83/91/32/583839132.db2.gz	KTOXTWICTKTBNR-NSHDSACASA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C#CCN1CCN(C(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)CC1	ZINC000825620127	583864556	/nfs/dbraw/zinc/86/45/56/583864556.db2.gz	WURFYSVUYGIWPG-OAHLLOKOSA-N	-1	1	337.420	-0.281	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCNC(=O)OCC(F)(F)F	ZINC000826382732	583895717	/nfs/dbraw/zinc/89/57/17/583895717.db2.gz	RYOWLHHXXJTQGZ-UHFFFAOYSA-N	-1	1	345.245	-0.194	20	30		EBEDMM
N#C[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826380456	583895732	/nfs/dbraw/zinc/89/57/32/583895732.db2.gz	AYXKHKIJVRMWID-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#C[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826380456	583895734	/nfs/dbraw/zinc/89/57/34/583895734.db2.gz	AYXKHKIJVRMWID-QMMMGPOBSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
C#CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1	ZINC000844045551	584086873	/nfs/dbraw/zinc/08/68/73/584086873.db2.gz	LHJSOFOBHQLDQF-UHFFFAOYSA-N	-1	1	339.373	-0.471	20	30		EBEDMM
C=CCN1CC(N2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC2)C1	ZINC000941639425	652849930	/nfs/dbraw/zinc/84/99/30/652849930.db2.gz	ROVGHRLJCSZWSH-UHFFFAOYSA-N	-1	1	343.391	-0.954	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951781831	654280316	/nfs/dbraw/zinc/28/03/16/654280316.db2.gz	KMRCEDCFABFUBD-OLZOCXBDSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000951867658	654323962	/nfs/dbraw/zinc/32/39/62/654323962.db2.gz	JLPINFDPYZFCMX-NXEZZACHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000965899886	724536308	/nfs/dbraw/zinc/53/63/08/724536308.db2.gz	IFLNYGADXFASQC-ZWNOBZJWSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000956188865	720394828	/nfs/dbraw/zinc/39/48/28/720394828.db2.gz	MFGZPKDINRIQFU-UWVGGRQHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000958468483	722371669	/nfs/dbraw/zinc/37/16/69/722371669.db2.gz	YKPFPHSOBOLJRW-WCQYABFASA-N	-1	1	329.360	-0.932	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)nc1	ZINC000962328658	723228298	/nfs/dbraw/zinc/22/82/98/723228298.db2.gz	CUIDYVWDBXFOOV-JYAVWHMHSA-N	-1	1	338.371	-0.655	20	30		EBEDMM
C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969527193	725188734	/nfs/dbraw/zinc/18/87/34/725188734.db2.gz	VUILBWLDLFARFS-SECBINFHSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CCN(CC#N)CC1	ZINC000997833429	726466965	/nfs/dbraw/zinc/46/69/65/726466965.db2.gz	TVUBDKLAGIHJRE-JTQLQIEISA-N	-1	1	329.364	-0.229	20	30		EBEDMM
O=C(C#CC1CC1)N1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001003320572	726669694	/nfs/dbraw/zinc/66/96/94/726669694.db2.gz	WAJDFWNMSZFPRJ-UHFFFAOYSA-N	-1	1	340.343	-0.981	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001007138961	726789507	/nfs/dbraw/zinc/78/95/07/726789507.db2.gz	GAAOZEXGNPZKBH-NSHDSACASA-N	-1	1	329.364	-0.297	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)C#CC2CC2)CC1	ZINC001011108986	727209352	/nfs/dbraw/zinc/20/93/52/727209352.db2.gz	HEVFVXFWJJTPOR-UHFFFAOYSA-N	-1	1	346.343	-0.406	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)nc1	ZINC001051907887	735458026	/nfs/dbraw/zinc/45/80/26/735458026.db2.gz	CGZJUPCLJVHYCV-GFCCVEGCSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC001017489961	728580680	/nfs/dbraw/zinc/58/06/80/728580680.db2.gz	WTDATVKFFCPORV-BETUJISGSA-N	-1	1	341.375	-0.203	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC001032362803	730845217	/nfs/dbraw/zinc/84/52/17/730845217.db2.gz	UZJMLCJMFQINOT-RYUDHWBXSA-N	-1	1	327.348	-0.593	20	30		EBEDMM
N#CCN1CCC2(C1)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2	ZINC001035238280	731200021	/nfs/dbraw/zinc/20/00/21/731200021.db2.gz	OKOJFOHFUBUMHE-UHFFFAOYSA-N	-1	1	345.403	-0.235	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038808920	731379160	/nfs/dbraw/zinc/37/91/60/731379160.db2.gz	VLDPFUVIUGYLNP-OBJOEFQTSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042742334	732561601	/nfs/dbraw/zinc/56/16/01/732561601.db2.gz	MALYAWLGVHIQTA-OLZOCXBDSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
Cc1cc(C#N)nc(N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001043918269	733198815	/nfs/dbraw/zinc/19/88/15/733198815.db2.gz	POYMYYQBFHXSQC-YPMHNXCESA-N	-1	1	340.343	-0.263	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001044199390	733325557	/nfs/dbraw/zinc/32/55/57/733325557.db2.gz	MZYOQKDETPPWAQ-UHFFFAOYSA-N	-1	1	326.360	-0.559	20	30		EBEDMM
C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051208177	735099213	/nfs/dbraw/zinc/09/92/13/735099213.db2.gz	ACJLBHFYTTYZPK-NSHDSACASA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C=CCN1CC2(C1)C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CO2	ZINC001053982034	736132367	/nfs/dbraw/zinc/13/23/67/736132367.db2.gz	BMRKBFQXTZEWIX-VIFPVBQESA-N	-1	1	336.348	-0.345	20	30		EBEDMM
N#Cc1nccnc1N1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001067665477	740178158	/nfs/dbraw/zinc/17/81/58/740178158.db2.gz	OQAKJKWPFVZATR-GWCFXTLKSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001067666283	740179759	/nfs/dbraw/zinc/17/97/59/740179759.db2.gz	ZUGGLIONHCFYHG-MFKMUULPSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
Cc1n[nH]c(C(=O)NCc2n[nH]c([C@@H]3COCCN3CC#N)n2)c1[O-]	ZINC001070583124	740876503	/nfs/dbraw/zinc/87/65/03/740876503.db2.gz	DUEFDTMBXKKUNL-VIFPVBQESA-N	-1	1	346.351	-0.631	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1	ZINC001070648801	740908693	/nfs/dbraw/zinc/90/86/93/740908693.db2.gz	XYDBBMMYYRJAKT-GFCCVEGCSA-N	-1	1	344.371	-0.353	20	30		EBEDMM
CC#CCN1CC[C@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@H](C)O2	ZINC001071186882	741081133	/nfs/dbraw/zinc/08/11/33/741081133.db2.gz	XUAHKLJFYADZMK-ZBEGNZNMSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C	ZINC001071953074	741263744	/nfs/dbraw/zinc/26/37/44/741263744.db2.gz	UTAVBNDEEISHKJ-VXGBXAGGSA-N	-1	1	344.371	-0.497	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC001072392439	741388134	/nfs/dbraw/zinc/38/81/34/741388134.db2.gz	BMJMGCDZUFYRIJ-QWHCGFSZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CN(CC#N)CCCO1	ZINC001073859186	741767138	/nfs/dbraw/zinc/76/71/38/741767138.db2.gz	CLURBWBHQYYLQQ-SECBINFHSA-N	-1	1	337.336	-0.759	20	30		EBEDMM
C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]21	ZINC001074383081	741921944	/nfs/dbraw/zinc/92/19/44/741921944.db2.gz	VDWKBDUFPINRGZ-QWHCGFSZSA-N	-1	1	344.375	-0.481	20	30		EBEDMM
C=CCCC(=O)NCC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001075882798	742320306	/nfs/dbraw/zinc/32/03/06/742320306.db2.gz	KDVBWZGDIJBKND-LBPRGKRZSA-N	-1	1	336.392	-0.096	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-]	ZINC001076218983	742408874	/nfs/dbraw/zinc/40/88/74/742408874.db2.gz	OHQJJOAWJFDZHL-NSHDSACASA-N	-1	1	332.360	-0.449	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077488324	743013208	/nfs/dbraw/zinc/01/32/08/743013208.db2.gz	LZMGZFGBGOOEAL-IUCAKERBSA-N	-1	1	331.336	-0.798	20	30		EBEDMM
Cn1[n-]c(CN2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1=O	ZINC000980917497	806043535	/nfs/dbraw/zinc/04/35/35/806043535.db2.gz	NZKPDBAXHOMYQX-UHFFFAOYSA-N	-1	1	329.364	-0.344	20	30		EBEDMM
C=CCn1cc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)nn1	ZINC000990979083	809026273	/nfs/dbraw/zinc/02/62/73/809026273.db2.gz	SKZAGFZBOWBUIK-UHFFFAOYSA-N	-1	1	328.332	-0.181	20	30		EBEDMM
C#Cc1cncc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001008468337	810170120	/nfs/dbraw/zinc/17/01/20/810170120.db2.gz	KCASBRFRMZNSOB-AWEZNQCLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001015821147	810591825	/nfs/dbraw/zinc/59/18/25/810591825.db2.gz	RHOVLPLAFLJZEV-NSHDSACASA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001016027182	810656026	/nfs/dbraw/zinc/65/60/26/810656026.db2.gz	NJUPMTRLEAMVHK-ZDUSSCGKSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219686092	810797423	/nfs/dbraw/zinc/79/74/23/810797423.db2.gz	GCMTWIJVATYNMQ-OLZOCXBDSA-N	-1	1	335.408	-0.462	20	30		EBEDMM
C=C(C)CN1CCO[C@@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001035578026	810928758	/nfs/dbraw/zinc/92/87/58/810928758.db2.gz	SMCLPUAWGCKRBV-NSHDSACASA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC001079592748	811599179	/nfs/dbraw/zinc/59/91/79/811599179.db2.gz	WQEVACMBBBEPAT-BXKDBHETSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222603764	811646836	/nfs/dbraw/zinc/64/68/36/811646836.db2.gz	WPMJAUXGYXDYCW-IGCXYCKISA-N	-1	1	349.435	-0.142	20	30		EBEDMM
C=CC[C@H](C=C)Oc1[nH]c(=O)[nH]c(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227475586	811924714	/nfs/dbraw/zinc/92/47/14/811924714.db2.gz	IMHPUEZMZSNXLN-LURJTMIESA-N	-1	1	347.287	-0.164	20	30		EBEDMM
O=C1[N-]C(=O)C(=Nc2c(=O)[nH]c(=O)[nH]c2OC2CC=CC2)C(=O)N1	ZINC001227473397	811924771	/nfs/dbraw/zinc/92/47/71/811924771.db2.gz	JYHKRHOOQOLUGL-UHFFFAOYSA-N	-1	1	333.260	-0.576	20	30		EBEDMM
N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncccc2[O-])C1	ZINC001230450416	812144001	/nfs/dbraw/zinc/14/40/01/812144001.db2.gz	ZDAAKSBMGTUDOZ-NSHDSACASA-N	-1	1	338.389	-0.470	20	30		EBEDMM
C#Cc1ccc(C(=O)NCCN(CC)Cc2nc(=O)n(C)[n-]2)nc1	ZINC001266427923	813566320	/nfs/dbraw/zinc/56/63/20/813566320.db2.gz	FQQAMRDTZXLWBZ-UHFFFAOYSA-N	-1	1	328.376	-0.263	20	30		EBEDMM
C=C(C)CN1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O	ZINC001269577643	814735355	/nfs/dbraw/zinc/73/53/55/814735355.db2.gz	MFAUKYBUHJDIPN-CHWSQXEVSA-N	-1	1	326.307	-0.581	20	30		EBEDMM
N#CCC1CN(C(=O)[C@H]2CC23CCN(C(=O)Cc2nn[n-]n2)CC3)C1	ZINC001270787973	815891302	/nfs/dbraw/zinc/89/13/02/815891302.db2.gz	CMLQSQAZSUPMBH-GFCCVEGCSA-N	-1	1	343.391	-0.257	20	30		EBEDMM
C=CCN1CC[C@@H](N2CC(O)(CNC(=O)c3ncccc3[O-])C2)C1=O	ZINC001271276368	816058125	/nfs/dbraw/zinc/05/81/25/816058125.db2.gz	PLBFAJDPLDOGMA-GFCCVEGCSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001085823524	816158571	/nfs/dbraw/zinc/15/85/71/816158571.db2.gz	LLBLIHYYSLWFAW-UPJWGTAASA-N	-1	1	335.408	-0.268	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C2)nc1=O	ZINC001271959558	816272455	/nfs/dbraw/zinc/27/24/55/816272455.db2.gz	SFDDQBFZYKWCGA-KRWDZBQOSA-N	-1	1	349.435	-0.399	20	30		EBEDMM
C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)C(C)(C)C1	ZINC001276601793	817436056	/nfs/dbraw/zinc/43/60/56/817436056.db2.gz	SQIUOFXEQSASKM-GFCCVEGCSA-N	-1	1	345.403	-0.320	20	30		EBEDMM
C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c(C)nc[nH]c2=O)C(C)(C)C1	ZINC001276601794	817436529	/nfs/dbraw/zinc/43/65/29/817436529.db2.gz	SQIUOFXEQSASKM-LBPRGKRZSA-N	-1	1	345.403	-0.320	20	30		EBEDMM
C=CCC1(C(=O)NC[C@@]2(O)CCN(Cc3nc(=O)n(C)[n-]3)C2)CCC1	ZINC001278804834	817841325	/nfs/dbraw/zinc/84/13/25/817841325.db2.gz	FFUACGQDOJQXKM-KRWDZBQOSA-N	-1	1	349.435	-0.092	20	30		EBEDMM
C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001278878017	817881367	/nfs/dbraw/zinc/88/13/67/817881367.db2.gz	GNECIIWEXZBFOY-LBPRGKRZSA-N	-1	1	339.440	-0.038	20	30		EBEDMM
C=C1CCC(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001278903080	817888172	/nfs/dbraw/zinc/88/81/72/817888172.db2.gz	FJERHSKGWFGLQA-UHFFFAOYSA-N	-1	1	335.408	-0.482	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1nccnc1C#N	ZINC001094502566	818278202	/nfs/dbraw/zinc/27/82/02/818278202.db2.gz	QTHJQUKKJHOLKK-UHFFFAOYSA-N	-1	1	345.319	-0.210	20	30		EBEDMM
C=CCN1CCC(CO)(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1	ZINC001281806322	818283069	/nfs/dbraw/zinc/28/30/69/818283069.db2.gz	HZMHUXOLODEYPS-UHFFFAOYSA-N	-1	1	337.380	-0.656	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1cncc(C#N)n1	ZINC001097950346	819061674	/nfs/dbraw/zinc/06/16/74/819061674.db2.gz	NMYZDPGOKBRFSC-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C#CCN[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C(F)(F)F	ZINC001099337420	819453414	/nfs/dbraw/zinc/45/34/14/819453414.db2.gz	VOBYVOXSAZHFPW-HTQZYQBOSA-N	-1	1	333.270	-0.699	20	30		EBEDMM
CC(C)C#CC(=O)N(C)CCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285366134	819556882	/nfs/dbraw/zinc/55/68/82/819556882.db2.gz	OCQWOYXIXNVKLX-UHFFFAOYSA-N	-1	1	344.375	-0.393	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ncccc2[O-])nc1	ZINC001285431532	819592505	/nfs/dbraw/zinc/59/25/05/819592505.db2.gz	LWSPPYKIQSGXEX-LBPRGKRZSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099849740	819778712	/nfs/dbraw/zinc/77/87/12/819778712.db2.gz	IVSRTOPQFMZMQX-NEPJUHHUSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099946948	819958269	/nfs/dbraw/zinc/95/82/69/819958269.db2.gz	NVYXLWUTHQRCCB-NWDGAFQWSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
CC#CCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099962186	819966341	/nfs/dbraw/zinc/96/63/41/819966341.db2.gz	KYHYENGKZVAMJG-CHWSQXEVSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
CN(CCNc1ccc(C#N)nn1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686752	820879642	/nfs/dbraw/zinc/87/96/42/820879642.db2.gz	JDXGLUUZWCNTFI-UHFFFAOYSA-N	-1	1	343.347	-0.841	20	30		EBEDMM
CN(CCNc1nccnc1C#N)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001101699142	820884229	/nfs/dbraw/zinc/88/42/29/820884229.db2.gz	LBKOSHVAGKEEME-UHFFFAOYSA-N	-1	1	339.319	-0.737	20	30		EBEDMM
Cc1cc(NC[C@@H](O)CNC(=O)c2ncccc2[O-])c(C#N)cn1	ZINC001105802222	821873849	/nfs/dbraw/zinc/87/38/49/821873849.db2.gz	IURMSRXYKABHFT-GFCCVEGCSA-N	-1	1	327.344	-0.013	20	30		EBEDMM
C[C@H](CNc1ncccc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107843949	823997085	/nfs/dbraw/zinc/99/70/85/823997085.db2.gz	RWGVDADJUYMEEN-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C[C@H](CNc1ccncc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001107843754	823997474	/nfs/dbraw/zinc/99/74/74/823997474.db2.gz	NMASJTPMMSCUBW-SECBINFHSA-N	-1	1	338.331	-0.663	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@]1(C)CN(CC#N)CCO1	ZINC001108341169	824229502	/nfs/dbraw/zinc/22/95/02/824229502.db2.gz	UCWIWVLWKPBHBM-CQSZACIVSA-N	-1	1	337.336	-0.759	20	30		EBEDMM
N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001111066532	824894598	/nfs/dbraw/zinc/89/45/98/824894598.db2.gz	UROGDXAOSGSWMY-INIZCTEOSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
N#C[C@]12CN(C(=O)C(=O)c3ccc([O-])cc3)C[C@H]1CS(=O)(=O)C2	ZINC001179650612	832997233	/nfs/dbraw/zinc/99/72/33/832997233.db2.gz	HACUHOUJTYXTPR-XHDPSFHLSA-N	-1	1	334.353	-0.028	20	30		EBEDMM
C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113995561	826108869	/nfs/dbraw/zinc/10/88/69/826108869.db2.gz	FFNIPEIYNSTVBV-NMKXLXIOSA-N	-1	1	335.408	-0.364	20	30		EBEDMM
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1nonc1N	ZINC001184175202	833322692	/nfs/dbraw/zinc/32/26/92/833322692.db2.gz	YPZGYVQCYJPFSX-LURJTMIESA-N	-1	1	344.328	-0.265	20	30		EBEDMM
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-][C@@H](C#N)C(N)=O)CC1	ZINC001185779391	833369823	/nfs/dbraw/zinc/36/98/23/833369823.db2.gz	BNEPVSHFJILGHZ-JTQLQIEISA-N	-1	1	346.409	-0.317	20	30		EBEDMM
C[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1CNCC#N	ZINC001133171479	829596794	/nfs/dbraw/zinc/59/67/94/829596794.db2.gz	ZKAMKQJSGNMABO-OLZOCXBDSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143659498	830154416	/nfs/dbraw/zinc/15/44/16/830154416.db2.gz	XKFYXIUERXEIEB-ZYHUDNBSSA-N	-1	1	346.347	-0.170	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1	ZINC001147346568	830325641	/nfs/dbraw/zinc/32/56/41/830325641.db2.gz	UHFXGJWXNJLIAQ-LBPRGKRZSA-N	-1	1	345.403	-0.290	20	30		EBEDMM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001211683618	837452738	/nfs/dbraw/zinc/45/27/38/837452738.db2.gz	LFSYUHIZVVWUAD-MWLCHTKSSA-N	-1	1	329.378	-0.255	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001160131717	831817929	/nfs/dbraw/zinc/81/79/29/831817929.db2.gz	TTZIVJQNMOMWQS-ZDUSSCGKSA-N	-1	1	347.419	-0.215	20	30		EBEDMM
CC(C)C#CC(=O)NCC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001355134370	832548394	/nfs/dbraw/zinc/54/83/94/832548394.db2.gz	FZSIBJWIKWXLNL-LLVKDONJSA-N	-1	1	344.375	-0.298	20	30		EBEDMM
COCC#CCN1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1	ZINC001188744033	834083174	/nfs/dbraw/zinc/08/31/74/834083174.db2.gz	JHYOUQUDPSYEBF-GXTWGEPZSA-N	-1	1	346.387	-0.718	20	30		EBEDMM
C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)n[n-]2)C1=O	ZINC001189701074	834180753	/nfs/dbraw/zinc/18/07/53/834180753.db2.gz	CDJNAFZNGRULJZ-SNVBAGLBSA-N	-1	1	342.377	-0.396	20	30		EBEDMM
C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)[n-]n2)C1=O	ZINC001189701074	834180755	/nfs/dbraw/zinc/18/07/55/834180755.db2.gz	CDJNAFZNGRULJZ-SNVBAGLBSA-N	-1	1	342.377	-0.396	20	30		EBEDMM
COCC#CCN(C)[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001191120493	834416710	/nfs/dbraw/zinc/41/67/10/834416710.db2.gz	VFAOXHBERNOSJG-GFCCVEGCSA-N	-1	1	349.391	-0.602	20	30		EBEDMM
CS(=O)(=O)c1cncc(C(=O)N([O-])C(=N)c2nonc2N)c1	ZINC001194120955	835030340	/nfs/dbraw/zinc/03/03/40/835030340.db2.gz	FSBMEXQQQLLSFM-UHFFFAOYSA-N	-1	1	326.294	-0.693	20	30		EBEDMM
CS(=O)(=O)c1ccc(C(=O)N([O-])C(=N)c2nonc2N)nc1	ZINC001196701162	835449122	/nfs/dbraw/zinc/44/91/22/835449122.db2.gz	SDJGDBHLFWWBHR-UHFFFAOYSA-N	-1	1	326.294	-0.693	20	30		EBEDMM
C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001196726351	835454527	/nfs/dbraw/zinc/45/45/27/835454527.db2.gz	SEWOQQHUBKPHJV-CHWSQXEVSA-N	-1	1	347.375	-1.000	20	30		EBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001319541456	838146219	/nfs/dbraw/zinc/14/62/19/838146219.db2.gz	UGIHDERIZNXIBB-PWSUYJOCSA-N	-1	1	338.412	-0.082	20	30		EBEDMM
CC(C)C(C#N)=CN[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001320026357	838213659	/nfs/dbraw/zinc/21/36/59/838213659.db2.gz	FPVHQTDXGVXYIS-VIFPVBQESA-N	-1	1	327.366	-0.856	20	30		EBEDMM
C[C@]1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCCN(CC#N)C1	ZINC001324971992	839745954	/nfs/dbraw/zinc/74/59/54/839745954.db2.gz	NACSFEJRLZNCDF-MRXNPFEDSA-N	-1	1	333.392	-0.331	20	30		EBEDMM
C#C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCOCC1	ZINC001328283146	840642326	/nfs/dbraw/zinc/64/23/26/840642326.db2.gz	QNUMCDFAYOLWGK-ZDUSSCGKSA-N	-1	1	341.371	-0.175	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001334251620	842018998	/nfs/dbraw/zinc/01/89/98/842018998.db2.gz	DHSVYQMPJWUJKU-CYBMUJFWSA-N	-1	1	348.403	-0.451	20	30		EBEDMM
C#CCN1CCN(c2nnc(-c3noc(=O)[n-]3)n2CC2CC2)CC1	ZINC001345916607	843462229	/nfs/dbraw/zinc/46/22/29/843462229.db2.gz	XJIYWBSMSQULHL-UHFFFAOYSA-N	-1	1	329.364	-0.213	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573285442	946777930	/nfs/dbraw/zinc/77/79/30/946777930.db2.gz	ICNJCESOYWHWBZ-QWRGUYRKSA-N	-1	1	342.363	-0.870	20	30		EBEDMM
CC(=O)N[C@H](CC(C)C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001573542353	946797398	/nfs/dbraw/zinc/79/73/98/946797398.db2.gz	HSVGWQZZPDPKOS-MRVPVSSYSA-N	-1	1	331.340	-0.049	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573560545	946953087	/nfs/dbraw/zinc/95/30/87/946953087.db2.gz	CZZFBHNYJJDLBM-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573560808	946956414	/nfs/dbraw/zinc/95/64/14/946956414.db2.gz	GIRVVCZGLJTPAW-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573560808	946956422	/nfs/dbraw/zinc/95/64/22/946956422.db2.gz	GIRVVCZGLJTPAW-BDAKNGLRSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573562336	946974671	/nfs/dbraw/zinc/97/46/71/946974671.db2.gz	SLVRCFWXNAQSFJ-KOLCDFICSA-N	-1	1	341.379	-0.113	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573564182	946989289	/nfs/dbraw/zinc/98/92/89/946989289.db2.gz	HLFIXZOEDXUPAS-SNVBAGLBSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571763	947102629	/nfs/dbraw/zinc/10/26/29/947102629.db2.gz	APPNETDTUXNKMR-YMTOWFKASA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573571957	947106573	/nfs/dbraw/zinc/10/65/73/947106573.db2.gz	BVFXKKXCJNWLPW-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573571957	947106578	/nfs/dbraw/zinc/10/65/78/947106578.db2.gz	BVFXKKXCJNWLPW-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573574336	947127997	/nfs/dbraw/zinc/12/79/97/947127997.db2.gz	RHHKGGFYVIGBFW-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573574336	947128002	/nfs/dbraw/zinc/12/80/02/947128002.db2.gz	RHHKGGFYVIGBFW-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573577370	947165999	/nfs/dbraw/zinc/16/59/99/947165999.db2.gz	ONDPPYNWCCFPGD-VHSXEESVSA-N	-1	1	329.368	-0.209	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573583466	947205306	/nfs/dbraw/zinc/20/53/06/947205306.db2.gz	MGUKXQMJIRBGFJ-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573583466	947205314	/nfs/dbraw/zinc/20/53/14/947205314.db2.gz	MGUKXQMJIRBGFJ-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC001573585526	947259761	/nfs/dbraw/zinc/25/97/61/947259761.db2.gz	RQMXEHCTTVZMSX-OPRDCNLKSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC001573585526	947259771	/nfs/dbraw/zinc/25/97/71/947259771.db2.gz	RQMXEHCTTVZMSX-OPRDCNLKSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C	ZINC001573586405	947289414	/nfs/dbraw/zinc/28/94/14/947289414.db2.gz	PPQRZMDWHAEEDL-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C	ZINC001573586405	947289423	/nfs/dbraw/zinc/28/94/23/947289423.db2.gz	PPQRZMDWHAEEDL-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21	ZINC001573586930	947296057	/nfs/dbraw/zinc/29/60/57/947296057.db2.gz	UQMIDZLMGUHPHF-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21	ZINC001573586930	947296074	/nfs/dbraw/zinc/29/60/74/947296074.db2.gz	UQMIDZLMGUHPHF-XBWDGYHZSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1	ZINC001570925683	948674242	/nfs/dbraw/zinc/67/42/42/948674242.db2.gz	MYCNLUTWEBCWEQ-UTLUCORTSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
CC(=O)N1CCN(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001570940070	949166029	/nfs/dbraw/zinc/16/60/29/949166029.db2.gz	KEBXOBJIHBYAHD-UHFFFAOYSA-N	-1	1	342.367	-0.896	20	30		EBEDMM
CC(=O)N1CCN(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001570940070	949166046	/nfs/dbraw/zinc/16/60/46/949166046.db2.gz	KEBXOBJIHBYAHD-UHFFFAOYSA-N	-1	1	342.367	-0.896	20	30		EBEDMM
C[C@@]1(C#N)CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575524021	949309321	/nfs/dbraw/zinc/30/93/21/949309321.db2.gz	GGWDCWUOOFBJSM-AWEZNQCLSA-N	-1	1	344.335	-0.719	20	30		EBEDMM
COC[C@@]1(C(=O)[O-])CN(C[C@@H](O)CC2(C#N)CCOCC2)CCO1	ZINC001593986162	956783092	/nfs/dbraw/zinc/78/30/92/956783092.db2.gz	OUHRTZPSBGNALL-XJKSGUPXSA-N	-1	1	342.392	-0.140	20	30		EBEDMM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC001588622981	983726043	/nfs/dbraw/zinc/72/60/43/983726043.db2.gz	IDJMNJKBMKYYKK-CQSZACIVSA-N	-1	1	325.409	-0.070	20	30		EBEDMM
C=CCOCCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001588867099	984430429	/nfs/dbraw/zinc/43/04/29/984430429.db2.gz	XJFCCWBMFHKAPT-UHFFFAOYSA-N	-1	1	341.408	-0.297	20	30		EBEDMM
COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC001598824178	996363183	/nfs/dbraw/zinc/36/31/83/996363183.db2.gz	YZWSDLRUPROSLJ-UONOGXRCSA-N	-1	1	345.355	-0.020	20	30		EBEDMM
N#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001670697582	1125813333	/nfs/dbraw/zinc/81/33/33/1125813333.db2.gz	ZXPFPFRERISICA-NSHDSACASA-N	-1	1	344.375	-0.497	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001484675292	1126617764	/nfs/dbraw/zinc/61/77/64/1126617764.db2.gz	WAXFAHGMCLDVBJ-QMTHXVAHSA-N	-1	1	325.369	-0.846	20	30		EBEDMM
Cc1[nH]nc(C(=O)N2CCC[C@H](CN(C)CC(=O)NCC#N)C2)c1[O-]	ZINC001490756934	1129253678	/nfs/dbraw/zinc/25/36/78/1129253678.db2.gz	ZXISUNCTIWOHKX-GFCCVEGCSA-N	-1	1	348.407	-0.153	20	30		EBEDMM
C=CC(C)(C)CC(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356776949	1130935202	/nfs/dbraw/zinc/93/52/02/1130935202.db2.gz	JMYNHLKFEDYGLP-UHFFFAOYSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=CCCCC(=O)N1CC(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356822947	1130961613	/nfs/dbraw/zinc/96/16/13/1130961613.db2.gz	LUPXSAKMCFHWAV-UHFFFAOYSA-N	-1	1	348.403	-0.142	20	30		EBEDMM
Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC001364045701	1132181552	/nfs/dbraw/zinc/18/15/52/1132181552.db2.gz	OLZVALZZMUNUGJ-SNVBAGLBSA-N	-1	1	325.325	-0.162	20	30		EBEDMM
CN1CC[C@@H](N2CCC(Nc3[n-]c(=O)n(C)c(=O)c3C#N)CC2)C1=O	ZINC001364206381	1132236046	/nfs/dbraw/zinc/23/60/46/1132236046.db2.gz	XBLKVBHXKBZEMM-GFCCVEGCSA-N	-1	1	346.391	-0.948	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1CCC(OC)CC1)C(=O)OC	ZINC000594773477	377953315	/nfs/dbraw/zinc/95/33/15/377953315.db2.gz	YSACJXPWRMYCJO-LBPRGKRZSA-N	-1	1	336.410	-0.324	20	30		EBEDMM
C=C(C)COCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000355469808	380195584	/nfs/dbraw/zinc/19/55/84/380195584.db2.gz	IFVQGHSJEGCENU-UHFFFAOYSA-N	-1	1	345.377	-0.634	20	30		EBEDMM
C#CCNC(=O)CN1CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1	ZINC000280770555	380938665	/nfs/dbraw/zinc/93/86/65/380938665.db2.gz	BQLFTKJCFSUJJB-UHFFFAOYSA-N	-1	1	343.383	-0.141	20	30		EBEDMM
CCC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000610257875	381071649	/nfs/dbraw/zinc/07/16/49/381071649.db2.gz	CVLHYRUZDDPQNZ-MRVPVSSYSA-N	-1	1	328.350	-0.535	20	30		EBEDMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C#N)c1	ZINC000610339543	381115376	/nfs/dbraw/zinc/11/53/76/381115376.db2.gz	ZKMSODVFVDNVDD-JTQLQIEISA-N	-1	1	348.384	-0.005	20	30		EBEDMM
N#Cc1ccc(CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c(F)c1	ZINC000517756340	420892538	/nfs/dbraw/zinc/89/25/38/420892538.db2.gz	DQQQUQLNIGOGNC-CYBMUJFWSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(S(N)(=O)=O)c1	ZINC000731154949	582834899	/nfs/dbraw/zinc/83/48/99/582834899.db2.gz	LIHFEARCVFNGJZ-UHFFFAOYSA-N	-1	1	347.360	-0.085	20	30		EBEDMM
CN(C)c1c(C=[NH+][N-]c2ccc(C(=O)[O-])cn2)c(=O)n(C)c(=O)n1C	ZINC000807981872	583664757	/nfs/dbraw/zinc/66/47/57/583664757.db2.gz	OAFZQMWEODNXQL-UHFFFAOYSA-N	-1	1	346.347	-0.311	20	30		EBEDMM
C#CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819697558	583759797	/nfs/dbraw/zinc/75/97/97/583759797.db2.gz	HVUXMNLIUORGBD-NSHDSACASA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C#CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819697558	583759800	/nfs/dbraw/zinc/75/98/00/583759800.db2.gz	HVUXMNLIUORGBD-NSHDSACASA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819751070	583760501	/nfs/dbraw/zinc/76/05/01/583760501.db2.gz	OGWMZBKTHLROCP-NSHDSACASA-N	-1	1	343.395	-0.531	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819751070	583760505	/nfs/dbraw/zinc/76/05/05/583760505.db2.gz	OGWMZBKTHLROCP-NSHDSACASA-N	-1	1	343.395	-0.531	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000820011063	583764955	/nfs/dbraw/zinc/76/49/55/583764955.db2.gz	HENUHRZLDAEBDP-NSHDSACASA-N	-1	1	344.383	-0.849	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC1	ZINC000824185029	583842252	/nfs/dbraw/zinc/84/22/52/583842252.db2.gz	PUAFYOLWZLGBLX-GFCCVEGCSA-N	-1	1	343.395	-0.244	20	30		EBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC1	ZINC000824185029	583842253	/nfs/dbraw/zinc/84/22/53/583842253.db2.gz	PUAFYOLWZLGBLX-GFCCVEGCSA-N	-1	1	343.395	-0.244	20	30		EBEDMM
CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000848956679	584164489	/nfs/dbraw/zinc/16/44/89/584164489.db2.gz	BYZPZDUDYSMLRW-UHFFFAOYSA-N	-1	1	348.406	-0.092	20	30		EBEDMM
C#CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1	ZINC000862568021	584351536	/nfs/dbraw/zinc/35/15/36/584351536.db2.gz	RTJVTEWYULRJEA-JTQLQIEISA-N	-1	1	339.373	-0.471	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000938311119	652189165	/nfs/dbraw/zinc/18/91/65/652189165.db2.gz	HAFLRRRXGGQBNY-JTQLQIEISA-N	-1	1	346.343	-0.360	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000941668863	652870393	/nfs/dbraw/zinc/87/03/93/652870393.db2.gz	JCMKAKKOTYJNSW-JTQLQIEISA-N	-1	1	343.347	-0.748	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224615	654425685	/nfs/dbraw/zinc/42/56/85/654425685.db2.gz	JIVBGKHWNSVAAZ-JTQLQIEISA-N	-1	1	344.375	-0.040	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1	ZINC000954828577	719923993	/nfs/dbraw/zinc/92/39/93/719923993.db2.gz	QKRUTDFGLTYMSK-UHFFFAOYSA-N	-1	1	346.343	-0.407	20	30		EBEDMM
C#Cc1ccc(C(=O)N(CC)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC000957289929	722189944	/nfs/dbraw/zinc/18/99/44/722189944.db2.gz	JTJKPBCVDMVAIN-UHFFFAOYSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000958468484	722371795	/nfs/dbraw/zinc/37/17/95/722371795.db2.gz	YKPFPHSOBOLJRW-YPMHNXCESA-N	-1	1	329.360	-0.932	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC000970702188	725318894	/nfs/dbraw/zinc/31/88/94/725318894.db2.gz	LUFOWIAONVPNGG-RFHZTLPTSA-N	-1	1	347.371	-0.320	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC000972373986	725510627	/nfs/dbraw/zinc/51/06/27/725510627.db2.gz	PABSDXVYVIXNDZ-XQQFMLRXSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2	ZINC000972639648	725568801	/nfs/dbraw/zinc/56/88/01/725568801.db2.gz	VTMGLAQFDLVSAY-HNNXBMFYSA-N	-1	1	349.347	-0.663	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nc1=O	ZINC000973007529	725618131	/nfs/dbraw/zinc/61/81/31/725618131.db2.gz	YXEDNWQHTNVXFQ-GFCCVEGCSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
N#Cc1nccc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001051681606	735319753	/nfs/dbraw/zinc/31/97/53/735319753.db2.gz	GHVJKZGZILFKJP-CMPLNLGQSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC000992851440	725839787	/nfs/dbraw/zinc/83/97/87/725839787.db2.gz	HCAHFGLRIQITIX-QJPTWQEYSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
N#Cc1cnc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)cn1	ZINC001051682046	735320190	/nfs/dbraw/zinc/32/01/90/735320190.db2.gz	KYKPYEYNRPWEEN-WCQYABFASA-N	-1	1	340.343	-0.182	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)nn1	ZINC000996390399	726381122	/nfs/dbraw/zinc/38/11/22/726381122.db2.gz	UJWLEDYLZYXIME-LLVKDONJSA-N	-1	1	346.395	-0.072	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001001162413	726594632	/nfs/dbraw/zinc/59/46/32/726594632.db2.gz	FCFJOIMWCDYXPU-KGLIPLIRSA-N	-1	1	347.419	-0.052	20	30		EBEDMM
Cn1[n-]c(CN2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O	ZINC001001286225	726600798	/nfs/dbraw/zinc/60/07/98/726600798.db2.gz	NDHAVBOAHUNVFC-UHFFFAOYSA-N	-1	1	343.391	-0.050	20	30		EBEDMM
CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001018170216	728640955	/nfs/dbraw/zinc/64/09/55/728640955.db2.gz	SPXSCBJUYVDROQ-TXEJJXNPSA-N	-1	1	326.360	-0.270	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001028271194	730279363	/nfs/dbraw/zinc/27/93/63/730279363.db2.gz	BDGGXLCIRNDBHQ-CQSZACIVSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039579068	731449465	/nfs/dbraw/zinc/44/94/65/731449465.db2.gz	CRYYQPLTXCSJPP-IRXDYDNUSA-N	-1	1	349.387	-0.193	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001046251169	733896077	/nfs/dbraw/zinc/89/60/77/733896077.db2.gz	KBPCMDJKGHKBFZ-OAHLLOKOSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046631281	733986584	/nfs/dbraw/zinc/98/65/84/733986584.db2.gz	DPFNYQOKBUZYGD-WQGACYEGSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046631280	733986712	/nfs/dbraw/zinc/98/67/12/733986712.db2.gz	DPFNYQOKBUZYGD-BFQNTYOBSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
CC#CCN1CC2(C1)C[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981886	736132238	/nfs/dbraw/zinc/13/22/38/736132238.db2.gz	XOZXFCXJLSZXPU-NSHDSACASA-N	-1	1	342.359	-0.986	20	30		EBEDMM
N#CCSCC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057026919	736924499	/nfs/dbraw/zinc/92/44/99/736924499.db2.gz	QMKUVBSTTSVTFF-UHFFFAOYSA-N	-1	1	338.389	-0.405	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCC1	ZINC001064306752	739273615	/nfs/dbraw/zinc/27/36/15/739273615.db2.gz	PCKIVIMNSJAOMB-LLVKDONJSA-N	-1	1	347.375	-0.759	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001065154771	739565163	/nfs/dbraw/zinc/56/51/63/739565163.db2.gz	OGAHWOAJUUNOKS-CHWSQXEVSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
C#CCC[N@H+]1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)c2cnn[n-]2)[n-]1	ZINC001070359242	740795181	/nfs/dbraw/zinc/79/51/81/740795181.db2.gz	NKHWAJIVHCLRKI-JQWIXIFHSA-N	-1	1	344.379	-0.362	20	30		EBEDMM
CC#CC[N@H+]1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1	ZINC001070360385	740796078	/nfs/dbraw/zinc/79/60/78/740796078.db2.gz	SKVVGBMNLYFPBE-QWRGUYRKSA-N	-1	1	344.379	-0.362	20	30		EBEDMM
C#CC[N@H+]1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1	ZINC001070360118	740796242	/nfs/dbraw/zinc/79/62/42/740796242.db2.gz	LVECXEUNYMQAHF-UWVGGRQHSA-N	-1	1	330.352	-0.752	20	30		EBEDMM
CC#CCN1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C[C@@H](C)O2	ZINC001071186879	741081062	/nfs/dbraw/zinc/08/10/62/741081062.db2.gz	XUAHKLJFYADZMK-BDJLRTHQSA-N	-1	1	347.375	-0.389	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](C)C1	ZINC001071786612	741216344	/nfs/dbraw/zinc/21/63/44/741216344.db2.gz	GOBDOLDOSVHFHT-JQWIXIFHSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
C#CCCCC(=O)NCC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001076307518	742434337	/nfs/dbraw/zinc/43/43/37/742434337.db2.gz	NXCPWHQTIDFNEM-ZDUSSCGKSA-N	-1	1	348.403	-0.259	20	30		EBEDMM
C=CCN1C[C@@H]2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)[C@@H]2C1	ZINC001076371322	742451431	/nfs/dbraw/zinc/45/14/31/742451431.db2.gz	WCHOOEDXIPQFLX-WCQYABFASA-N	-1	1	328.376	-0.210	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N	ZINC001077488308	743013016	/nfs/dbraw/zinc/01/30/16/743013016.db2.gz	LNBOKLQPOHRFBG-SFYZADRCSA-N	-1	1	337.336	-0.319	20	30		EBEDMM
N#CCN[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C12CCC2	ZINC001078780667	743734149	/nfs/dbraw/zinc/73/41/49/743734149.db2.gz	PJIHOJSUCHZZMM-QWRGUYRKSA-N	-1	1	327.348	-0.428	20	30		EBEDMM
N#CCN[C@@H]1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C12CCC2	ZINC001078780665	743734284	/nfs/dbraw/zinc/73/42/84/743734284.db2.gz	PJIHOJSUCHZZMM-GHMZBOCLSA-N	-1	1	327.348	-0.428	20	30		EBEDMM
C#CCCCCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001217670143	810450284	/nfs/dbraw/zinc/45/02/84/810450284.db2.gz	TYGNJFCGMTZDCN-UONOGXRCSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
C=C(C)CCN1CCO[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001035466603	810822676	/nfs/dbraw/zinc/82/26/76/810822676.db2.gz	IQDWCPKWVVVXAY-GFCCVEGCSA-N	-1	1	336.392	-0.117	20	30		EBEDMM
CCC#C[C@@H](C)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227474061	811924598	/nfs/dbraw/zinc/92/45/98/811924598.db2.gz	VSCXZXHHFORJMD-ZCFIWIBFSA-N	-1	1	347.287	-0.493	20	30		EBEDMM
CCC#C[C@H](C)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227474060	811925055	/nfs/dbraw/zinc/92/50/55/811925055.db2.gz	VSCXZXHHFORJMD-LURJTMIESA-N	-1	1	347.287	-0.493	20	30		EBEDMM
C=CCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001081424786	812912666	/nfs/dbraw/zinc/91/26/66/812912666.db2.gz	JPAUTNJYBHRBRU-DGCLKSJQSA-N	-1	1	335.360	-0.461	20	30		EBEDMM
CC(C)C#CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081425994	812917977	/nfs/dbraw/zinc/91/79/77/812917977.db2.gz	YVQXFDDXPONPJF-JSGCOSHPSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C#CCN(CC#C)c1nnc(Cc2nnn[n-]2)n1C[C@@H]1CCCO1	ZINC001263437653	813112194	/nfs/dbraw/zinc/11/21/94/813112194.db2.gz	TVIFZCJSOQOMRK-LBPRGKRZSA-N	-1	1	326.364	-0.366	20	30		EBEDMM
C#CCN(CC#C)c1nnc(Cc2nn[n-]n2)n1C[C@@H]1CCCO1	ZINC001263437653	813112196	/nfs/dbraw/zinc/11/21/96/813112196.db2.gz	TVIFZCJSOQOMRK-LBPRGKRZSA-N	-1	1	326.364	-0.366	20	30		EBEDMM
N#CCCCN1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576374	814733689	/nfs/dbraw/zinc/73/36/89/814733689.db2.gz	JZQAZQNTBGFDDT-OAHLLOKOSA-N	-1	1	347.379	-0.877	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]2C1	ZINC001088169756	816640924	/nfs/dbraw/zinc/64/09/24/816640924.db2.gz	LZKYATMESCDKSD-MNOVXSKESA-N	-1	1	327.348	-0.665	20	30		EBEDMM
N#CCN[C@@H]1CCCCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001088414023	816679344	/nfs/dbraw/zinc/67/93/44/816679344.db2.gz	VGAJAWXNPGXFCI-LLVKDONJSA-N	-1	1	329.364	-0.084	20	30		EBEDMM
C=CCn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)nn1	ZINC001088907236	816760821	/nfs/dbraw/zinc/76/08/21/816760821.db2.gz	GKGCAPJMQRLZBO-MNOVXSKESA-N	-1	1	346.395	-0.721	20	30		EBEDMM
C=C1CCC(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001090548341	817529744	/nfs/dbraw/zinc/52/97/44/817529744.db2.gz	XGRQTMISFHORCW-ZIAGYGMSSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
C=CCN1CCC(F)(F)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001278752985	817810384	/nfs/dbraw/zinc/81/03/84/817810384.db2.gz	QWYFTKYLDZWTGH-VIFPVBQESA-N	-1	1	331.323	-0.051	20	30		EBEDMM
C=CCCCC(=O)N1CCN(C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001281589036	818226020	/nfs/dbraw/zinc/22/60/20/818226020.db2.gz	XLTWLRVRPULTPJ-UHFFFAOYSA-N	-1	1	348.451	-0.207	20	30		EBEDMM
N#Cc1nccnc1NCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001094498809	818276106	/nfs/dbraw/zinc/27/61/06/818276106.db2.gz	BBQUIDPJSIXOJH-UHFFFAOYSA-N	-1	1	343.347	-0.793	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1ccncc1C#N	ZINC001094502723	818278572	/nfs/dbraw/zinc/27/85/72/818278572.db2.gz	XIQKQCYBFCZKFG-UHFFFAOYSA-N	-1	1	344.331	-0.183	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)nc1=O	ZINC001099830624	819757603	/nfs/dbraw/zinc/75/76/03/819757603.db2.gz	VODGTQQILDXJBY-NEPJUHHUSA-N	-1	1	335.408	-0.791	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285829847	819780717	/nfs/dbraw/zinc/78/07/17/819780717.db2.gz	LDIIXGAQAPGYJY-GHMZBOCLSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001100020779	820047762	/nfs/dbraw/zinc/04/77/62/820047762.db2.gz	SGRUQSFXARGLLI-NEPJUHHUSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C=CCCC(=O)N[C@@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001287661127	820091744	/nfs/dbraw/zinc/09/17/44/820091744.db2.gz	GJTHDPRNTGHFAA-LBPRGKRZSA-N	-1	1	336.392	-0.144	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297112326	821324525	/nfs/dbraw/zinc/32/45/25/821324525.db2.gz	NDMGXSHEPRKIDR-UHFFFAOYSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=CCCC(=O)N(C)CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001298044792	821439147	/nfs/dbraw/zinc/43/91/47/821439147.db2.gz	VIVUTPZYDJUTBO-UHFFFAOYSA-N	-1	1	336.392	-0.190	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001298763911	821594509	/nfs/dbraw/zinc/59/45/09/821594509.db2.gz	YDTLYBYXVVDWHI-LBPRGKRZSA-N	-1	1	334.376	-0.649	20	30		EBEDMM
C=CCOCC(=O)NC[C@@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107811891	823976136	/nfs/dbraw/zinc/97/61/36/823976136.db2.gz	UTDZNUJQABYFNQ-HNNXBMFYSA-N	-1	1	339.396	-0.982	20	30		EBEDMM
C[C@]1(CNC(=O)c2ncccc2[O-])CN(CC(=O)NCC#N)CCO1	ZINC001107889774	824020107	/nfs/dbraw/zinc/02/01/07/824020107.db2.gz	DANIMQFOZQNNRO-INIZCTEOSA-N	-1	1	347.375	-0.752	20	30		EBEDMM
C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461532	824295295	/nfs/dbraw/zinc/29/52/95/824295295.db2.gz	WBKORKISXACFPC-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2	ZINC001109175356	824496981	/nfs/dbraw/zinc/49/69/81/824496981.db2.gz	HKWGJFOYLWDWPJ-WOPDTQHZSA-N	-1	1	329.360	-0.238	20	30		EBEDMM
C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110178334	824673053	/nfs/dbraw/zinc/67/30/53/824673053.db2.gz	YQZMYAGATIWILF-AGIUHOORSA-N	-1	1	335.408	-0.077	20	30		EBEDMM
N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001111066533	824894691	/nfs/dbraw/zinc/89/46/91/824894691.db2.gz	UROGDXAOSGSWMY-MRXNPFEDSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111728700	825304146	/nfs/dbraw/zinc/30/41/46/825304146.db2.gz	LGJJNYDBCVQYQW-ZLIFDBKOSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)nc1=O	ZINC001111740908	825306453	/nfs/dbraw/zinc/30/64/53/825306453.db2.gz	SZXDAKLXTBYKSX-GUYCJALGSA-N	-1	1	329.404	-0.008	20	30		EBEDMM
Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ncccc2[O-])n1	ZINC001121339176	827345971	/nfs/dbraw/zinc/34/59/71/827345971.db2.gz	GHQONEXTGHOHCK-NSHDSACASA-N	-1	1	328.332	-0.040	20	30		EBEDMM
CN(C)C1(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1	ZINC001182601754	833247268	/nfs/dbraw/zinc/24/72/68/833247268.db2.gz	MTMJKKAJXQDVGT-VIFPVBQESA-N	-1	1	341.370	-0.377	20	30		EBEDMM
CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ncccc1[O-]	ZINC001124329487	827816192	/nfs/dbraw/zinc/81/61/92/827816192.db2.gz	KIHHAFYINIEGGQ-JTQLQIEISA-N	-1	1	328.332	-0.006	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@@H]1CNCC#N	ZINC001185318203	833355516	/nfs/dbraw/zinc/35/55/16/833355516.db2.gz	VBDCWCKJPAJSSE-CHWSQXEVSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N([O-])C(=N)c1nonc1N	ZINC001145106490	830175079	/nfs/dbraw/zinc/17/50/79/830175079.db2.gz	JJUWPQYBDVZFKQ-LBPRGKRZSA-N	-1	1	344.328	-0.529	20	30		EBEDMM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001211683616	837452432	/nfs/dbraw/zinc/45/24/32/837452432.db2.gz	LFSYUHIZVVWUAD-GXSJLCMTSA-N	-1	1	329.378	-0.255	20	30		EBEDMM
C#CCCCC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C1	ZINC001177006335	832732406	/nfs/dbraw/zinc/73/24/06/832732406.db2.gz	ONXVLVMSYXRDMN-ZIAGYGMSSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001319541455	838145926	/nfs/dbraw/zinc/14/59/26/838145926.db2.gz	UGIHDERIZNXIBB-JQWIXIFHSA-N	-1	1	338.412	-0.082	20	30		EBEDMM
C=CCOCC(=O)N[C@@]12CCC[C@@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001332082723	841567351	/nfs/dbraw/zinc/56/73/51/841567351.db2.gz	QBQYXOJNKQVFFE-BLLLJJGKSA-N	-1	1	335.408	-0.076	20	30		EBEDMM
C=CCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001345761900	843431491	/nfs/dbraw/zinc/43/14/91/843431491.db2.gz	OINNBEWEWFYPGU-WCQYABFASA-N	-1	1	335.360	-0.319	20	30		EBEDMM
C#CCCCC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1	ZINC001573285298	946773452	/nfs/dbraw/zinc/77/34/52/946773452.db2.gz	VNPPWNSHLJEUJB-LLVKDONJSA-N	-1	1	344.379	-0.309	20	30		EBEDMM
C#CCCCC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1	ZINC001573285298	946773469	/nfs/dbraw/zinc/77/34/69/946773469.db2.gz	VNPPWNSHLJEUJB-LLVKDONJSA-N	-1	1	344.379	-0.309	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573287625	946842745	/nfs/dbraw/zinc/84/27/45/946842745.db2.gz	OJKGZKHUXVVWOQ-GHMZBOCLSA-N	-1	1	344.379	-0.576	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1	ZINC001573563556	946983083	/nfs/dbraw/zinc/98/30/83/946983083.db2.gz	AMTVFQBIFXNTQT-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1	ZINC001573563556	946983093	/nfs/dbraw/zinc/98/30/93/946983093.db2.gz	AMTVFQBIFXNTQT-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573571087	947099440	/nfs/dbraw/zinc/09/94/40/947099440.db2.gz	YZBDOZJPLALXOM-VFZGTOFNSA-N	-1	1	341.379	-0.065	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573572341	947111524	/nfs/dbraw/zinc/11/15/24/947111524.db2.gz	GYWFNKFHYWGUEE-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573572341	947111527	/nfs/dbraw/zinc/11/15/27/947111527.db2.gz	GYWFNKFHYWGUEE-XPTSAGLGSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573583745	947208218	/nfs/dbraw/zinc/20/82/18/947208218.db2.gz	OGYBPWRDKUHAEZ-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573583745	947208224	/nfs/dbraw/zinc/20/82/24/947208224.db2.gz	OGYBPWRDKUHAEZ-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309806	947210727	/nfs/dbraw/zinc/21/07/27/947210727.db2.gz	OSWQYKFQXYDJMZ-BONVTDFDSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1	ZINC001573584379	947221506	/nfs/dbraw/zinc/22/15/06/947221506.db2.gz	VAVMKEZMQOKXMA-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1	ZINC001573584379	947221517	/nfs/dbraw/zinc/22/15/17/947221517.db2.gz	VAVMKEZMQOKXMA-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC001573584950	947239991	/nfs/dbraw/zinc/23/99/91/947239991.db2.gz	HUDZWPBSWJOMFA-IVZWLZJFSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C=CCOCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573343019	947550248	/nfs/dbraw/zinc/55/02/48/947550248.db2.gz	IEYVEQLDADLICP-UHFFFAOYSA-N	-1	1	344.379	-0.102	20	30		EBEDMM
C=CCOCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573343019	947550256	/nfs/dbraw/zinc/55/02/56/947550256.db2.gz	IEYVEQLDADLICP-UHFFFAOYSA-N	-1	1	344.379	-0.102	20	30		EBEDMM
CC(=O)N1CC[C@@](C)(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1	ZINC001573432114	948185682	/nfs/dbraw/zinc/18/56/82/948185682.db2.gz	DRIPFSDYCINPDL-CYBMUJFWSA-N	-1	1	329.324	-0.342	20	30		EBEDMM
CC(=O)N1CC[C@H](CN(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)C1	ZINC001573435038	948224843	/nfs/dbraw/zinc/22/48/43/948224843.db2.gz	YKZPTDMHZISYDG-SNVBAGLBSA-N	-1	1	327.352	-0.167	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1	ZINC001570925682	948674150	/nfs/dbraw/zinc/67/41/50/948674150.db2.gz	MYCNLUTWEBCWEQ-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
CC[C@H](CNS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)c(C#N)n1	ZINC001570935284	948976391	/nfs/dbraw/zinc/97/63/91/948976391.db2.gz	NCCYBSLQVAVEMI-SSDOTTSWSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
CC[C@H](CNS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)c(C#N)n1	ZINC001570935284	948976409	/nfs/dbraw/zinc/97/64/09/948976409.db2.gz	NCCYBSLQVAVEMI-SSDOTTSWSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
C[S@](=N)(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001570935378	948979536	/nfs/dbraw/zinc/97/95/36/948979536.db2.gz	RUWUSRRHTXNTCU-HSZRJFAPSA-N	-1	1	334.369	-0.758	20	30		EBEDMM
C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1(=O)=O	ZINC001570935645	948990028	/nfs/dbraw/zinc/99/00/28/948990028.db2.gz	UUQCXYHJVXAFPC-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1(=O)=O	ZINC001570935645	948990042	/nfs/dbraw/zinc/99/00/42/948990042.db2.gz	UUQCXYHJVXAFPC-YUMQZZPRSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
N#Cc1nc(N2CC[C@H](CN3CCCC3=O)C2)cnc1-c1nnn[n-]1	ZINC001570936806	949056537	/nfs/dbraw/zinc/05/65/37/949056537.db2.gz	OXIQTIFHVZXJJQ-JTQLQIEISA-N	-1	1	339.363	-0.023	20	30		EBEDMM
N#Cc1nc(N2CC[C@H](CN3CCCC3=O)C2)cnc1-c1nn[n-]n1	ZINC001570936806	949056553	/nfs/dbraw/zinc/05/65/53/949056553.db2.gz	OXIQTIFHVZXJJQ-JTQLQIEISA-N	-1	1	339.363	-0.023	20	30		EBEDMM
CC(=O)N1CCN(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001570939589	949149013	/nfs/dbraw/zinc/14/90/13/949149013.db2.gz	DTOJWIXNRZEVFB-UHFFFAOYSA-N	-1	1	342.367	-0.896	20	30		EBEDMM
N#CC(C(=O)CCCCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC001594601130	956131502	/nfs/dbraw/zinc/13/15/02/956131502.db2.gz	KVLMJOQYSYMCRV-SNVBAGLBSA-N	-1	1	330.362	-0.403	20	30		EBEDMM
CC(C)[C@H](NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N)C(=O)[O-]	ZINC001591867691	976186252	/nfs/dbraw/zinc/18/62/52/976186252.db2.gz	UTBAVMZUIPEFQB-ZDUSSCGKSA-N	-1	1	336.396	-0.047	20	30		EBEDMM
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001588461048	983488425	/nfs/dbraw/zinc/48/84/25/983488425.db2.gz	DADFYNLQNAWUJE-VXGBXAGGSA-N	-1	1	325.365	-0.099	20	30		EBEDMM
C#CCN1CCC(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)CC1	ZINC001588471353	983505473	/nfs/dbraw/zinc/50/54/73/983505473.db2.gz	JYPLRHVIBRYZOJ-UONOGXRCSA-N	-1	1	333.388	-0.621	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccn[nH]1	ZINC001596628201	984605133	/nfs/dbraw/zinc/60/51/33/984605133.db2.gz	BJYKKPJFYGZLTP-LLVKDONJSA-N	-1	1	340.336	-0.081	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c1ccn[nH]1	ZINC001596629574	984611873	/nfs/dbraw/zinc/61/18/73/984611873.db2.gz	RRDMEIOWIOLFOA-LXOFSZMHSA-N	-1	1	338.320	-0.161	20	30		EBEDMM
CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1	ZINC001589620404	987495322	/nfs/dbraw/zinc/49/53/22/987495322.db2.gz	CEOBESLAIIWIRE-OAHLLOKOSA-N	-1	1	340.355	-0.542	20	30		EBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@](O)(C(=O)[O-])C2)CC1	ZINC001590949342	991006415	/nfs/dbraw/zinc/00/64/15/991006415.db2.gz	PEDNJSRPJMPOJF-XJKSGUPXSA-N	-1	1	338.408	-0.800	20	30		EBEDMM
O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001358622783	1131234687	/nfs/dbraw/zinc/23/46/87/1131234687.db2.gz	QRPRSTGTVVSCBL-CYBMUJFWSA-N	-1	1	344.371	-0.943	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001484797519	1126636600	/nfs/dbraw/zinc/63/66/00/1126636600.db2.gz	RYXPRMJYGNTDIS-LLVKDONJSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC001475811961	1130728137	/nfs/dbraw/zinc/72/81/37/1130728137.db2.gz	RVYXOYKSDQJVBP-JTQLQIEISA-N	-1	1	332.378	-0.096	20	30		EBEDMM
N#Cc1cn(CC(=O)N2CCN(C[C@H]3CCOC3)CC2)c(=O)[n-]c1=O	ZINC001362085304	1131512208	/nfs/dbraw/zinc/51/22/08/1131512208.db2.gz	NKRSDJDMWPFPSJ-GFCCVEGCSA-N	-1	1	347.375	-0.999	20	30		EBEDMM
Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC001364069463	1132194819	/nfs/dbraw/zinc/19/48/19/1132194819.db2.gz	HVYAZGXVDUIVCN-LLVKDONJSA-N	-1	1	325.325	-0.162	20	30		EBEDMM
C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000182008753	377489606	/nfs/dbraw/zinc/48/96/06/377489606.db2.gz	GJVUOWRFESKWDD-QMTHXVAHSA-N	-1	1	340.405	-0.165	20	30		EBEDMM
Cn1ccc(=O)n(CCCNC(=O)c2cc([O-])cc(C#N)c2)c1=O	ZINC000591829783	377757277	/nfs/dbraw/zinc/75/72/77/377757277.db2.gz	OYYFABXAGBEYHT-UHFFFAOYSA-N	-1	1	328.328	-0.056	20	30		EBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1CCC(OC)CC1)C(=O)OC	ZINC000594773475	377952819	/nfs/dbraw/zinc/95/28/19/377952819.db2.gz	YSACJXPWRMYCJO-GFCCVEGCSA-N	-1	1	336.410	-0.324	20	30		EBEDMM
N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nn[n-]n2)cc1	ZINC000609489075	378509887	/nfs/dbraw/zinc/50/98/87/378509887.db2.gz	HKKVMHIMBQFCQP-UHFFFAOYSA-N	-1	1	335.349	-0.678	20	30		EBEDMM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000285005397	380218690	/nfs/dbraw/zinc/21/86/90/380218690.db2.gz	GLRWOPXOOJLVEC-LLVKDONJSA-N	-1	1	332.407	-0.992	20	30		EBEDMM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000567593126	380527079	/nfs/dbraw/zinc/52/70/79/380527079.db2.gz	RIPOKGQQLAAHLB-MWLCHTKSSA-N	-1	1	329.382	-0.279	20	30		EBEDMM
C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000568254046	380587032	/nfs/dbraw/zinc/58/70/32/380587032.db2.gz	WCKKRYIDLBOTEY-SECBINFHSA-N	-1	1	335.411	-0.379	20	30		EBEDMM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000280518495	380935797	/nfs/dbraw/zinc/93/57/97/380935797.db2.gz	DPKGYPHZVIGGBJ-ZYHUDNBSSA-N	-1	1	343.405	-0.657	20	30		EBEDMM
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1	ZINC000349497731	381143185	/nfs/dbraw/zinc/14/31/85/381143185.db2.gz	IUFJYRMNVFZUTP-UHFFFAOYSA-N	-1	1	331.366	-0.654	20	30		EBEDMM
CC(C)NS(=O)(=O)NCCNC(=O)c1cc([O-])cc(C#N)c1	ZINC000617633770	381776049	/nfs/dbraw/zinc/77/60/49/381776049.db2.gz	SSQQQKKAEAQIAC-UHFFFAOYSA-N	-1	1	326.378	-0.174	20	30		EBEDMM
N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2nn[n-]n2)c1	ZINC000609953400	382093574	/nfs/dbraw/zinc/09/35/74/382093574.db2.gz	COFDMLMXJMWBOG-UHFFFAOYSA-N	-1	1	337.246	-0.072	20	30		EBEDMM
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344777382	156263977	/nfs/dbraw/zinc/26/39/77/156263977.db2.gz	UVLYWTHBCKAPLK-RKDXNWHRSA-N	-1	1	343.361	-0.114	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c(=O)n(C)c1=O	ZINC000355498174	157006810	/nfs/dbraw/zinc/00/68/10/157006810.db2.gz	AGCRIMNHLACUTO-UHFFFAOYSA-N	-1	1	348.384	-0.523	20	30		EBEDMM
N#Cc1cccnc1NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000726867253	582622520	/nfs/dbraw/zinc/62/25/20/582622520.db2.gz	DQEPFSGQGVOHNR-UHFFFAOYSA-N	-1	1	328.332	-0.578	20	30		EBEDMM
CNC(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cn1	ZINC000736876922	582968204	/nfs/dbraw/zinc/96/82/04/582968204.db2.gz	FLSHCKGLLLFUIA-UHFFFAOYSA-N	-1	1	338.291	-0.532	20	30		EBEDMM
CC(Cn1cc(Br)ccc1=O)N=NC1=NC(=O)C(=O)[N-]1	ZINC000761828901	583242495	/nfs/dbraw/zinc/24/24/95/583242495.db2.gz	UZFNYSINTCJPQD-UHFFFAOYSA-N	-1	1	340.137	-0.411	20	30		EBEDMM
Cc1cc(C=NNC2=NC(=O)C(=O)N2)c(C)n1CC[NH+]1CCOCC1	ZINC000765594394	583284959	/nfs/dbraw/zinc/28/49/59/583284959.db2.gz	RRPHRACYSYKLRK-UHFFFAOYSA-N	-1	1	346.391	-0.627	20	30		EBEDMM
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(O)(c2nn[n-]n2)CC1	ZINC000798269781	583603577	/nfs/dbraw/zinc/60/35/77/583603577.db2.gz	JBSKNNVJEITRMC-UHFFFAOYSA-N	-1	1	341.327	-0.210	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1	ZINC000809664935	583679940	/nfs/dbraw/zinc/67/99/40/583679940.db2.gz	OTWJMTYSPVFUEZ-UHFFFAOYSA-N	-1	1	326.356	-0.229	20	30		EBEDMM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1	ZINC000822806069	583818173	/nfs/dbraw/zinc/81/81/73/583818173.db2.gz	IQXMIGCUEAYJLL-SECBINFHSA-N	-1	1	338.324	-0.081	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000823919814	583838960	/nfs/dbraw/zinc/83/89/60/583838960.db2.gz	RVOCBTLGPVTVDR-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000823919814	583838962	/nfs/dbraw/zinc/83/89/62/583838962.db2.gz	RVOCBTLGPVTVDR-UHFFFAOYSA-N	-1	1	329.368	-0.919	20	30		EBEDMM
CC#CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000823937164	583839204	/nfs/dbraw/zinc/83/92/04/583839204.db2.gz	KTOXTWICTKTBNR-LLVKDONJSA-N	-1	1	341.379	-0.100	20	30		EBEDMM
CC#CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000823937164	583839206	/nfs/dbraw/zinc/83/92/06/583839206.db2.gz	KTOXTWICTKTBNR-LLVKDONJSA-N	-1	1	341.379	-0.100	20	30		EBEDMM
C#CCNC(=O)CN1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000825727657	583865726	/nfs/dbraw/zinc/86/57/26/583865726.db2.gz	WCBZRTDRLRCYHA-UHFFFAOYSA-N	-1	1	335.335	-0.256	20	30		EBEDMM
Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)o3)C2=O)cn1	ZINC000286775545	584697577	/nfs/dbraw/zinc/69/75/77/584697577.db2.gz	FVPDWSOYGLXKFM-LLVKDONJSA-N	-1	1	335.345	-0.031	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000939398023	652926026	/nfs/dbraw/zinc/92/60/26/652926026.db2.gz	SJVQAQNOLKGZGC-NXEZZACHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000957219570	722176291	/nfs/dbraw/zinc/17/62/91/722176291.db2.gz	IIPBZWHDBKEYJA-RFAUZJTJSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000958468481	722371657	/nfs/dbraw/zinc/37/16/57/722371657.db2.gz	YKPFPHSOBOLJRW-AAEUAGOBSA-N	-1	1	329.360	-0.932	20	30		EBEDMM
C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000968432618	725063462	/nfs/dbraw/zinc/06/34/62/725063462.db2.gz	ZBNTXQKMGGXHOS-OCCSQVGLSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969463838	725182969	/nfs/dbraw/zinc/18/29/69/725182969.db2.gz	WAMMAILTJWHGSE-SECBINFHSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969513236	725187040	/nfs/dbraw/zinc/18/70/40/725187040.db2.gz	AYNOQSUYTQZZKH-SECBINFHSA-N	-1	1	329.364	-0.442	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC000970762455	725325667	/nfs/dbraw/zinc/32/56/67/725325667.db2.gz	DXQHBFCFQQUTQV-NSHDSACASA-N	-1	1	340.387	-0.265	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000971365538	725360662	/nfs/dbraw/zinc/36/06/62/725360662.db2.gz	DXATZPPKQXYGRI-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC000972373985	725510785	/nfs/dbraw/zinc/51/07/85/725510785.db2.gz	PABSDXVYVIXNDZ-UPJWGTAASA-N	-1	1	335.408	-0.268	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1=O	ZINC000972377514	725511353	/nfs/dbraw/zinc/51/13/53/725511353.db2.gz	HLKJNTVLJRWFIA-KRWDZBQOSA-N	-1	1	345.403	-0.675	20	30		EBEDMM
C#CCN1CCO[C@]2(CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)C1	ZINC000972638439	725568060	/nfs/dbraw/zinc/56/80/60/725568060.db2.gz	KNNRISPCQXWNGS-MRXNPFEDSA-N	-1	1	348.359	-0.554	20	30		EBEDMM
C=CCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC000972637942	725568431	/nfs/dbraw/zinc/56/84/31/725568431.db2.gz	GHONKHXZLBAQRD-INIZCTEOSA-N	-1	1	344.375	-0.480	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1	ZINC001003318210	726669615	/nfs/dbraw/zinc/66/96/15/726669615.db2.gz	WQSLOGOVONKSKH-ZETCQYMHSA-N	-1	1	335.320	-0.756	20	30		EBEDMM
N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]12	ZINC001026375747	730141619	/nfs/dbraw/zinc/14/16/19/730141619.db2.gz	XUDQMDUOHMBXRY-JHJVBQTASA-N	-1	1	331.376	-0.723	20	30		EBEDMM
O=C(NC1CN(CC#Cc2ccccc2)C1)c1cc(=O)n2[n-]cnc2n1	ZINC001031250162	730693876	/nfs/dbraw/zinc/69/38/76/730693876.db2.gz	WDHZCIMDTRETHL-UHFFFAOYSA-N	-1	1	348.366	-0.117	20	30		EBEDMM
N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)nn1	ZINC001040996202	731955438	/nfs/dbraw/zinc/95/54/38/731955438.db2.gz	VXYVQWQZIJLHAF-ZYHUDNBSSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043040027	732725278	/nfs/dbraw/zinc/72/52/78/732725278.db2.gz	MTCYRMQJONNDKI-LLVKDONJSA-N	-1	1	333.344	-0.871	20	30		EBEDMM
N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001048582348	734449140	/nfs/dbraw/zinc/44/91/40/734449140.db2.gz	LQYFRWXWEDREAE-ZSBIGDGJSA-N	-1	1	341.375	-0.086	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048762324	734497166	/nfs/dbraw/zinc/49/71/66/734497166.db2.gz	SQMWSUIBAWEUDV-PLQHRBFRSA-N	-1	1	349.387	-0.242	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1	ZINC001053686483	735967516	/nfs/dbraw/zinc/96/75/16/735967516.db2.gz	QWDYULYWBRKOKY-VIFPVBQESA-N	-1	1	349.347	-0.617	20	30		EBEDMM
C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057921197	737531171	/nfs/dbraw/zinc/53/11/71/737531171.db2.gz	BUXSSUQYLNHYOU-LBPRGKRZSA-N	-1	1	337.376	-0.071	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074999	739511921	/nfs/dbraw/zinc/51/19/21/739511921.db2.gz	ZQZGHAPGESCVHC-GFCCVEGCSA-N	-1	1	335.360	-0.053	20	30		EBEDMM
N#Cc1nccnc1N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001067665480	740177963	/nfs/dbraw/zinc/17/79/63/740177963.db2.gz	OQAKJKWPFVZATR-ZWNOBZJWSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001067796263	740220359	/nfs/dbraw/zinc/22/03/59/740220359.db2.gz	JFHWFTDLKUFFQX-LBPRGKRZSA-N	-1	1	349.391	-0.607	20	30		EBEDMM
C#CCC[N@H+]1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1	ZINC001070734754	740933884	/nfs/dbraw/zinc/93/38/84/740933884.db2.gz	HYFPGXXUVVFXRQ-VHSXEESVSA-N	-1	1	332.343	-0.039	20	30		EBEDMM
CC#CCN1CCCO[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001073724215	741722568	/nfs/dbraw/zinc/72/25/68/741722568.db2.gz	SANNVCGWYXVIIB-GFCCVEGCSA-N	-1	1	334.376	-0.670	20	30		EBEDMM
C=C1CCC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001077621419	743123383	/nfs/dbraw/zinc/12/33/83/743123383.db2.gz	IKXPQWKWTJGXRG-CHWSQXEVSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
N#CCN[C@@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C12CCC2	ZINC001078780666	743734347	/nfs/dbraw/zinc/73/43/47/743734347.db2.gz	PJIHOJSUCHZZMM-MNOVXSKESA-N	-1	1	327.348	-0.428	20	30		EBEDMM
N#CCN1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]2C1	ZINC000980210906	805799212	/nfs/dbraw/zinc/79/92/12/805799212.db2.gz	ZWUHHMKTDBVWFZ-QJPTWQEYSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N	ZINC000978050854	804633462	/nfs/dbraw/zinc/63/34/62/804633462.db2.gz	HBQKVBFVLOJIGY-RKDXNWHRSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C#Cc1ccc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)nc1	ZINC000989505730	808492644	/nfs/dbraw/zinc/49/26/44/808492644.db2.gz	ULCKWUUPIQQEQN-UHFFFAOYSA-N	-1	1	340.387	-0.167	20	30		EBEDMM
N#Cc1cccc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1	ZINC001016111017	810667723	/nfs/dbraw/zinc/66/77/23/810667723.db2.gz	OERQEVRRWQYOOR-CYBMUJFWSA-N	-1	1	342.359	-0.048	20	30		EBEDMM
C=CC(C=C)Oc1[nH]c(=O)[nH]c(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227474381	811925110	/nfs/dbraw/zinc/92/51/10/811925110.db2.gz	YTHDIXKTMLNUBF-UHFFFAOYSA-N	-1	1	333.260	-0.554	20	30		EBEDMM
COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(N)=O	ZINC001261063844	812851036	/nfs/dbraw/zinc/85/10/36/812851036.db2.gz	LTDLUOKCZPXHDX-SCSAIBSYSA-N	-1	1	337.766	-0.156	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424375	812910916	/nfs/dbraw/zinc/91/09/16/812910916.db2.gz	DRFQWZANJXEXNV-GXTWGEPZSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266750268	813660859	/nfs/dbraw/zinc/66/08/59/813660859.db2.gz	TULUNVNITUBTIR-STQMWFEESA-N	-1	1	335.408	-0.525	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](OC)C1	ZINC001082211924	813824488	/nfs/dbraw/zinc/82/44/88/813824488.db2.gz	OIQCCUXJTYFACP-CHWSQXEVSA-N	-1	1	329.360	-0.525	20	30		EBEDMM
C=CCCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](OC)C1	ZINC001082248373	813845362	/nfs/dbraw/zinc/84/53/62/813845362.db2.gz	IUMHPLYUAYOWNH-CHWSQXEVSA-N	-1	1	346.391	-0.537	20	30		EBEDMM
C#CCN1C[C@@]2(CCN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)OCC1=O	ZINC001271555700	816141232	/nfs/dbraw/zinc/14/12/32/816141232.db2.gz	DXUMAYZSIHOQEP-OAHLLOKOSA-N	-1	1	348.384	-0.452	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272258732	816374354	/nfs/dbraw/zinc/37/43/54/816374354.db2.gz	VBVKZYWPGMGLER-MNOVXSKESA-N	-1	1	325.369	-0.988	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)nc1=O	ZINC001087962615	816591234	/nfs/dbraw/zinc/59/12/34/816591234.db2.gz	ZRSKWVGVEDGEAO-KGLIPLIRSA-N	-1	1	329.404	-0.198	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)CSCC#N	ZINC001275088579	817148695	/nfs/dbraw/zinc/14/86/95/817148695.db2.gz	WPBMTNCDVOGXSS-NSHDSACASA-N	-1	1	338.437	-0.212	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001276863009	817484573	/nfs/dbraw/zinc/48/45/73/817484573.db2.gz	VMCATGPVWSQCDM-MRXNPFEDSA-N	-1	1	349.435	-0.140	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1	ZINC001090629549	817597463	/nfs/dbraw/zinc/59/74/63/817597463.db2.gz	HJJCKYJVGDVFDY-CHWSQXEVSA-N	-1	1	329.360	-0.789	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001279612850	817959723	/nfs/dbraw/zinc/95/97/23/817959723.db2.gz	CFNAEHOMDVIDJF-OGHNNQOOSA-N	-1	1	349.435	-0.142	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1ccc(C#N)nn1	ZINC001093760801	818096106	/nfs/dbraw/zinc/09/61/06/818096106.db2.gz	GXBJCZZZCFLWDB-UHFFFAOYSA-N	-1	1	331.292	-0.600	20	30		EBEDMM
N#Cc1cccnc1NCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001094499002	818277212	/nfs/dbraw/zinc/27/72/12/818277212.db2.gz	GMLMHNZOQFEZFR-UHFFFAOYSA-N	-1	1	342.359	-0.188	20	30		EBEDMM
N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001095014522	818547662	/nfs/dbraw/zinc/54/76/62/818547662.db2.gz	KCPOMMNASAXDTH-AVGNSLFASA-N	-1	1	331.376	-0.581	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1cncc(C#N)n1	ZINC001097939052	819058291	/nfs/dbraw/zinc/05/82/91/819058291.db2.gz	BDHAANVNHOEYPQ-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)nc1	ZINC001097950803	819062419	/nfs/dbraw/zinc/06/24/19/819062419.db2.gz	WKVXUOUGPFKJEF-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C	ZINC001284128659	819104606	/nfs/dbraw/zinc/10/46/06/819104606.db2.gz	NQPMKHIKNXAOSA-STQMWFEESA-N	-1	1	335.408	-0.383	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001284286093	819168586	/nfs/dbraw/zinc/16/85/86/819168586.db2.gz	ZGMCZVWOCIJCEO-LBPRGKRZSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
C=CCCOCC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001284542668	819279374	/nfs/dbraw/zinc/27/93/74/819279374.db2.gz	ZFTVEPYGMMMULA-UHFFFAOYSA-N	-1	1	348.363	-0.802	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)C#CC2CC2)CC1	ZINC001285945209	819839205	/nfs/dbraw/zinc/83/92/05/819839205.db2.gz	WBFXXWZEAZOUAN-UHFFFAOYSA-N	-1	1	346.343	-0.312	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001289400191	820383315	/nfs/dbraw/zinc/38/33/15/820383315.db2.gz	MQNBMTJAIHTHSY-IJLUTSLNSA-N	-1	1	347.375	-0.951	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001289467257	820387847	/nfs/dbraw/zinc/38/78/47/820387847.db2.gz	QBNRTVYRUTYHTE-YRGRVCCFSA-N	-1	1	347.371	-0.219	20	30		EBEDMM
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001295597289	821132978	/nfs/dbraw/zinc/13/29/78/821132978.db2.gz	RPRFRGADMFXYIT-SECBINFHSA-N	-1	1	332.364	-0.136	20	30		EBEDMM
C=CCCC(=O)NC/C=C/CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001298299781	821504561	/nfs/dbraw/zinc/50/45/61/821504561.db2.gz	CBQKQQNGHZRDPO-SNAWJCMRSA-N	-1	1	330.348	-0.214	20	30		EBEDMM
N#Cc1ccc(N2C[C@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)cc1	ZINC001318042035	822248646	/nfs/dbraw/zinc/24/86/46/822248646.db2.gz	UUOOWHGLZQOGAR-SNVBAGLBSA-N	-1	1	327.300	-0.506	20	30		EBEDMM
CCN(C(=O)CSCC#N)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001318459025	822321434	/nfs/dbraw/zinc/32/14/34/822321434.db2.gz	OAKPKMBZFZUNHM-NSHDSACASA-N	-1	1	338.437	-0.212	20	30		EBEDMM
C=CCCC(=O)NCc1cnn2c1CN(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001128255645	828434624	/nfs/dbraw/zinc/43/46/24/828434624.db2.gz	MRCZHTFQUVEKST-UHFFFAOYSA-N	-1	1	345.407	-0.097	20	30		EBEDMM
C=CCOCC(=O)NC[C@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107811892	823975611	/nfs/dbraw/zinc/97/56/11/823975611.db2.gz	UTDZNUJQABYFNQ-OAHLLOKOSA-N	-1	1	339.396	-0.982	20	30		EBEDMM
C#CCN1CCO[C@](C)(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001108340381	824227934	/nfs/dbraw/zinc/22/79/34/824227934.db2.gz	AIIGCTRBTWSCMB-OAHLLOKOSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNc1cnc(C#N)cn1	ZINC001108461254	824295596	/nfs/dbraw/zinc/29/55/96/824295596.db2.gz	GGCMGKAKOXOSCU-ZETCQYMHSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C[C@@H](CNc1ncccc1C#N)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461469	824295829	/nfs/dbraw/zinc/29/58/29/824295829.db2.gz	RWGVDADJUYMEEN-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109273581	824515493	/nfs/dbraw/zinc/51/54/93/824515493.db2.gz	KEAZJFZGUCQXDU-AGIUHOORSA-N	-1	1	333.392	-0.630	20	30		EBEDMM
C=CCOCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111658531	825247405	/nfs/dbraw/zinc/24/74/05/825247405.db2.gz	DZJOIKNEONBERT-LRDDRELGSA-N	-1	1	335.408	-0.218	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)CN1c2ccccc2C(=O)C1=O	ZINC001180045760	833036486	/nfs/dbraw/zinc/03/64/86/833036486.db2.gz	SNLGTIXNLCMTPN-UHFFFAOYSA-N	-1	1	330.260	-0.576	20	30		EBEDMM
Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ncccc2[O-])n1	ZINC001121339175	827346516	/nfs/dbraw/zinc/34/65/16/827346516.db2.gz	GHQONEXTGHOHCK-LLVKDONJSA-N	-1	1	328.332	-0.040	20	30		EBEDMM
COc1cc(C[C@H](O)C(=O)N([O-])C(=N)c2nonc2N)ccc1O	ZINC001143589378	830153900	/nfs/dbraw/zinc/15/39/00/830153900.db2.gz	MAQDIGWMKOJVJL-QMMMGPOBSA-N	-1	1	337.292	-0.487	20	30		EBEDMM
CC#CCN1CCCO[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001149936366	830785218	/nfs/dbraw/zinc/78/52/18/830785218.db2.gz	CZIWVHIPZAGESY-GFCCVEGCSA-N	-1	1	349.391	-0.554	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001212156186	837559589	/nfs/dbraw/zinc/55/95/89/837559589.db2.gz	DVUXWPBGSPVFCA-OUCADQQQSA-N	-1	1	346.387	-0.646	20	30		EBEDMM
C#CCCCC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001177006331	832732099	/nfs/dbraw/zinc/73/20/99/832732099.db2.gz	ONXVLVMSYXRDMN-KBPBESRZSA-N	-1	1	347.419	-0.286	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001190440592	834268442	/nfs/dbraw/zinc/26/84/42/834268442.db2.gz	JSAHGCHAVNUMMR-FRRDWIJNSA-N	-1	1	335.408	-0.268	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)c1cc(N2CCOCC2)ccn1	ZINC001192241532	834629065	/nfs/dbraw/zinc/62/90/65/834629065.db2.gz	FMZHZMCOLKBSMK-UHFFFAOYSA-N	-1	1	333.308	-0.260	20	30		EBEDMM
C[C@@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001193149304	834806626	/nfs/dbraw/zinc/80/66/26/834806626.db2.gz	NERLBRUEQBIPGI-ZETCQYMHSA-N	-1	1	332.363	-0.303	20	30		EBEDMM
C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001198982093	835746538	/nfs/dbraw/zinc/74/65/38/835746538.db2.gz	ALJAFEFDPUVNSI-NXEZZACHSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
C=CCOCC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200109471	835909006	/nfs/dbraw/zinc/90/90/06/835909006.db2.gz	UVLLWTMRVGALLK-LLVKDONJSA-N	-1	1	325.369	-0.580	20	30		EBEDMM
C=CCOCC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200109472	835909345	/nfs/dbraw/zinc/90/93/45/835909345.db2.gz	UVLLWTMRVGALLK-NSHDSACASA-N	-1	1	325.369	-0.580	20	30		EBEDMM
C#CCOCCC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200502148	835976000	/nfs/dbraw/zinc/97/60/00/835976000.db2.gz	WRRBAGIACYGZFY-GFCCVEGCSA-N	-1	1	337.380	-0.743	20	30		EBEDMM
Cc1ccn2c(c1)ncc(C(=O)N([O-])C(=N)c1nonc1N)c2=O	ZINC001201247221	836117814	/nfs/dbraw/zinc/11/78/14/836117814.db2.gz	AWSAFLMJRAVSLR-UHFFFAOYSA-N	-1	1	329.276	-0.175	20	30		EBEDMM
COCC#CCN1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001207857729	836880411	/nfs/dbraw/zinc/88/04/11/836880411.db2.gz	MWFMTNZCXIDSFK-DGCLKSJQSA-N	-1	1	349.391	-0.698	20	30		EBEDMM
COCC#CCN1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001208278762	836978882	/nfs/dbraw/zinc/97/88/82/836978882.db2.gz	ZTQXIBCJRVEDMA-DGCLKSJQSA-N	-1	1	334.376	-0.814	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(CC#N)CC2)co1	ZINC001324449463	839659441	/nfs/dbraw/zinc/65/94/41/839659441.db2.gz	ARELUAZAWXGZEV-UHFFFAOYSA-N	-1	1	326.378	-0.095	20	30		EBEDMM
C#CCCCCC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001325084467	839774105	/nfs/dbraw/zinc/77/41/05/839774105.db2.gz	XTAVVOKEQARQQE-INIZCTEOSA-N	-1	1	335.408	-0.645	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001338117403	842752116	/nfs/dbraw/zinc/75/21/16/842752116.db2.gz	OUHAYEQBBJRQAD-CHWSQXEVSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C=CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1	ZINC001338639895	842850642	/nfs/dbraw/zinc/85/06/42/842850642.db2.gz	YPKXVOJMIDFEIJ-LLVKDONJSA-N	-1	1	341.389	-0.872	20	30		EBEDMM
CN(C)C(=O)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1	ZINC001342537868	843167756	/nfs/dbraw/zinc/16/77/56/843167756.db2.gz	JQYFXHMTQXMMNO-JTQLQIEISA-N	-1	1	341.331	-0.278	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001343315559	843220642	/nfs/dbraw/zinc/22/06/42/843220642.db2.gz	ZYIMOWUHXXHIBU-RSAASHCRSA-N	-1	1	335.360	-0.584	20	30		EBEDMM
C=C(Br)CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001573292776	946939516	/nfs/dbraw/zinc/93/95/16/946939516.db2.gz	BRRPLWMDWPDVSB-UHFFFAOYSA-N	-1	1	328.130	-0.014	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573560542	946954328	/nfs/dbraw/zinc/95/43/28/946954328.db2.gz	CZZFBHNYJJDLBM-UWVGGRQHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573563053	946983739	/nfs/dbraw/zinc/98/37/39/946983739.db2.gz	ZMZUWBKTJHXDCV-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573563053	946983747	/nfs/dbraw/zinc/98/37/47/946983747.db2.gz	ZMZUWBKTJHXDCV-IUCAKERBSA-N	-1	1	331.340	-0.952	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573569555	947073775	/nfs/dbraw/zinc/07/37/75/947073775.db2.gz	BBIRVXPJSDEWJQ-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573569555	947073787	/nfs/dbraw/zinc/07/37/87/947073787.db2.gz	BBIRVXPJSDEWJQ-JFGNBEQYSA-N	-1	1	339.363	-0.147	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573570350	947087415	/nfs/dbraw/zinc/08/74/15/947087415.db2.gz	MXBUVXOXYAVZQH-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573570350	947087427	/nfs/dbraw/zinc/08/74/27/947087427.db2.gz	MXBUVXOXYAVZQH-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573572073	947108701	/nfs/dbraw/zinc/10/87/01/947108701.db2.gz	DQDDXUPDXYTHTE-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573572073	947108712	/nfs/dbraw/zinc/10/87/12/947108712.db2.gz	DQDDXUPDXYTHTE-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573577148	947161688	/nfs/dbraw/zinc/16/16/88/947161688.db2.gz	MTGNXIKIFDMWKN-WCBMZHEXSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573584072	947211377	/nfs/dbraw/zinc/21/13/77/947211377.db2.gz	QFAZTRQAUVJWNS-VHSXEESVSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573584072	947211385	/nfs/dbraw/zinc/21/13/85/947211385.db2.gz	QFAZTRQAUVJWNS-VHSXEESVSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573584254	947215379	/nfs/dbraw/zinc/21/53/79/947215379.db2.gz	RYFGHQLZEBCFBS-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573584254	947215387	/nfs/dbraw/zinc/21/53/87/947215387.db2.gz	RYFGHQLZEBCFBS-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21	ZINC001573585985	947273513	/nfs/dbraw/zinc/27/35/13/947273513.db2.gz	KIXAVCYHBMBURJ-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21	ZINC001573585985	947273525	/nfs/dbraw/zinc/27/35/25/947273525.db2.gz	KIXAVCYHBMBURJ-APOZVJGGSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
N#Cc1ncc(N2CCO[C@@H](C(=O)C3CC3)C2)nc1-c1nn[n-]n1	ZINC001570925890	948679020	/nfs/dbraw/zinc/67/90/20/948679020.db2.gz	QZWPMYDGYVWDAQ-SNVBAGLBSA-N	-1	1	326.320	-0.287	20	30		EBEDMM
N#Cc1nc(N2CC(C3CS(=O)(=O)C3)C2)cnc1-c1nnn[n-]1	ZINC001570929164	948755659	/nfs/dbraw/zinc/75/56/59/948755659.db2.gz	OLJZMXFGLZXLJC-UHFFFAOYSA-N	-1	1	332.349	-0.991	20	30		EBEDMM
N#Cc1nc(N2CC(C3CS(=O)(=O)C3)C2)cnc1-c1nn[n-]n1	ZINC001570929164	948755672	/nfs/dbraw/zinc/75/56/72/948755672.db2.gz	OLJZMXFGLZXLJC-UHFFFAOYSA-N	-1	1	332.349	-0.991	20	30		EBEDMM
CN(C)C(=O)Cn1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)n1	ZINC001570933945	948919272	/nfs/dbraw/zinc/91/92/72/948919272.db2.gz	AHDPMFIHQAGVSS-UHFFFAOYSA-N	-1	1	339.323	-0.443	20	30		EBEDMM
CN(C)C(=O)Cn1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)n1	ZINC001570933945	948919279	/nfs/dbraw/zinc/91/92/79/948919279.db2.gz	AHDPMFIHQAGVSS-UHFFFAOYSA-N	-1	1	339.323	-0.443	20	30		EBEDMM
C[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCS1(=O)=O	ZINC001570936047	949008834	/nfs/dbraw/zinc/00/88/34/949008834.db2.gz	XQTDWXHHSNIHHI-JGVFFNPUSA-N	-1	1	334.365	-0.094	20	30		EBEDMM
C[C@@H](CNC(=O)CSCC#N)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001574938108	949236479	/nfs/dbraw/zinc/23/64/79/949236479.db2.gz	SCGCJCNFBPUYAR-QMMMGPOBSA-N	-1	1	333.381	-0.170	20	30		EBEDMM
C[C@@H](CNC(=O)CSCC#N)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001574938108	949236492	/nfs/dbraw/zinc/23/64/92/949236492.db2.gz	SCGCJCNFBPUYAR-QMMMGPOBSA-N	-1	1	333.381	-0.170	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)NC[C@H](CC)C(=O)[O-])c1ccn[nH]1	ZINC001590648539	950969382	/nfs/dbraw/zinc/96/93/82/950969382.db2.gz	SXQTZTDMPLJFLT-VIFPVBQESA-N	-1	1	340.336	-0.080	20	30		EBEDMM
C=CCOC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC	ZINC001573369179	963094351	/nfs/dbraw/zinc/09/43/51/963094351.db2.gz	PIQKQIGYGRGAFG-JTQLQIEISA-N	-1	1	335.378	-0.095	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)c1	ZINC001486312282	1127125772	/nfs/dbraw/zinc/12/57/72/1127125772.db2.gz	UALGNJHLKIECDF-GFCCVEGCSA-N	-1	1	330.348	-0.891	20	30		EBEDMM
C=C1CC(C)(C(=O)N(C)C[C@H](O)CN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001486348994	1127160454	/nfs/dbraw/zinc/16/04/54/1127160454.db2.gz	MQUMLZCXVDXFBO-GFCCVEGCSA-N	-1	1	337.424	-0.284	20	30		EBEDMM
CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001488932189	1128887432	/nfs/dbraw/zinc/88/74/32/1128887432.db2.gz	JRQIPIZQQFGITH-VXGBXAGGSA-N	-1	1	349.391	-0.560	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCC2)cc1	ZINC001412540224	1129554444	/nfs/dbraw/zinc/55/44/44/1129554444.db2.gz	JVASZXXLHRVUEW-UHFFFAOYSA-N	-1	1	325.332	-0.003	20	30		EBEDMM
CC[C@H](CO)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412731817	1129604465	/nfs/dbraw/zinc/60/44/65/1129604465.db2.gz	SAJKBEMWLKSCGC-CYBMUJFWSA-N	-1	1	349.391	-0.874	20	30		EBEDMM
COCCN1[C@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC001362833155	1131688947	/nfs/dbraw/zinc/68/89/47/1131688947.db2.gz	XOURNADGJXOKRH-TXEJJXNPSA-N	-1	1	349.391	-0.612	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(CCC#N)CC2)[n-]n1	ZINC001364033989	1132175708	/nfs/dbraw/zinc/17/57/08/1132175708.db2.gz	RNXHUQDTXYXRDC-UHFFFAOYSA-N	-1	1	327.366	-0.584	20	30		EBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(CCC#N)CC2)n[n-]1	ZINC001364033989	1132175712	/nfs/dbraw/zinc/17/57/12/1132175712.db2.gz	RNXHUQDTXYXRDC-UHFFFAOYSA-N	-1	1	327.366	-0.584	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1	ZINC001368715164	1134403638	/nfs/dbraw/zinc/40/36/38/1134403638.db2.gz	HCJJHKBRPKDQCW-NEPJUHHUSA-N	-1	1	336.396	-0.947	20	30		EBEDMM
Cc1cc(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n[nH]1	ZINC000598993990	378190814	/nfs/dbraw/zinc/19/08/14/378190814.db2.gz	VGZXQKGURSXDCG-UHFFFAOYSA-N	-1	1	329.320	-0.381	20	30		EBEDMM
C#C[C@H](CCC)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000491658230	379610764	/nfs/dbraw/zinc/61/07/64/379610764.db2.gz	VTEVZBREIOFAMW-SECBINFHSA-N	-1	1	327.362	-0.425	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C	ZINC000355594911	380195400	/nfs/dbraw/zinc/19/54/00/380195400.db2.gz	VYGOJVKFQYWJCU-GFCCVEGCSA-N	-1	1	349.434	-0.121	20	30		EBEDMM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000567593125	380528648	/nfs/dbraw/zinc/52/86/48/380528648.db2.gz	RIPOKGQQLAAHLB-KOLCDFICSA-N	-1	1	329.382	-0.279	20	30		EBEDMM
C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)nn1	ZINC000424926513	380927196	/nfs/dbraw/zinc/92/71/96/380927196.db2.gz	SUCSSWJKQFQEBA-UHFFFAOYSA-N	-1	1	325.350	-0.105	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(=O)n(C)c1=O	ZINC000344957764	381030803	/nfs/dbraw/zinc/03/08/03/381030803.db2.gz	PLJUMCPLGQBOBK-UHFFFAOYSA-N	-1	1	328.394	-0.308	20	30		EBEDMM
CC(C)C[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000610425498	381133651	/nfs/dbraw/zinc/13/36/51/381133651.db2.gz	KQJKHDCTSINFEB-SECBINFHSA-N	-1	1	342.377	-0.289	20	30		EBEDMM
CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344546183	156240023	/nfs/dbraw/zinc/24/00/23/156240023.db2.gz	KTRLOMRDKXXLQQ-SNVBAGLBSA-N	-1	1	340.361	-0.833	20	30		EBEDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1cc(C#N)ncn1	ZINC000583671348	420573156	/nfs/dbraw/zinc/57/31/56/420573156.db2.gz	DNLWMSXAILUJGE-UHFFFAOYSA-N	-1	1	340.390	0.209	20	30		EBEDMM
C[C@H](CN1CCOCC1)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530272994	420925178	/nfs/dbraw/zinc/92/51/78/420925178.db2.gz	XFKVBSNWSGZGBQ-LLVKDONJSA-N	-1	1	347.375	-0.828	20	30		EBEDMM
C#CCNC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000735381006	582894003	/nfs/dbraw/zinc/89/40/03/582894003.db2.gz	JQIDITIRNOHOJJ-UHFFFAOYSA-N	-1	1	326.364	-0.867	20	30		EBEDMM
N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1	ZINC000737709980	583024407	/nfs/dbraw/zinc/02/44/07/583024407.db2.gz	PLCHEGFXLULZJS-GFCCVEGCSA-N	-1	1	341.331	-0.599	20	30		EBEDMM
CCOC(=O)c1nn(C)cc1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000769779070	583327673	/nfs/dbraw/zinc/32/76/73/583327673.db2.gz	JEOHOXOMPRTCON-UHFFFAOYSA-N	-1	1	330.308	-0.212	20	30		EBEDMM
N#CCNC(=O)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000807554823	583661679	/nfs/dbraw/zinc/66/16/79/583661679.db2.gz	MULFFYGLEGCHMO-UHFFFAOYSA-N	-1	1	349.313	-0.274	20	30		EBEDMM
N#CCNC(=O)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000812369053	583695412	/nfs/dbraw/zinc/69/54/12/583695412.db2.gz	FAFRVGBWMALGOV-SECBINFHSA-N	-1	1	349.313	-0.274	20	30		EBEDMM
N#Cc1[n-]c(NC(=O)CNC(=O)c2cccnc2)nc1-c1nn[nH]n1	ZINC000822815550	583818494	/nfs/dbraw/zinc/81/84/94/583818494.db2.gz	SSPFHYCNKLXLQT-UHFFFAOYSA-N	-1	1	338.291	-0.775	20	30		EBEDMM
CCC(=O)N1CC[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1	ZINC000825034598	583854623	/nfs/dbraw/zinc/85/46/23/583854623.db2.gz	MSIZNRBVGMIBIU-SSDOTTSWSA-N	-1	1	329.324	-0.342	20	30		EBEDMM
CCOC(=O)CCCNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1	ZINC000825512120	583862360	/nfs/dbraw/zinc/86/23/60/583862360.db2.gz	UOMLXHUHHKZCFW-UHFFFAOYSA-N	-1	1	332.324	-0.606	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2CCSC[C@H]2CC(=O)[O-])CC1	ZINC000825619896	583864661	/nfs/dbraw/zinc/86/46/61/583864661.db2.gz	RFIKXCZZKVLFGB-CYBMUJFWSA-N	-1	1	325.434	-0.344	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2C#N)c1=O	ZINC000826356905	583893687	/nfs/dbraw/zinc/89/36/87/583893687.db2.gz	KLBWIXMQBFTRAY-UHFFFAOYSA-N	-1	1	339.315	-0.322	20	30		EBEDMM
N#Cc1cccc(S(=O)(=O)CCn2cnc(-c3nn[n-]n3)n2)c1	ZINC000826387302	583896194	/nfs/dbraw/zinc/89/61/94/583896194.db2.gz	OIESMASVKBPODK-UHFFFAOYSA-N	-1	1	330.333	-0.196	20	30		EBEDMM
C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1	ZINC000831568733	583985945	/nfs/dbraw/zinc/98/59/45/583985945.db2.gz	QJGZKRIXSUGAAG-UHFFFAOYSA-N	-1	1	341.364	-0.243	20	30		EBEDMM
C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1	ZINC000831568675	583985978	/nfs/dbraw/zinc/98/59/78/583985978.db2.gz	OCRFDCJBLUZISR-UHFFFAOYSA-N	-1	1	341.364	-0.243	20	30		EBEDMM
C#CCN1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000112920109	584254602	/nfs/dbraw/zinc/25/46/02/584254602.db2.gz	RMLIRCTYWMDTGE-UHFFFAOYSA-N	-1	1	327.388	-0.041	20	30		EBEDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1CCN(CC#N)CC1	ZINC000912543501	650207744	/nfs/dbraw/zinc/20/77/44/650207744.db2.gz	YLFAAYAQKGEHJI-UHFFFAOYSA-N	-1	1	341.393	-0.290	20	30		EBEDMM
Cc1cc(=O)[n-]c(NN=Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1	ZINC000920360617	650311069	/nfs/dbraw/zinc/31/10/69/650311069.db2.gz	ZGVCTNXBOIKTSJ-UHFFFAOYSA-N	-1	1	330.308	-0.377	20	30		EBEDMM
CC1(C)CN(CC#N)CC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000941164288	653436254	/nfs/dbraw/zinc/43/62/54/653436254.db2.gz	UNBBDHQXSRIXKT-LLVKDONJSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCOC2(CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1	ZINC000949051682	653591500	/nfs/dbraw/zinc/59/15/00/653591500.db2.gz	NDMSGSHCABNRCJ-GFCCVEGCSA-N	-1	1	348.407	-0.539	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ncccc3[O-])CC2)C1	ZINC000967208573	724835262	/nfs/dbraw/zinc/83/52/62/724835262.db2.gz	HKPYGOLMTZKZGT-LBPRGKRZSA-N	-1	1	343.387	-0.085	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000962437169	723253141	/nfs/dbraw/zinc/25/31/41/723253141.db2.gz	PEZKRBLXBABADI-RFHZTLPTSA-N	-1	1	347.371	-0.320	20	30		EBEDMM
C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1	ZINC000968707209	725106316	/nfs/dbraw/zinc/10/63/16/725106316.db2.gz	GASZJLOPXCKWLN-YPMHNXCESA-N	-1	1	330.348	-0.593	20	30		EBEDMM
N#Cc1ccccc1CN[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000970582559	725302316	/nfs/dbraw/zinc/30/23/16/725302316.db2.gz	XFZDOJBYBBEQLM-CYBMUJFWSA-N	-1	1	342.359	-0.048	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nc1=O	ZINC000973052571	725625114	/nfs/dbraw/zinc/62/51/14/725625114.db2.gz	RHNVJSFMWMEKIX-GFCCVEGCSA-N	-1	1	343.391	-0.051	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC000992851435	725839776	/nfs/dbraw/zinc/83/97/76/725839776.db2.gz	HCAHFGLRIQITIX-IJLUTSLNSA-N	-1	1	341.375	-0.229	20	30		EBEDMM
N#Cc1cnc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)cn1	ZINC001051682045	735320290	/nfs/dbraw/zinc/32/02/90/735320290.db2.gz	KYKPYEYNRPWEEN-DGCLKSJQSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1CN(C(=O)C#CC2CC2)C1	ZINC001003314712	726669121	/nfs/dbraw/zinc/66/91/21/726669121.db2.gz	MEDSMYUWQBXWKK-UHFFFAOYSA-N	-1	1	346.343	-0.502	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001006467560	726770418	/nfs/dbraw/zinc/77/04/18/726770418.db2.gz	LDBGMHFSVDURBX-RKDXNWHRSA-N	-1	1	343.347	-0.846	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001011637759	727552295	/nfs/dbraw/zinc/55/22/95/727552295.db2.gz	OELHXNGWUWAKSL-UHFFFAOYSA-N	-1	1	344.375	-0.086	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C	ZINC001020535508	729197706	/nfs/dbraw/zinc/19/77/06/729197706.db2.gz	KWMIPLUIDFJAKR-VGMNWLOBSA-N	-1	1	349.347	-0.225	20	30		EBEDMM
N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC001026375748	730141515	/nfs/dbraw/zinc/14/15/15/730141515.db2.gz	XUDQMDUOHMBXRY-RWMBFGLXSA-N	-1	1	331.376	-0.723	20	30		EBEDMM
C#Cc1ccc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)cc1	ZINC001031892461	730786023	/nfs/dbraw/zinc/78/60/23/730786023.db2.gz	DPOPUSBAZVJGHA-UHFFFAOYSA-N	-1	1	325.372	-0.049	20	30		EBEDMM
C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)nc1	ZINC001032738384	730921751	/nfs/dbraw/zinc/92/17/51/730921751.db2.gz	ZOSJRTOIZVYDTD-STQMWFEESA-N	-1	1	338.371	-0.416	20	30		EBEDMM
CC[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC[C@H]1NCC#N	ZINC001037965392	731275183	/nfs/dbraw/zinc/27/51/83/731275183.db2.gz	JYBPNWBLWBNDLA-WDEREUQCSA-N	-1	1	329.364	-0.229	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001038683401	731363996	/nfs/dbraw/zinc/36/39/96/731363996.db2.gz	DTAGRBMKJBTZNO-ZDUSSCGKSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038808918	731379268	/nfs/dbraw/zinc/37/92/68/731379268.db2.gz	VLDPFUVIUGYLNP-DYEKYZERSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043032571	732719923	/nfs/dbraw/zinc/71/99/23/732719923.db2.gz	DZMUMAXFKOZGMV-UHFFFAOYSA-N	-1	1	333.344	-0.870	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001048721877	734482504	/nfs/dbraw/zinc/48/25/04/734482504.db2.gz	AXNAXFWOSIVDRV-DYEKYZERSA-N	-1	1	347.371	-0.531	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048852588	734538283	/nfs/dbraw/zinc/53/82/83/734538283.db2.gz	PSKVHXKMSHDEQT-OBJOEFQTSA-N	-1	1	347.371	-0.531	20	30		EBEDMM
C#CCN1C[C@@H]2CCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC001050084324	734838530	/nfs/dbraw/zinc/83/85/30/734838530.db2.gz	CIRBDBSQPMDGND-WCQYABFASA-N	-1	1	331.376	-0.229	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CCOC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001053374902	735853900	/nfs/dbraw/zinc/85/39/00/735853900.db2.gz	RLMCJLJYZRTRHL-UHFFFAOYSA-N	-1	1	335.408	-0.266	20	30		EBEDMM
C=CCCN1CC2(C1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CCO2	ZINC001053474478	735889643	/nfs/dbraw/zinc/88/96/43/735889643.db2.gz	KZIFIPHCILOBRO-UHFFFAOYSA-N	-1	1	348.403	-0.584	20	30		EBEDMM
C=CCCN1CC2(C1)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CCO2	ZINC001053507085	735908627	/nfs/dbraw/zinc/90/86/27/735908627.db2.gz	BYBDQXZKGIAZJL-UHFFFAOYSA-N	-1	1	344.375	-0.480	20	30		EBEDMM
N#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2	ZINC001054227019	736180426	/nfs/dbraw/zinc/18/04/26/736180426.db2.gz	HRMHYHDETUTPFH-MRXNPFEDSA-N	-1	1	341.375	-0.131	20	30		EBEDMM
C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-]	ZINC001067240107	740110938	/nfs/dbraw/zinc/11/09/38/740110938.db2.gz	VESBOOBNFWJYLO-UHFFFAOYSA-N	-1	1	346.387	-0.153	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc1=O	ZINC001074237661	741868138	/nfs/dbraw/zinc/86/81/38/741868138.db2.gz	CPODQZABVUENTG-UONOGXRCSA-N	-1	1	345.403	-0.677	20	30		EBEDMM
C=CCN1CCO[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC001074356646	741910892	/nfs/dbraw/zinc/91/08/92/741910892.db2.gz	NAYGSVLVQVUVMV-KBPBESRZSA-N	-1	1	348.403	-0.586	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1	ZINC001074383036	741921872	/nfs/dbraw/zinc/92/18/72/741921872.db2.gz	USOYLNGSBJGHES-UWVGGRQHSA-N	-1	1	349.347	-0.665	20	30		EBEDMM
N#CCN[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C12CCC2	ZINC001078780668	743733954	/nfs/dbraw/zinc/73/39/54/743733954.db2.gz	PJIHOJSUCHZZMM-WDEREUQCSA-N	-1	1	327.348	-0.428	20	30		EBEDMM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC000982645168	806602626	/nfs/dbraw/zinc/60/26/26/806602626.db2.gz	BVCSMMVKXVWGKT-CALCHBBNSA-N	-1	1	345.403	-0.379	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001016021846	810655772	/nfs/dbraw/zinc/65/57/72/810655772.db2.gz	BFBUCSGVFKSIIT-GFCCVEGCSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C=C(C)CN1CCO[C@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001035578025	810927768	/nfs/dbraw/zinc/92/77/68/810927768.db2.gz	SMCLPUAWGCKRBV-LLVKDONJSA-N	-1	1	332.364	-0.576	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001222603765	811646369	/nfs/dbraw/zinc/64/63/69/811646369.db2.gz	WPMJAUXGYXDYCW-IIYDPXPESA-N	-1	1	349.435	-0.142	20	30		EBEDMM
C#CC[C@@H](C)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473487	811925245	/nfs/dbraw/zinc/92/52/45/811925245.db2.gz	LORRJEPIMWNZDL-RXMQYKEDSA-N	-1	1	333.260	-0.883	20	30		EBEDMM
CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001080413230	812019733	/nfs/dbraw/zinc/01/97/33/812019733.db2.gz	SZLNVRCVVOZYNS-MRVPVSSYSA-N	-1	1	349.347	-0.271	20	30		EBEDMM
C#CCOCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081424376	812910796	/nfs/dbraw/zinc/91/07/96/812910796.db2.gz	DRFQWZANJXEXNV-JSGCOSHPSA-N	-1	1	347.371	-0.624	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081471672	813012206	/nfs/dbraw/zinc/01/22/06/813012206.db2.gz	QNHNNWBAUJXJDK-JSGCOSHPSA-N	-1	1	329.356	-0.250	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)nn1	ZINC001265374562	813314196	/nfs/dbraw/zinc/31/41/96/813314196.db2.gz	OTJKGCUZJHSKTP-JTQLQIEISA-N	-1	1	332.368	-0.414	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc[nH]c2=O)C1	ZINC001269329724	814639475	/nfs/dbraw/zinc/63/94/75/814639475.db2.gz	AOLVMAKOXXALQD-CHWSQXEVSA-N	-1	1	345.403	-0.144	20	30		EBEDMM
Cn1cc(CN2CCC23CN(C(=O)Cc2nn[n-]n2)C3)cc1C#N	ZINC001270182960	815714083	/nfs/dbraw/zinc/71/40/83/815714083.db2.gz	OOGLMFJJXNYNBJ-UHFFFAOYSA-N	-1	1	326.364	-0.561	20	30		EBEDMM
Cn1cc(CN2C[C@H]3C[C@@H](C2)N3C(=O)Cc2nn[n-]n2)cc1C#N	ZINC001270183566	815714737	/nfs/dbraw/zinc/71/47/37/815714737.db2.gz	ZVQPIWKQZQVTTJ-BETUJISGSA-N	-1	1	326.364	-0.562	20	30		EBEDMM
C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001085810275	816152733	/nfs/dbraw/zinc/15/27/33/816152733.db2.gz	ZJYZYPFMEGYPMV-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
C#CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC2(CCOCC2)C1	ZINC001089947023	816950012	/nfs/dbraw/zinc/95/00/12/816950012.db2.gz	USHUBODDHNELTI-NSHDSACASA-N	-1	1	347.375	-0.483	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H](O)C1	ZINC001090404648	817366633	/nfs/dbraw/zinc/36/66/33/817366633.db2.gz	UCZXNBBWNINZAN-HZPDHXFCSA-N	-1	1	348.447	-0.050	20	30		EBEDMM
C#CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001280283122	818031601	/nfs/dbraw/zinc/03/16/01/818031601.db2.gz	OISBMDVYGMRPIC-OLZOCXBDSA-N	-1	1	348.403	-0.260	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)C1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001281352675	818154307	/nfs/dbraw/zinc/15/43/07/818154307.db2.gz	CWVQWPIDUDVKJO-VOMCLLRMSA-N	-1	1	347.375	-0.808	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)nc1	ZINC001097950804	819061792	/nfs/dbraw/zinc/06/17/92/819061792.db2.gz	WKVXUOUGPFKJEF-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ccc(C#N)cn1	ZINC001097950821	819062130	/nfs/dbraw/zinc/06/21/30/819062130.db2.gz	WXLIVZSTMNKMDG-SECBINFHSA-N	-1	1	338.331	-0.085	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1cncc(C#N)n1	ZINC001097952022	819063168	/nfs/dbraw/zinc/06/31/68/819063168.db2.gz	KMRKZUKGGDMGLP-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1ccnc(C#N)n1	ZINC001097952300	819063543	/nfs/dbraw/zinc/06/35/43/819063543.db2.gz	QHDMGYWTLHDQPV-SSDOTTSWSA-N	-1	1	345.319	-0.790	20	30		EBEDMM
C#CCCCC(=O)NC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284226384	819138635	/nfs/dbraw/zinc/13/86/35/819138635.db2.gz	HAIHYDMTTQEROH-GFCCVEGCSA-N	-1	1	334.376	-0.649	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2nc(=O)n(C)[n-]2)C1	ZINC001099227628	819437432	/nfs/dbraw/zinc/43/74/32/819437432.db2.gz	NCELHSBMDAKCOO-DJLDLDEBSA-N	-1	1	346.313	-0.253	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ncccc2[O-])nc1	ZINC001285431529	819592474	/nfs/dbraw/zinc/59/24/74/819592474.db2.gz	LWSPPYKIQSGXEX-GFCCVEGCSA-N	-1	1	340.339	-0.316	20	30		EBEDMM
C#CCCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099786978	819696888	/nfs/dbraw/zinc/69/68/88/819696888.db2.gz	SMYZNGHBIWCRTD-CHWSQXEVSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099848365	819776934	/nfs/dbraw/zinc/77/69/34/819776934.db2.gz	UWZCCRZNVXGPMI-ZIAGYGMSSA-N	-1	1	349.435	-0.072	20	30		EBEDMM
CC#CCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099962188	819966061	/nfs/dbraw/zinc/96/60/61/819966061.db2.gz	KYHYENGKZVAMJG-QWHCGFSZSA-N	-1	1	335.408	-0.647	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)C#CC2CC2)C1	ZINC001295054414	821043524	/nfs/dbraw/zinc/04/35/24/821043524.db2.gz	VOUMFOOWIFMOPF-JTQLQIEISA-N	-1	1	346.343	-0.360	20	30		EBEDMM
C=C[C@@H](CC)CC(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297124763	821325201	/nfs/dbraw/zinc/32/52/01/821325201.db2.gz	VTSTYCFUUIJDFX-LBPRGKRZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)nc1=O	ZINC001107932680	824046082	/nfs/dbraw/zinc/04/60/82/824046082.db2.gz	RARRHASZKVTPMB-INIZCTEOSA-N	-1	1	333.392	-0.771	20	30		EBEDMM
C=CCCN1CCO[C@@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001108113305	824129317	/nfs/dbraw/zinc/12/93/17/824129317.db2.gz	JHHZLYPABWQUBD-INIZCTEOSA-N	-1	1	336.392	-0.117	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109213546	824505813	/nfs/dbraw/zinc/50/58/13/824505813.db2.gz	SHBFWLAOSPKYRF-YRORDHRNSA-N	-1	1	335.408	-0.343	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111743099	825308163	/nfs/dbraw/zinc/30/81/63/825308163.db2.gz	ZAUKCXLROIYIBP-DCGLDWPTSA-N	-1	1	347.419	-0.383	20	30		EBEDMM
C=CCOCCN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001113434435	825873718	/nfs/dbraw/zinc/87/37/18/825873718.db2.gz	HWDUSHAOXGCHSV-UHFFFAOYSA-N	-1	1	336.392	-0.727	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21	ZINC001114047416	826122265	/nfs/dbraw/zinc/12/22/65/826122265.db2.gz	FRSOYPFXKACXNA-LAQFHYBYSA-N	-1	1	343.387	-0.228	20	30		EBEDMM
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1nonc1N	ZINC001180784572	833110426	/nfs/dbraw/zinc/11/04/26/833110426.db2.gz	XDNLMJHULDLAFA-LURJTMIESA-N	-1	1	344.328	-0.265	20	30		EBEDMM
C#CCN1CCC[C@H]1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001119582467	827122704	/nfs/dbraw/zinc/12/27/04/827122704.db2.gz	YAVWMNQXWDWNDC-YOEHRIQHSA-N	-1	1	335.404	-0.528	20	30		EBEDMM
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-][C@H](C#N)C(N)=O)CC1	ZINC001185779397	833369896	/nfs/dbraw/zinc/36/98/96/833369896.db2.gz	BNEPVSHFJILGHZ-SNVBAGLBSA-N	-1	1	346.409	-0.317	20	30		EBEDMM
C[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1CNCC#N	ZINC001133171481	829597535	/nfs/dbraw/zinc/59/75/35/829597535.db2.gz	ZKAMKQJSGNMABO-QWHCGFSZSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
C=CCOCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001149431614	830662895	/nfs/dbraw/zinc/66/28/95/830662895.db2.gz	LMYULOCCJNVLMZ-LBPRGKRZSA-N	-1	1	339.396	-0.982	20	30		EBEDMM
C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2nn[n-]n2)s1	ZINC001168360042	832416281	/nfs/dbraw/zinc/41/62/81/832416281.db2.gz	VICHQZZISMXCRA-UHFFFAOYSA-N	-1	1	342.406	-0.069	20	30		EBEDMM
N#Cc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])o1	ZINC001192692176	834716664	/nfs/dbraw/zinc/71/66/64/834716664.db2.gz	UXRFNAIRSYWWHF-NSHDSACASA-N	-1	1	345.315	-0.194	20	30		EBEDMM
N#Cc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])[nH]1	ZINC001199683123	835844771	/nfs/dbraw/zinc/84/47/71/835844771.db2.gz	QUUSKNQMLXSKCZ-LBPRGKRZSA-N	-1	1	344.331	-0.459	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200377036	835957804	/nfs/dbraw/zinc/95/78/04/835957804.db2.gz	AXVQDUHMXUAIHO-XHDPSFHLSA-N	-1	1	339.396	-0.456	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001200478671	835972054	/nfs/dbraw/zinc/97/20/54/835972054.db2.gz	LDGAAPUMWFBNOU-NWDGAFQWSA-N	-1	1	337.380	-0.744	20	30		EBEDMM
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001206898039	836697974	/nfs/dbraw/zinc/69/79/74/836697974.db2.gz	ZVLJXLZUVRYHIQ-JHJVBQTASA-N	-1	1	330.388	-0.025	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)nc1	ZINC001322280241	839165911	/nfs/dbraw/zinc/16/59/11/839165911.db2.gz	FYFBIUZHYFMPQG-LLVKDONJSA-N	-1	1	328.376	-0.265	20	30		EBEDMM
C#CCCN1CC[C@@](C)(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001324655499	839696619	/nfs/dbraw/zinc/69/66/19/839696619.db2.gz	FJOJYNYFWCCHNL-MRXNPFEDSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
C=CCCC(=O)N1CC([C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001335070456	842183373	/nfs/dbraw/zinc/18/33/73/842183373.db2.gz	POHFNVFAAKNGFV-LBPRGKRZSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001345761901	843431937	/nfs/dbraw/zinc/43/19/37/843431937.db2.gz	OINNBEWEWFYPGU-YPMHNXCESA-N	-1	1	335.360	-0.319	20	30		EBEDMM
CC(C)C#CC(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001349994524	843956812	/nfs/dbraw/zinc/95/68/12/843956812.db2.gz	JVCCYNNHQIRXNV-UHFFFAOYSA-N	-1	1	330.348	-0.687	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573285178	946770971	/nfs/dbraw/zinc/77/09/71/946770971.db2.gz	DVWIMGDHIKEPNA-WDEREUQCSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573285178	946770980	/nfs/dbraw/zinc/77/09/80/946770980.db2.gz	DVWIMGDHIKEPNA-WDEREUQCSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573286177	946796716	/nfs/dbraw/zinc/79/67/16/946796716.db2.gz	VRENZSKVQICTSK-WDEREUQCSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573286177	946796722	/nfs/dbraw/zinc/79/67/22/946796722.db2.gz	VRENZSKVQICTSK-WDEREUQCSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573286176	946797040	/nfs/dbraw/zinc/79/70/40/946797040.db2.gz	VRENZSKVQICTSK-GHMZBOCLSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573286176	946797046	/nfs/dbraw/zinc/79/70/46/946797046.db2.gz	VRENZSKVQICTSK-GHMZBOCLSA-N	-1	1	342.363	-0.292	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573286746	946819170	/nfs/dbraw/zinc/81/91/70/946819170.db2.gz	IBKMSBYQLZAWMD-VHSXEESVSA-N	-1	1	330.352	-0.967	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573287256	946833770	/nfs/dbraw/zinc/83/37/70/946833770.db2.gz	APYUOTZFLBSZMJ-LLVKDONJSA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573287256	946833774	/nfs/dbraw/zinc/83/37/74/946833774.db2.gz	APYUOTZFLBSZMJ-LLVKDONJSA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573287626	946842828	/nfs/dbraw/zinc/84/28/28/946842828.db2.gz	OJKGZKHUXVVWOQ-MNOVXSKESA-N	-1	1	344.379	-0.576	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573289547	946885230	/nfs/dbraw/zinc/88/52/30/946885230.db2.gz	NUWAJSLVFXCXQJ-XYPYZODXSA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573289547	946885239	/nfs/dbraw/zinc/88/52/39/946885239.db2.gz	NUWAJSLVFXCXQJ-XYPYZODXSA-N	-1	1	342.363	-0.244	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573290531	946905202	/nfs/dbraw/zinc/90/52/02/946905202.db2.gz	YLHQCYKZZBHSJK-NSHDSACASA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573290531	946905213	/nfs/dbraw/zinc/90/52/13/946905213.db2.gz	YLHQCYKZZBHSJK-NSHDSACASA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573560723	946955452	/nfs/dbraw/zinc/95/54/52/946955452.db2.gz	FOJNYUBWLAAPQT-UWVGGRQHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573561221	946960333	/nfs/dbraw/zinc/96/03/33/946960333.db2.gz	JEUGZVJYTRFTNU-UWVGGRQHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573561221	946960339	/nfs/dbraw/zinc/96/03/39/946960339.db2.gz	JEUGZVJYTRFTNU-UWVGGRQHSA-N	-1	1	345.367	-0.928	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573294173	946979289	/nfs/dbraw/zinc/97/92/89/946979289.db2.gz	XIRNQNYTBHRHRK-JTQLQIEISA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573294173	946979298	/nfs/dbraw/zinc/97/92/98/946979298.db2.gz	XIRNQNYTBHRHRK-JTQLQIEISA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573564181	946989979	/nfs/dbraw/zinc/98/99/79/946989979.db2.gz	HLFIXZOEDXUPAS-JTQLQIEISA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1	ZINC001573570072	947084200	/nfs/dbraw/zinc/08/42/00/947084200.db2.gz	JRMBJYRITAGLEQ-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1	ZINC001573570072	947084210	/nfs/dbraw/zinc/08/42/10/947084210.db2.gz	JRMBJYRITAGLEQ-VHSXEESVSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1	ZINC001573570076	947084595	/nfs/dbraw/zinc/08/45/95/947084595.db2.gz	JSKKLBIKRQTBKZ-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1	ZINC001573570076	947084603	/nfs/dbraw/zinc/08/46/03/947084603.db2.gz	JSKKLBIKRQTBKZ-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573571960	947107184	/nfs/dbraw/zinc/10/71/84/947107184.db2.gz	BVFXKKXCJNWLPW-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573571960	947107191	/nfs/dbraw/zinc/10/71/91/947107191.db2.gz	BVFXKKXCJNWLPW-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC001573582497	947192125	/nfs/dbraw/zinc/19/21/25/947192125.db2.gz	DXBRJEISHDBHIS-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC001573582497	947192129	/nfs/dbraw/zinc/19/21/29/947192129.db2.gz	DXBRJEISHDBHIS-VHSXEESVSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573309426	947198816	/nfs/dbraw/zinc/19/88/16/947198816.db2.gz	IUCNWVYIRAFDSH-BONVTDFDSA-N	-1	1	346.395	-0.288	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1	ZINC001573583725	947208989	/nfs/dbraw/zinc/20/89/89/947208989.db2.gz	OEAHYYKDIOVACC-VHSXEESVSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21	ZINC001573584900	947239359	/nfs/dbraw/zinc/23/93/59/947239359.db2.gz	AOIZIAGRGCKAQK-AXTSPUMRSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21	ZINC001573584900	947239372	/nfs/dbraw/zinc/23/93/72/947239372.db2.gz	AOIZIAGRGCKAQK-AXTSPUMRSA-N	-1	1	325.336	-0.633	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C	ZINC001573585202	947248655	/nfs/dbraw/zinc/24/86/55/947248655.db2.gz	CYBQVVHFVMQESA-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C	ZINC001573585202	947248670	/nfs/dbraw/zinc/24/86/70/947248670.db2.gz	CYBQVVHFVMQESA-BBBLOLIVSA-N	-1	1	327.352	-0.100	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573330005	947431266	/nfs/dbraw/zinc/43/12/66/947431266.db2.gz	SALRIWQLIVAMEJ-SNVBAGLBSA-N	-1	1	332.368	-0.146	20	30		EBEDMM
C=CCCC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573330005	947431273	/nfs/dbraw/zinc/43/12/73/947431273.db2.gz	SALRIWQLIVAMEJ-SNVBAGLBSA-N	-1	1	332.368	-0.146	20	30		EBEDMM
C=CCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573343869	947564517	/nfs/dbraw/zinc/56/45/17/947564517.db2.gz	UOKLUWSVXICLOY-SNVBAGLBSA-N	-1	1	330.352	-0.128	20	30		EBEDMM
C=CCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573343869	947564524	/nfs/dbraw/zinc/56/45/24/947564524.db2.gz	UOKLUWSVXICLOY-SNVBAGLBSA-N	-1	1	330.352	-0.128	20	30		EBEDMM
C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cnc(C#N)n1	ZINC001573730106	948577867	/nfs/dbraw/zinc/57/78/67/948577867.db2.gz	NANHAFNMBPSTBT-ZCFIWIBFSA-N	-1	1	330.337	-0.336	20	30		EBEDMM
C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cnc(C#N)n1	ZINC001573730106	948577869	/nfs/dbraw/zinc/57/78/69/948577869.db2.gz	NANHAFNMBPSTBT-ZCFIWIBFSA-N	-1	1	330.337	-0.336	20	30		EBEDMM
N#Cc1ncc(N2CCO[C@H](C(=O)C3CC3)C2)nc1-c1nn[n-]n1	ZINC001570925889	948678726	/nfs/dbraw/zinc/67/87/26/948678726.db2.gz	QZWPMYDGYVWDAQ-JTQLQIEISA-N	-1	1	326.320	-0.287	20	30		EBEDMM
Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)[C@H](C)C#N)CC2)n1	ZINC001570926628	948693935	/nfs/dbraw/zinc/69/39/35/948693935.db2.gz	CLRULPRRVXNMBN-SECBINFHSA-N	-1	1	327.352	-0.227	20	30		EBEDMM
Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)[C@H](C)C#N)CC2)n1	ZINC001570926628	948693937	/nfs/dbraw/zinc/69/39/37/948693937.db2.gz	CLRULPRRVXNMBN-SECBINFHSA-N	-1	1	327.352	-0.227	20	30		EBEDMM
COC(=O)C1(C#N)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001570935869	949000131	/nfs/dbraw/zinc/00/01/31/949000131.db2.gz	QRQSGEWROQNTOJ-UHFFFAOYSA-N	-1	1	339.319	-0.188	20	30		EBEDMM
COC(=O)C1(C#N)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001570935869	949000150	/nfs/dbraw/zinc/00/01/50/949000150.db2.gz	QRQSGEWROQNTOJ-UHFFFAOYSA-N	-1	1	339.319	-0.188	20	30		EBEDMM
CC[C@@H](CNS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[n-]n2)n1	ZINC001570936468	949033570	/nfs/dbraw/zinc/03/35/70/949033570.db2.gz	XJGOPDUSDPWWEQ-ZETCQYMHSA-N	-1	1	337.369	-0.732	20	30		EBEDMM
N#Cc1ncc(N2CC[C@@H](CN3CCCC3=O)C2)nc1-c1nn[n-]n1	ZINC001570937040	949070852	/nfs/dbraw/zinc/07/08/52/949070852.db2.gz	XKIINIBBRRUIDD-SNVBAGLBSA-N	-1	1	339.363	-0.023	20	30		EBEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC001609691349	970448113	/nfs/dbraw/zinc/44/81/13/970448113.db2.gz	KFJXGJDROGCFSS-OAHLLOKOSA-N	-1	1	339.392	-0.323	20	30		EBEDMM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	ZINC001588382137	983368715	/nfs/dbraw/zinc/36/87/15/983368715.db2.gz	HGRHONVIDFTFDC-ZDUSSCGKSA-N	-1	1	335.404	-0.134	20	30		EBEDMM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC001588622980	983726030	/nfs/dbraw/zinc/72/60/30/983726030.db2.gz	IDJMNJKBMKYYKK-AWEZNQCLSA-N	-1	1	325.409	-0.070	20	30		EBEDMM
CN1CCN(CCN(CC(=O)[O-])S(=O)(=O)CCCCC#N)CC1	ZINC001598616235	993886509	/nfs/dbraw/zinc/88/65/09/993886509.db2.gz	CKIKHLRTFRFSBR-UHFFFAOYSA-N	-1	1	346.453	-0.356	20	30		EBEDMM
C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc[nH]c1=O	ZINC001481053039	1125914335	/nfs/dbraw/zinc/91/43/35/1125914335.db2.gz	PVGPPAFIVJZSMU-GFCCVEGCSA-N	-1	1	331.376	-0.566	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001481400018	1125982024	/nfs/dbraw/zinc/98/20/24/1125982024.db2.gz	ORLYVCKBPPEDDG-KGLIPLIRSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
C#CCOc1ccc(C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)cc1	ZINC001482776791	1126285987	/nfs/dbraw/zinc/28/59/87/1126285987.db2.gz	HNHRZXNZEVHYPV-LBPRGKRZSA-N	-1	1	345.359	-0.597	20	30		EBEDMM
COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(C)(C)C1	ZINC001484935976	1126653715	/nfs/dbraw/zinc/65/37/15/1126653715.db2.gz	DDWVVZXUMGWNIW-NSHDSACASA-N	-1	1	349.391	-0.237	20	30		EBEDMM
COCC#CCN1CC(N2CCN(C(=O)c3ncccc3[O-])CC2)C1	ZINC001484946319	1126656346	/nfs/dbraw/zinc/65/63/46/1126656346.db2.gz	VTESJDBSMNQYIG-UHFFFAOYSA-N	-1	1	344.415	-0.121	20	30		EBEDMM
CC(C)[C@@H](CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O)NCC#N	ZINC001485438778	1126717691	/nfs/dbraw/zinc/71/76/91/1126717691.db2.gz	AUSFXVWTXRHVNF-CYBMUJFWSA-N	-1	1	335.408	-0.087	20	30		EBEDMM
CN1CCn2c(CNC(=O)c3ccc(C#N)c([O-])c3)nnc2C1=O	ZINC001413512351	1130117583	/nfs/dbraw/zinc/11/75/83/1130117583.db2.gz	YTZBLYRULUHUMT-UHFFFAOYSA-N	-1	1	326.316	-0.129	20	30		EBEDMM
CCn1cc(C#N)c(=O)n(Cc2nc3c(c(=O)[n-]2)COCC3)c1=O	ZINC001472971919	1130865867	/nfs/dbraw/zinc/86/58/67/1130865867.db2.gz	SPDNRLVUTLYDFN-UHFFFAOYSA-N	-1	1	329.316	-0.482	20	30		EBEDMM
N#Cc1cn(CCC(=O)NCCN2CCCOCC2)c(=O)[n-]c1=O	ZINC001362369054	1131569538	/nfs/dbraw/zinc/56/95/38/1131569538.db2.gz	IPNHCUNCCVUIIA-UHFFFAOYSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
Cc1nn(C)c(N2CCN(C(=O)CCCc3nn[n-]n3)CC2)c1C#N	ZINC001362586854	1131617826	/nfs/dbraw/zinc/61/78/26/1131617826.db2.gz	AFIPUDFQEVZGJK-UHFFFAOYSA-N	-1	1	343.395	-0.215	20	30		EBEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC001364055138	1132186581	/nfs/dbraw/zinc/18/65/81/1132186581.db2.gz	VRKXFNQRVRINLJ-VXGBXAGGSA-N	-1	1	348.377	-0.725	20	30		EBEDMM
CCOC(=O)N1C[C@@H](CO)[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC001365746520	1132789644	/nfs/dbraw/zinc/78/96/44/1132789644.db2.gz	GBAWORIBJQLETN-GXSJLCMTSA-N	-1	1	343.361	-0.121	20	30		EBEDMM
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OC	ZINC000287265941	376413664	/nfs/dbraw/zinc/41/36/64/376413664.db2.gz	HYPGDYKMECFFAG-SECBINFHSA-N	-1	1	330.318	-0.076	20	30		EBEDMM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000427489274	376828587	/nfs/dbraw/zinc/82/85/87/376828587.db2.gz	ABVAMOGTPAPWJY-VIFPVBQESA-N	-1	1	342.377	-0.289	20	30		EBEDMM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)NCC#N)c1F	ZINC000599308024	378221640	/nfs/dbraw/zinc/22/16/40/378221640.db2.gz	PPFJHPDEIHFEBX-UHFFFAOYSA-N	-1	1	347.299	-0.331	20	30		EBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1	ZINC000491768670	379624202	/nfs/dbraw/zinc/62/42/02/379624202.db2.gz	LDCUMQVXPBJBFM-UHFFFAOYSA-N	-1	1	348.388	-0.224	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1	ZINC000566486115	380474583	/nfs/dbraw/zinc/47/45/83/380474583.db2.gz	VDHGUDNSFGEXDU-SNVBAGLBSA-N	-1	1	349.438	-0.037	20	30		EBEDMM
Cc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)NCC#N	ZINC000609532105	380812262	/nfs/dbraw/zinc/81/22/62/380812262.db2.gz	GAIBPVATINXUBM-UHFFFAOYSA-N	-1	1	335.349	-0.760	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000280518485	380936577	/nfs/dbraw/zinc/93/65/77/380936577.db2.gz	DPKGYPHZVIGGBJ-JQWIXIFHSA-N	-1	1	343.405	-0.657	20	30		EBEDMM
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349577817	381146856	/nfs/dbraw/zinc/14/68/56/381146856.db2.gz	VNOBSUKDBXLVAN-UHFFFAOYSA-N	-1	1	332.407	-0.024	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC2)NC(=O)NC3=O)o1	ZINC000344766002	156261954	/nfs/dbraw/zinc/26/19/54/156261954.db2.gz	BGIILNURMFRPLX-UHFFFAOYSA-N	-1	1	338.345	-0.050	20	30		EBEDMM
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000344777379	156263733	/nfs/dbraw/zinc/26/37/33/156263733.db2.gz	UVLYWTHBCKAPLK-DTWKUNHWSA-N	-1	1	343.361	-0.114	20	30		EBEDMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1=O	ZINC000344833532	156270477	/nfs/dbraw/zinc/27/04/77/156270477.db2.gz	YENIEXWJNDGMIG-LLVKDONJSA-N	-1	1	325.321	-0.126	20	30		EBEDMM
Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C#N)o3)C2=O)cn1	ZINC000286775549	419015099	/nfs/dbraw/zinc/01/50/99/419015099.db2.gz	FVPDWSOYGLXKFM-NSHDSACASA-N	-1	1	335.345	-0.031	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1[O-]	ZINC000442653491	265325093	/nfs/dbraw/zinc/32/50/93/265325093.db2.gz	SPEILMVFBGZQMD-JTQLQIEISA-N	-1	1	338.389	-0.091	20	30		EBEDMM
C=CCNC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735431251	582894595	/nfs/dbraw/zinc/89/45/95/582894595.db2.gz	AEZCJXRTKRTOPZ-UHFFFAOYSA-N	-1	1	331.292	-0.570	20	30		EBEDMM
C=CCNC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735431251	582894597	/nfs/dbraw/zinc/89/45/97/582894597.db2.gz	AEZCJXRTKRTOPZ-UHFFFAOYSA-N	-1	1	331.292	-0.570	20	30		EBEDMM
COC(=O)Cn1cc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)nn1	ZINC000821663522	583799961	/nfs/dbraw/zinc/79/99/61/583799961.db2.gz	BCAOXWRHJHWKRT-UHFFFAOYSA-N	-1	1	346.311	-0.236	20	30		EBEDMM
COc1ncnc(N)c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O	ZINC000821919573	583805516	/nfs/dbraw/zinc/80/55/16/583805516.db2.gz	DAGLSCISLIPICH-UHFFFAOYSA-N	-1	1	341.335	-0.092	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OCC#N)cc2)c1=O	ZINC000826356949	583893783	/nfs/dbraw/zinc/89/37/83/583893783.db2.gz	LVIHCHHGZNMPMT-UHFFFAOYSA-N	-1	1	339.315	-0.322	20	30		EBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C#N)c2F)c1=O	ZINC000826357076	583893995	/nfs/dbraw/zinc/89/39/95/583893995.db2.gz	QDRAONVYFQHWBJ-UHFFFAOYSA-N	-1	1	327.279	-0.214	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CC(=O)Nc2ccccc21	ZINC000826383019	583895708	/nfs/dbraw/zinc/89/57/08/583895708.db2.gz	GMVFSCRZXICDKY-UHFFFAOYSA-N	-1	1	349.314	-0.080	20	30		EBEDMM
C#CC[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)OC	ZINC000841539710	584053760	/nfs/dbraw/zinc/05/37/60/584053760.db2.gz	FEJGCXKDVKTING-WDEREUQCSA-N	-1	1	332.378	-0.587	20	30		EBEDMM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000739079514	600402974	/nfs/dbraw/zinc/40/29/74/600402974.db2.gz	YGXAJJYNCWAXKO-UHFFFAOYSA-N	-1	1	342.311	-0.305	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000944249266	652730007	/nfs/dbraw/zinc/73/00/07/652730007.db2.gz	MFGZPKDINRIQFU-VHSXEESVSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000939398026	652925335	/nfs/dbraw/zinc/92/53/35/652925335.db2.gz	SJVQAQNOLKGZGC-ZJUUUORDSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C#CCCN1CCOC2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1	ZINC000949409058	653888603	/nfs/dbraw/zinc/88/86/03/653888603.db2.gz	XABLDYXKTIOLAQ-UHFFFAOYSA-N	-1	1	347.375	-0.387	20	30		EBEDMM
C=CCCn1cc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC000951607662	654210084	/nfs/dbraw/zinc/21/00/84/654210084.db2.gz	UKBPLBAPKVLNPD-UHFFFAOYSA-N	-1	1	346.395	-0.766	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000957219568	722176255	/nfs/dbraw/zinc/17/62/55/722176255.db2.gz	IIPBZWHDBKEYJA-BJOHPYRUSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC000960330674	722819604	/nfs/dbraw/zinc/81/96/04/722819604.db2.gz	MGEVURSZIAPZTL-TZMCWYRMSA-N	-1	1	327.344	-0.306	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21	ZINC000960885196	722876974	/nfs/dbraw/zinc/87/69/74/722876974.db2.gz	XKBHCRKHTBXQBF-GMXVVIOVSA-N	-1	1	330.344	-0.001	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000971292537	725358322	/nfs/dbraw/zinc/35/83/22/725358322.db2.gz	VSCPAWLCCCISAE-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000972298834	725493824	/nfs/dbraw/zinc/49/38/24/725493824.db2.gz	VTGVPATYFAZAHT-XHDPSFHLSA-N	-1	1	334.380	-0.929	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC000992861329	725841115	/nfs/dbraw/zinc/84/11/15/725841115.db2.gz	QTHQEXOMEWOZMP-HZSPNIEDSA-N	-1	1	345.403	-0.333	20	30		EBEDMM
C=CCn1cc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001000405104	726566272	/nfs/dbraw/zinc/56/62/72/726566272.db2.gz	QILNGKZYIJFSBS-JTQLQIEISA-N	-1	1	332.368	-0.318	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001009267036	726883676	/nfs/dbraw/zinc/88/36/76/726883676.db2.gz	CEVIFIAGPZZVFO-AWEZNQCLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#Cc1cncc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051818235	735412274	/nfs/dbraw/zinc/41/22/74/735412274.db2.gz	YSLUTAIIWHIQIB-CYBMUJFWSA-N	-1	1	342.359	-0.483	20	30		EBEDMM
O=C(C#CC1CC1)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001011109187	727209320	/nfs/dbraw/zinc/20/93/20/727209320.db2.gz	SAYDUTXGXZNAQW-UHFFFAOYSA-N	-1	1	340.343	-0.885	20	30		EBEDMM
C#CCCN1CCN([C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1	ZINC001052047445	735520051	/nfs/dbraw/zinc/52/00/51/735520051.db2.gz	NBAQYKJZVIORQB-LBPRGKRZSA-N	-1	1	346.391	-0.862	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC001027813626	730240702	/nfs/dbraw/zinc/24/07/02/730240702.db2.gz	XQCFCFFMKKUWHX-NSHDSACASA-N	-1	1	329.364	-0.297	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC001027833097	730241606	/nfs/dbraw/zinc/24/16/06/730241606.db2.gz	NDBOGMRRTVASIP-GFCCVEGCSA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C=CCn1cc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001028187429	730273060	/nfs/dbraw/zinc/27/30/60/730273060.db2.gz	JUXQVYKHFMRKLN-LLVKDONJSA-N	-1	1	346.395	-0.720	20	30		EBEDMM
C=CCCn1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001032041332	730806067	/nfs/dbraw/zinc/80/60/67/730806067.db2.gz	JMRZZYYXRYXAOR-UHFFFAOYSA-N	-1	1	346.395	-0.862	20	30		EBEDMM
N#CCN1CC[C@@]2(CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)C1	ZINC001041740695	732211192	/nfs/dbraw/zinc/21/11/92/732211192.db2.gz	CIAUXJMKYNJAGW-MRXNPFEDSA-N	-1	1	331.376	-0.625	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061584486	738626334	/nfs/dbraw/zinc/62/63/34/738626334.db2.gz	IOKJZJQDJOVFHV-QWHCGFSZSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
N#CCN1CCC2(CN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)CC1	ZINC001050700596	734947173	/nfs/dbraw/zinc/94/71/73/734947173.db2.gz	JUIKJMHCEHFHIR-UHFFFAOYSA-N	-1	1	331.376	-0.625	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@H]2COC3(CN(Cc4nc(=O)n(C)[n-]4)C3)C2)C1	ZINC001053919061	736095181	/nfs/dbraw/zinc/09/51/81/736095181.db2.gz	CJZHHYRVMONJEA-GFCCVEGCSA-N	-1	1	347.419	-0.076	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O	ZINC001065587070	739779690	/nfs/dbraw/zinc/77/96/90/739779690.db2.gz	SKLGBGGLWOMKMI-AAEUAGOBSA-N	-1	1	340.343	-0.229	20	30		EBEDMM
C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2[O-])n1	ZINC001070585093	740879790	/nfs/dbraw/zinc/87/97/90/740879790.db2.gz	QFDXSNFPCQNIOC-LLVKDONJSA-N	-1	1	342.359	-0.158	20	30		EBEDMM
C#CCN1CCOC[C@@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1	ZINC001070585093	740879794	/nfs/dbraw/zinc/87/97/94/740879794.db2.gz	QFDXSNFPCQNIOC-LLVKDONJSA-N	-1	1	342.359	-0.158	20	30		EBEDMM
N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2[O-])n1	ZINC001070585086	740880249	/nfs/dbraw/zinc/88/02/49/740880249.db2.gz	PWNQQSSPGOFGNL-SNVBAGLBSA-N	-1	1	343.347	-0.268	20	30		EBEDMM
N#CCN1CCOC[C@@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1	ZINC001070585086	740880254	/nfs/dbraw/zinc/88/02/54/740880254.db2.gz	PWNQQSSPGOFGNL-SNVBAGLBSA-N	-1	1	343.347	-0.268	20	30		EBEDMM
C=CCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001072392437	741387740	/nfs/dbraw/zinc/38/77/40/741387740.db2.gz	BMJMGCDZUFYRIJ-CHWSQXEVSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001072392438	741388226	/nfs/dbraw/zinc/38/82/26/741388226.db2.gz	BMJMGCDZUFYRIJ-OLZOCXBDSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nc1=O	ZINC001075709332	742278907	/nfs/dbraw/zinc/27/89/07/742278907.db2.gz	FSCBOSZVUVTFDE-GXFFZTMASA-N	-1	1	341.375	-0.345	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1	ZINC000979283992	805261375	/nfs/dbraw/zinc/26/13/75/805261375.db2.gz	APNFHBJCNZKLTP-BXKDBHETSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)[C@@H]1C	ZINC000989043226	808355160	/nfs/dbraw/zinc/35/51/60/808355160.db2.gz	KWMIPLUIDFJAKR-HLTSFMKQSA-N	-1	1	349.347	-0.225	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1	ZINC001221056476	811355568	/nfs/dbraw/zinc/35/55/68/811355568.db2.gz	ALJAFEFDPUVNSI-ZJUUUORDSA-N	-1	1	335.326	-0.372	20	30		EBEDMM
O=S(=O)([O-])C[C@H](C[n+]1ccccc1)Oc1nccc(/C=N/[O-])n1	ZINC001226258252	811855075	/nfs/dbraw/zinc/85/50/75/811855075.db2.gz	SHGFWOLBBMHTFJ-AAWHYMEISA-O	-1	1	339.353	-0.092	20	30		EBEDMM
CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081425993	812917884	/nfs/dbraw/zinc/91/78/84/812917884.db2.gz	YVQXFDDXPONPJF-GXTWGEPZSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001081428525	812922980	/nfs/dbraw/zinc/92/29/80/812922980.db2.gz	RMIAEBBFONCPSU-GXTWGEPZSA-N	-1	1	349.387	-0.071	20	30		EBEDMM
C=C1CC(C)(C(=O)NCCN2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1	ZINC001265264420	813284082	/nfs/dbraw/zinc/28/40/82/813284082.db2.gz	PIWAUHMJBJOKFM-UHFFFAOYSA-N	-1	1	348.451	-0.302	20	30		EBEDMM
O=C(CC#Cc1ccccc1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001268333895	814214123	/nfs/dbraw/zinc/21/41/23/814214123.db2.gz	HUJKGWNQHBLOCE-ZDUSSCGKSA-N	-1	1	329.360	-0.481	20	30		EBEDMM
C=C(Cl)CN1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1	ZINC001083949947	815732835	/nfs/dbraw/zinc/73/28/35/815732835.db2.gz	UIIYQYSRPWPVAB-SFYZADRCSA-N	-1	1	344.755	-0.576	20	30		EBEDMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1c[nH]c(C#N)c1	ZINC001085556687	816071871	/nfs/dbraw/zinc/07/18/71/816071871.db2.gz	XKCDDKMYCYJGRJ-LBPRGKRZSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C#CCN1C(=O)COCC12CN(C(=O)c1cnc(SC)[n-]c1=O)C2	ZINC001272233380	816361874	/nfs/dbraw/zinc/36/18/74/816361874.db2.gz	HDMUCCKIAKLMDH-UHFFFAOYSA-N	-1	1	348.384	-0.409	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)cn1	ZINC001275976672	817327627	/nfs/dbraw/zinc/32/76/27/817327627.db2.gz	HFSLRHRKYYTZEP-LLVKDONJSA-N	-1	1	328.376	-0.265	20	30		EBEDMM
CC#CCN1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H](O)C1	ZINC001090404650	817366671	/nfs/dbraw/zinc/36/66/71/817366671.db2.gz	UCZXNBBWNINZAN-JKSUJKDBSA-N	-1	1	348.447	-0.050	20	30		EBEDMM
C#CCCCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@@H]1C	ZINC001276974119	817504440	/nfs/dbraw/zinc/50/44/40/817504440.db2.gz	YCGUWCJILFTLGU-NSHDSACASA-N	-1	1	343.395	-0.864	20	30		EBEDMM
C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1	ZINC001090554253	817536265	/nfs/dbraw/zinc/53/62/65/817536265.db2.gz	WFTJPYBWFDSJSZ-VXGBXAGGSA-N	-1	1	335.408	-0.484	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001278309467	817740382	/nfs/dbraw/zinc/74/03/82/817740382.db2.gz	FMMAGYWRTJUYLW-MJBXVCDLSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1ccc(C#N)nn1	ZINC001094502038	818278559	/nfs/dbraw/zinc/27/85/59/818278559.db2.gz	FLKVUFKPVJAHIK-UHFFFAOYSA-N	-1	1	345.319	-0.210	20	30		EBEDMM
C=CCCn1cc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)nn1	ZINC001282204605	818375774	/nfs/dbraw/zinc/37/57/74/818375774.db2.gz	RRYRNBBWRSGLAE-NXEZZACHSA-N	-1	1	334.384	-0.026	20	30		EBEDMM
C=C(C)CN1CC(CCO)(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001282540097	818451144	/nfs/dbraw/zinc/45/11/44/818451144.db2.gz	VUZJWMUISHXYOK-UHFFFAOYSA-N	-1	1	338.364	-0.361	20	30		EBEDMM
C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283351836	818771513	/nfs/dbraw/zinc/77/15/13/818771513.db2.gz	BOGWGJGPHFEFNU-GFCCVEGCSA-N	-1	1	348.403	-0.144	20	30		EBEDMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1ncccc1C#N	ZINC001097949942	819061841	/nfs/dbraw/zinc/06/18/41/819061841.db2.gz	FVMAPQLDPPANRV-VIFPVBQESA-N	-1	1	338.331	-0.085	20	30		EBEDMM
O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001284052439	819080462	/nfs/dbraw/zinc/08/04/62/819080462.db2.gz	IZFCNSDZEZCDGO-XYPYZODXSA-N	-1	1	340.343	-0.792	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)NC(=O)C#CC(C)C	ZINC001284286911	819168711	/nfs/dbraw/zinc/16/87/11/819168711.db2.gz	QSUBYMGGJHDQFV-SECBINFHSA-N	-1	1	336.348	-0.210	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285355646	819552953	/nfs/dbraw/zinc/55/29/53/819552953.db2.gz	IGFICXXDBDWUFA-QWRGUYRKSA-N	-1	1	344.375	-0.156	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001099786199	819696718	/nfs/dbraw/zinc/69/67/18/819696718.db2.gz	MSSXZFCZVHYRSH-YPMHNXCESA-N	-1	1	334.376	-0.746	20	30		EBEDMM
C=CCNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001099786198	819696966	/nfs/dbraw/zinc/69/69/66/819696966.db2.gz	MSSXZFCZVHYRSH-WCQYABFASA-N	-1	1	334.376	-0.746	20	30		EBEDMM
CC#CCN1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001099899317	819866931	/nfs/dbraw/zinc/86/69/31/819866931.db2.gz	QYCDEXNNPSEPFX-NEPJUHHUSA-N	-1	1	337.380	-0.956	20	30		EBEDMM
CN(CCNc1ccncc1C#N)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001101686639	820878773	/nfs/dbraw/zinc/87/87/73/820878773.db2.gz	CKFPAGSNHLPEAQ-UHFFFAOYSA-N	-1	1	342.359	-0.814	20	30		EBEDMM
Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1[O-]	ZINC001101877682	820941345	/nfs/dbraw/zinc/94/13/45/820941345.db2.gz	GXHYDELJPFWTFJ-MWLCHTKSSA-N	-1	1	334.380	-0.639	20	30		EBEDMM
C=CCCC(=O)NC[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001295732296	821162249	/nfs/dbraw/zinc/16/22/49/821162249.db2.gz	OLHMHQXXZKHWHC-ZDUSSCGKSA-N	-1	1	348.403	-0.142	20	30		EBEDMM
C=CCOCC(=O)NCCN(CC)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001296277103	821231716	/nfs/dbraw/zinc/23/17/16/821231716.db2.gz	QIRUZYZLOUZZEM-UHFFFAOYSA-N	-1	1	348.363	-0.802	20	30		EBEDMM
CC[C@@H](CNC(=O)C#CC1CC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001297395508	821365683	/nfs/dbraw/zinc/36/56/83/821365683.db2.gz	OFZPZENLFDCCGB-ZDUSSCGKSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
CCN(C(=O)CSCC#N)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001318459020	822321673	/nfs/dbraw/zinc/32/16/73/822321673.db2.gz	OAKPKMBZFZUNHM-LLVKDONJSA-N	-1	1	338.437	-0.212	20	30		EBEDMM
C=CCCN1CCO[C@](C)(CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001108113306	824129625	/nfs/dbraw/zinc/12/96/25/824129625.db2.gz	JHHZLYPABWQUBD-MRXNPFEDSA-N	-1	1	336.392	-0.117	20	30		EBEDMM
C=CCN1CCO[C@@](C)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001108282502	824193930	/nfs/dbraw/zinc/19/39/30/824193930.db2.gz	UWUKIYJXIFWXCV-INIZCTEOSA-N	-1	1	336.392	-0.680	20	30		EBEDMM
C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001108461590	824295330	/nfs/dbraw/zinc/29/53/30/824295330.db2.gz	ZLQFDODJGFHIEF-QMMMGPOBSA-N	-1	1	339.319	-0.690	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110500956	824743493	/nfs/dbraw/zinc/74/34/93/824743493.db2.gz	SHBFWLAOSPKYRF-LSSIXWDNSA-N	-1	1	335.408	-0.343	20	30		EBEDMM
COCC#CCN1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1	ZINC001113532968	825910513	/nfs/dbraw/zinc/91/05/13/825910513.db2.gz	NDLBVTYLRPTLDK-UHFFFAOYSA-N	-1	1	336.348	-0.696	20	30		EBEDMM
C#CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)CCC1	ZINC001114397472	826233301	/nfs/dbraw/zinc/23/33/01/826233301.db2.gz	NKHWXYKPEATQJB-IMRBUKKESA-N	-1	1	329.404	-0.152	20	30		EBEDMM
N#CCNC1CC2(C1)CC(NC(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001121919034	827481166	/nfs/dbraw/zinc/48/11/66/827481166.db2.gz	OICKJMVBSFUBAO-UHFFFAOYSA-N	-1	1	331.376	-0.533	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@]1(C)CNCC#N	ZINC001182910518	833267864	/nfs/dbraw/zinc/26/78/64/833267864.db2.gz	JZNZSCVUNDDUIU-MLGOLLRUSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
CC(=O)N[C@H](C(=O)N([O-])C(=N)c1nonc1N)[C@@H](C)OC(C)(C)C	ZINC001183954268	833314220	/nfs/dbraw/zinc/31/42/20/833314220.db2.gz	JJWZJDHBJQYVFV-SVRRBLITSA-N	-1	1	342.356	-0.097	20	30		EBEDMM
O=C(NCCNCC#Cc1ccc(F)cc1)c1n[nH]c(=O)[n-]c1=O	ZINC001130863913	828981745	/nfs/dbraw/zinc/98/17/45/828981745.db2.gz	YRJQYYOJBNMGEP-UHFFFAOYSA-N	-1	1	331.307	-0.207	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)nc1=O	ZINC001186917765	833437393	/nfs/dbraw/zinc/43/73/93/833437393.db2.gz	ZMHQXKLVHFTQNB-WDEREUQCSA-N	-1	1	336.421	-0.602	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143659496	830154389	/nfs/dbraw/zinc/15/43/89/830154389.db2.gz	XKFYXIUERXEIEB-JQWIXIFHSA-N	-1	1	346.347	-0.170	20	30		EBEDMM
CC#CCN1CCC(CCOC)(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001151187001	831041170	/nfs/dbraw/zinc/04/11/70/831041170.db2.gz	OTOSSTVLTDUMHE-UHFFFAOYSA-N	-1	1	349.391	-0.093	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001177000348	832731551	/nfs/dbraw/zinc/73/15/51/832731551.db2.gz	OSPLGXKJQGKNHX-KBPBESRZSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)CCC(=O)Nc1nncs1	ZINC001177444546	832783564	/nfs/dbraw/zinc/78/35/64/832783564.db2.gz	UHDMUBADDJHYLX-UHFFFAOYSA-N	-1	1	326.298	-0.535	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1	ZINC001212509428	837704326	/nfs/dbraw/zinc/70/43/26/837704326.db2.gz	AHSOESVGQOVCGQ-VXGBXAGGSA-N	-1	1	335.364	-0.946	20	30		EBEDMM
N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001187639204	833948566	/nfs/dbraw/zinc/94/85/66/833948566.db2.gz	LCHKUOIRYYLYQE-NWDGAFQWSA-N	-1	1	329.360	-0.427	20	30		EBEDMM
C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001187638934	833948663	/nfs/dbraw/zinc/94/86/63/833948663.db2.gz	FRXRUSAKZFJALT-QWHCGFSZSA-N	-1	1	328.372	-0.317	20	30		EBEDMM
Cn1c(=O)cc([N-]S(=O)(=O)CC#N)n(Cc2ccccc2)c1=O	ZINC001193001182	834779670	/nfs/dbraw/zinc/77/96/70/834779670.db2.gz	KKISLNCOBVZSRX-UHFFFAOYSA-N	-1	1	334.357	-0.139	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001202200887	836272889	/nfs/dbraw/zinc/27/28/89/836272889.db2.gz	SSJSVJKTXQBOML-VXGBXAGGSA-N	-1	1	339.396	-0.192	20	30		EBEDMM
C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202787955	836348048	/nfs/dbraw/zinc/34/80/48/836348048.db2.gz	YJWGIHMPGDISOF-MNOVXSKESA-N	-1	1	346.391	-0.833	20	30		EBEDMM
COCC#CCNC[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001320294245	838747806	/nfs/dbraw/zinc/74/78/06/838747806.db2.gz	BBIRAVHGYSKZBI-SNVBAGLBSA-N	-1	1	334.332	-0.742	20	30		EBEDMM
C#CCN(C(=O)COCC=C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001324377924	839640986	/nfs/dbraw/zinc/64/09/86/839640986.db2.gz	UBBJVULHMOLEAH-UHFFFAOYSA-N	-1	1	347.419	-0.263	20	30		EBEDMM
Cn1cc(S(=O)(=O)[N-]CC(=O)NCC#N)c(C(F)(F)F)n1	ZINC001324928250	839736608	/nfs/dbraw/zinc/73/66/08/839736608.db2.gz	PVWQZCRRBHTCLN-UHFFFAOYSA-N	-1	1	325.272	-0.643	20	30		EBEDMM
CC(C)C#CC(=O)N1CCN(C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001328115284	840591827	/nfs/dbraw/zinc/59/18/27/840591827.db2.gz	BCAYVOYSZDJUTK-UHFFFAOYSA-N	-1	1	346.435	-0.904	20	30		EBEDMM
C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@@H]1C	ZINC001328240242	840630227	/nfs/dbraw/zinc/63/02/27/840630227.db2.gz	PMQRFABCSZBZMZ-JQWIXIFHSA-N	-1	1	333.392	-0.244	20	30		EBEDMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccnc1-2	ZINC001332173009	841585492	/nfs/dbraw/zinc/58/54/92/841585492.db2.gz	CSYPTYVTCFIGLF-OAHLLOKOSA-N	-1	1	328.332	-0.843	20	30		EBEDMM
C=C[C@@H](C)[C@H](C)C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001349339448	843887968	/nfs/dbraw/zinc/88/79/68/843887968.db2.gz	MLAXSSCUVXQXHL-NEPJUHHUSA-N	-1	1	336.392	-0.383	20	30		EBEDMM
C#CCOCCC(=O)N(CC)CCNc1cnc(-c2nnn[n-]2)cn1	ZINC001573288231	946861998	/nfs/dbraw/zinc/86/19/98/946861998.db2.gz	STHGCIXEVIDDGI-UHFFFAOYSA-N	-1	1	344.379	-0.043	20	30		EBEDMM
C#CCOCCC(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1	ZINC001573288231	946862011	/nfs/dbraw/zinc/86/20/11/946862011.db2.gz	STHGCIXEVIDDGI-UHFFFAOYSA-N	-1	1	344.379	-0.043	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573289018	946883846	/nfs/dbraw/zinc/88/38/46/946883846.db2.gz	ZTZPADFVEZKQOK-LLVKDONJSA-N	-1	1	342.363	-0.291	20	30		EBEDMM
C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573289018	946883858	/nfs/dbraw/zinc/88/38/58/946883858.db2.gz	ZTZPADFVEZKQOK-LLVKDONJSA-N	-1	1	342.363	-0.291	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573564830	946999546	/nfs/dbraw/zinc/99/95/46/946999546.db2.gz	LTBXZHYSTIUVIK-BONVTDFDSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573571078	947100664	/nfs/dbraw/zinc/10/06/64/947100664.db2.gz	YYAOMZJGMOLCCR-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573571078	947100668	/nfs/dbraw/zinc/10/06/68/947100668.db2.gz	YYAOMZJGMOLCCR-NXEZZACHSA-N	-1	1	343.351	-0.544	20	30		EBEDMM
C[C@H](C#N)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573571717	947102767	/nfs/dbraw/zinc/10/27/67/947102767.db2.gz	AFWMGZVXNRLBHH-XNWIYYODSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573571961	947106821	/nfs/dbraw/zinc/10/68/21/947106821.db2.gz	BVFXKKXCJNWLPW-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573571961	947106827	/nfs/dbraw/zinc/10/68/27/947106827.db2.gz	BVFXKKXCJNWLPW-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1	ZINC001573584256	947215080	/nfs/dbraw/zinc/21/50/80/947215080.db2.gz	RYFGHQLZEBCFBS-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1	ZINC001573584256	947215089	/nfs/dbraw/zinc/21/50/89/947215089.db2.gz	RYFGHQLZEBCFBS-ZJUUUORDSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC001573584952	947241613	/nfs/dbraw/zinc/24/16/13/947241613.db2.gz	HUDZWPBSWJOMFA-OPRDCNLKSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
N#Cc1nc(N2CCO[C@H](C(=O)C3CC3)C2)cnc1-c1nnn[n-]1	ZINC001570926140	948683065	/nfs/dbraw/zinc/68/30/65/948683065.db2.gz	WYJJRYLKLOKCTR-JTQLQIEISA-N	-1	1	326.320	-0.287	20	30		EBEDMM
N#Cc1nc(N2CCO[C@H](C(=O)C3CC3)C2)cnc1-c1nn[n-]n1	ZINC001570926140	948683068	/nfs/dbraw/zinc/68/30/68/948683068.db2.gz	WYJJRYLKLOKCTR-JTQLQIEISA-N	-1	1	326.320	-0.287	20	30		EBEDMM
C[C@@H](CC#N)C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001570928082	948725286	/nfs/dbraw/zinc/72/52/86/948725286.db2.gz	LUQBGQDFLAGFNM-ZETCQYMHSA-N	-1	1	330.308	-0.938	20	30		EBEDMM
N#CC[C@]1(O)CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941722	949241632	/nfs/dbraw/zinc/24/16/32/949241632.db2.gz	ZHZWLVDFCLTUMC-AWEZNQCLSA-N	-1	1	341.335	-0.535	20	30		EBEDMM
N#CC[C@]1(O)CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941722	949241647	/nfs/dbraw/zinc/24/16/47/949241647.db2.gz	ZHZWLVDFCLTUMC-AWEZNQCLSA-N	-1	1	341.335	-0.535	20	30		EBEDMM
N#CC[C@@]1(O)CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941723	949244411	/nfs/dbraw/zinc/24/44/11/949244411.db2.gz	ZHZWLVDFCLTUMC-CQSZACIVSA-N	-1	1	341.335	-0.535	20	30		EBEDMM
N#CC[C@@]1(O)CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941723	949244432	/nfs/dbraw/zinc/24/44/32/949244432.db2.gz	ZHZWLVDFCLTUMC-CQSZACIVSA-N	-1	1	341.335	-0.535	20	30		EBEDMM
CC(C)(CC#N)CS(=O)(=O)NCCn1cnc(-c2nn[n-]n2)n1	ZINC001573893494	950886146	/nfs/dbraw/zinc/88/61/46/950886146.db2.gz	IGVAKLUBBUCAQQ-UHFFFAOYSA-N	-1	1	339.385	-0.683	20	30		EBEDMM
COC[C@]1(C(=O)[O-])CN(C[C@@H](O)CC2(C#N)CCOCC2)CCO1	ZINC001593986159	956783489	/nfs/dbraw/zinc/78/34/89/956783489.db2.gz	OUHRTZPSBGNALL-BBRMVZONSA-N	-1	1	342.392	-0.140	20	30		EBEDMM
C#CC1CCN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	ZINC001588382963	983376107	/nfs/dbraw/zinc/37/61/07/983376107.db2.gz	LNABVQTWBPZVTR-UHFFFAOYSA-N	-1	1	335.404	-0.134	20	30		EBEDMM
C[C@@H](C(=O)N(C)CCC#N)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001589339970	986244281	/nfs/dbraw/zinc/24/42/81/986244281.db2.gz	PSGSOVBIDGIYMZ-BBRMVZONSA-N	-1	1	338.408	-0.392	20	30		EBEDMM
COCC#CC[N@@H+](C)CCNC(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC001480937467	1125885002	/nfs/dbraw/zinc/88/50/02/1125885002.db2.gz	FRDFIGZQKKOCAJ-UHFFFAOYSA-N	-1	1	329.356	-0.118	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001481400021	1125982176	/nfs/dbraw/zinc/98/21/76/1125982176.db2.gz	ORLYVCKBPPEDDG-ZIAGYGMSSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
N#CCNCC[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001482460825	1126158325	/nfs/dbraw/zinc/15/83/25/1126158325.db2.gz	GPTYVPJQZYRCSD-ZDUSSCGKSA-N	-1	1	333.392	-0.189	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001484159405	1126510246	/nfs/dbraw/zinc/51/02/46/1126510246.db2.gz	TUOIEFRHAKOMHN-SUMWQHHRSA-N	-1	1	349.435	-0.135	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1	ZINC001671015338	1126883755	/nfs/dbraw/zinc/88/37/55/1126883755.db2.gz	OTWQQHSMDYQRJT-MCIONIFRSA-N	-1	1	347.419	-0.288	20	30		EBEDMM
C#CCNC(=O)CN1CC=C(CNC(=O)c2ncccc2[O-])CC1	ZINC001486507885	1127192080	/nfs/dbraw/zinc/19/20/80/1127192080.db2.gz	PINPFEIKDQWBPF-UHFFFAOYSA-N	-1	1	328.372	-0.102	20	30		EBEDMM
C=CCOCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001486666388	1127230601	/nfs/dbraw/zinc/23/06/01/1127230601.db2.gz	FSWDQULSMQKVPA-ZJUUUORDSA-N	-1	1	348.363	-0.757	20	30		EBEDMM
Cc1c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cnn1CCC#N	ZINC001412901906	1129768908	/nfs/dbraw/zinc/76/89/08/1129768908.db2.gz	PRWHKDJBXYKTPH-UHFFFAOYSA-N	-1	1	330.352	-0.258	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1	ZINC001491208515	1130358618	/nfs/dbraw/zinc/35/86/18/1130358618.db2.gz	RQIRQVJQOVGRMC-LRDDRELGSA-N	-1	1	337.424	-0.094	20	30		EBEDMM
C#CCCCC(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001356777369	1130934626	/nfs/dbraw/zinc/93/46/26/1130934626.db2.gz	XXPZVVWAZNSENH-UHFFFAOYSA-N	-1	1	332.360	-0.943	20	30		EBEDMM
C=C(C)CCC(=O)NC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001358526868	1131203822	/nfs/dbraw/zinc/20/38/22/1131203822.db2.gz	URNACXBDZDONQF-LBPRGKRZSA-N	-1	1	336.392	-0.096	20	30		EBEDMM
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363448758	1131954720	/nfs/dbraw/zinc/95/47/20/1131954720.db2.gz	HQWCGSCPTQMMKX-NWDGAFQWSA-N	-1	1	349.391	-0.876	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCC3(C2)OCCO3)o1	ZINC001364976324	1132509951	/nfs/dbraw/zinc/50/99/51/1132509951.db2.gz	WDZYEPJXEZCEIS-UHFFFAOYSA-N	-1	1	327.362	-0.122	20	30		EBEDMM
CCN1CC[C@H]1CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001365663898	1132752803	/nfs/dbraw/zinc/75/28/03/1132752803.db2.gz	VCUILWYTIMTZBG-NSHDSACASA-N	-1	1	332.364	-0.519	20	30		EBEDMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000594823245	377961526	/nfs/dbraw/zinc/96/15/26/377961526.db2.gz	STGXICKPQFJUSH-WDEREUQCSA-N	-1	1	336.435	-0.198	20	30		EBEDMM
CN1CCC(C#N)(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC000597166148	378087140	/nfs/dbraw/zinc/08/71/40/378087140.db2.gz	NYOBEXBXQSVULI-UHFFFAOYSA-N	-1	1	338.389	-0.243	20	30		EBEDMM
COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1	ZINC000336936064	378585968	/nfs/dbraw/zinc/58/59/68/378585968.db2.gz	FTGMBLXYLPCEEL-HTQZYQBOSA-N	-1	1	345.299	-0.461	20	30		EBEDMM
CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc([O-])cc(C#N)c1	ZINC000600730188	379226506	/nfs/dbraw/zinc/22/65/06/379226506.db2.gz	YWYFCALZGJGSQF-LBPRGKRZSA-N	-1	1	339.373	-0.346	20	30		EBEDMM
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(CC)c1C	ZINC000491702189	379615674	/nfs/dbraw/zinc/61/56/74/379615674.db2.gz	MGJMZQHGDIQSHZ-UHFFFAOYSA-N	-1	1	348.450	-0.035	20	30		EBEDMM
C#CCN1CCN(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1	ZINC000491774260	379628101	/nfs/dbraw/zinc/62/81/01/379628101.db2.gz	VZEHHJVHDUYQJU-UHFFFAOYSA-N	-1	1	332.408	-0.533	20	30		EBEDMM
C=CCOC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)C(=O)OC	ZINC000360722968	380265141	/nfs/dbraw/zinc/26/51/41/380265141.db2.gz	QROMCPUXYQSSBX-JTQLQIEISA-N	-1	1	346.361	-0.338	20	30		EBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)C(=O)OC	ZINC000360596803	380265903	/nfs/dbraw/zinc/26/59/03/380265903.db2.gz	JNWRFWGFIJOFEF-SRVKXCTJSA-N	-1	1	336.410	-0.326	20	30		EBEDMM
N#CCN1CCC[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000343648359	381008018	/nfs/dbraw/zinc/00/80/18/381008018.db2.gz	VZWRQWIBTXLXIG-GFCCVEGCSA-N	-1	1	331.376	-0.131	20	30		EBEDMM
C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1	ZINC000345268953	381039267	/nfs/dbraw/zinc/03/92/67/381039267.db2.gz	UCOICTJRZZNPSG-UHFFFAOYSA-N	-1	1	327.362	-0.165	20	30		EBEDMM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nn[n-]n1	ZINC000610806884	381212709	/nfs/dbraw/zinc/21/27/09/381212709.db2.gz	IOFDQTADPIAWIN-QMMMGPOBSA-N	-1	1	335.349	-0.945	20	30		EBEDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCN(CC#N)CC1	ZINC000611017403	381252094	/nfs/dbraw/zinc/25/20/94/381252094.db2.gz	OWGNIOXCKROUBD-UHFFFAOYSA-N	-1	1	341.393	-0.147	20	30		EBEDMM
Cn1c(=O)c(C#N)c(N2CCC(c3n[n-]c(=O)o3)CC2)n(C)c1=O	ZINC000285649837	279302022	/nfs/dbraw/zinc/30/20/22/279302022.db2.gz	OFABKHQCDYCXHE-UHFFFAOYSA-N	-1	1	332.320	-0.984	20	30		EBEDMM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735431893	582894891	/nfs/dbraw/zinc/89/48/91/582894891.db2.gz	KKHLJJIHVLBAPL-MRVPVSSYSA-N	-1	1	345.319	-0.181	20	30		EBEDMM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735431893	582894893	/nfs/dbraw/zinc/89/48/93/582894893.db2.gz	KKHLJJIHVLBAPL-MRVPVSSYSA-N	-1	1	345.319	-0.181	20	30		EBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)o1	ZINC000804976292	583130565	/nfs/dbraw/zinc/13/05/65/583130565.db2.gz	SYZUBPGHYFUIFT-UHFFFAOYSA-N	-1	1	349.390	-0.908	20	30		EBEDMM
C#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000758627841	583205837	/nfs/dbraw/zinc/20/58/37/583205837.db2.gz	ZOVDWRZGXDVNMI-UHFFFAOYSA-N	-1	1	327.362	-0.424	20	30		EBEDMM
N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1[O-]	ZINC000785409633	583497386	/nfs/dbraw/zinc/49/73/86/583497386.db2.gz	GEHGRIDFGCOXHQ-UHFFFAOYSA-N	-1	1	339.373	-0.344	20	30		EBEDMM
N#Cc1cc([O-])cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1	ZINC000809642118	583679934	/nfs/dbraw/zinc/67/99/34/583679934.db2.gz	BHEIMXXEPJBFQQ-UHFFFAOYSA-N	-1	1	339.373	-0.344	20	30		EBEDMM
CC(C)CC(=O)NCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000820051941	583765355	/nfs/dbraw/zinc/76/53/55/583765355.db2.gz	YMWCJBBBMLDOMO-UHFFFAOYSA-N	-1	1	331.340	-0.048	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000823849804	583837559	/nfs/dbraw/zinc/83/75/59/583837559.db2.gz	AFRYQMSCHOPAPQ-LBPRGKRZSA-N	-1	1	340.391	-0.478	20	30		EBEDMM
C=CCNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823919351	583838539	/nfs/dbraw/zinc/83/85/39/583838539.db2.gz	CVHAFKGICIUWSC-UHFFFAOYSA-N	-1	1	340.340	-0.414	20	30		EBEDMM
C=CCNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823919351	583838541	/nfs/dbraw/zinc/83/85/41/583838541.db2.gz	CVHAFKGICIUWSC-UHFFFAOYSA-N	-1	1	340.340	-0.414	20	30		EBEDMM
C[C@H](C#N)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000824034493	583840389	/nfs/dbraw/zinc/84/03/89/583840389.db2.gz	KUPWAOQABVHGLH-MRVPVSSYSA-N	-1	1	332.372	-0.094	20	30		EBEDMM
C[C@H](C#N)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000824034493	583840391	/nfs/dbraw/zinc/84/03/91/583840391.db2.gz	KUPWAOQABVHGLH-MRVPVSSYSA-N	-1	1	332.372	-0.094	20	30		EBEDMM
C#C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1	ZINC000848284963	584155022	/nfs/dbraw/zinc/15/50/22/584155022.db2.gz	PPUBMZGJTPMGNH-JTQLQIEISA-N	-1	1	339.373	-0.471	20	30		EBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000853324971	584226428	/nfs/dbraw/zinc/22/64/28/584226428.db2.gz	AHZXDDMHHFREEC-SECBINFHSA-N	-1	1	339.352	-0.400	20	30		EBEDMM
C#CCO[N-]C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C	ZINC000855606944	584261460	/nfs/dbraw/zinc/26/14/60/584261460.db2.gz	SJKJDMXTAJAYRC-UHFFFAOYSA-N	-1	1	326.320	-0.455	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1	ZINC000938310407	652189242	/nfs/dbraw/zinc/18/92/42/652189242.db2.gz	AHJKKNWOOALLIV-YUMQZZPRSA-N	-1	1	335.320	-0.613	20	30		EBEDMM
C=CCCN1CC(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C1	ZINC000941513955	652780938	/nfs/dbraw/zinc/78/09/38/652780938.db2.gz	ZKRAFJUYDLARRP-UHFFFAOYSA-N	-1	1	347.419	-0.496	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000948098720	653522740	/nfs/dbraw/zinc/52/27/40/653522740.db2.gz	KBVAAOZFUDUNNI-SECBINFHSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCOC2(CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1	ZINC000949051683	653591547	/nfs/dbraw/zinc/59/15/47/653591547.db2.gz	NDMSGSHCABNRCJ-LBPRGKRZSA-N	-1	1	348.407	-0.539	20	30		EBEDMM
C#CCOc1ncccc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970512030	725296866	/nfs/dbraw/zinc/29/68/66/725296866.db2.gz	SVEQTNMVZQDHRJ-LLVKDONJSA-N	-1	1	342.359	-0.078	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000971371186	725360851	/nfs/dbraw/zinc/36/08/51/725360851.db2.gz	DEZPHCWUPWROLS-GFCCVEGCSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1nc(=O)n(C)[n-]1)CCO2	ZINC000972298832	725493670	/nfs/dbraw/zinc/49/36/70/725493670.db2.gz	VTGVPATYFAZAHT-IAQYHMDHSA-N	-1	1	334.380	-0.929	20	30		EBEDMM
N#Cc1nccc(N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)n1	ZINC001051681611	735319795	/nfs/dbraw/zinc/31/97/95/735319795.db2.gz	GHVJKZGZILFKJP-ZYHUDNBSSA-N	-1	1	340.343	-0.182	20	30		EBEDMM
N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC000992861337	725841135	/nfs/dbraw/zinc/84/11/35/725841135.db2.gz	QTHQEXOMEWOZMP-MGPQQGTHSA-N	-1	1	345.403	-0.333	20	30		EBEDMM
CC#CCN1CCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001003806025	726691336	/nfs/dbraw/zinc/69/13/36/726691336.db2.gz	IXNCULWYQTXHPW-UHFFFAOYSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
N#CCN1CCC2(C[C@@H]2NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001016927712	728526996	/nfs/dbraw/zinc/52/69/96/728526996.db2.gz	YYVPNTLELDTODT-NSHDSACASA-N	-1	1	327.348	-0.475	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001021717296	729334715	/nfs/dbraw/zinc/33/47/15/729334715.db2.gz	ORTLPCUFWNUCKX-DGCLKSJQSA-N	-1	1	341.375	-0.132	20	30		EBEDMM
C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CCCN(CC#N)C1	ZINC001025591645	730058433	/nfs/dbraw/zinc/05/84/33/730058433.db2.gz	FVWWJVKSXLTURM-MNOVXSKESA-N	-1	1	329.364	-0.229	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@@H]2C1	ZINC001026397878	730143081	/nfs/dbraw/zinc/14/30/81/730143081.db2.gz	QQKJPWDGVCRYDH-AEJSXWLSSA-N	-1	1	333.348	-0.140	20	30		EBEDMM
C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)cn1	ZINC001032737862	730921584	/nfs/dbraw/zinc/92/15/84/730921584.db2.gz	KDAMTRJALWDWML-KBPBESRZSA-N	-1	1	338.371	-0.416	20	30		EBEDMM
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032990540	730955128	/nfs/dbraw/zinc/95/51/28/730955128.db2.gz	FVLIJYOFTRKQHZ-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001038941335	731396195	/nfs/dbraw/zinc/39/61/95/731396195.db2.gz	JOUUDIIFDDWKNF-CYBMUJFWSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001039459022	731436357	/nfs/dbraw/zinc/43/63/57/731436357.db2.gz	ZSHGLSDQYPXWKR-MNOVXSKESA-N	-1	1	327.348	-0.380	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001039579064	731449473	/nfs/dbraw/zinc/44/94/73/731449473.db2.gz	CRYYQPLTXCSJPP-DLBZAZTESA-N	-1	1	349.387	-0.193	20	30		EBEDMM
N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001040995830	731955473	/nfs/dbraw/zinc/95/54/73/731955473.db2.gz	OGFGCZJUONVREK-ZYHUDNBSSA-N	-1	1	326.316	-0.572	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@]2(CCN(CC#N)C2)C1	ZINC001041784948	732225941	/nfs/dbraw/zinc/22/59/41/732225941.db2.gz	AWOUBWRVQUMWFM-HNNXBMFYSA-N	-1	1	333.348	-0.042	20	30		EBEDMM
N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3ncccc3[O-])C2)c1	ZINC001042392851	732425437	/nfs/dbraw/zinc/42/54/37/732425437.db2.gz	XIUMCZCMMLVMAC-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3ncccc3[O-])C2)c[nH]1	ZINC001042669840	732523309	/nfs/dbraw/zinc/52/33/09/732523309.db2.gz	XWNKPSAHCQDGMO-UHFFFAOYSA-N	-1	1	341.327	-0.396	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001045554869	733722679	/nfs/dbraw/zinc/72/26/79/733722679.db2.gz	LEYWIHPDMHIRSC-VIFPVBQESA-N	-1	1	345.359	-0.478	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001046782521	734026854	/nfs/dbraw/zinc/02/68/54/734026854.db2.gz	ASHWGYNHLVOBQY-KRWDZBQOSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048554878	734442658	/nfs/dbraw/zinc/44/26/58/734442658.db2.gz	JUJXRVHHTGIYNF-AAEUAGOBSA-N	-1	1	335.360	-0.367	20	30		EBEDMM
N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001049788560	734790132	/nfs/dbraw/zinc/79/01/32/734790132.db2.gz	OEPJZKZHXUMAMP-OLZOCXBDSA-N	-1	1	331.376	-0.484	20	30		EBEDMM
N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001049845396	734797874	/nfs/dbraw/zinc/79/78/74/734797874.db2.gz	ABQQOMOVQMBDDV-NWDGAFQWSA-N	-1	1	327.348	-0.380	20	30		EBEDMM
C=C(C)CN1CC2(C1)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CCO2	ZINC001053507933	735909376	/nfs/dbraw/zinc/90/93/76/735909376.db2.gz	VDIDAQMOHHLKKV-UHFFFAOYSA-N	-1	1	344.375	-0.480	20	30		EBEDMM
C=CCCN1CC2(C1)C[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981874	736132556	/nfs/dbraw/zinc/13/25/56/736132556.db2.gz	WUTBGFBJZSMMJY-NSHDSACASA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C#CCOCCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057413164	737233163	/nfs/dbraw/zinc/23/31/63/737233163.db2.gz	KEORAFGVMSZRKS-UHFFFAOYSA-N	-1	1	335.360	-0.622	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1	ZINC001062829254	738997012	/nfs/dbraw/zinc/99/70/12/738997012.db2.gz	GERMWCQUIPKWTI-UHFFFAOYSA-N	-1	1	344.371	-0.305	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CCC1	ZINC001064306724	739273656	/nfs/dbraw/zinc/27/36/56/739273656.db2.gz	OOKTWJZEJYONPH-SECBINFHSA-N	-1	1	343.347	-0.654	20	30		EBEDMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O	ZINC001065587108	739779662	/nfs/dbraw/zinc/77/96/62/739779662.db2.gz	UTDRVDWBEUNILR-AAEUAGOBSA-N	-1	1	340.343	-0.229	20	30		EBEDMM
N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)n1	ZINC001067666205	740179617	/nfs/dbraw/zinc/17/96/17/740179617.db2.gz	YYXIPMSZDMLRCL-CMPLNLGQSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
Cn1[n-]c(CN2CCO[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)nc1=O	ZINC001074237659	741867976	/nfs/dbraw/zinc/86/79/76/741867976.db2.gz	CPODQZABVUENTG-KBPBESRZSA-N	-1	1	345.403	-0.677	20	30		EBEDMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nc1=O	ZINC001075658637	742267909	/nfs/dbraw/zinc/26/79/09/742267909.db2.gz	LUEYTZBYXBAHIB-WCQYABFASA-N	-1	1	341.375	-0.345	20	30		EBEDMM
C#CCCCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001076298078	742433412	/nfs/dbraw/zinc/43/34/12/742433412.db2.gz	XEPXMCDEMVRBEE-NSHDSACASA-N	-1	1	344.375	-0.154	20	30		EBEDMM
C[C@@H](CCNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)C#CC1CC1	ZINC001077488163	743013741	/nfs/dbraw/zinc/01/37/41/743013741.db2.gz	DJDFKMBMMGJEMD-JTQLQIEISA-N	-1	1	342.359	-0.544	20	30		EBEDMM
N#Cc1ccc(C(=O)N2CCCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001078382597	743616166	/nfs/dbraw/zinc/61/61/66/743616166.db2.gz	CEUUSQVEADLCGR-LLVKDONJSA-N	-1	1	345.363	-0.269	20	30		EBEDMM
C#CCCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(C)(C)C1	ZINC000977362491	804295591	/nfs/dbraw/zinc/29/55/91/804295591.db2.gz	KSHDZQUBMRVZKU-CYBMUJFWSA-N	-1	1	342.403	-0.079	20	30		EBEDMM
C=CCn1cc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1	ZINC000989535741	808497763	/nfs/dbraw/zinc/49/77/63/808497763.db2.gz	FJJAJJJXBRPANB-ZJUUUORDSA-N	-1	1	332.368	-0.319	20	30		EBEDMM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001014456242	810434159	/nfs/dbraw/zinc/43/41/59/810434159.db2.gz	BTMOAHWIAYPERQ-XQQFMLRXSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001219503891	810725394	/nfs/dbraw/zinc/72/53/94/810725394.db2.gz	JPRSZWDCIBGROU-LOWVWBTDSA-N	-1	1	334.376	-0.747	20	30		EBEDMM
Cn1[n-]c(CN2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)nc1=O	ZINC001035702739	810995677	/nfs/dbraw/zinc/99/56/77/810995677.db2.gz	ZNRYLZQADQYZDE-UHFFFAOYSA-N	-1	1	329.404	-0.054	20	30		EBEDMM
C=CCOCCN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1	ZINC001220752528	811227480	/nfs/dbraw/zinc/22/74/80/811227480.db2.gz	CRORSVBHMMNAOT-NEPJUHHUSA-N	-1	1	348.359	-0.094	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001222069579	811589987	/nfs/dbraw/zinc/58/99/87/811589987.db2.gz	RVWHXAGORQPBST-JHJVBQTASA-N	-1	1	335.408	-0.268	20	30		EBEDMM
COCC#CCN1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC001224003743	811740606	/nfs/dbraw/zinc/74/06/06/811740606.db2.gz	YTJKYTCJIOCWRC-UHFFFAOYSA-N	-1	1	348.403	-0.423	20	30		EBEDMM
CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001080413404	812019773	/nfs/dbraw/zinc/01/97/73/812019773.db2.gz	XTRFPTVPHQNMFB-SECBINFHSA-N	-1	1	343.347	-0.750	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081346509	812775643	/nfs/dbraw/zinc/77/56/43/812775643.db2.gz	IYJWTVSXFJRGFI-YPMHNXCESA-N	-1	1	335.360	-0.461	20	30		EBEDMM
COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(N)=O	ZINC001261063843	812851100	/nfs/dbraw/zinc/85/11/00/812851100.db2.gz	LTDLUOKCZPXHDX-BYPYZUCNSA-N	-1	1	337.766	-0.156	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081463131	812995268	/nfs/dbraw/zinc/99/52/68/812995268.db2.gz	JUGDJOYVRMUKGR-GXTWGEPZSA-N	-1	1	331.372	-0.004	20	30		EBEDMM
C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001266485934	813581525	/nfs/dbraw/zinc/58/15/25/813581525.db2.gz	KFSFWVVDAIAREM-GFCCVEGCSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083525898	814523652	/nfs/dbraw/zinc/52/36/52/814523652.db2.gz	RCQGZJMLQJJUOJ-YPMHNXCESA-N	-1	1	346.391	-0.929	20	30		EBEDMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cc(C#N)c[nH]1	ZINC001085534824	816066712	/nfs/dbraw/zinc/06/67/12/816066712.db2.gz	UJYIGCDMCMZEDN-LLVKDONJSA-N	-1	1	329.364	-0.345	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]2C1	ZINC001088142018	816634416	/nfs/dbraw/zinc/63/44/16/816634416.db2.gz	OJSVZQIKQXAATG-OLZOCXBDSA-N	-1	1	331.376	-0.769	20	30		EBEDMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)CSCC#N	ZINC001275088578	817149462	/nfs/dbraw/zinc/14/94/62/817149462.db2.gz	WPBMTNCDVOGXSS-LLVKDONJSA-N	-1	1	338.437	-0.212	20	30		EBEDMM
C=C[C@@H](CC)CC(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001276075418	817352831	/nfs/dbraw/zinc/35/28/31/817352831.db2.gz	HLZQPHIDUYAUNJ-LBPRGKRZSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
CC#CCN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC001094626174	818304352	/nfs/dbraw/zinc/30/43/52/818304352.db2.gz	WAVFWZBMPKPPIB-QWHCGFSZSA-N	-1	1	349.412	-0.266	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001283427802	818807720	/nfs/dbraw/zinc/80/77/20/818807720.db2.gz	JTMVNJIZKMRGDO-NSHDSACASA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C#CCOCCC(=O)N[C@]12CCC[C@H]1N(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001284051857	819080349	/nfs/dbraw/zinc/08/03/49/819080349.db2.gz	RPKJBOCXLUVVEQ-DYVFJYSZSA-N	-1	1	347.419	-0.239	20	30		EBEDMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)nc1=O	ZINC001099830626	819756917	/nfs/dbraw/zinc/75/69/17/819756917.db2.gz	VODGTQQILDXJBY-RYUDHWBXSA-N	-1	1	335.408	-0.791	20	30		EBEDMM
C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099848361	819776927	/nfs/dbraw/zinc/77/69/27/819776927.db2.gz	UWZCCRZNVXGPMI-KGLIPLIRSA-N	-1	1	349.435	-0.072	20	30		EBEDMM
C#CCCCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099960032	819965495	/nfs/dbraw/zinc/96/54/95/819965495.db2.gz	NDZCLVTXCBSPPF-KGLIPLIRSA-N	-1	1	349.435	-0.257	20	30		EBEDMM
C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001286396157	819987039	/nfs/dbraw/zinc/98/70/39/819987039.db2.gz	ZBVDUUYCXROOCI-JOCQHMNTSA-N	-1	1	348.403	-0.096	20	30		EBEDMM
C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001100020780	820048381	/nfs/dbraw/zinc/04/83/81/820048381.db2.gz	SGRUQSFXARGLLI-NWDGAFQWSA-N	-1	1	337.424	-0.238	20	30		EBEDMM
C=CCCC(=O)N1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC001287914071	820194105	/nfs/dbraw/zinc/19/41/05/820194105.db2.gz	YYGFYVBHAAUUCY-CHWSQXEVSA-N	-1	1	348.403	-0.002	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001289623499	820406596	/nfs/dbraw/zinc/40/65/96/820406596.db2.gz	IHUTXLVXPBXUPC-WZRBSPASSA-N	-1	1	333.344	-0.873	20	30		EBEDMM
CC[C@H](CNC(=O)C#CC1CC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001297395507	821365825	/nfs/dbraw/zinc/36/58/25/821365825.db2.gz	OFZPZENLFDCCGB-CYBMUJFWSA-N	-1	1	346.387	-0.649	20	30		EBEDMM
CC(C)C#CC(=O)NC/C=C\CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001298386018	821524510	/nfs/dbraw/zinc/52/45/10/821524510.db2.gz	MAVRAAYXJRSZBN-ARJAWSKDSA-N	-1	1	342.359	-0.521	20	30		EBEDMM
C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1CCNCC#N	ZINC001104799047	821547786	/nfs/dbraw/zinc/54/77/86/821547786.db2.gz	BHJKLCREDINLJZ-CHWSQXEVSA-N	-1	1	333.392	-0.476	20	30		EBEDMM
CC(C)C#CC(=O)NCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001299153942	821653800	/nfs/dbraw/zinc/65/38/00/821653800.db2.gz	STEWANOZJZABKV-UHFFFAOYSA-N	-1	1	342.359	-0.544	20	30		EBEDMM
C#CCCCC(=O)NC[C@@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107901686	824029295	/nfs/dbraw/zinc/02/92/95/824029295.db2.gz	VXKJCODGWOXPDR-INIZCTEOSA-N	-1	1	335.408	-0.381	20	30		EBEDMM
C=CCN1CCO[C@](C)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001108282503	824194165	/nfs/dbraw/zinc/19/41/65/824194165.db2.gz	UWUKIYJXIFWXCV-MRXNPFEDSA-N	-1	1	336.392	-0.680	20	30		EBEDMM
N#Cc1ccc(NCCN(CCO)C(=O)c2ncccc2[O-])nn1	ZINC001111465700	825143452	/nfs/dbraw/zinc/14/34/52/825143452.db2.gz	KQBGFKFVGHEAHO-UHFFFAOYSA-N	-1	1	328.332	-0.005	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001111728699	825303829	/nfs/dbraw/zinc/30/38/29/825303829.db2.gz	LGJJNYDBCVQYQW-VUCTXSBTSA-N	-1	1	349.435	-0.094	20	30		EBEDMM
N#CCNC1(CNC(=O)c2cc(=O)n3[n-]cnc3n2)CCCCC1	ZINC001119998770	827167738	/nfs/dbraw/zinc/16/77/38/827167738.db2.gz	JUMBZKDIBDOBCI-UHFFFAOYSA-N	-1	1	329.364	-0.037	20	30		EBEDMM
COc1ccc(C#N)cc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130862852	828979559	/nfs/dbraw/zinc/97/95/59/828979559.db2.gz	IOFXBOAWKURGAK-UHFFFAOYSA-N	-1	1	344.331	-0.317	20	30		EBEDMM
C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131826292	829234008	/nfs/dbraw/zinc/23/40/08/829234008.db2.gz	OQUKJJKDZPUOLW-WDEREUQCSA-N	-1	1	338.437	-0.166	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001132042850	829310922	/nfs/dbraw/zinc/31/09/22/829310922.db2.gz	ZHTOMIIYTAGUJJ-STQMWFEESA-N	-1	1	335.408	-0.383	20	30		EBEDMM
Cn1[n-]c(CN2CCC3(CN(C(=O)CSCC#N)C3)C2)nc1=O	ZINC001147031320	830272552	/nfs/dbraw/zinc/27/25/52/830272552.db2.gz	NWVPKZGWRBCPMG-UHFFFAOYSA-N	-1	1	336.421	-0.601	20	30		EBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)OC	ZINC001211664186	837452747	/nfs/dbraw/zinc/45/27/47/837452747.db2.gz	GIAFFMCSHITWCB-SECBINFHSA-N	-1	1	347.349	-0.781	20	30		EBEDMM
C#CCN1CCC(CCOC)(NC(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC001151254360	831045425	/nfs/dbraw/zinc/04/54/25/831045425.db2.gz	HDMKNCFETAQKDL-UHFFFAOYSA-N	-1	1	348.403	-0.280	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001157945938	831611217	/nfs/dbraw/zinc/61/12/17/831611217.db2.gz	SUQFOTKJHMLHDT-UONOGXRCSA-N	-1	1	349.435	-0.040	20	30		EBEDMM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])c1ncc2c(n1)CNC2	ZINC001163068819	832081030	/nfs/dbraw/zinc/08/10/30/832081030.db2.gz	SQCRCGSBNXMNLS-SNVBAGLBSA-N	-1	1	349.353	-0.400	20	30		EBEDMM
C#CCNC(=O)CC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001164182493	832174832	/nfs/dbraw/zinc/17/48/32/832174832.db2.gz	KSORHUPOQHCIDI-UHFFFAOYSA-N	-1	1	334.380	-0.974	20	30		EBEDMM
C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001350674928	832184431	/nfs/dbraw/zinc/18/44/31/832184431.db2.gz	XQHXHDODVDSUGP-LBPRGKRZSA-N	-1	1	344.371	-0.400	20	30		EBEDMM
CC(C)C#CC(=O)N1CC[C@H]2OCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1	ZINC001177000350	832731155	/nfs/dbraw/zinc/73/11/55/832731155.db2.gz	OSPLGXKJQGKNHX-UONOGXRCSA-N	-1	1	347.419	-0.431	20	30		EBEDMM
N=C(c1nonc1N)N([O-])C(=O)[C@H]1CC(=O)N(c2nccs2)C1	ZINC001177324837	832774404	/nfs/dbraw/zinc/77/44/04/832774404.db2.gz	FMPQDQUEOFDMOA-YFKPBYRVSA-N	-1	1	337.321	-0.295	20	30		EBEDMM
C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001189672797	834177771	/nfs/dbraw/zinc/17/77/71/834177771.db2.gz	FUVAGCFHGRPRBT-RYUDHWBXSA-N	-1	1	333.392	-0.292	20	30		EBEDMM
N#Cc1c(N)nc(=NC2CC2)n(C(=O)c2c[nH]c(=S)[n-]c2=O)c1N	ZINC001196008408	835325001	/nfs/dbraw/zinc/32/50/01/835325001.db2.gz	BFRAJHJKIPNRES-UHFFFAOYSA-N	-1	1	344.360	-0.545	20	30		EBEDMM
COCC#CCN1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001197454773	835558167	/nfs/dbraw/zinc/55/81/67/835558167.db2.gz	WEHNGGFCWPZKPS-UHFFFAOYSA-N	-1	1	348.403	-0.889	20	30		EBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001319541458	838145739	/nfs/dbraw/zinc/14/57/39/838145739.db2.gz	UGIHDERIZNXIBB-ZYHUDNBSSA-N	-1	1	338.412	-0.082	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCOC1	ZINC001345426746	843394162	/nfs/dbraw/zinc/39/41/62/843394162.db2.gz	IRILDFHIGYXGQU-LBPRGKRZSA-N	-1	1	326.364	-0.042	20	30		EBEDMM
C#CCN(CC#CC)c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCOC1	ZINC001345426746	843394172	/nfs/dbraw/zinc/39/41/72/843394172.db2.gz	IRILDFHIGYXGQU-LBPRGKRZSA-N	-1	1	326.364	-0.042	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573288022	946854703	/nfs/dbraw/zinc/85/47/03/946854703.db2.gz	RLVJJTMVSWCTQI-NSHDSACASA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573288022	946854715	/nfs/dbraw/zinc/85/47/15/946854715.db2.gz	RLVJJTMVSWCTQI-NSHDSACASA-N	-1	1	342.363	-0.609	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573562606	946976675	/nfs/dbraw/zinc/97/66/75/946976675.db2.gz	VCHCYNJZAZTGOQ-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573562606	946976679	/nfs/dbraw/zinc/97/66/79/946976679.db2.gz	VCHCYNJZAZTGOQ-NXEZZACHSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573564045	946987783	/nfs/dbraw/zinc/98/77/83/946987783.db2.gz	DTGGCRFCWWSPQJ-SECBINFHSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566344	947025579	/nfs/dbraw/zinc/02/55/79/947025579.db2.gz	BJYNQRKLQSLYJL-WDEREUQCSA-N	-1	1	341.379	-0.111	20	30		EBEDMM
C[C@H](C#N)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573566683	947029101	/nfs/dbraw/zinc/02/91/01/947029101.db2.gz	FJBHJZAQBGQPRE-ZJUUUORDSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1	ZINC001573573441	947122498	/nfs/dbraw/zinc/12/24/98/947122498.db2.gz	NGZWCSSCHCXODR-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1	ZINC001573573441	947122503	/nfs/dbraw/zinc/12/25/03/947122503.db2.gz	NGZWCSSCHCXODR-NXEZZACHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573583464	947206275	/nfs/dbraw/zinc/20/62/75/947206275.db2.gz	MGUKXQMJIRBGFJ-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573583464	947206281	/nfs/dbraw/zinc/20/62/81/947206281.db2.gz	MGUKXQMJIRBGFJ-UWVGGRQHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1	ZINC001573583721	947208465	/nfs/dbraw/zinc/20/84/65/947208465.db2.gz	OEAHYYKDIOVACC-NXEZZACHSA-N	-1	1	343.351	-0.862	20	30		EBEDMM
C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1	ZINC001573584105	947210517	/nfs/dbraw/zinc/21/05/17/947210517.db2.gz	QKOCRJDPNYDRTM-ZJUUUORDSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1	ZINC001573584616	947230981	/nfs/dbraw/zinc/23/09/81/947230981.db2.gz	ZKPRPKBCEAPLQK-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1	ZINC001573584616	947230991	/nfs/dbraw/zinc/23/09/91/947230991.db2.gz	ZKPRPKBCEAPLQK-VIFPVBQESA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001573585373	947255135	/nfs/dbraw/zinc/25/51/35/947255135.db2.gz	FARZPXVSPCRIQB-SECBINFHSA-N	-1	1	336.381	-0.312	20	30		EBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1	ZINC001573585373	947255145	/nfs/dbraw/zinc/25/51/45/947255145.db2.gz	FARZPXVSPCRIQB-SECBINFHSA-N	-1	1	336.381	-0.312	20	30		EBEDMM
C=CCCCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573333721	947439907	/nfs/dbraw/zinc/43/99/07/947439907.db2.gz	DLCFAJLWAWDGRU-SNVBAGLBSA-N	-1	1	332.368	-0.676	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573351715	947619377	/nfs/dbraw/zinc/61/93/77/947619377.db2.gz	PGTMQWRBMHAVRU-PWSUYJOCSA-N	-1	1	344.379	-0.200	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573351715	947619390	/nfs/dbraw/zinc/61/93/90/947619390.db2.gz	PGTMQWRBMHAVRU-PWSUYJOCSA-N	-1	1	344.379	-0.200	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1	ZINC001570926083	948681791	/nfs/dbraw/zinc/68/17/91/948681791.db2.gz	VCMLAGZVYHJNIZ-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1	ZINC001570926083	948681796	/nfs/dbraw/zinc/68/17/96/948681796.db2.gz	VCMLAGZVYHJNIZ-GUBZILKMSA-N	-1	1	325.336	-0.394	20	30		EBEDMM
CCCCS(=O)(=O)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC001570935269	948972639	/nfs/dbraw/zinc/97/26/39/948972639.db2.gz	MXLKWVSLEDAQFE-UHFFFAOYSA-N	-1	1	338.353	-0.385	20	30		EBEDMM
CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccn[nH]1	ZINC001596629735	984612647	/nfs/dbraw/zinc/61/26/47/984612647.db2.gz	UMGRZGFIPHMNGA-KYZUINATSA-N	-1	1	338.320	-0.327	20	30		EBEDMM
C[C@H](C(=O)N(C)CCC#N)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001589339971	986244593	/nfs/dbraw/zinc/24/45/93/986244593.db2.gz	PSGSOVBIDGIYMZ-CJNGLKHVSA-N	-1	1	338.408	-0.392	20	30		EBEDMM
CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H](C(=O)[O-])C1	ZINC001598603748	993607961	/nfs/dbraw/zinc/60/79/61/993607961.db2.gz	LBYBKVFNNGTTQY-LBPRGKRZSA-N	-1	1	330.344	-0.028	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1	ZINC001092196692	1128214067	/nfs/dbraw/zinc/21/40/67/1128214067.db2.gz	PKFCMQHQKJXRRG-PSLIRLAXSA-N	-1	1	333.348	-0.186	20	30		EBEDMM
C=CC(C)(C)CC(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001491329169	1130403007	/nfs/dbraw/zinc/40/30/07/1130403007.db2.gz	NAWPBOSEXLQKBI-UHFFFAOYSA-N	-1	1	332.364	-0.134	20	30		EBEDMM
CC(C)C#CC(=O)NC[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001357021711	1131026225	/nfs/dbraw/zinc/02/62/25/1131026225.db2.gz	YOFHYVFRYPGZLF-LLVKDONJSA-N	-1	1	344.375	-0.441	20	30		EBEDMM
N#Cc1cn(C2CN(C(=O)CCN3CC[C@H](F)C3)C2)c(=O)[n-]c1=O	ZINC001365146168	1132559837	/nfs/dbraw/zinc/55/98/37/1132559837.db2.gz	DRLPAHAZAMNWQD-NSHDSACASA-N	-1	1	335.339	-0.362	20	30		EBEDMM
COC(=O)c1ccc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)o1	ZINC000285624952	375914511	/nfs/dbraw/zinc/91/45/11/375914511.db2.gz	NNOUTYMNRBNWNO-UHFFFAOYSA-N	-1	1	325.306	-0.492	20	30		EBEDMM
C=CCOC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600665887	376479017	/nfs/dbraw/zinc/47/90/17/376479017.db2.gz	ZNQHHZRYTVUHFL-ZETCQYMHSA-N	-1	1	334.310	-0.738	20	30		EBEDMM
COC(=O)c1oc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)cc1C	ZINC000595337737	377993287	/nfs/dbraw/zinc/99/32/87/377993287.db2.gz	KETUBFDARFFRHC-UHFFFAOYSA-N	-1	1	339.333	-0.184	20	30		EBEDMM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC	ZINC000336900861	378578641	/nfs/dbraw/zinc/57/86/41/378578641.db2.gz	BNSKTJWQKWXHAB-ZJUUUORDSA-N	-1	1	335.382	-0.593	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C	ZINC000355594912	380195705	/nfs/dbraw/zinc/19/57/05/380195705.db2.gz	VYGOJVKFQYWJCU-LBPRGKRZSA-N	-1	1	349.434	-0.121	20	30		EBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000292988339	380493601	/nfs/dbraw/zinc/49/36/01/380493601.db2.gz	FUSYVJOAKSDDQM-VHSXEESVSA-N	-1	1	328.398	-0.386	20	30		EBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)co1	ZINC000330469861	380823536	/nfs/dbraw/zinc/82/35/36/380823536.db2.gz	ZUCDHQLENBHSMV-SECBINFHSA-N	-1	1	345.377	-0.260	20	30		EBEDMM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1	ZINC000583575134	381515783	/nfs/dbraw/zinc/51/57/83/381515783.db2.gz	UFWVRWLRCKTQSE-CYBMUJFWSA-N	-1	1	327.337	-0.239	20	30		EBEDMM
N#Cc1ccnc([N-]c2cnn(CC(=O)NCCO)c2)c1[N+](=O)[O-]	ZINC000348350389	421214598	/nfs/dbraw/zinc/21/45/98/421214598.db2.gz	OKWKJSFKUYJGJD-UHFFFAOYSA-N	-1	1	331.292	-0.090	20	30		EBEDMM
CN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349568845	421195076	/nfs/dbraw/zinc/19/50/76/421195076.db2.gz	UNTNDUODTNBLAA-UHFFFAOYSA-N	-1	1	346.434	0.367	20	30		EBEDMM
Cc1cc([N-]S(=O)(=O)CCCCS(N)(=O)=O)ncc1C#N	ZINC000349603459	421291175	/nfs/dbraw/zinc/29/11/75/421291175.db2.gz	MMVMXKWEVDHPGT-UHFFFAOYSA-N	-1	1	332.407	0.072	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000737704069	582647534	/nfs/dbraw/zinc/64/75/34/582647534.db2.gz	CYKNGWNYIDYWHE-RXMQYKEDSA-N	-1	1	341.257	-0.147	20	30		EBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)CC#N)CC2)o1	ZINC000737467998	583009358	/nfs/dbraw/zinc/00/93/58/583009358.db2.gz	VMWDKGQGCXSCFZ-UHFFFAOYSA-N	-1	1	345.367	-0.733	20	30		EBEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)o1	ZINC000784204565	583484438	/nfs/dbraw/zinc/48/44/38/583484438.db2.gz	BVSDZHAQZXLYED-UHFFFAOYSA-N	-1	1	341.345	-0.093	20	30		EBEDMM
C#CCN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1CCS(=O)(=O)C1	ZINC000806492969	583650808	/nfs/dbraw/zinc/65/08/08/583650808.db2.gz	RKMWDCJEVRZABL-NSHDSACASA-N	-1	1	347.400	-0.004	20	30		EBEDMM
Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCC(=O)[O-])CC2)o1	ZINC000818985442	583753966	/nfs/dbraw/zinc/75/39/66/583753966.db2.gz	BGPYSKPHQTVABO-UHFFFAOYSA-N	-1	1	335.364	-0.090	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819751069	583760525	/nfs/dbraw/zinc/76/05/25/583760525.db2.gz	OGWMZBKTHLROCP-LLVKDONJSA-N	-1	1	343.395	-0.531	20	30		EBEDMM
C=CCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819751069	583760528	/nfs/dbraw/zinc/76/05/28/583760528.db2.gz	OGWMZBKTHLROCP-LLVKDONJSA-N	-1	1	343.395	-0.531	20	30		EBEDMM
C#CCOCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000823850013	583837771	/nfs/dbraw/zinc/83/77/71/583837771.db2.gz	GYUXFQWAWALZCM-UHFFFAOYSA-N	-1	1	332.368	-0.397	20	30		EBEDMM
C#CCOCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823850013	583837773	/nfs/dbraw/zinc/83/77/73/583837773.db2.gz	GYUXFQWAWALZCM-UHFFFAOYSA-N	-1	1	332.368	-0.397	20	30		EBEDMM
CC1(C)NC(=O)N(CCCn2c(N)nc(-c3nn[n-]n3)c2C#N)C1=O	ZINC000824812247	583850474	/nfs/dbraw/zinc/85/04/74/583850474.db2.gz	MIRWOWMOYVQTGZ-UHFFFAOYSA-N	-1	1	344.339	-0.762	20	30		EBEDMM
CCOC(=O)CCCNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N	ZINC000825512054	583862433	/nfs/dbraw/zinc/86/24/33/583862433.db2.gz	QZQRCSUNLUNAHU-UHFFFAOYSA-N	-1	1	332.324	-0.606	20	30		EBEDMM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826380744	583895764	/nfs/dbraw/zinc/89/57/64/583895764.db2.gz	LGAUIUVEOOKLBC-VIFPVBQESA-N	-1	1	338.324	-0.081	20	30		EBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000826383147	583895805	/nfs/dbraw/zinc/89/58/05/583895805.db2.gz	MXFMWKMNSCJPAM-UHFFFAOYSA-N	-1	1	327.264	-0.295	20	30		EBEDMM
N#Cc1ncn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826388290	583896270	/nfs/dbraw/zinc/89/62/70/583896270.db2.gz	QJKIVOMTIOTUEC-UHFFFAOYSA-N	-1	1	339.275	-0.010	20	30		EBEDMM
N#CC(C(=O)CCCCNC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC000833962208	584021322	/nfs/dbraw/zinc/02/13/22/584021322.db2.gz	XWQWYDDOVNUVNG-SNVBAGLBSA-N	-1	1	345.377	-0.610	20	30		EBEDMM
C#CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)OC	ZINC000841540563	584053744	/nfs/dbraw/zinc/05/37/44/584053744.db2.gz	NEXRQVMKXBFRBH-CYBMUJFWSA-N	-1	1	342.417	-0.128	20	30		EBEDMM
C#CC[C@H](CCOC)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000862193460	584349295	/nfs/dbraw/zinc/34/92/95/584349295.db2.gz	OPUCSODXTPFLCQ-LLVKDONJSA-N	-1	1	329.360	-0.175	20	30		EBEDMM
C#CCN1CCC2(CC1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)CCO2	ZINC000949132969	653807385	/nfs/dbraw/zinc/80/73/85/653807385.db2.gz	YXGSDNMDCGAHKO-UHFFFAOYSA-N	-1	1	333.348	-0.777	20	30		EBEDMM
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000965916930	724540057	/nfs/dbraw/zinc/54/00/57/724540057.db2.gz	NBISKVXVMOHABB-GXFFZTMASA-N	-1	1	343.391	-0.051	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000957219571	722176317	/nfs/dbraw/zinc/17/63/17/722176317.db2.gz	IIPBZWHDBKEYJA-VFZGTOFNSA-N	-1	1	343.347	-0.702	20	30		EBEDMM
C=C1CC(C)(C(=O)NC2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C2)C1	ZINC000999277320	726513032	/nfs/dbraw/zinc/51/30/32/726513032.db2.gz	IHEHNLZDMCMXBJ-UHFFFAOYSA-N	-1	1	342.359	-0.286	20	30		EBEDMM
C=CC(C)(C)C(=O)N1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001003319177	726669546	/nfs/dbraw/zinc/66/95/46/726669546.db2.gz	MAWNQLRFSDEOPI-UHFFFAOYSA-N	-1	1	344.375	-0.182	20	30		EBEDMM
C#Cc1cncc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1	ZINC001003593623	726681992	/nfs/dbraw/zinc/68/19/92/726681992.db2.gz	AOYIMGVRRBPUEP-UHFFFAOYSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)C#N)C1	ZINC001006451611	726769666	/nfs/dbraw/zinc/76/96/66/726769666.db2.gz	GMLFRPKKZXRIHU-JGVFFNPUSA-N	-1	1	349.347	-0.367	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O	ZINC001007134771	726789461	/nfs/dbraw/zinc/78/94/61/726789461.db2.gz	QKFCYNPFAARFKO-NSHDSACASA-N	-1	1	329.364	-0.297	20	30		EBEDMM
C#CCCN1CCC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001008891072	726823420	/nfs/dbraw/zinc/82/34/20/726823420.db2.gz	FWCQGRMCLPTUCO-GFCCVEGCSA-N	-1	1	328.376	-0.325	20	30		EBEDMM
Cn1[n-]c(CN2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc1=O	ZINC001023318215	729662922	/nfs/dbraw/zinc/66/29/22/729662922.db2.gz	DWTGUQDSYMOHRX-NSHDSACASA-N	-1	1	343.391	-0.050	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2CC[C@H](NCC#N)[C@H]2C1	ZINC001026397881	730143108	/nfs/dbraw/zinc/14/31/08/730143108.db2.gz	QQKJPWDGVCRYDH-GUBZILKMSA-N	-1	1	333.348	-0.140	20	30		EBEDMM
C#Cc1cncc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001028126210	730268628	/nfs/dbraw/zinc/26/86/28/730268628.db2.gz	HLPMYTGNZXZXNI-AWEZNQCLSA-N	-1	1	340.387	-0.121	20	30		EBEDMM
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001033599413	731046073	/nfs/dbraw/zinc/04/60/73/731046073.db2.gz	RFIBYLPUCHIALR-CQSZACIVSA-N	-1	1	340.387	-0.169	20	30		EBEDMM
CC[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@H]1NCC#N	ZINC001037945191	731274126	/nfs/dbraw/zinc/27/41/26/731274126.db2.gz	JACHZBKQSAMTHB-QWHCGFSZSA-N	-1	1	333.392	-0.333	20	30		EBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nc1	ZINC001038943944	731396424	/nfs/dbraw/zinc/39/64/24/731396424.db2.gz	ZQKRPNTVTFXGDE-LBPRGKRZSA-N	-1	1	326.360	-0.511	20	30		EBEDMM
C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042720517	732551604	/nfs/dbraw/zinc/55/16/04/732551604.db2.gz	XSPQOQLQNXXAFP-UHFFFAOYSA-N	-1	1	333.344	-0.870	20	30		EBEDMM
C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001043571367	733007849	/nfs/dbraw/zinc/00/78/49/733007849.db2.gz	NVWMVOXAAQGGIA-LLVKDONJSA-N	-1	1	335.360	-0.319	20	30		EBEDMM
C=C1CCC(C(=O)N(C)[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001047512932	734233637	/nfs/dbraw/zinc/23/36/37/734233637.db2.gz	YGALKJFZCIIGHF-KBPBESRZSA-N	-1	1	349.435	-0.142	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]2CN(CC#N)C[C@H]21	ZINC001050182760	734863029	/nfs/dbraw/zinc/86/30/29/734863029.db2.gz	AUIGEXVVGNUWOR-VHSXEESVSA-N	-1	1	333.348	-0.044	20	30		EBEDMM
CC#CCN1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051207379	735098935	/nfs/dbraw/zinc/09/89/35/735098935.db2.gz	RGGUWJMIZOVQOM-SNVBAGLBSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C#CCCN1CCOC[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001051210503	735099915	/nfs/dbraw/zinc/09/99/15/735099915.db2.gz	WJLYBNUKBPCHGQ-SNVBAGLBSA-N	-1	1	336.348	-0.650	20	30		EBEDMM
C=CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)n3[n-]cnc3n1)O2	ZINC001053686155	735967542	/nfs/dbraw/zinc/96/75/42/735967542.db2.gz	IUNRJNQMNOCRSH-NSHDSACASA-N	-1	1	344.375	-0.433	20	30		EBEDMM
C=CCN1CC2(C1)C[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)CO2	ZINC001053981683	736132542	/nfs/dbraw/zinc/13/25/42/736132542.db2.gz	SCYNPTFLAVPFLG-JTQLQIEISA-N	-1	1	330.348	-0.823	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074186	739510973	/nfs/dbraw/zinc/51/09/73/739510973.db2.gz	UEPUEWCDPMDAPG-QWHCGFSZSA-N	-1	1	347.371	-0.217	20	30		EBEDMM
N#Cc1cnc(N2C[C@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)cn1	ZINC001067665168	740177743	/nfs/dbraw/zinc/17/77/43/740177743.db2.gz	KMIITRQXJPJHFF-GWCFXTLKSA-N	-1	1	340.343	-0.324	20	30		EBEDMM
N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001067666282	740179793	/nfs/dbraw/zinc/17/97/93/740179793.db2.gz	ZUGGLIONHCFYHG-GXFFZTMASA-N	-1	1	340.343	-0.324	20	30		EBEDMM
C#CCN1CC[C@]2(C1)CN(C(=O)c1cnc([O-])n(C)c1=O)C[C@H](C)O2	ZINC001071198698	741085105	/nfs/dbraw/zinc/08/51/05/741085105.db2.gz	CKFLLWXHRBJKAT-SJCJKPOMSA-N	-1	1	346.387	-0.576	20	30		EBEDMM
C=CCCC(=O)N[C@H]1CN(C(=O)c2cc(=O)n3nc[n-]c3n2)C[C@H]1C	ZINC001072426840	741395322	/nfs/dbraw/zinc/39/53/22/741395322.db2.gz	NJLDKISJHUHDAS-PWSUYJOCSA-N	-1	1	344.375	-0.040	20	30		EBEDMM
CC#CCN1CCCO[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001073804667	741747605	/nfs/dbraw/zinc/74/76/05/741747605.db2.gz	SCRGBURRULBDGZ-CYBMUJFWSA-N	-1	1	343.387	-0.133	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CN(CC#N)CCCO1	ZINC001073859187	741766678	/nfs/dbraw/zinc/76/66/78/741766678.db2.gz	CLURBWBHQYYLQQ-VIFPVBQESA-N	-1	1	337.336	-0.759	20	30		EBEDMM
C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1=O	ZINC001076916830	742642193	/nfs/dbraw/zinc/64/21/93/742642193.db2.gz	DPCFVKRMWISGIR-YRGRVCCFSA-N	-1	1	346.387	-0.651	20	30		EBEDMM
C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077488509	743014104	/nfs/dbraw/zinc/01/41/04/743014104.db2.gz	UGVZXRUIFLZIJI-JTQLQIEISA-N	-1	1	348.363	-0.755	20	30		EBEDMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1	ZINC000979299157	805275588	/nfs/dbraw/zinc/27/55/88/805275588.db2.gz	YNZVPPLPIVCXGA-BXKDBHETSA-N	-1	1	345.363	-0.271	20	30		EBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015829525	810595572	/nfs/dbraw/zinc/59/55/72/810595572.db2.gz	VPWUCTLGRPPLAQ-OBJOEFQTSA-N	-1	1	335.408	-0.220	20	30		EBEDMM
N#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)CC[C@H]21	ZINC001036869810	811297669	/nfs/dbraw/zinc/29/76/69/811297669.db2.gz	KPADAZBZOMPEHS-ZYHUDNBSSA-N	-1	1	327.348	-0.522	20	30		EBEDMM
C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1	ZINC001079644749	811627921	/nfs/dbraw/zinc/62/79/21/811627921.db2.gz	RHJXVVFPEIMJDS-UHFFFAOYSA-N	-1	1	344.371	-0.400	20	30		EBEDMM
C=CCCC(=O)N1CC(N(CC)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001080099866	811897205	/nfs/dbraw/zinc/89/72/05/811897205.db2.gz	CKXUGAICCAQQGA-UHFFFAOYSA-N	-1	1	348.403	-0.048	20	30		EBEDMM
CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CN(C(=O)[C@H](C)C#N)C1	ZINC001080100254	811898846	/nfs/dbraw/zinc/89/88/46/811898846.db2.gz	SYVLWGFUIHFLMS-LLVKDONJSA-N	-1	1	347.375	-0.854	20	30		EBEDMM
COCC#CCN1CCC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1	ZINC001228156376	811965244	/nfs/dbraw/zinc/96/52/44/811965244.db2.gz	ICIUANKQGBCWTP-UHFFFAOYSA-N	-1	1	349.391	-0.554	20	30		EBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)nc1	ZINC001080807971	812247589	/nfs/dbraw/zinc/24/75/89/812247589.db2.gz	CAWKZSSWGPSUFV-BXUZGUMPSA-N	-1	1	340.387	-0.265	20	30		EBEDMM
CCN(CC#CCOC)CCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001267252541	813804788	/nfs/dbraw/zinc/80/47/88/813804788.db2.gz	SANCYNMNIUVDKZ-UHFFFAOYSA-N	-1	1	331.376	-0.276	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1	ZINC001269411887	814682207	/nfs/dbraw/zinc/68/22/07/814682207.db2.gz	WZKFTBSQPFUJBC-LBPRGKRZSA-N	-1	1	343.387	-0.201	20	30		EBEDMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ccc(C#N)[nH]1	ZINC001085552457	816069891	/nfs/dbraw/zinc/06/98/91/816069891.db2.gz	DVDUUMIIHQOHFL-NSHDSACASA-N	-1	1	329.364	-0.345	20	30		EBEDMM
CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC001276580220	817434059	/nfs/dbraw/zinc/43/40/59/817434059.db2.gz	QZAULYLMXBYHAB-GFCCVEGCSA-N	-1	1	331.376	-0.133	20	30		EBEDMM
C#CCN(C(=O)c1cn[nH]c1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001278121580	817704284	/nfs/dbraw/zinc/70/42/84/817704284.db2.gz	FXHDPJYHYLCQGI-UHFFFAOYSA-N	-1	1	343.391	-0.429	20	30		EBEDMM
COCC#CCN1CCC[C@@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001279479620	817938209	/nfs/dbraw/zinc/93/82/09/817938209.db2.gz	JZMGBTJEYUTCQD-QGZVFWFLSA-N	-1	1	333.388	-0.006	20	30		EBEDMM
C#CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001280283124	818031686	/nfs/dbraw/zinc/03/16/86/818031686.db2.gz	OISBMDVYGMRPIC-STQMWFEESA-N	-1	1	348.403	-0.260	20	30		EBEDMM
N#Cc1ccc(NCCCNC(=O)c2cc(=O)n3[n-]cnc3n2)cn1	ZINC001094502714	818279087	/nfs/dbraw/zinc/27/90/87/818279087.db2.gz	XAQHLFWOOXXGIB-UHFFFAOYSA-N	-1	1	338.331	-0.084	20	30		EBEDMM
C=CCNC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C1	ZINC001282847279	818500205	/nfs/dbraw/zinc/50/02/05/818500205.db2.gz	BCSRBOYGPWEGKP-CNDDSTCGSA-N	-1	1	333.392	-0.366	20	30		EBEDMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Nc1ccc(C#N)nn1	ZINC001097939803	819057773	/nfs/dbraw/zinc/05/77/73/819057773.db2.gz	NTAGCKNJJSZCSE-JTQLQIEISA-N	-1	1	343.347	-0.795	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1	ZINC001097952122	819063466	/nfs/dbraw/zinc/06/34/66/819063466.db2.gz	MFELQZQIWPFKKX-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1	ZINC001097951734	819063493	/nfs/dbraw/zinc/06/34/93/819063493.db2.gz	DFMFFAJPKAUQFD-SSDOTTSWSA-N	-1	1	345.319	-0.212	20	30		EBEDMM
C=CCOCC(=O)NCC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001284420969	819223851	/nfs/dbraw/zinc/22/38/51/819223851.db2.gz	RRXDRNDQUQQZTJ-SNVBAGLBSA-N	-1	1	348.363	-0.755	20	30		EBEDMM
CN(CCNC(=O)C#CC(C)(C)C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284521366	819269509	/nfs/dbraw/zinc/26/95/09/819269509.db2.gz	VDAUPXJBLHCILX-UHFFFAOYSA-N	-1	1	348.403	-0.449	20	30		EBEDMM
C[C@H](C#N)C(=O)NCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001284749730	819346949	/nfs/dbraw/zinc/34/69/49/819346949.db2.gz	LFAOBXNRTQCJLO-LLVKDONJSA-N	-1	1	347.375	-0.806	20	30		EBEDMM
C#CCCCC(=O)N(C)CCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001285366366	819556718	/nfs/dbraw/zinc/55/67/18/819556718.db2.gz	FYDKTMUHDYFDLM-UHFFFAOYSA-N	-1	1	344.375	-0.249	20	30		EBEDMM
C#CCCCC(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285639938	819703736	/nfs/dbraw/zinc/70/37/36/819703736.db2.gz	YDTLYBYXVVDWHI-GFCCVEGCSA-N	-1	1	334.376	-0.649	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN1C(=O)C#CC(C)C	ZINC001285879366	819804504	/nfs/dbraw/zinc/80/45/04/819804504.db2.gz	GMDQXRDUQQWIAC-SNVBAGLBSA-N	-1	1	348.359	-0.114	20	30		EBEDMM
C=CCCC(=O)N[C@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001287661125	820092068	/nfs/dbraw/zinc/09/20/68/820092068.db2.gz	GJTHDPRNTGHFAA-GFCCVEGCSA-N	-1	1	336.392	-0.144	20	30		EBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001288072169	820229602	/nfs/dbraw/zinc/22/96/02/820229602.db2.gz	AKGWUDOROMBDDK-BZPMIXESSA-N	-1	1	349.387	-0.073	20	30		EBEDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNc1nccnc1C#N	ZINC001101699382	820883955	/nfs/dbraw/zinc/88/39/55/820883955.db2.gz	XZYCFPZMJWZFEX-UHFFFAOYSA-N	-1	1	345.319	-0.258	20	30		EBEDMM
C=CCCC(=O)N1CC(n2cc(CNCc3nc(=O)n(C)[n-]3)nn2)C1	ZINC001105185092	821607640	/nfs/dbraw/zinc/60/76/40/821607640.db2.gz	GPYFEFBZAKUUDI-UHFFFAOYSA-N	-1	1	346.395	-0.661	20	30		EBEDMM
CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001316726359	821837316	/nfs/dbraw/zinc/83/73/16/821837316.db2.gz	LCMWTOTUBONQOL-WDEREUQCSA-N	-1	1	338.437	-0.166	20	30		EBEDMM
C=C(C)CN1CCO[C@](C)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001108340943	824228073	/nfs/dbraw/zinc/22/80/73/824228073.db2.gz	NRRSQCDPFPNDDE-MRXNPFEDSA-N	-1	1	346.391	-0.186	20	30		EBEDMM
C[C@@H](CNc1ncccc1C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001108445533	824290118	/nfs/dbraw/zinc/29/01/18/824290118.db2.gz	XUQJTCUEJSAUAU-NSHDSACASA-N	-1	1	342.359	-0.190	20	30		EBEDMM
C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110182942	824672490	/nfs/dbraw/zinc/67/24/90/824672490.db2.gz	FZLHCWDVOYTUTE-NDBYEHHHSA-N	-1	1	335.408	-0.079	20	30		EBEDMM
N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3ncccc3[O-])C2)cn1	ZINC001111065513	824893930	/nfs/dbraw/zinc/89/39/30/824893930.db2.gz	DQWCNCBCDWIMBT-MRXNPFEDSA-N	-1	1	340.343	-0.180	20	30		EBEDMM
N#Cc1nccc(NCCN(CCO)C(=O)c2ncccc2[O-])n1	ZINC001111465685	825143440	/nfs/dbraw/zinc/14/34/40/825143440.db2.gz	IZYANLHXRGANFI-UHFFFAOYSA-N	-1	1	328.332	-0.583	20	30		EBEDMM
C#CCOc1cc(F)ccc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O	ZINC001117396864	826740529	/nfs/dbraw/zinc/74/05/29/826740529.db2.gz	NNYADXRNHJJXHS-UHFFFAOYSA-N	-1	1	334.263	-0.641	20	30		EBEDMM
CN(C[C@H](O)CNc1ccnc(C#N)n1)C(=O)c1ncccc1[O-]	ZINC001124329484	827815397	/nfs/dbraw/zinc/81/53/97/827815397.db2.gz	KGZXZMPSHVCNDU-SNVBAGLBSA-N	-1	1	328.332	-0.584	20	30		EBEDMM
C=C(Br)CNCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001130752046	828928161	/nfs/dbraw/zinc/92/81/61/828928161.db2.gz	PSNCMLRDWIBJKZ-UHFFFAOYSA-N	-1	1	346.185	-0.170	20	30		EBEDMM
C[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1CNCC#N	ZINC001133241242	829610682	/nfs/dbraw/zinc/61/06/82/829610682.db2.gz	GJOAURQBUWMKRT-QWRGUYRKSA-N	-1	1	329.364	-0.371	20	30		EBEDMM
C[C@H]1[C@H](NC(=O)C(C#N)Cc2cccs2)C(=O)N1S(=O)(=O)[O-]	ZINC001177916784	832809993	/nfs/dbraw/zinc/80/99/93/832809993.db2.gz	ZWULREKQIWKRSL-XKSSXDPKSA-N	-1	1	343.386	-0.051	20	30		EBEDMM
C#CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)CCC1	ZINC001212393490	837673842	/nfs/dbraw/zinc/67/38/42/837673842.db2.gz	PCTAYPAJAYJQGD-CHWSQXEVSA-N	-1	1	347.419	-0.383	20	30		EBEDMM
C=C(C)CN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1	ZINC001212508024	837705558	/nfs/dbraw/zinc/70/55/58/837705558.db2.gz	ZMBAWFBRYDESQS-VXGBXAGGSA-N	-1	1	337.380	-0.393	20	30		EBEDMM
C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187755652	833965545	/nfs/dbraw/zinc/96/55/45/833965545.db2.gz	PODYOMUPZDFPDE-OZVIIMIRSA-N	-1	1	335.408	-0.532	20	30		EBEDMM
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-][C@@H](C#N)C(N)=O)C1	ZINC001201715586	836181634	/nfs/dbraw/zinc/18/16/34/836181634.db2.gz	HAHVJAFFBIEUGB-IUCAKERBSA-N	-1	1	332.382	-0.707	20	30		EBEDMM
C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001325837045	839952546	/nfs/dbraw/zinc/95/25/46/839952546.db2.gz	PBXIMQSRTLRVLM-KRWDZBQOSA-N	-1	1	348.403	-0.354	20	30		EBEDMM
C=C(C)C(C)(C)C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001329679768	840986808	/nfs/dbraw/zinc/98/68/08/840986808.db2.gz	CVHJYJKCIWPVQW-UHFFFAOYSA-N	-1	1	337.424	-0.236	20	30		EBEDMM
C[C@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337428796	842614628	/nfs/dbraw/zinc/61/46/28/842614628.db2.gz	FCVGDMLNEFNMAH-WDEREUQCSA-N	-1	1	335.364	-0.951	20	30		EBEDMM
O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001337639347	842653588	/nfs/dbraw/zinc/65/35/88/842653588.db2.gz	ULEPWJHBIHQOLF-LBPRGKRZSA-N	-1	1	344.371	-0.320	20	30		EBEDMM
CN(C)C(=O)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1	ZINC001342537874	843167717	/nfs/dbraw/zinc/16/77/17/843167717.db2.gz	JQYFXHMTQXMMNO-SNVBAGLBSA-N	-1	1	341.331	-0.278	20	30		EBEDMM
C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573285440	946778751	/nfs/dbraw/zinc/77/87/51/946778751.db2.gz	ICNJCESOYWHWBZ-GHMZBOCLSA-N	-1	1	342.363	-0.870	20	30		EBEDMM
C#CCO[C@@H](C)C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573287880	946848940	/nfs/dbraw/zinc/84/89/40/946848940.db2.gz	PXWXHPMWUGYKQI-NSHDSACASA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C#CCO[C@H](C)C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573287876	946850543	/nfs/dbraw/zinc/85/05/43/946850543.db2.gz	PXWXHPMWUGYKQI-LLVKDONJSA-N	-1	1	344.379	-0.363	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573562613	946976372	/nfs/dbraw/zinc/97/63/72/946976372.db2.gz	VCHCYNJZAZTGOQ-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573562613	946976378	/nfs/dbraw/zinc/97/63/78/946976378.db2.gz	VCHCYNJZAZTGOQ-ZJUUUORDSA-N	-1	1	327.352	-0.147	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1	ZINC001573563507	946982923	/nfs/dbraw/zinc/98/29/23/946982923.db2.gz	AHGNPWNSBIKKAJ-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1	ZINC001573563507	946982931	/nfs/dbraw/zinc/98/29/31/946982931.db2.gz	AHGNPWNSBIKKAJ-MXWKQRLJSA-N	-1	1	339.363	-0.004	20	30		EBEDMM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573567723	947054694	/nfs/dbraw/zinc/05/46/94/947054694.db2.gz	RHQZHQCNRMYHNH-UWVGGRQHSA-N	-1	1	327.352	-0.359	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC001573571959	947106882	/nfs/dbraw/zinc/10/68/82/947106882.db2.gz	BVFXKKXCJNWLPW-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC001573571959	947106885	/nfs/dbraw/zinc/10/68/85/947106885.db2.gz	BVFXKKXCJNWLPW-UWVGGRQHSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573574649	947130607	/nfs/dbraw/zinc/13/06/07/947130607.db2.gz	SIHPVSZIYIYLCN-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573574649	947130612	/nfs/dbraw/zinc/13/06/12/947130612.db2.gz	SIHPVSZIYIYLCN-OTYXRUKQSA-N	-1	1	327.352	-0.099	20	30		EBEDMM
C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1	ZINC001573577030	947159913	/nfs/dbraw/zinc/15/99/13/947159913.db2.gz	LDXMRDSHFWIMEJ-SECBINFHSA-N	-1	1	347.404	-0.249	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1	ZINC001573577149	947162090	/nfs/dbraw/zinc/16/20/90/947162090.db2.gz	MTGNXIKIFDMWKN-WPRPVWTQSA-N	-1	1	327.352	-0.455	20	30		EBEDMM
C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573307118	947177892	/nfs/dbraw/zinc/17/78/92/947177892.db2.gz	PCERZPQCZXNPMV-MEBBXXQBSA-N	-1	1	346.395	-0.430	20	30		EBEDMM
C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573583145	947200549	/nfs/dbraw/zinc/20/05/49/947200549.db2.gz	KCLMLXDVACKSJW-VHSXEESVSA-N	-1	1	327.352	-0.241	20	30		EBEDMM
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309807	947209741	/nfs/dbraw/zinc/20/97/41/947209741.db2.gz	OSWQYKFQXYDJMZ-ZUZCIYMTSA-N	-1	1	344.379	-0.321	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C	ZINC001573585333	947252524	/nfs/dbraw/zinc/25/25/24/947252524.db2.gz	OTLGGHKIXKAKMV-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC001573585333	947252539	/nfs/dbraw/zinc/25/25/39/947252539.db2.gz	OTLGGHKIXKAKMV-FXPVBKGRSA-N	-1	1	327.352	-0.243	20	30		EBEDMM
C[C@H](C#N)N(C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CC1	ZINC001573587206	947302712	/nfs/dbraw/zinc/30/27/12/947302712.db2.gz	XXKQJAKTIZDLKR-MRVPVSSYSA-N	-1	1	344.335	-0.578	20	30		EBEDMM
C=CCCC(=O)Cn1c(=O)c(-c2nn[n-]n2)c(C)n(CCO)c1=O	ZINC001573330129	947430269	/nfs/dbraw/zinc/43/02/69/947430269.db2.gz	UQRLLAFPBKXBSL-UHFFFAOYSA-N	-1	1	334.336	-0.974	20	30		EBEDMM
C=CCCCC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1	ZINC001573335051	947470327	/nfs/dbraw/zinc/47/03/27/947470327.db2.gz	VQDVORHOZAFQBH-JTQLQIEISA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=CCCCC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1	ZINC001573335051	947470339	/nfs/dbraw/zinc/47/03/39/947470339.db2.gz	VQDVORHOZAFQBH-JTQLQIEISA-N	-1	1	332.368	-0.098	20	30		EBEDMM
C=CCOCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573343651	947562710	/nfs/dbraw/zinc/56/27/10/947562710.db2.gz	RQBXEFRENYTVRZ-SNVBAGLBSA-N	-1	1	332.368	-0.200	20	30		EBEDMM
C=CCn1cc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)nn1	ZINC001573351884	947622030	/nfs/dbraw/zinc/62/20/30/947622030.db2.gz	XAFKRPRPOSXOFW-UHFFFAOYSA-N	-1	1	341.339	-0.724	20	30		EBEDMM
C=CCn1cc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)nn1	ZINC001573351884	947622036	/nfs/dbraw/zinc/62/20/36/947622036.db2.gz	XAFKRPRPOSXOFW-UHFFFAOYSA-N	-1	1	341.339	-0.724	20	30		EBEDMM
CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)C1	ZINC001573434819	948219987	/nfs/dbraw/zinc/21/99/87/948219987.db2.gz	XCBMECVNCYIKGX-SNVBAGLBSA-N	-1	1	327.352	-0.167	20	30		EBEDMM
CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)C1	ZINC001573434819	948219994	/nfs/dbraw/zinc/21/99/94/948219994.db2.gz	XCBMECVNCYIKGX-SNVBAGLBSA-N	-1	1	327.352	-0.167	20	30		EBEDMM
C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1	ZINC001576214420	950670225	/nfs/dbraw/zinc/67/02/25/950670225.db2.gz	AGUULUNIOBLRQN-CMPLNLGQSA-N	-1	1	338.375	-0.249	20	30		EBEDMM
CN1CC[C@@H](N2CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2)C1=O	ZINC001588869881	962042322	/nfs/dbraw/zinc/04/23/22/962042322.db2.gz	AJPMCBPGHLTFFB-WBMJQRKESA-N	-1	1	336.392	-0.198	20	30		EBEDMM
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001588461046	983488551	/nfs/dbraw/zinc/48/85/51/983488551.db2.gz	DADFYNLQNAWUJE-NWDGAFQWSA-N	-1	1	325.365	-0.099	20	30		EBEDMM
C=CCCn1cc(CN(CCN2CCN(C)CC2)CC(=O)[O-])nn1	ZINC001588817206	984275332	/nfs/dbraw/zinc/27/53/32/984275332.db2.gz	DSNDGWGDTMKFEF-UHFFFAOYSA-N	-1	1	336.440	-0.012	20	30		EBEDMM
C[C@@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)n1cnc(C#N)n1	ZINC001413454394	1130094141	/nfs/dbraw/zinc/09/41/41/1130094141.db2.gz	NCGYEADLCXPRMH-QMMMGPOBSA-N	-1	1	329.320	-0.405	20	30		EBEDMM
CC[C@H](CNC(=O)C#CC(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001356882857	1130980559	/nfs/dbraw/zinc/98/05/59/1130980559.db2.gz	AVPHYSAOVGXIEH-CYBMUJFWSA-N	-1	1	348.403	-0.403	20	30		EBEDMM
C=CCOCC(=O)NC/C=C\CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001357665576	1131113674	/nfs/dbraw/zinc/11/36/74/1131113674.db2.gz	ZKQYNFYFLRUISJ-ARJAWSKDSA-N	-1	1	346.347	-0.978	20	30		EBEDMM
C=C(Cl)CNC[C@H](O)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001374658478	1136781729	/nfs/dbraw/zinc/78/17/29/1136781729.db2.gz	SVKSNWCPCMIJCK-VIFPVBQESA-N	-1	1	325.756	-0.545	20	30		EBEDMM