smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000026259907	388435324	/nfs/dbraw/zinc/43/53/24/388435324.db2.gz	CAPNUSRNRFRZPX-UHFFFAOYSA-N	-1	1	221.172	-0.354	20	30		BBEDMM
C#CCNC(=O)CN1CCC(C(=O)[O-])CC1	ZINC000035083891	600033422	/nfs/dbraw/zinc/03/34/22/600033422.db2.gz	KFOVBOYVKOFLDE-UHFFFAOYSA-N	-1	1	224.260	-0.468	20	30		BBEDMM
C#CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000035084053	600843447	/nfs/dbraw/zinc/84/34/47/600843447.db2.gz	IHPDVWXGVPHKLO-VIFPVBQESA-N	-1	1	224.260	-0.468	20	30		BBEDMM
C#CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1	ZINC000035084054	600137322	/nfs/dbraw/zinc/13/73/22/600137322.db2.gz	IHPDVWXGVPHKLO-SECBINFHSA-N	-1	1	224.260	-0.468	20	30		BBEDMM
N#CCCNC(=O)CN1CCC(C(=O)[O-])CC1	ZINC000035084349	596920789	/nfs/dbraw/zinc/92/07/89/596920789.db2.gz	VKYPSIOOTDPZBM-UHFFFAOYSA-N	-1	1	239.275	-0.187	20	30		BBEDMM
N#CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000035084352	600135440	/nfs/dbraw/zinc/13/54/40/600135440.db2.gz	RVDGYOPJZJOUSJ-VIFPVBQESA-N	-1	1	239.275	-0.187	20	30		BBEDMM
N#CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1	ZINC000035084353	600135504	/nfs/dbraw/zinc/13/55/04/600135504.db2.gz	RVDGYOPJZJOUSJ-SECBINFHSA-N	-1	1	239.275	-0.187	20	30		BBEDMM
N#CCNC(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000035296622	181041955	/nfs/dbraw/zinc/04/19/55/181041955.db2.gz	PRUCUALSAMLEBZ-QMMMGPOBSA-N	-1	1	225.248	-0.577	20	30		BBEDMM
N#CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1	ZINC000035296623	181041689	/nfs/dbraw/zinc/04/16/89/181041689.db2.gz	PRUCUALSAMLEBZ-MRVPVSSYSA-N	-1	1	225.248	-0.577	20	30		BBEDMM
N#CCNC(=O)CN1CCC(C(=O)[O-])CC1	ZINC000035299640	181042200	/nfs/dbraw/zinc/04/22/00/181042200.db2.gz	WLEDWZZJCHPRFW-UHFFFAOYSA-N	-1	1	225.248	-0.577	20	30		BBEDMM
C=CCNC(=O)NC(=O)CN(C)CCC(=O)[O-]	ZINC000037932823	712788390	/nfs/dbraw/zinc/78/83/90/712788390.db2.gz	CRIYKOSVPJKOEK-UHFFFAOYSA-N	-1	1	243.263	-0.595	20	30		BBEDMM
N#CCNC(=O)CN1CCCC[C@H]1CC(=O)[O-]	ZINC000038027712	181042055	/nfs/dbraw/zinc/04/20/55/181042055.db2.gz	NXVHIUFRFDEYTN-VIFPVBQESA-N	-1	1	239.275	-0.045	20	30		BBEDMM
N#CCNC(=O)CN1CCCC[C@@H]1CC(=O)[O-]	ZINC000038027713	181042162	/nfs/dbraw/zinc/04/21/62/181042162.db2.gz	NXVHIUFRFDEYTN-SECBINFHSA-N	-1	1	239.275	-0.045	20	30		BBEDMM
Cn1cnc(S(=O)(=O)[N-]CC#N)c1Cl	ZINC000040807102	373756246	/nfs/dbraw/zinc/75/62/46/373756246.db2.gz	WRZFIDLZHIUUSL-UHFFFAOYSA-N	-1	1	234.668	-0.125	20	30		BBEDMM
O=C(C#Cc1ccccc1)NCc1nn[n-]n1	ZINC000044927165	640474734	/nfs/dbraw/zinc/47/47/34/640474734.db2.gz	ANZZKOWMOJJDDV-UHFFFAOYSA-N	-1	1	227.227	-0.132	20	30		BBEDMM
N#CC1(C(=O)NCc2nn[n-]n2)CCCC1	ZINC000044933008	411142413	/nfs/dbraw/zinc/14/24/13/411142413.db2.gz	DYHRFCRCYJLDMV-UHFFFAOYSA-N	-1	1	220.236	-0.100	20	30		BBEDMM
C=CCCO[C@@H](C)C(=O)NN1CC(=O)[N-]C1=O	ZINC000049340928	386613642	/nfs/dbraw/zinc/61/36/42/386613642.db2.gz	NGSGECUPKCSWEQ-ZETCQYMHSA-N	-1	1	241.247	-0.449	20	30		BBEDMM
C=CCCO[C@H](C)C(=O)NN1CC(=O)[N-]C1=O	ZINC000049340929	386616560	/nfs/dbraw/zinc/61/65/60/386616560.db2.gz	NGSGECUPKCSWEQ-SSDOTTSWSA-N	-1	1	241.247	-0.449	20	30		BBEDMM
N#Cc1cc([N+](=O)[O-])cnc1NCc1nn[n-]n1	ZINC000050442516	357510943	/nfs/dbraw/zinc/51/09/43/357510943.db2.gz	XXJFVZPAHQTVTE-UHFFFAOYSA-N	-1	1	246.190	-0.013	20	30		BBEDMM
N#CCNC(=O)CN1CCC[C@H](CC(=O)[O-])C1	ZINC000054300196	597088381	/nfs/dbraw/zinc/08/83/81/597088381.db2.gz	MWQBLNBNFYSHEM-SECBINFHSA-N	-1	1	239.275	-0.187	20	30		BBEDMM
N#CCNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1	ZINC000054300200	597088447	/nfs/dbraw/zinc/08/84/47/597088447.db2.gz	MWQBLNBNFYSHEM-VIFPVBQESA-N	-1	1	239.275	-0.187	20	30		BBEDMM
N#Cc1nccnc1N1CCN(CC(=O)[O-])CC1	ZINC000054376625	599840976	/nfs/dbraw/zinc/84/09/76/599840976.db2.gz	ODNYZCVXJGZFGY-UHFFFAOYSA-N	-1	1	247.258	-0.445	20	30		BBEDMM
N#Cc1nccnc1NCc1nn[n-]n1	ZINC000054378212	181175320	/nfs/dbraw/zinc/17/53/20/181175320.db2.gz	LLSRRTXJUMJHAN-UHFFFAOYSA-N	-1	1	202.181	-0.527	20	30		BBEDMM
N#CCCNC(=O)CN1CC[C@@H](C(=O)[O-])C1	ZINC000062134380	597531797	/nfs/dbraw/zinc/53/17/97/597531797.db2.gz	VDKOHGISHIIIGO-MRVPVSSYSA-N	-1	1	225.248	-0.577	20	30		BBEDMM
N#CCCNC(=O)CN1CC[C@H](C(=O)[O-])C1	ZINC000062134381	597531688	/nfs/dbraw/zinc/53/16/88/597531688.db2.gz	VDKOHGISHIIIGO-QMMMGPOBSA-N	-1	1	225.248	-0.577	20	30		BBEDMM
N#CCNC(=O)CN1CC[C@@H](C(=O)[O-])C1	ZINC000062134406	599923660	/nfs/dbraw/zinc/92/36/60/599923660.db2.gz	UGEXADFAKHCMMM-SSDOTTSWSA-N	-1	1	211.221	-0.967	20	30		BBEDMM
N#CCNC(=O)CN1CC[C@H](C(=O)[O-])C1	ZINC000062134407	599923466	/nfs/dbraw/zinc/92/34/66/599923466.db2.gz	UGEXADFAKHCMMM-ZETCQYMHSA-N	-1	1	211.221	-0.967	20	30		BBEDMM
C=CCCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000070593199	600561891	/nfs/dbraw/zinc/56/18/91/600561891.db2.gz	QWMMOATUQQBECU-QMMMGPOBSA-N	-1	1	212.249	-0.162	20	30		BBEDMM
C=CCCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000070593200	600561950	/nfs/dbraw/zinc/56/19/50/600561950.db2.gz	QWMMOATUQQBECU-MRVPVSSYSA-N	-1	1	212.249	-0.162	20	30		BBEDMM
C=CCNC(=O)CNC(C)(C)C(=O)[O-]	ZINC000083644136	599829185	/nfs/dbraw/zinc/82/91/85/599829185.db2.gz	BXGQSWJEWQTXBD-UHFFFAOYSA-N	-1	1	200.238	-0.259	20	30		BBEDMM
C#CCNCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000086156995	605501134	/nfs/dbraw/zinc/50/11/34/605501134.db2.gz	DYCGJJGKKNUEFX-VIFPVBQESA-N	-1	1	212.249	-0.565	20	30		BBEDMM
C#CCNCC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000086156996	605500235	/nfs/dbraw/zinc/50/02/35/605500235.db2.gz	DYCGJJGKKNUEFX-SECBINFHSA-N	-1	1	212.249	-0.565	20	30		BBEDMM
CC[C@](C)(NCC(=O)NCC#N)C(=O)[O-]	ZINC000086799211	600562101	/nfs/dbraw/zinc/56/21/01/600562101.db2.gz	HYNKQNTUNLNVAD-VIFPVBQESA-N	-1	1	213.237	-0.531	20	30		BBEDMM
CC[C@@](C)(NCC(=O)NCC#N)C(=O)[O-]	ZINC000086799213	600562262	/nfs/dbraw/zinc/56/22/62/600562262.db2.gz	HYNKQNTUNLNVAD-SECBINFHSA-N	-1	1	213.237	-0.531	20	30		BBEDMM
C=CCOCCCC(=O)[N-]OCC(N)=O	ZINC000089465585	387173903	/nfs/dbraw/zinc/17/39/03/387173903.db2.gz	VAKPTCIQZSSAOT-UHFFFAOYSA-N	-1	1	216.237	-0.498	20	30		BBEDMM
N#Cc1ccc(C(=O)NCc2nn[n-]n2)nc1	ZINC000104219557	181100938	/nfs/dbraw/zinc/10/09/38/181100938.db2.gz	IEOPOXMWOKCMOR-UHFFFAOYSA-N	-1	1	229.203	-0.604	20	30		BBEDMM
N#Cc1ccc(CC(=O)NCc2nn[n-]n2)cc1	ZINC000110616648	369889308	/nfs/dbraw/zinc/88/93/08/369889308.db2.gz	JQEJUNYENBZLBV-UHFFFAOYSA-N	-1	1	242.242	-0.070	20	30		BBEDMM
CC1CC(C#N)(C(=O)NCc2nn[n-]n2)C1	ZINC000122375158	362997459	/nfs/dbraw/zinc/99/74/59/362997459.db2.gz	MMWWQEUCQBHNLL-UHFFFAOYSA-N	-1	1	220.236	-0.244	20	30		BBEDMM
N#CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000126542307	353600735	/nfs/dbraw/zinc/60/07/35/353600735.db2.gz	JZTZPAMMOBQOCX-UHFFFAOYSA-N	-1	1	222.160	-0.051	20	30		BBEDMM
COC(=O)c1coc(S(=O)(=O)[N-]CC#N)c1	ZINC000129333231	385140887	/nfs/dbraw/zinc/14/08/87/385140887.db2.gz	KUQANBFFQKDVTI-UHFFFAOYSA-N	-1	1	244.228	-0.132	20	30		BBEDMM
Cn1ncc2c1[n-]cc(C(=O)NCC#N)c2=O	ZINC000132639524	358731893	/nfs/dbraw/zinc/73/18/93/358731893.db2.gz	VQHUCIQJFWHOGM-UHFFFAOYSA-N	-1	1	231.215	-0.073	20	30		BBEDMM
CC[C@@](C)(C#N)C(=O)NCc1nn[n-]n1	ZINC000136229011	346174676	/nfs/dbraw/zinc/17/46/76/346174676.db2.gz	WAMIVRDWNVDYCZ-QMMMGPOBSA-N	-1	1	208.225	-0.244	20	30		BBEDMM
CC[C@](C)(C#N)C(=O)NCc1nn[n-]n1	ZINC000136229051	346174343	/nfs/dbraw/zinc/17/43/43/346174343.db2.gz	WAMIVRDWNVDYCZ-MRVPVSSYSA-N	-1	1	208.225	-0.244	20	30		BBEDMM
COC(=O)c1ccc(S(=O)(=O)[N-]CC#N)o1	ZINC000152427488	385182299	/nfs/dbraw/zinc/18/22/99/385182299.db2.gz	XWPMGSSMBFAKEV-UHFFFAOYSA-N	-1	1	244.228	-0.132	20	30		BBEDMM
C#CCNC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000159537769	323036018	/nfs/dbraw/zinc/03/60/18/323036018.db2.gz	DOEYSOBONXQVNO-UHFFFAOYSA-N	-1	1	242.256	-0.449	20	30		BBEDMM
C=CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000161166582	323037442	/nfs/dbraw/zinc/03/74/42/323037442.db2.gz	IHFXCLCZIKDNHB-UHFFFAOYSA-N	-1	1	235.243	-0.181	20	30		BBEDMM
C#CCCCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000163163152	605199451	/nfs/dbraw/zinc/19/94/51/605199451.db2.gz	TZONFYLIVDHBEK-VIFPVBQESA-N	-1	1	224.260	-0.325	20	30		BBEDMM
C#CCCCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000163163268	605199482	/nfs/dbraw/zinc/19/94/82/605199482.db2.gz	TZONFYLIVDHBEK-SECBINFHSA-N	-1	1	224.260	-0.325	20	30		BBEDMM
C#CCOC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000163674141	640400514	/nfs/dbraw/zinc/40/05/14/640400514.db2.gz	FVKMXQBOEMMHBZ-UHFFFAOYSA-N	-1	1	243.240	-0.022	20	30		BBEDMM
N#Cc1ccnc(NCc2nn[n-]n2)c1[N+](=O)[O-]	ZINC000167521171	346258643	/nfs/dbraw/zinc/25/86/43/346258643.db2.gz	BVAJRWYYNCLHGM-UHFFFAOYSA-N	-1	1	246.190	-0.013	20	30		BBEDMM
C=CCCCC(=O)NN1CC(=O)[N-]C1=O	ZINC000175128513	187390328	/nfs/dbraw/zinc/39/03/28/187390328.db2.gz	ZBYQSPOXSHLAIH-UHFFFAOYSA-N	-1	1	211.221	-0.074	20	30		BBEDMM
CCOC(=O)C[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000180414062	347026872	/nfs/dbraw/zinc/02/68/72/347026872.db2.gz	WODBOHUMWXHCNL-UHFFFAOYSA-N	-1	1	246.288	-0.227	20	30		BBEDMM
C=CCNC(=O)CNC(=O)c1cncc([O-])c1	ZINC000181926377	366854970	/nfs/dbraw/zinc/85/49/70/366854970.db2.gz	SUCWPONJEOOHFM-UHFFFAOYSA-N	-1	1	235.243	-0.181	20	30		BBEDMM
N#CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187191971	387172883	/nfs/dbraw/zinc/17/28/83/387172883.db2.gz	DIRZHWKEHNBPFA-UHFFFAOYSA-N	-1	1	222.160	-0.051	20	30		BBEDMM
N#Cc1ccc(C(=O)NCCO)cc1[O-]	ZINC000188209298	384839226	/nfs/dbraw/zinc/83/92/26/384839226.db2.gz	NHKLEBQGVNOSQY-UHFFFAOYSA-N	-1	1	206.201	-0.014	20	30		BBEDMM
N#Cc1ccc(C(=O)N2CCNC(=O)C2)cc1[O-]	ZINC000188220840	384842979	/nfs/dbraw/zinc/84/29/79/384842979.db2.gz	TUADRWPIGVOQGF-UHFFFAOYSA-N	-1	1	245.238	-0.164	20	30		BBEDMM
CNC(=O)CNC(=O)c1ccc(C#N)c([O-])c1	ZINC000188224747	384842231	/nfs/dbraw/zinc/84/22/31/384842231.db2.gz	PWXYMUOKDNOXFH-UHFFFAOYSA-N	-1	1	233.227	-0.260	20	30		BBEDMM
C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(N)=O	ZINC000188237753	384844413	/nfs/dbraw/zinc/84/44/13/384844413.db2.gz	FUSLWAWJJUKNQJ-LURJTMIESA-N	-1	1	233.227	-0.133	20	30		BBEDMM
C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(N)=O	ZINC000188237777	384845109	/nfs/dbraw/zinc/84/51/09/384845109.db2.gz	FUSLWAWJJUKNQJ-ZCFIWIBFSA-N	-1	1	233.227	-0.133	20	30		BBEDMM
N#Cc1ccc(C(=O)NCCC(N)=O)cc1[O-]	ZINC000188309659	384894140	/nfs/dbraw/zinc/89/41/40/384894140.db2.gz	TUWBJQHTXWECDL-UHFFFAOYSA-N	-1	1	233.227	-0.131	20	30		BBEDMM
C#CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000192654053	388681258	/nfs/dbraw/zinc/68/12/58/388681258.db2.gz	ZRUIPUUXBIBBIO-SNVBAGLBSA-N	-1	1	207.233	-0.706	20	30		BBEDMM
C#CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000192654066	388681457	/nfs/dbraw/zinc/68/14/57/388681457.db2.gz	ZRUIPUUXBIBBIO-JTQLQIEISA-N	-1	1	207.233	-0.706	20	30		BBEDMM
N#Cc1cnn(C(=O)c2cn[n-]n2)c1N	ZINC000195099825	644361161	/nfs/dbraw/zinc/36/11/61/644361161.db2.gz	CJBYHBALZRLNPZ-UHFFFAOYSA-N	-1	1	203.165	-0.856	20	30		BBEDMM
Cc1cc(C#N)nc(NCc2nn[n-]n2)n1	ZINC000231940001	351473482	/nfs/dbraw/zinc/47/34/82/351473482.db2.gz	OFJCYJMYBSNMRM-UHFFFAOYSA-N	-1	1	216.208	-0.218	20	30		BBEDMM
C=CCn1c(=O)[nH]nc1SCc1nn[n-]n1	ZINC000268300244	187235788	/nfs/dbraw/zinc/23/57/88/187235788.db2.gz	GTQLCVBZHQMCLP-UHFFFAOYSA-N	-1	1	239.264	-0.437	20	30		BBEDMM
C=C(C)[C@@H](CC(=O)[N-]OCC(N)=O)OCC	ZINC000271346895	192382335	/nfs/dbraw/zinc/38/23/35/192382335.db2.gz	DEUFCJAHQVGQES-MRVPVSSYSA-N	-1	1	230.264	-0.109	20	30		BBEDMM
C=C(C)[C@H](CC(=O)[N-]OCC(N)=O)OCC	ZINC000271346896	188445372	/nfs/dbraw/zinc/44/53/72/188445372.db2.gz	DEUFCJAHQVGQES-QMMMGPOBSA-N	-1	1	230.264	-0.109	20	30		BBEDMM
C=CCCS(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000273430868	166290287	/nfs/dbraw/zinc/29/02/87/166290287.db2.gz	FXBACOQZCSUUDL-SSDOTTSWSA-N	-1	1	237.277	-0.984	20	30		BBEDMM
C=CCCS(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000273430869	166290433	/nfs/dbraw/zinc/29/04/33/166290433.db2.gz	FXBACOQZCSUUDL-ZETCQYMHSA-N	-1	1	237.277	-0.984	20	30		BBEDMM
COC(=O)C[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000274223807	136284778	/nfs/dbraw/zinc/28/47/78/136284778.db2.gz	RZGNXJYTSMTSSZ-UHFFFAOYSA-N	-1	1	232.261	-0.617	20	30		BBEDMM
C=C(C)CS(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000275019669	387498759	/nfs/dbraw/zinc/49/87/59/387498759.db2.gz	ZQTZHFXHEXLMSX-SSDOTTSWSA-N	-1	1	237.277	-0.984	20	30		BBEDMM
C=C(C)CS(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000275019671	387501218	/nfs/dbraw/zinc/50/12/18/387501218.db2.gz	ZQTZHFXHEXLMSX-ZETCQYMHSA-N	-1	1	237.277	-0.984	20	30		BBEDMM
C[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000286477821	384995080	/nfs/dbraw/zinc/99/50/80/384995080.db2.gz	AICNUCHPEFCWHE-LURJTMIESA-N	-1	1	230.245	-0.190	20	30		BBEDMM
C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000286477822	384996043	/nfs/dbraw/zinc/99/60/43/384996043.db2.gz	AICNUCHPEFCWHE-ZCFIWIBFSA-N	-1	1	230.245	-0.190	20	30		BBEDMM
COC(=O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000286752171	384368045	/nfs/dbraw/zinc/36/80/45/384368045.db2.gz	UYBOAPAYKLCBOI-UHFFFAOYSA-N	-1	1	244.228	-0.397	20	30		BBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCO)o1	ZINC000287090523	181129410	/nfs/dbraw/zinc/12/94/10/181129410.db2.gz	YOLGOHSDHBAWBS-UHFFFAOYSA-N	-1	1	216.218	-0.578	20	30		BBEDMM
C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288279676	175756744	/nfs/dbraw/zinc/75/67/44/175756744.db2.gz	UYMMITMTGHUDLP-LURJTMIESA-N	-1	1	230.245	-0.190	20	30		BBEDMM
C[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288279689	176705985	/nfs/dbraw/zinc/70/59/85/176705985.db2.gz	UYMMITMTGHUDLP-ZCFIWIBFSA-N	-1	1	230.245	-0.190	20	30		BBEDMM
C#CC[N@@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000288793737	353607238	/nfs/dbraw/zinc/60/72/38/353607238.db2.gz	CMJDUCUDWOFSEQ-MRVPVSSYSA-N	-1	1	206.249	-0.089	20	30		BBEDMM
C#CC[N@@H+]1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000288793738	353607343	/nfs/dbraw/zinc/60/73/43/353607343.db2.gz	CMJDUCUDWOFSEQ-QMMMGPOBSA-N	-1	1	206.249	-0.089	20	30		BBEDMM
N#CCN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000289352530	133568972	/nfs/dbraw/zinc/56/89/72/133568972.db2.gz	GJQXKAFAIZSZKH-SSDOTTSWSA-N	-1	1	207.237	-0.199	20	30		BBEDMM
N#CCN1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000289352532	352181453	/nfs/dbraw/zinc/18/14/53/352181453.db2.gz	GJQXKAFAIZSZKH-ZETCQYMHSA-N	-1	1	207.237	-0.199	20	30		BBEDMM
C#C[C@@H](C)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000289861881	353640555	/nfs/dbraw/zinc/64/05/55/353640555.db2.gz	NDUJHIAFAPEJBB-RXMQYKEDSA-N	-1	1	229.261	-0.135	20	30		BBEDMM
C#C[C@H](C)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000289861887	346397877	/nfs/dbraw/zinc/39/78/77/346397877.db2.gz	NDUJHIAFAPEJBB-YFKPBYRVSA-N	-1	1	229.261	-0.135	20	30		BBEDMM
C=C[C@@H](CO)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000290110467	360048719	/nfs/dbraw/zinc/04/87/19/360048719.db2.gz	FXUANAGGTQIUSH-LURJTMIESA-N	-1	1	247.276	-0.610	20	30		BBEDMM
C=C[C@H](CO)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000290110471	360048273	/nfs/dbraw/zinc/04/82/73/360048273.db2.gz	FXUANAGGTQIUSH-ZCFIWIBFSA-N	-1	1	247.276	-0.610	20	30		BBEDMM
C#CCC[N-]S(=O)(=O)c1c(C)onc1N	ZINC000290717471	135375011	/nfs/dbraw/zinc/37/50/11/135375011.db2.gz	JZNXOSYLQXVPPT-UHFFFAOYSA-N	-1	1	229.261	-0.133	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(CCOC)C1	ZINC000291171676	353681069	/nfs/dbraw/zinc/68/10/69/353681069.db2.gz	DSIGPHQDPVOZRH-SECBINFHSA-N	-1	1	240.259	-0.838	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(CCOC)C1	ZINC000291171677	353680498	/nfs/dbraw/zinc/68/04/98/353680498.db2.gz	DSIGPHQDPVOZRH-VIFPVBQESA-N	-1	1	240.259	-0.838	20	30		BBEDMM
C=CCN(CCC#N)Cc1nc(=O)[n-][nH]1	ZINC000292244441	352310175	/nfs/dbraw/zinc/31/01/75/352310175.db2.gz	QKEBLTRBUKLFGN-UHFFFAOYSA-N	-1	1	207.237	0.000	20	30		BBEDMM
N#Cc1ccc(NCCCc2nc(=O)[n-][nH]2)nn1	ZINC000301879421	181121557	/nfs/dbraw/zinc/12/15/57/181121557.db2.gz	OYOYRFVCJZZVKE-UHFFFAOYSA-N	-1	1	245.246	-0.196	20	30		BBEDMM
Cc1onc(N)c1S(=O)(=O)[N-]CCC#N	ZINC000308817653	633821893	/nfs/dbraw/zinc/82/18/93/633821893.db2.gz	FPTUTKIALPPAKP-UHFFFAOYSA-N	-1	1	230.249	-0.243	20	30		BBEDMM
O=C(NCc1nnnn1CC1CC1)c1cnn[nH]1	ZINC000329976169	356154205	/nfs/dbraw/zinc/15/42/05/356154205.db2.gz	YLJXRIFCMAEZSO-UHFFFAOYSA-N	-1	1	248.250	-0.294	20	30		BBEDMM
CN(C)c1nc(C(=O)N(C)CC#N)cc(=O)[n-]1	ZINC000330923741	353206662	/nfs/dbraw/zinc/20/66/62/353206662.db2.gz	SNXVGMQBAZXPEG-UHFFFAOYSA-N	-1	1	235.247	-0.156	20	30		BBEDMM
N#CCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC000332044858	134003604	/nfs/dbraw/zinc/00/36/04/134003604.db2.gz	YSPPZWCDMNJKGF-UHFFFAOYSA-N	-1	1	233.227	-0.112	20	30		BBEDMM
N#CCC1(O)CN(C(=O)c2cncc([O-])c2)C1	ZINC000332050639	134003758	/nfs/dbraw/zinc/00/37/58/134003758.db2.gz	ZSGIKLGYJXYIQW-UHFFFAOYSA-N	-1	1	233.227	-0.112	20	30		BBEDMM
C=CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000334165903	135323547	/nfs/dbraw/zinc/32/35/47/135323547.db2.gz	AMLDOMZZNXBZCF-MRVPVSSYSA-N	-1	1	209.249	-0.202	20	30		BBEDMM
C=CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000334165931	135323688	/nfs/dbraw/zinc/32/36/88/135323688.db2.gz	AMLDOMZZNXBZCF-QMMMGPOBSA-N	-1	1	209.249	-0.202	20	30		BBEDMM
CCNC(=O)c1ccc(=NCCC#N)[n-]n1	ZINC000336775924	635287691	/nfs/dbraw/zinc/28/76/91/635287691.db2.gz	DDBARJAFVDXASI-UHFFFAOYSA-N	-1	1	219.248	-0.026	20	30		BBEDMM
N#CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000337898948	135024593	/nfs/dbraw/zinc/02/45/93/135024593.db2.gz	HAAPKEMKTJFZKR-UHFFFAOYSA-N	-1	1	234.215	-0.843	20	30		BBEDMM
C[C@H](C#N)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC000337938329	398146939	/nfs/dbraw/zinc/14/69/39/398146939.db2.gz	GOQIQIGXHPCTDL-SSDOTTSWSA-N	-1	1	248.242	-0.455	20	30		BBEDMM
C[C@@H](C#N)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC000337938331	398147228	/nfs/dbraw/zinc/14/72/28/398147228.db2.gz	GOQIQIGXHPCTDL-ZETCQYMHSA-N	-1	1	248.242	-0.455	20	30		BBEDMM
CN(CC#N)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000337946410	136279219	/nfs/dbraw/zinc/27/92/19/136279219.db2.gz	CCIURCVEOCNLQB-UHFFFAOYSA-N	-1	1	248.242	-0.501	20	30		BBEDMM
COC(=O)CN(CC#N)C(=O)c1cncc([O-])c1	ZINC000339953053	135090223	/nfs/dbraw/zinc/09/02/23/135090223.db2.gz	NDQLNTCFDRHKDP-UHFFFAOYSA-N	-1	1	249.226	-0.074	20	30		BBEDMM
N#Cc1ccc(C(=O)Nc2nn[n-]n2)o1	ZINC000340467681	181101550	/nfs/dbraw/zinc/10/15/50/181101550.db2.gz	SNESRSGSDJVYRB-UHFFFAOYSA-N	-1	1	204.149	-0.083	20	30		BBEDMM
N#CC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000342492686	135282911	/nfs/dbraw/zinc/28/29/11/135282911.db2.gz	PWKJHVCRUBQCMK-UHFFFAOYSA-N	-1	1	211.202	-0.047	20	30		BBEDMM
N#Cc1ccc(C(=O)Nc2nn[n-]n2)[nH]1	ZINC000343127966	135358986	/nfs/dbraw/zinc/35/89/86/135358986.db2.gz	NRMUUBSXAIFPQL-UHFFFAOYSA-N	-1	1	203.165	-0.348	20	30		BBEDMM
Cc1cnc(C(=O)NCC(=O)NCC#N)c([O-])c1	ZINC000343513766	353925032	/nfs/dbraw/zinc/92/50/32/353925032.db2.gz	BZIVBGKRFDSHSQ-UHFFFAOYSA-N	-1	1	248.242	-0.535	20	30		BBEDMM
N#CCNC(=O)CNC(=O)c1cncc([O-])c1	ZINC000344173234	354172235	/nfs/dbraw/zinc/17/22/35/354172235.db2.gz	YNRUKBWOHLZVAP-UHFFFAOYSA-N	-1	1	234.215	-0.843	20	30		BBEDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(N)=O	ZINC000344235238	343380856	/nfs/dbraw/zinc/38/08/56/343380856.db2.gz	RKEFAVHECULAQN-RXMQYKEDSA-N	-1	1	243.244	-0.697	20	30		BBEDMM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(N)=O	ZINC000344235239	135754276	/nfs/dbraw/zinc/75/42/76/135754276.db2.gz	RKEFAVHECULAQN-YFKPBYRVSA-N	-1	1	243.244	-0.697	20	30		BBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCC(N)=O)o1	ZINC000344308391	343395233	/nfs/dbraw/zinc/39/52/33/343395233.db2.gz	YDXOBHPSAMMNCG-UHFFFAOYSA-N	-1	1	243.244	-0.695	20	30		BBEDMM
CC#CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000345312850	386100133	/nfs/dbraw/zinc/10/01/33/386100133.db2.gz	MAEAQXQMDVXENK-UHFFFAOYSA-N	-1	1	247.254	-0.344	20	30		BBEDMM
CCCN(CC#N)Cc1nc(=O)n(C)[n-]1	ZINC000347496474	386421293	/nfs/dbraw/zinc/42/12/93/386421293.db2.gz	ZJQMOVVFMKFXQE-UHFFFAOYSA-N	-1	1	209.253	-0.156	20	30		BBEDMM
N#Cc1c[nH]c(C(=O)NC2(c3nn[n-]n3)CC2)c1	ZINC000348293515	136062798	/nfs/dbraw/zinc/06/27/98/136062798.db2.gz	NQWGJQZCAIFDMF-UHFFFAOYSA-N	-1	1	243.230	-0.181	20	30		BBEDMM
C=C[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000349813524	355467925	/nfs/dbraw/zinc/46/79/25/355467925.db2.gz	QZYKYBVZIOBXQZ-SSDOTTSWSA-N	-1	1	242.256	-0.024	20	30		BBEDMM
C=C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000349813525	355467764	/nfs/dbraw/zinc/46/77/64/355467764.db2.gz	QZYKYBVZIOBXQZ-ZETCQYMHSA-N	-1	1	242.256	-0.024	20	30		BBEDMM
N#Cc1ccnc(C(=O)Nc2nn[n-]n2)c1	ZINC000351677213	412277769	/nfs/dbraw/zinc/27/77/69/412277769.db2.gz	VGHMNNDAANGLBF-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
C=CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC000352128034	134075564	/nfs/dbraw/zinc/07/55/64/134075564.db2.gz	AEFWFPQORAEAKM-UHFFFAOYSA-N	-1	1	225.204	-0.188	20	30		BBEDMM
C=CCOCC(=O)NC(C)(C)c1nn[n-]n1	ZINC000354792226	134169799	/nfs/dbraw/zinc/16/97/99/134169799.db2.gz	WLAUCUGUVFTPKG-UHFFFAOYSA-N	-1	1	225.252	-0.246	20	30		BBEDMM
C=C[C@@](C)(O)CC(=O)NC1(c2nn[n-]n2)CC1	ZINC000356030244	534625559	/nfs/dbraw/zinc/62/55/59/534625559.db2.gz	ABQCFFJJULIKBJ-SECBINFHSA-N	-1	1	237.263	-0.368	20	30		BBEDMM
C=C[C@](C)(O)CC(=O)NC1(c2nn[n-]n2)CC1	ZINC000356030246	134176677	/nfs/dbraw/zinc/17/66/77/134176677.db2.gz	ABQCFFJJULIKBJ-VIFPVBQESA-N	-1	1	237.263	-0.368	20	30		BBEDMM
N#Cc1cc(C(=O)Nc2nn[n-]n2)ccn1	ZINC000356122223	181085236	/nfs/dbraw/zinc/08/52/36/181085236.db2.gz	YYASZKXSYRREOJ-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
N#Cc1cc(C(=O)Nc2nnn[n-]2)ccn1	ZINC000356122223	181085233	/nfs/dbraw/zinc/08/52/33/181085233.db2.gz	YYASZKXSYRREOJ-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
N#Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)c[nH]1	ZINC000357052029	181083161	/nfs/dbraw/zinc/08/31/61/181083161.db2.gz	QMRWKKUOHYBMDI-UHFFFAOYSA-N	-1	1	243.230	-0.181	20	30		BBEDMM
C=CCOCC(=O)NC1(c2nn[n-]n2)CC1	ZINC000357061202	134181979	/nfs/dbraw/zinc/18/19/79/134181979.db2.gz	WOJLPLAXFXYNGP-UHFFFAOYSA-N	-1	1	223.236	-0.492	20	30		BBEDMM
N#CC1(C(=O)NC2(c3nn[n-]n3)CC2)CCC1	ZINC000357066950	134181852	/nfs/dbraw/zinc/18/18/52/134181852.db2.gz	IHWZELYRNIJLGV-UHFFFAOYSA-N	-1	1	232.247	-0.001	20	30		BBEDMM
N#Cc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)[nH]1	ZINC000357083987	181098872	/nfs/dbraw/zinc/09/88/72/181098872.db2.gz	ZYXGLYKQDMFFSC-UHFFFAOYSA-N	-1	1	243.230	-0.181	20	30		BBEDMM
C=CCOCC(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000357991469	134186393	/nfs/dbraw/zinc/18/63/93/134186393.db2.gz	NNMUXDHANANTNI-MRVPVSSYSA-N	-1	1	239.279	-0.036	20	30		BBEDMM
C=CCOCC(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000357991470	134186353	/nfs/dbraw/zinc/18/63/53/134186353.db2.gz	NNMUXDHANANTNI-QMMMGPOBSA-N	-1	1	239.279	-0.036	20	30		BBEDMM
C=CC[C@@H](CO)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000358496319	134188759	/nfs/dbraw/zinc/18/87/59/134188759.db2.gz	FJHDCPKVDMAAHG-LURJTMIESA-N	-1	1	235.247	-0.219	20	30		BBEDMM
C=CC[C@H](CO)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000358496338	534403392	/nfs/dbraw/zinc/40/33/92/534403392.db2.gz	FJHDCPKVDMAAHG-ZCFIWIBFSA-N	-1	1	235.247	-0.219	20	30		BBEDMM
N#Cc1c[nH]c(C(=O)Nc2nn[n-]n2)c1	ZINC000359053121	387315939	/nfs/dbraw/zinc/31/59/39/387315939.db2.gz	ZWUMWOAWIMUQAG-UHFFFAOYSA-N	-1	1	203.165	-0.348	20	30		BBEDMM
N#Cc1ccc(C(=O)Nc2nn[n-]n2)cn1	ZINC000360392267	181101608	/nfs/dbraw/zinc/10/16/08/181101608.db2.gz	GNBRJGZNAOBFGP-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
N#Cc1ccc(C(=O)Nc2nnn[n-]2)cn1	ZINC000360392267	181101606	/nfs/dbraw/zinc/10/16/06/181101606.db2.gz	GNBRJGZNAOBFGP-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
C=CCOC[C@@H]([N-]S(C)(=O)=O)C(=O)OC	ZINC000360589984	134201172	/nfs/dbraw/zinc/20/11/72/134201172.db2.gz	YZGJHPQNRBLGGF-SSDOTTSWSA-N	-1	1	237.277	-0.720	20	30		BBEDMM
C=CCOC[C@H]([N-]S(C)(=O)=O)C(=O)OC	ZINC000360589991	534880782	/nfs/dbraw/zinc/88/07/82/534880782.db2.gz	YZGJHPQNRBLGGF-ZETCQYMHSA-N	-1	1	237.277	-0.720	20	30		BBEDMM
C=CCN(CCOC)Cc1nc(=O)n(C)[n-]1	ZINC000362050391	166342417	/nfs/dbraw/zinc/34/24/17/166342417.db2.gz	PBMDGZPIPYXCKS-UHFFFAOYSA-N	-1	1	226.280	-0.257	20	30		BBEDMM
C=CCCN1CCN(C(=O)C(=O)[O-])CC1	ZINC000380104337	365880434	/nfs/dbraw/zinc/88/04/34/365880434.db2.gz	MTKMAJOISGDJTQ-UHFFFAOYSA-N	-1	1	212.249	-0.209	20	30		BBEDMM
C#CC(=O)N1CCN(c2nc(=N)[n-]s2)CC1	ZINC000381525367	710652077	/nfs/dbraw/zinc/65/20/77/710652077.db2.gz	WIKUUHVFOUDVCK-UHFFFAOYSA-N	-1	1	237.288	-0.768	20	30		BBEDMM
C#CCC[C@@H](O)CN=c1[n-]c(C(N)=O)cs1	ZINC000390785437	711135012	/nfs/dbraw/zinc/13/50/12/711135012.db2.gz	OKQCBJNCFQREGE-SSDOTTSWSA-N	-1	1	239.300	-0.150	20	30		BBEDMM
C#CCC[C@H](O)CN=c1[n-]c(C(N)=O)cs1	ZINC000390785438	711134514	/nfs/dbraw/zinc/13/45/14/711134514.db2.gz	OKQCBJNCFQREGE-ZETCQYMHSA-N	-1	1	239.300	-0.150	20	30		BBEDMM
N#CCC(=O)NC1(c2nn[n-]n2)CCCC1	ZINC000408323460	344505946	/nfs/dbraw/zinc/50/59/46/344505946.db2.gz	YVVRIGYREBMWNE-UHFFFAOYSA-N	-1	1	220.236	-0.001	20	30		BBEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)o1	ZINC000425203659	192083219	/nfs/dbraw/zinc/08/32/19/192083219.db2.gz	FSWIEGLKFLAXBH-HTQZYQBOSA-N	-1	1	242.256	-0.047	20	30		BBEDMM
COC(=O)CN(CC#N)C(=O)c1ncccc1[O-]	ZINC000427474556	191077022	/nfs/dbraw/zinc/07/70/22/191077022.db2.gz	TWNUSSNRKVIOIF-UHFFFAOYSA-N	-1	1	249.226	-0.074	20	30		BBEDMM
Cn1cc(C#N)cc1C(=O)Nc1nn[n-]n1	ZINC000434255845	201212187	/nfs/dbraw/zinc/21/21/87/201212187.db2.gz	WWGHRJSWRXDKKM-UHFFFAOYSA-N	-1	1	217.192	-0.338	20	30		BBEDMM
CN(CC(N)=O)C(=O)c1ccc(C#N)c([O-])c1	ZINC000442628451	388358131	/nfs/dbraw/zinc/35/81/31/388358131.db2.gz	NVNQDGAZMSOYAF-UHFFFAOYSA-N	-1	1	233.227	-0.179	20	30		BBEDMM
N#Cc1ccc(C(=O)NCC(N)=O)cc1[O-]	ZINC000442632466	388358251	/nfs/dbraw/zinc/35/82/51/388358251.db2.gz	CVAQXPGWDGPJOQ-UHFFFAOYSA-N	-1	1	219.200	-0.521	20	30		BBEDMM
N#Cc1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1[O-]	ZINC000442673858	388360099	/nfs/dbraw/zinc/36/00/99/388360099.db2.gz	WEDIAMFKUJQSMI-SECBINFHSA-N	-1	1	245.238	-0.118	20	30		BBEDMM
N#Cc1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1[O-]	ZINC000442673859	388360140	/nfs/dbraw/zinc/36/01/40/388360140.db2.gz	WEDIAMFKUJQSMI-VIFPVBQESA-N	-1	1	245.238	-0.118	20	30		BBEDMM
C=CCn1nnnc1SCc1nn[n-]n1	ZINC000490444702	388238503	/nfs/dbraw/zinc/23/85/03/388238503.db2.gz	XNQKSNMWDQGRPC-UHFFFAOYSA-N	-1	1	224.253	-0.336	20	30		BBEDMM
C#CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000490628735	388243515	/nfs/dbraw/zinc/24/35/15/388243515.db2.gz	IPOZZKSJLBNWHX-UHFFFAOYSA-N	-1	1	243.240	-0.022	20	30		BBEDMM
C#CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000490702053	527060014	/nfs/dbraw/zinc/06/00/14/527060014.db2.gz	YZIGEMKUZATBSK-UHFFFAOYSA-N	-1	1	241.228	-0.099	20	30		BBEDMM
C#CC[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000490871588	388257562	/nfs/dbraw/zinc/25/75/62/388257562.db2.gz	BKQAFENWKUFIBK-UHFFFAOYSA-N	-1	1	243.240	-0.022	20	30		BBEDMM
C#CCN(CC#C)Cc1nc(=O)n(C)[n-]1	ZINC000490950967	388261977	/nfs/dbraw/zinc/26/19/77/388261977.db2.gz	VKZCAYSXHPZPIZ-UHFFFAOYSA-N	-1	1	204.233	-0.823	20	30		BBEDMM
C#CCN(CC#CC)Cc1nc(=O)n(C)[n-]1	ZINC000490951581	388261656	/nfs/dbraw/zinc/26/16/56/388261656.db2.gz	ZCPBOYLMNQFLLM-UHFFFAOYSA-N	-1	1	218.260	-0.433	20	30		BBEDMM
C#CC(C)(C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC000491073459	388268953	/nfs/dbraw/zinc/26/89/53/388268953.db2.gz	ZMIQZZDDOFWTGG-UHFFFAOYSA-N	-1	1	208.265	-0.048	20	30		BBEDMM
C#CCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC000491568141	388304294	/nfs/dbraw/zinc/30/42/94/388304294.db2.gz	PALYGHROAYHWJN-UHFFFAOYSA-N	-1	1	206.249	-0.294	20	30		BBEDMM
C#CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC000491817471	388323652	/nfs/dbraw/zinc/32/36/52/388323652.db2.gz	ISWJFRIHYVIYJX-UHFFFAOYSA-N	-1	1	223.188	-0.741	20	30		BBEDMM
N#Cc1ccc(C(=O)NC(CO)CO)cc1[O-]	ZINC000527486252	388699707	/nfs/dbraw/zinc/69/97/07/388699707.db2.gz	HSRBYJHYJJGVSL-UHFFFAOYSA-N	-1	1	236.227	-0.653	20	30		BBEDMM
O=C(NCC#CCO)c1ncccc1[O-]	ZINC000555524129	388851873	/nfs/dbraw/zinc/85/18/73/388851873.db2.gz	ASAGYAVGPSVAQB-UHFFFAOYSA-N	-1	1	206.201	-0.487	20	30		BBEDMM
N#Cc1c[nH]c(=O)n(CCCC(=O)[O-])c1=O	ZINC000563148407	323095499	/nfs/dbraw/zinc/09/54/99/323095499.db2.gz	SWERPYBPECCDCS-UHFFFAOYSA-N	-1	1	223.188	-0.727	20	30		BBEDMM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)[C@H](C)C#N	ZINC000565305149	388936386	/nfs/dbraw/zinc/93/63/86/388936386.db2.gz	RRRYAVPSXXZQMV-BWZBUEFSSA-N	-1	1	234.277	-0.768	20	30		BBEDMM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC000565305150	325891614	/nfs/dbraw/zinc/89/16/14/325891614.db2.gz	RRRYAVPSXXZQMV-XLPZGREQSA-N	-1	1	234.277	-0.768	20	30		BBEDMM
COC(=O)C[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000568140845	326312122	/nfs/dbraw/zinc/31/21/22/326312122.db2.gz	ZOQYOKSLQDOOSA-UHFFFAOYSA-N	-1	1	246.288	-0.227	20	30		BBEDMM
Cn1[n-]c(CN2CC(C)(C#N)C2)nc1=O	ZINC000570104594	323050069	/nfs/dbraw/zinc/05/00/69/323050069.db2.gz	MUEBUAJDRRDXEL-UHFFFAOYSA-N	-1	1	207.237	-0.546	20	30		BBEDMM
C=CCCn1cc(C(=O)Nc2nn[n-]n2)nn1	ZINC000571551744	323147721	/nfs/dbraw/zinc/14/77/21/323147721.db2.gz	IKEFOHBRBYPWFP-UHFFFAOYSA-N	-1	1	234.223	-0.380	20	30		BBEDMM
C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(N)=O	ZINC000589158587	346670203	/nfs/dbraw/zinc/67/02/03/346670203.db2.gz	RILZOVAITNBJJK-LURJTMIESA-N	-1	1	233.227	-0.133	20	30		BBEDMM
C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(N)=O	ZINC000589158588	346669970	/nfs/dbraw/zinc/66/99/70/346669970.db2.gz	RILZOVAITNBJJK-ZCFIWIBFSA-N	-1	1	233.227	-0.133	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N2CCNC(=O)C2)c1	ZINC000589159886	346669935	/nfs/dbraw/zinc/66/99/35/346669935.db2.gz	VNIHFVDORJFICX-UHFFFAOYSA-N	-1	1	245.238	-0.164	20	30		BBEDMM
CN(CC(N)=O)C(=O)c1cc([O-])cc(C#N)c1	ZINC000589169747	346671444	/nfs/dbraw/zinc/67/14/44/346671444.db2.gz	QSKLFYYTFZDLDI-UHFFFAOYSA-N	-1	1	233.227	-0.179	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N[C@H]2CNC(=O)C2)c1	ZINC000589198166	346675265	/nfs/dbraw/zinc/67/52/65/346675265.db2.gz	MBTWVRVUUMNEHU-SECBINFHSA-N	-1	1	245.238	-0.118	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N[C@@H]2CNC(=O)C2)c1	ZINC000589198167	346675321	/nfs/dbraw/zinc/67/53/21/346675321.db2.gz	MBTWVRVUUMNEHU-VIFPVBQESA-N	-1	1	245.238	-0.118	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NC(CO)CO)c1	ZINC000589205943	346675994	/nfs/dbraw/zinc/67/59/94/346675994.db2.gz	XVYGXQQWEWMAIT-UHFFFAOYSA-N	-1	1	236.227	-0.653	20	30		BBEDMM
N#Cc1cccc(C(=O)Nc2nn[n-]n2)n1	ZINC000589317759	346690922	/nfs/dbraw/zinc/69/09/22/346690922.db2.gz	CBUDEOKYZCDJEF-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
N#Cc1cccc(C(=O)NCc2nn[n-]n2)n1	ZINC000589837334	346742449	/nfs/dbraw/zinc/74/24/49/346742449.db2.gz	XJLHUOKQPZKZSH-UHFFFAOYSA-N	-1	1	229.203	-0.604	20	30		BBEDMM
Cc1cc(C#N)cnc1C(=O)NCc1nn[n-]n1	ZINC000590240078	346871595	/nfs/dbraw/zinc/87/15/95/346871595.db2.gz	PVNSKDPIENEAAV-UHFFFAOYSA-N	-1	1	243.230	-0.295	20	30		BBEDMM
N#Cc1ccc(S(=O)(=O)[N-]C2(CO)CC2)o1	ZINC000595317819	348224975	/nfs/dbraw/zinc/22/49/75/348224975.db2.gz	FJTKHJBPMJPGOO-UHFFFAOYSA-N	-1	1	242.256	-0.046	20	30		BBEDMM
C[C@H](C#N)N(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC000595709084	348320092	/nfs/dbraw/zinc/32/00/92/348320092.db2.gz	CQLVRZGYFBPCNO-SSDOTTSWSA-N	-1	1	221.264	-0.015	20	30		BBEDMM
C[C@@H](C#N)N(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC000595709085	348320251	/nfs/dbraw/zinc/32/02/51/348320251.db2.gz	CQLVRZGYFBPCNO-ZETCQYMHSA-N	-1	1	221.264	-0.015	20	30		BBEDMM
N#Cc1ccc(C(=O)N2CC(O)(CO)C2)cc1[O-]	ZINC000597701807	348784792	/nfs/dbraw/zinc/78/47/92/348784792.db2.gz	BKRZGAPGLIOACY-UHFFFAOYSA-N	-1	1	248.238	-0.557	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N2CC(O)(CO)C2)c1	ZINC000597702745	348785761	/nfs/dbraw/zinc/78/57/61/348785761.db2.gz	MPHJMSCAKBWSGH-UHFFFAOYSA-N	-1	1	248.238	-0.557	20	30		BBEDMM
Cc1cnc(C(=O)N[C@H](C#N)CO)c([O-])c1	ZINC000597743313	348809006	/nfs/dbraw/zinc/80/90/06/348809006.db2.gz	ZAJMXIKXPRYQLT-SSDOTTSWSA-N	-1	1	221.216	-0.290	20	30		BBEDMM
Cc1cnc(C(=O)N[C@@H](C#N)CO)c([O-])c1	ZINC000597743314	348809180	/nfs/dbraw/zinc/80/91/80/348809180.db2.gz	ZAJMXIKXPRYQLT-ZETCQYMHSA-N	-1	1	221.216	-0.290	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N[C@H]2CCNC2=O)c1	ZINC000597857457	348828019	/nfs/dbraw/zinc/82/80/19/348828019.db2.gz	UISUEMDVKKOJOA-JTQLQIEISA-N	-1	1	245.238	-0.118	20	30		BBEDMM
N#Cc1ccc(C(=O)N[C@H]2CCNC2=O)cc1[O-]	ZINC000597857899	348828502	/nfs/dbraw/zinc/82/85/02/348828502.db2.gz	VMASLPXEAXMBOJ-VIFPVBQESA-N	-1	1	245.238	-0.118	20	30		BBEDMM
C=CCCO[C@H](C)C(=O)NCc1nn[n-]n1	ZINC000599377343	349162671	/nfs/dbraw/zinc/16/26/71/349162671.db2.gz	PEXVOUQDPHHKDM-SSDOTTSWSA-N	-1	1	225.252	-0.203	20	30		BBEDMM
C=CCCO[C@@H](C)C(=O)NCc1nn[n-]n1	ZINC000599377353	349162646	/nfs/dbraw/zinc/16/26/46/349162646.db2.gz	PEXVOUQDPHHKDM-ZETCQYMHSA-N	-1	1	225.252	-0.203	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)N2C[C@H](O)[C@@H](O)C2)c1	ZINC000600216920	369514572	/nfs/dbraw/zinc/51/45/72/369514572.db2.gz	IDWBEJGKJHBBEU-QWRGUYRKSA-N	-1	1	248.238	-0.559	20	30		BBEDMM
N#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](O)C2)cc1[O-]	ZINC000600217451	369514988	/nfs/dbraw/zinc/51/49/88/369514988.db2.gz	ZMRMLPUXBZHGNA-QWRGUYRKSA-N	-1	1	248.238	-0.559	20	30		BBEDMM
C=CCCOCC(=O)NCc1nn[n-]n1	ZINC000600496346	344246094	/nfs/dbraw/zinc/24/60/94/344246094.db2.gz	DRFQRSKTQSYJKM-UHFFFAOYSA-N	-1	1	211.225	-0.591	20	30		BBEDMM
CCN(CCC#N)C(=O)CCc1nn[n-]n1	ZINC000601010243	345997840	/nfs/dbraw/zinc/99/78/40/345997840.db2.gz	ZFYVKRZPFJNQOQ-UHFFFAOYSA-N	-1	1	222.252	-0.106	20	30		BBEDMM
CC1(C#N)CN(C(=O)CCc2nn[n-]n2)C1	ZINC000601542408	349299227	/nfs/dbraw/zinc/29/92/27/349299227.db2.gz	MTQIFVBJDRELKS-UHFFFAOYSA-N	-1	1	220.236	-0.496	20	30		BBEDMM
CCN(C(=O)CCc1nn[n-]n1)[C@H](C)C#N	ZINC000601668478	349322339	/nfs/dbraw/zinc/32/23/39/349322339.db2.gz	AOKBEFORDVNWGE-SSDOTTSWSA-N	-1	1	222.252	-0.107	20	30		BBEDMM
CCN(C(=O)CCc1nn[n-]n1)[C@@H](C)C#N	ZINC000601668479	349322273	/nfs/dbraw/zinc/32/22/73/349322273.db2.gz	AOKBEFORDVNWGE-ZETCQYMHSA-N	-1	1	222.252	-0.107	20	30		BBEDMM
CCN(CC#N)C(=O)CCCc1nn[n-]n1	ZINC000602080232	349430274	/nfs/dbraw/zinc/43/02/74/349430274.db2.gz	MBDMWNAZHNQTBL-UHFFFAOYSA-N	-1	1	222.252	-0.106	20	30		BBEDMM
CC1(C#N)CN(C(=O)CCCc2nn[n-]n2)C1	ZINC000602141371	349450932	/nfs/dbraw/zinc/45/09/32/349450932.db2.gz	IGWJCKXOLFTQFD-UHFFFAOYSA-N	-1	1	234.263	-0.106	20	30		BBEDMM
N#CC1CN(C(=O)CCCc2nn[n-]n2)C1	ZINC000602156924	349464471	/nfs/dbraw/zinc/46/44/71/349464471.db2.gz	ALEHXQRBIXTMOF-UHFFFAOYSA-N	-1	1	220.236	-0.496	20	30		BBEDMM
C=CCOCCCC(=O)NCc1nn[n-]n1	ZINC000608132582	353285402	/nfs/dbraw/zinc/28/54/02/353285402.db2.gz	HCPJQPHVHZRICG-UHFFFAOYSA-N	-1	1	225.252	-0.201	20	30		BBEDMM
N#Cc1ccc(C(=O)Nc2nn[n-]n2)nc1	ZINC000609354478	343421686	/nfs/dbraw/zinc/42/16/86/343421686.db2.gz	ORGVNCXOXZHDSJ-UHFFFAOYSA-N	-1	1	215.176	-0.281	20	30		BBEDMM
N#Cc1c[nH]c(C(=O)NCc2nn[n-]n2)c1	ZINC000610497837	357956554	/nfs/dbraw/zinc/95/65/54/357956554.db2.gz	YQGNVNURYGJSGE-UHFFFAOYSA-N	-1	1	217.192	-0.671	20	30		BBEDMM
N#Cc1cccc(CC(=O)NCc2nn[n-]n2)c1	ZINC000610521719	357969373	/nfs/dbraw/zinc/96/93/73/357969373.db2.gz	IVZXSLQAQYUGMN-UHFFFAOYSA-N	-1	1	242.242	-0.070	20	30		BBEDMM
N#Cc1ccc(C(=O)NCc2nn[n-]n2)[nH]1	ZINC000611031196	358459688	/nfs/dbraw/zinc/45/96/88/358459688.db2.gz	HLIDRWVODLKMTM-UHFFFAOYSA-N	-1	1	217.192	-0.671	20	30		BBEDMM
N#Cc1cc(C(=O)NCc2nn[n-]n2)c[nH]1	ZINC000611472117	359376500	/nfs/dbraw/zinc/37/65/00/359376500.db2.gz	LBNIQDXQAVPFHU-UHFFFAOYSA-N	-1	1	217.192	-0.671	20	30		BBEDMM
C=C[C@H](O)C(=O)N[C@@H](CCC)c1nn[n-]n1	ZINC000612059809	359628347	/nfs/dbraw/zinc/62/83/47/359628347.db2.gz	FCGHSDLQVGXBSG-BQBZGAKWSA-N	-1	1	225.252	-0.296	20	30		BBEDMM
C=C[C@@H](O)C(=O)N[C@@H](CCC)c1nn[n-]n1	ZINC000612059810	359628744	/nfs/dbraw/zinc/62/87/44/359628744.db2.gz	FCGHSDLQVGXBSG-NKWVEPMBSA-N	-1	1	225.252	-0.296	20	30		BBEDMM
C=C[C@@H](O)C(=O)N[C@H](CCC)c1nn[n-]n1	ZINC000612059811	359628137	/nfs/dbraw/zinc/62/81/37/359628137.db2.gz	FCGHSDLQVGXBSG-RNFRBKRXSA-N	-1	1	225.252	-0.296	20	30		BBEDMM
C=C[C@H](O)C(=O)N[C@H](CCC)c1nn[n-]n1	ZINC000612059812	359628302	/nfs/dbraw/zinc/62/83/02/359628302.db2.gz	FCGHSDLQVGXBSG-RQJHMYQMSA-N	-1	1	225.252	-0.296	20	30		BBEDMM
C=C[C@@H](O)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000612819054	360076276	/nfs/dbraw/zinc/07/62/76/360076276.db2.gz	YDSOEHATLIWVKB-HTQZYQBOSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
C=C[C@@H](O)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000612819060	360075897	/nfs/dbraw/zinc/07/58/97/360075897.db2.gz	YDSOEHATLIWVKB-JGVFFNPUSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
C=C[C@H](O)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000612819061	360076137	/nfs/dbraw/zinc/07/61/37/360076137.db2.gz	YDSOEHATLIWVKB-SFYZADRCSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
C=C[C@H](O)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000612819062	360076587	/nfs/dbraw/zinc/07/65/87/360076587.db2.gz	YDSOEHATLIWVKB-YUMQZZPRSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
C=C[C@@](C)(O)C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000613474685	363450981	/nfs/dbraw/zinc/45/09/81/363450981.db2.gz	IXARGNXTWBMROM-GMSGAONNSA-N	-1	1	239.279	-0.301	20	30		BBEDMM
C=C[C@@](C)(O)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000613474687	363450878	/nfs/dbraw/zinc/45/08/78/363450878.db2.gz	IXARGNXTWBMROM-OIBJUYFYSA-N	-1	1	239.279	-0.301	20	30		BBEDMM
C=C[C@](C)(O)C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000613474688	363451153	/nfs/dbraw/zinc/45/11/53/363451153.db2.gz	IXARGNXTWBMROM-XCBNKYQSSA-N	-1	1	239.279	-0.301	20	30		BBEDMM
C=C[C@](C)(O)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000613474689	363450758	/nfs/dbraw/zinc/45/07/58/363450758.db2.gz	IXARGNXTWBMROM-XVKPBYJWSA-N	-1	1	239.279	-0.301	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NCCO)c1	ZINC000614293073	363782027	/nfs/dbraw/zinc/78/20/27/363782027.db2.gz	UGPSQLWMLLITJD-UHFFFAOYSA-N	-1	1	206.201	-0.014	20	30		BBEDMM
CNC(=O)CNC(=O)c1cc([O-])cc(C#N)c1	ZINC000614295305	363783126	/nfs/dbraw/zinc/78/31/26/363783126.db2.gz	FSMGRZRJZVORKD-UHFFFAOYSA-N	-1	1	233.227	-0.260	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NCC(N)=O)c1	ZINC000614361172	363793291	/nfs/dbraw/zinc/79/32/91/363793291.db2.gz	BHCRMIRFIQYWHA-UHFFFAOYSA-N	-1	1	219.200	-0.521	20	30		BBEDMM
Cn1nc(CN2CC[C@@](F)(C#N)C2)[n-]c1=O	ZINC000615637665	368160224	/nfs/dbraw/zinc/16/02/24/368160224.db2.gz	IXIDZMBIRTYFFO-SECBINFHSA-N	-1	1	225.227	-0.454	20	30		BBEDMM
Cn1nc(CN2CC[C@](F)(C#N)C2)[n-]c1=O	ZINC000615637668	368160261	/nfs/dbraw/zinc/16/02/61/368160261.db2.gz	IXIDZMBIRTYFFO-VIFPVBQESA-N	-1	1	225.227	-0.454	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NCCC(N)=O)c1	ZINC000616031703	368903248	/nfs/dbraw/zinc/90/32/48/368903248.db2.gz	QUMOADIHPWDZTE-UHFFFAOYSA-N	-1	1	233.227	-0.131	20	30		BBEDMM
N#Cc1cc(C(=O)NCc2nn[n-]n2)ccn1	ZINC000619435989	388604437	/nfs/dbraw/zinc/60/44/37/388604437.db2.gz	WWFSNQAAQHVGNZ-UHFFFAOYSA-N	-1	1	229.203	-0.604	20	30		BBEDMM
Cc1oc(C#N)cc1C(=O)NCc1nn[n-]n1	ZINC000619550928	369475958	/nfs/dbraw/zinc/47/59/58/369475958.db2.gz	ORFSZHMVYYZTAE-UHFFFAOYSA-N	-1	1	232.203	-0.097	20	30		BBEDMM
N#CCCCS(=O)(=O)[N-][C@@H]1COCCC1=O	ZINC000625491602	343885197	/nfs/dbraw/zinc/88/51/97/343885197.db2.gz	RLHIJMSOUJGRQZ-MRVPVSSYSA-N	-1	1	246.288	-0.432	20	30		BBEDMM
N#CCCCS(=O)(=O)[N-][C@H]1COCCC1=O	ZINC000625491603	343885128	/nfs/dbraw/zinc/88/51/28/343885128.db2.gz	RLHIJMSOUJGRQZ-QMMMGPOBSA-N	-1	1	246.288	-0.432	20	30		BBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCc1nn[n-]n1	ZINC000631232830	361756559	/nfs/dbraw/zinc/75/65/59/361756559.db2.gz	IUFFBIBGUVMRKE-RQJHMYQMSA-N	-1	1	223.236	-0.593	20	30		BBEDMM
C=C(C)COCCNC(=O)CCc1nn[n-]n1	ZINC000631820300	372593387	/nfs/dbraw/zinc/59/33/87/372593387.db2.gz	QWAJLRZGFHGMNC-UHFFFAOYSA-N	-1	1	239.279	-0.159	20	30		BBEDMM
C=CCCOCCNC(=O)CCc1nn[n-]n1	ZINC000632129884	372771793	/nfs/dbraw/zinc/77/17/93/372771793.db2.gz	RTLGFDAKPKJLHN-UHFFFAOYSA-N	-1	1	239.279	-0.159	20	30		BBEDMM
CC#CCCNC(=O)CCc1nn[n-]n1	ZINC000632332177	345302558	/nfs/dbraw/zinc/30/25/58/345302558.db2.gz	YSZFVNUCGCYOKO-UHFFFAOYSA-N	-1	1	207.237	-0.338	20	30		BBEDMM
C=CCOCCNC(=O)CCc1nn[n-]n1	ZINC000632359516	372898689	/nfs/dbraw/zinc/89/86/89/372898689.db2.gz	RDPCDUQVIQRAJP-UHFFFAOYSA-N	-1	1	225.252	-0.549	20	30		BBEDMM
Cc1cc(S(=O)(=O)[N-]CC#CCO)sn1	ZINC000632515544	372982632	/nfs/dbraw/zinc/98/26/32/372982632.db2.gz	GIGOBBCKNUZAJO-UHFFFAOYSA-N	-1	1	246.313	-0.274	20	30		BBEDMM
C=CCN(CCOC)C(=O)CCc1nn[n-]n1	ZINC000632749855	373126164	/nfs/dbraw/zinc/12/61/64/373126164.db2.gz	KFEKPJPUPVIYEQ-UHFFFAOYSA-N	-1	1	239.279	-0.207	20	30		BBEDMM
CC#CCN(C)C(=O)CCc1nn[n-]n1	ZINC000633214767	373356992	/nfs/dbraw/zinc/35/69/92/373356992.db2.gz	MXXRVHJQZDPSRY-UHFFFAOYSA-N	-1	1	207.237	-0.386	20	30		BBEDMM
C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nn[n-]n1	ZINC000633316481	373471185	/nfs/dbraw/zinc/47/11/85/373471185.db2.gz	YYSLJGTWVBVKQK-SFYZADRCSA-N	-1	1	237.263	-0.408	20	30		BBEDMM
C=CCOCCCNC(=O)CCc1nn[n-]n1	ZINC000633628612	373640119	/nfs/dbraw/zinc/64/01/19/373640119.db2.gz	PWQGLZUFPCCEIG-UHFFFAOYSA-N	-1	1	239.279	-0.159	20	30		BBEDMM
CC#CCNC(=O)CCCc1nn[n-]n1	ZINC000635747150	346047480	/nfs/dbraw/zinc/04/74/80/346047480.db2.gz	MUSLUCONHYRNIH-UHFFFAOYSA-N	-1	1	207.237	-0.338	20	30		BBEDMM
C=CCOCCNC(=O)CCCc1nn[n-]n1	ZINC000635784002	346069074	/nfs/dbraw/zinc/06/90/74/346069074.db2.gz	OZWPYAQSUUKTQA-UHFFFAOYSA-N	-1	1	239.279	-0.159	20	30		BBEDMM
C=CCCn1cc(C(=O)NCc2nn[n-]n2)nn1	ZINC000644634671	385038418	/nfs/dbraw/zinc/03/84/18/385038418.db2.gz	YOJCWLJPGFTUET-UHFFFAOYSA-N	-1	1	248.250	-0.703	20	30		BBEDMM
CC#CC[C@H](CO)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000645405159	386464818	/nfs/dbraw/zinc/46/48/18/386464818.db2.gz	YVYCEKIFLZTKRZ-SSDOTTSWSA-N	-1	1	247.258	-0.382	20	30		BBEDMM
CC#CC[C@@H](CO)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000645405166	386465291	/nfs/dbraw/zinc/46/52/91/386465291.db2.gz	YVYCEKIFLZTKRZ-ZETCQYMHSA-N	-1	1	247.258	-0.382	20	30		BBEDMM
Cc1cnc(C(=O)NCC#CCO)c([O-])c1	ZINC000655057341	411486565	/nfs/dbraw/zinc/48/65/65/411486565.db2.gz	NKGFIZCPWZIFDV-UHFFFAOYSA-N	-1	1	220.228	-0.179	20	30		BBEDMM
C=C[C@@H](O)C(=O)NC1(c2nn[n-]n2)CCCC1	ZINC000668870956	487682683	/nfs/dbraw/zinc/68/26/83/487682683.db2.gz	IWBBXJFIDJTYRR-SSDOTTSWSA-N	-1	1	237.263	-0.368	20	30		BBEDMM
C=C[C@H](O)C(=O)NC1(c2nn[n-]n2)CCCC1	ZINC000668870961	487682554	/nfs/dbraw/zinc/68/25/54/487682554.db2.gz	IWBBXJFIDJTYRR-ZETCQYMHSA-N	-1	1	237.263	-0.368	20	30		BBEDMM
CCS(=O)(=O)[N-]c1ccc(C(=O)NO)cn1	ZINC000671994734	487916736	/nfs/dbraw/zinc/91/67/36/487916736.db2.gz	BCMLMPOEOIXIKL-UHFFFAOYSA-N	-1	1	245.260	-0.038	20	30		BBEDMM
O=C(CNC(=O)c1ncccc1[O-])NO	ZINC000671994751	487918009	/nfs/dbraw/zinc/91/80/09/487918009.db2.gz	CJXUXJQSNJAIEB-UHFFFAOYSA-N	-1	1	211.177	-0.978	20	30		BBEDMM
O=C(NO)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000671998618	488235646	/nfs/dbraw/zinc/23/56/46/488235646.db2.gz	SIWXWDNNCZZHGY-UHFFFAOYSA-N	-1	1	246.244	-0.161	20	30		BBEDMM
C=C(C)[C@@H](CO)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000679320088	488333983	/nfs/dbraw/zinc/33/39/83/488333983.db2.gz	JEJOUUHLRKCLIA-RKDXNWHRSA-N	-1	1	239.275	-0.841	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000700591949	711999188	/nfs/dbraw/zinc/99/91/88/711999188.db2.gz	CYWNMFRBERHQHS-MRVPVSSYSA-N	-1	1	222.244	-0.322	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000700591950	711998812	/nfs/dbraw/zinc/99/88/12/711998812.db2.gz	CYWNMFRBERHQHS-QMMMGPOBSA-N	-1	1	222.244	-0.322	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(CC)C1	ZINC000700615621	712002426	/nfs/dbraw/zinc/00/24/26/712002426.db2.gz	KJUFMDZHLZTTEQ-MRVPVSSYSA-N	-1	1	210.233	-0.464	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(CC)C1	ZINC000700615622	712002701	/nfs/dbraw/zinc/00/27/01/712002701.db2.gz	KJUFMDZHLZTTEQ-QMMMGPOBSA-N	-1	1	210.233	-0.464	20	30		BBEDMM
C#CCCCS(=O)(=O)[N-]CC(F)(F)CO	ZINC000711044370	712276758	/nfs/dbraw/zinc/27/67/58/712276758.db2.gz	DJFCHIWNMAGFJN-UHFFFAOYSA-N	-1	1	241.259	-0.053	20	30		BBEDMM
C#CC[C@H](CO)[N-]S(=O)(=O)c1ccns1	ZINC000717697893	712665368	/nfs/dbraw/zinc/66/53/68/712665368.db2.gz	CONMODFQCGVTHZ-SSDOTTSWSA-N	-1	1	246.313	-0.194	20	30		BBEDMM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1ccns1	ZINC000717697895	712665374	/nfs/dbraw/zinc/66/53/74/712665374.db2.gz	CONMODFQCGVTHZ-ZETCQYMHSA-N	-1	1	246.313	-0.194	20	30		BBEDMM
C#C[C@@H](CO)[N-]S(=O)(=O)c1ccns1	ZINC000717698681	712665305	/nfs/dbraw/zinc/66/53/05/712665305.db2.gz	HGKJRLGKKPNEHL-LURJTMIESA-N	-1	1	232.286	-0.585	20	30		BBEDMM
C#C[C@H](CO)[N-]S(=O)(=O)c1ccns1	ZINC000717698682	712665329	/nfs/dbraw/zinc/66/53/29/712665329.db2.gz	HGKJRLGKKPNEHL-ZCFIWIBFSA-N	-1	1	232.286	-0.585	20	30		BBEDMM
O=S(=O)([N-]CC#CCO)c1ccns1	ZINC000717794420	712678240	/nfs/dbraw/zinc/67/82/40/712678240.db2.gz	VUUFXUFDHDXUAS-UHFFFAOYSA-N	-1	1	232.286	-0.583	20	30		BBEDMM
C=C[C@H](CO)[N-]S(=O)(=O)c1ccns1	ZINC000717798000	712678964	/nfs/dbraw/zinc/67/89/64/712678964.db2.gz	BROAJBSYYICWPW-ZCFIWIBFSA-N	-1	1	234.302	-0.032	20	30		BBEDMM
C#CC[C@H](CO)NC(=O)c1cncc([O-])c1	ZINC000717831006	712682825	/nfs/dbraw/zinc/68/28/25/712682825.db2.gz	QFKSMAMQPDSYIN-SECBINFHSA-N	-1	1	220.228	-0.099	20	30		BBEDMM
C#CC[C@@H](CO)NC(=O)c1cncc([O-])c1	ZINC000717831007	712682885	/nfs/dbraw/zinc/68/28/85/712682885.db2.gz	QFKSMAMQPDSYIN-VIFPVBQESA-N	-1	1	220.228	-0.099	20	30		BBEDMM
C#CC[C@H](CO)NC(=O)c1ncccc1[O-]	ZINC000717831317	712682535	/nfs/dbraw/zinc/68/25/35/712682535.db2.gz	SSORSUZISYTCAR-MRVPVSSYSA-N	-1	1	220.228	-0.099	20	30		BBEDMM
C#CC[C@@H](CO)NC(=O)c1ncccc1[O-]	ZINC000717831319	712682552	/nfs/dbraw/zinc/68/25/52/712682552.db2.gz	SSORSUZISYTCAR-QMMMGPOBSA-N	-1	1	220.228	-0.099	20	30		BBEDMM
CC#CC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC000720610731	712858566	/nfs/dbraw/zinc/85/85/66/712858566.db2.gz	OBIVGWQPIVXCLU-UHFFFAOYSA-N	-1	1	219.248	-0.071	20	30		BBEDMM
CC#CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000720655201	712860844	/nfs/dbraw/zinc/86/08/44/712860844.db2.gz	JOCFSQQKHNAJTI-MRVPVSSYSA-N	-1	1	219.248	-0.071	20	30		BBEDMM
CC#CC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000720655202	712861097	/nfs/dbraw/zinc/86/10/97/712861097.db2.gz	JOCFSQQKHNAJTI-QMMMGPOBSA-N	-1	1	219.248	-0.071	20	30		BBEDMM
C=CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000726869355	583379494	/nfs/dbraw/zinc/37/94/94/583379494.db2.gz	PUCWIOLFISRRIH-UHFFFAOYSA-N	-1	1	223.232	-0.771	20	30		BBEDMM
C#Cc1ccc(C(=O)Nc2nn[n-]n2)nc1	ZINC000728961133	583939758	/nfs/dbraw/zinc/93/97/58/583939758.db2.gz	UWQRHJJZVQWNTN-UHFFFAOYSA-N	-1	1	214.188	-0.172	20	30		BBEDMM
C#Cc1ccc(C(=O)Nc2nn[n-]n2)cn1	ZINC000728961521	583939800	/nfs/dbraw/zinc/93/98/00/583939800.db2.gz	YAXIXOPCMOLILP-UHFFFAOYSA-N	-1	1	214.188	-0.172	20	30		BBEDMM
C#Cc1ccc(C(=O)Nc2nnn[n-]2)cn1	ZINC000728961521	583939799	/nfs/dbraw/zinc/93/97/99/583939799.db2.gz	YAXIXOPCMOLILP-UHFFFAOYSA-N	-1	1	214.188	-0.172	20	30		BBEDMM
O=c1nc(NN=Cc2ncc[nH]2)nc2[nH][n-]cc1-2	ZINC000731154855	584922770	/nfs/dbraw/zinc/92/27/70/584922770.db2.gz	HBNSBGNFKHAAMQ-UHFFFAOYSA-N	-1	1	244.218	-0.399	20	30		BBEDMM
O=c1nc(N=NC[C@@H]2CCOC2)nc2[nH][n-]cc1-2	ZINC000731155366	584922891	/nfs/dbraw/zinc/92/28/91/584922891.db2.gz	YQJFXNHMECRHNW-LURJTMIESA-N	-1	1	248.246	-0.134	20	30		BBEDMM
O=c1nc(N=NC[C@H]2CCOC2)nc2[nH][n-]cc1-2	ZINC000731155368	584922906	/nfs/dbraw/zinc/92/29/06/584922906.db2.gz	YQJFXNHMECRHNW-ZCFIWIBFSA-N	-1	1	248.246	-0.134	20	30		BBEDMM
COCC(C)N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000731157543	584922982	/nfs/dbraw/zinc/92/29/82/584922982.db2.gz	NEQLPTGXMQDMIO-UHFFFAOYSA-N	-1	1	236.235	-0.134	20	30		BBEDMM
O=c1nc(N=NC2CCOC2)nc2[nH][n-]cc1-2	ZINC000731927805	584931719	/nfs/dbraw/zinc/93/17/19/584931719.db2.gz	UTHLGKFIJLEHQL-UHFFFAOYSA-N	-1	1	234.219	-0.380	20	30		BBEDMM
C#Cc1ccc(C(=O)NCc2nn[n-]n2)nc1	ZINC000732157603	584934427	/nfs/dbraw/zinc/93/44/27/584934427.db2.gz	ARXVJTMLIMOMSK-UHFFFAOYSA-N	-1	1	228.215	-0.494	20	30		BBEDMM
C#Cc1ccc(C(=O)NCc2nn[n-]n2)cn1	ZINC000732158248	584934231	/nfs/dbraw/zinc/93/42/31/584934231.db2.gz	WBKXNMPWSSDIPJ-UHFFFAOYSA-N	-1	1	228.215	-0.494	20	30		BBEDMM
C#CCN(CC)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733141070	584943439	/nfs/dbraw/zinc/94/34/39/584943439.db2.gz	UPRSEUUWVZEYDU-UHFFFAOYSA-N	-1	1	249.270	-0.592	20	30		BBEDMM
C#CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733287513	643323452	/nfs/dbraw/zinc/32/34/52/643323452.db2.gz	GZXQBVNQZDOADQ-UHFFFAOYSA-N	-1	1	235.243	-0.934	20	30		BBEDMM
C#CC(C)(C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733976619	584955443	/nfs/dbraw/zinc/95/54/43/584955443.db2.gz	LPJCIBVKNHJRGK-UHFFFAOYSA-N	-1	1	249.270	-0.545	20	30		BBEDMM
C#CCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735379910	584976155	/nfs/dbraw/zinc/97/61/55/584976155.db2.gz	AJEJHLFQVHNMJC-UHFFFAOYSA-N	-1	1	228.215	-0.375	20	30		BBEDMM
C#CCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735379910	584976154	/nfs/dbraw/zinc/97/61/54/584976154.db2.gz	AJEJHLFQVHNMJC-UHFFFAOYSA-N	-1	1	228.215	-0.375	20	30		BBEDMM
C=CCOCC(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000735436958	584977204	/nfs/dbraw/zinc/97/72/04/584977204.db2.gz	AJKMVCXPXLTHKJ-UHFFFAOYSA-N	-1	1	249.234	-0.512	20	30		BBEDMM
C=CCOCC(=O)NC1(c2nn[n-]n2)CCC1	ZINC000735437054	584977264	/nfs/dbraw/zinc/97/72/64/584977264.db2.gz	DDHPFJOMSDKDPI-UHFFFAOYSA-N	-1	1	237.263	-0.102	20	30		BBEDMM
C[C@@H](C#N)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000735503015	584978395	/nfs/dbraw/zinc/97/83/95/584978395.db2.gz	FIATYWRZCGCPEJ-BYPYZUCNSA-N	-1	1	232.207	-0.555	20	30		BBEDMM
C[C@H](C#N)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000735503016	584978438	/nfs/dbraw/zinc/97/84/38/584978438.db2.gz	FIATYWRZCGCPEJ-SCSAIBSYSA-N	-1	1	232.207	-0.555	20	30		BBEDMM
C[C@@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735503176	584978500	/nfs/dbraw/zinc/97/85/00/584978500.db2.gz	JHEOPSLFSWAFJP-LURJTMIESA-N	-1	1	243.230	-0.096	20	30		BBEDMM
C[C@@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735503176	584978499	/nfs/dbraw/zinc/97/84/99/584978499.db2.gz	JHEOPSLFSWAFJP-LURJTMIESA-N	-1	1	243.230	-0.096	20	30		BBEDMM
C[C@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735503179	584978279	/nfs/dbraw/zinc/97/82/79/584978279.db2.gz	JHEOPSLFSWAFJP-ZCFIWIBFSA-N	-1	1	243.230	-0.096	20	30		BBEDMM
C[C@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735503179	584978278	/nfs/dbraw/zinc/97/82/78/584978278.db2.gz	JHEOPSLFSWAFJP-ZCFIWIBFSA-N	-1	1	243.230	-0.096	20	30		BBEDMM
C[C@@H](C#N)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000735504093	584978317	/nfs/dbraw/zinc/97/83/17/584978317.db2.gz	MIDGXAUCJNMDAN-BQBZGAKWSA-N	-1	1	222.252	-0.079	20	30		BBEDMM
C[C@H](CN(C)C(=O)[C@@H](C)C#N)c1nn[n-]n1	ZINC000735504094	584978478	/nfs/dbraw/zinc/97/84/78/584978478.db2.gz	MIDGXAUCJNMDAN-NKWVEPMBSA-N	-1	1	222.252	-0.079	20	30		BBEDMM
C[C@H](C#N)C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000735504098	584978516	/nfs/dbraw/zinc/97/85/16/584978516.db2.gz	MIDGXAUCJNMDAN-RNFRBKRXSA-N	-1	1	222.252	-0.079	20	30		BBEDMM
C[C@H](C#N)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000735504099	584978483	/nfs/dbraw/zinc/97/84/83/584978483.db2.gz	MIDGXAUCJNMDAN-RQJHMYQMSA-N	-1	1	222.252	-0.079	20	30		BBEDMM
C#CCNC(=O)CN(CCOC)CCC(=O)[O-]	ZINC000736078524	600640992	/nfs/dbraw/zinc/64/09/92/600640992.db2.gz	ASJOPXRLVLVILZ-UHFFFAOYSA-N	-1	1	242.275	-0.841	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C(=O)[O-]	ZINC000736079160	584988031	/nfs/dbraw/zinc/98/80/31/584988031.db2.gz	IOVKEMQSAXKETM-UWVGGRQHSA-N	-1	1	238.287	-0.079	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000736079161	584988102	/nfs/dbraw/zinc/98/81/02/584988102.db2.gz	IOVKEMQSAXKETM-ZJUUUORDSA-N	-1	1	238.287	-0.079	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)NCCC(=O)[O-]	ZINC000736079183	584987639	/nfs/dbraw/zinc/98/76/39/584987639.db2.gz	IXNJRRBUVBUHCK-VIFPVBQESA-N	-1	1	224.260	-0.325	20	30		BBEDMM
C#CCN1CCC(C(=O)OCC(=O)[O-])CC1	ZINC000736079894	584987723	/nfs/dbraw/zinc/98/77/23/584987723.db2.gz	OOSXSRRGKPMUFQ-UHFFFAOYSA-N	-1	1	225.244	-0.041	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)Nc1nn[n-]n1	ZINC000736155964	584991135	/nfs/dbraw/zinc/99/11/35/584991135.db2.gz	GZNBVAUXNACIJX-ZETCQYMHSA-N	-1	1	220.236	-0.764	20	30		BBEDMM
C#CCN1CCC(C(=O)N(C)CC(=O)[O-])CC1	ZINC000737492288	585033810	/nfs/dbraw/zinc/03/38/10/585033810.db2.gz	ITQBTVGUDVJUJE-UHFFFAOYSA-N	-1	1	238.287	-0.125	20	30		BBEDMM
CN1CCC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737520054	585034903	/nfs/dbraw/zinc/03/49/03/585034903.db2.gz	JSJICXPQJSZNQZ-MRVPVSSYSA-N	-1	1	225.248	-0.483	20	30		BBEDMM
CN1CCC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737520056	585034707	/nfs/dbraw/zinc/03/47/07/585034707.db2.gz	JSJICXPQJSZNQZ-QMMMGPOBSA-N	-1	1	225.248	-0.483	20	30		BBEDMM
COC(=O)CN(CC(=O)[O-])C(=O)C(C)C#N	ZINC000737604210	600388510	/nfs/dbraw/zinc/38/85/10/600388510.db2.gz	INSOWJIMJFMRLI-LURJTMIESA-N	-1	1	228.204	-0.768	20	30		BBEDMM
COC(=O)CN(CC(=O)[O-])C(=O)C(C)C#N	ZINC000737604211	600388404	/nfs/dbraw/zinc/38/84/04/600388404.db2.gz	INSOWJIMJFMRLI-ZCFIWIBFSA-N	-1	1	228.204	-0.768	20	30		BBEDMM
N#CCOC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737694868	599139610	/nfs/dbraw/zinc/13/96/10/599139610.db2.gz	FWGKGHSBEGJUQC-UHFFFAOYSA-N	-1	1	230.187	-0.058	20	30		BBEDMM
N#CCOC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737694868	599139608	/nfs/dbraw/zinc/13/96/08/599139608.db2.gz	FWGKGHSBEGJUQC-UHFFFAOYSA-N	-1	1	230.187	-0.058	20	30		BBEDMM
N#CCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737696269	599027296	/nfs/dbraw/zinc/02/72/96/599027296.db2.gz	PSVRTNQFVMCCPH-UHFFFAOYSA-N	-1	1	229.203	-0.485	20	30		BBEDMM
N#CCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737696269	599027294	/nfs/dbraw/zinc/02/72/94/599027294.db2.gz	PSVRTNQFVMCCPH-UHFFFAOYSA-N	-1	1	229.203	-0.485	20	30		BBEDMM
COCCN(CCC(=O)[O-])CC(=O)NCC#N	ZINC000737793659	583950204	/nfs/dbraw/zinc/95/02/04/583950204.db2.gz	BGOJJYYVDXHBDS-UHFFFAOYSA-N	-1	1	243.263	-0.951	20	30		BBEDMM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])n[nH]1	ZINC000738319476	583389690	/nfs/dbraw/zinc/38/96/90/583389690.db2.gz	MAMWHJFERMUMPI-UHFFFAOYSA-N	-1	1	222.204	-0.232	20	30		BBEDMM
C#CCN(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738457891	602868840	/nfs/dbraw/zinc/86/88/40/602868840.db2.gz	ZNIRYBOYDIORLJ-UHFFFAOYSA-N	-1	1	225.292	-0.153	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)NCCNC(=O)[O-]	ZINC000738461305	602684999	/nfs/dbraw/zinc/68/49/99/602684999.db2.gz	RWZPVFPGQJYUGS-VIFPVBQESA-N	-1	1	239.275	-0.532	20	30		BBEDMM
C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[O-]	ZINC000738461307	603253299	/nfs/dbraw/zinc/25/32/99/603253299.db2.gz	SAQSLABQHRIFFH-SECBINFHSA-N	-1	1	241.291	-0.286	20	30		BBEDMM
C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)[O-]	ZINC000738461308	603253485	/nfs/dbraw/zinc/25/34/85/603253485.db2.gz	SAQSLABQHRIFFH-VIFPVBQESA-N	-1	1	241.291	-0.286	20	30		BBEDMM
C#CCNC(=O)CN(C)CCCNC(=O)[O-]	ZINC000738462301	603255667	/nfs/dbraw/zinc/25/56/67/603255667.db2.gz	YOWNKDBNNUKNPI-UHFFFAOYSA-N	-1	1	227.264	-0.675	20	30		BBEDMM
C#CCNC(=O)CNC1(C(=O)[O-])CCCC1	ZINC000738462872	604476707	/nfs/dbraw/zinc/47/67/07/604476707.db2.gz	CYWWURKVXJBGAY-UHFFFAOYSA-N	-1	1	224.260	-0.277	20	30		BBEDMM
C#CCNC(=O)CN1CC[C@H](CNC(=O)[O-])C1	ZINC000738463150	601954346	/nfs/dbraw/zinc/95/43/46/601954346.db2.gz	NVIZZGGSBRRNTB-SECBINFHSA-N	-1	1	239.275	-0.675	20	30		BBEDMM
C#CCNC(=O)CN1CC[C@@H](CNC(=O)[O-])C1	ZINC000738463151	601954012	/nfs/dbraw/zinc/95/40/12/601954012.db2.gz	NVIZZGGSBRRNTB-VIFPVBQESA-N	-1	1	239.275	-0.675	20	30		BBEDMM
C=CCNC(=O)CN1CC[C@H](CNC(=O)[O-])C1	ZINC000738495343	601961556	/nfs/dbraw/zinc/96/15/56/601961556.db2.gz	LEIINWFCWAZVDN-SECBINFHSA-N	-1	1	241.291	-0.122	20	30		BBEDMM
C=CCNC(=O)CN1CC[C@@H](CNC(=O)[O-])C1	ZINC000738495349	601961361	/nfs/dbraw/zinc/96/13/61/601961361.db2.gz	LEIINWFCWAZVDN-VIFPVBQESA-N	-1	1	241.291	-0.122	20	30		BBEDMM
C=CCNC(=O)CN(C)CCCNC(=O)[O-]	ZINC000738496186	603257311	/nfs/dbraw/zinc/25/73/11/603257311.db2.gz	UESPMDKSDQNHKU-UHFFFAOYSA-N	-1	1	229.280	-0.122	20	30		BBEDMM
N#CCN(CC(=O)[O-])C(=O)c1cc[nH]n1	ZINC000739087506	600404749	/nfs/dbraw/zinc/40/47/49/600404749.db2.gz	NGWBRDMGERDFGL-UHFFFAOYSA-N	-1	1	208.177	-0.540	20	30		BBEDMM
CN(CCCNC(=O)[O-])CC(=O)NCC#N	ZINC000739682014	603256399	/nfs/dbraw/zinc/25/63/99/603256399.db2.gz	LGMGGGQEMYQSBP-UHFFFAOYSA-N	-1	1	228.252	-0.784	20	30		BBEDMM
CN(CCCNC(=O)[O-])CC(=O)NCCC#N	ZINC000739682033	603256492	/nfs/dbraw/zinc/25/64/92/603256492.db2.gz	LLVGHLDUUUKVRB-UHFFFAOYSA-N	-1	1	242.279	-0.394	20	30		BBEDMM
C#CCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000742788112	585130940	/nfs/dbraw/zinc/13/09/40/585130940.db2.gz	JRHNGRNLMFXXPX-UHFFFAOYSA-N	-1	1	249.270	-0.544	20	30		BBEDMM
C=CCOCCCC(=O)NN1CC(=O)[N-]C1=O	ZINC000743291354	585134829	/nfs/dbraw/zinc/13/48/29/585134829.db2.gz	RHMDYQSIGCYMSP-UHFFFAOYSA-N	-1	1	241.247	-0.448	20	30		BBEDMM
C=C(C)CNC(=S)NN1CC(=O)[N-]C1=O	ZINC000747755252	585183687	/nfs/dbraw/zinc/18/36/87/585183687.db2.gz	GICIWUXQAIUSAG-UHFFFAOYSA-N	-1	1	228.277	-0.507	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)[N-]OCCOC	ZINC000748768665	585195484	/nfs/dbraw/zinc/19/54/84/585195484.db2.gz	XDSVKNIFGNRRPR-JTQLQIEISA-N	-1	1	226.276	-0.222	20	30		BBEDMM
CC(CCO)N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000749858417	585207562	/nfs/dbraw/zinc/20/75/62/585207562.db2.gz	ITQWIHRKFWCVEC-UHFFFAOYSA-N	-1	1	236.235	-0.398	20	30		BBEDMM
C#C[C@H](CC)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000754387911	585283841	/nfs/dbraw/zinc/28/38/41/585283841.db2.gz	AOSQMTDRDYEXKT-SECBINFHSA-N	-1	1	249.270	-0.545	20	30		BBEDMM
C#C[C@@H](CC)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000754387931	585283830	/nfs/dbraw/zinc/28/38/30/585283830.db2.gz	AOSQMTDRDYEXKT-VIFPVBQESA-N	-1	1	249.270	-0.545	20	30		BBEDMM
Oc1[n-]c(NN=Cc2cc[nH]n2)nc2nncc1-2	ZINC000755703009	644619473	/nfs/dbraw/zinc/61/94/73/644619473.db2.gz	CHMABNJBEIAEGV-UHFFFAOYSA-N	-1	1	244.218	-0.399	20	30		BBEDMM
O=c1nc(NN=Cc2c[nH]cn2)nc2[nH][n-]cc1-2	ZINC000755703658	644618967	/nfs/dbraw/zinc/61/89/67/644618967.db2.gz	NFVSCSOUOADJAI-UHFFFAOYSA-N	-1	1	244.218	-0.399	20	30		BBEDMM
CC#CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000756149211	585315316	/nfs/dbraw/zinc/31/53/16/585315316.db2.gz	SZPGWKZAPQPNIV-UHFFFAOYSA-N	-1	1	249.270	-0.544	20	30		BBEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#N)co1	ZINC000756395866	585319025	/nfs/dbraw/zinc/31/90/25/585319025.db2.gz	SYOXFOLAUIKVOR-UHFFFAOYSA-N	-1	1	244.228	-0.132	20	30		BBEDMM
C=C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000757011262	585326660	/nfs/dbraw/zinc/32/66/60/585326660.db2.gz	ZGEWZCSVYMFDSN-MRVPVSSYSA-N	-1	1	237.259	-0.383	20	30		BBEDMM
C=C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000757011274	585326747	/nfs/dbraw/zinc/32/67/47/585326747.db2.gz	ZGEWZCSVYMFDSN-QMMMGPOBSA-N	-1	1	237.259	-0.383	20	30		BBEDMM
NC(=O)CNN=Cc1cccc(F)c1[O-]	ZINC000758898591	585361667	/nfs/dbraw/zinc/36/16/67/585361667.db2.gz	OSWXANAGGJXLMU-UHFFFAOYSA-N	-1	1	211.196	-0.060	20	30		BBEDMM
C#CCCCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000760308352	585389697	/nfs/dbraw/zinc/38/96/97/585389697.db2.gz	UBDPHIMPZWVPEI-SECBINFHSA-N	-1	1	249.274	-0.097	20	30		BBEDMM
C#CCCCC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000760308354	585389715	/nfs/dbraw/zinc/38/97/15/585389715.db2.gz	UBDPHIMPZWVPEI-VIFPVBQESA-N	-1	1	249.274	-0.097	20	30		BBEDMM
Cn1cc(N=NCc2cn(CC(=O)[O-])nn2)cn1	ZINC000761870618	585421278	/nfs/dbraw/zinc/42/12/78/585421278.db2.gz	RWECKAUVMNCXMQ-UHFFFAOYSA-N	-1	1	249.234	-0.458	20	30		BBEDMM
CC#CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000762704015	585435646	/nfs/dbraw/zinc/43/56/46/585435646.db2.gz	CIHZKVOEXIJWPM-UHFFFAOYSA-N	-1	1	235.243	-0.934	20	30		BBEDMM
C#CCC(CC#C)C(=O)[N-]OCC(N)=O	ZINC000764649135	585469864	/nfs/dbraw/zinc/46/98/64/585469864.db2.gz	MLTHJCIKRGXJHR-UHFFFAOYSA-N	-1	1	208.217	-0.818	20	30		BBEDMM
C[C@@H]1CC(NC(O)=CS(C)(=O)=O)=NO1	ZINC000765384738	585485255	/nfs/dbraw/zinc/48/52/55/585485255.db2.gz	QIBCWOVWLNQMCB-RXMQYKEDSA-N	-1	1	220.250	-0.731	20	30		BBEDMM
C[C@H]1CC(NC(O)=CS(C)(=O)=O)=NO1	ZINC000765384744	585485175	/nfs/dbraw/zinc/48/51/75/585485175.db2.gz	QIBCWOVWLNQMCB-YFKPBYRVSA-N	-1	1	220.250	-0.731	20	30		BBEDMM
C[C@H]1CC(NC(=O)c2cc(=O)[nH][n-]2)=NO1	ZINC000765384948	585485281	/nfs/dbraw/zinc/48/52/81/585485281.db2.gz	ROLRLCMIQFTTAT-BYPYZUCNSA-N	-1	1	210.193	-0.899	20	30		BBEDMM
C[C@@H]1CC(NC(=O)c2cc(=O)[nH][n-]2)=NO1	ZINC000765384954	585485154	/nfs/dbraw/zinc/48/51/54/585485154.db2.gz	ROLRLCMIQFTTAT-SCSAIBSYSA-N	-1	1	210.193	-0.899	20	30		BBEDMM
C=CCCOCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765459316	585487232	/nfs/dbraw/zinc/48/72/32/585487232.db2.gz	IXFBFZSCGUMTCY-UHFFFAOYSA-N	-1	1	241.247	-0.256	20	30		BBEDMM
Cn1[n-]c(COC(=O)c2cc(C#N)c[nH]2)nc1=O	ZINC000765488255	585487958	/nfs/dbraw/zinc/48/79/58/585487958.db2.gz	XMNGZYLJNWWDHL-UHFFFAOYSA-N	-1	1	247.214	-0.335	20	30		BBEDMM
C#CCOCCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765502067	585488425	/nfs/dbraw/zinc/48/84/25/585488425.db2.gz	JBJMBRRQPQJGLV-UHFFFAOYSA-N	-1	1	239.231	-0.809	20	30		BBEDMM
CC(CC1CC1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765590696	585490571	/nfs/dbraw/zinc/49/05/71/585490571.db2.gz	AKBGHOYRDWTBOI-UHFFFAOYSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
CCC(N=NC1=NC(=O)C(=O)[N-]1)C1CC1	ZINC000765590845	585490576	/nfs/dbraw/zinc/49/05/76/585490576.db2.gz	CYJCBZNYUHWAMB-UHFFFAOYSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
CC1C=C(N=NC2=NC(=O)C(=O)[N-]2)CC1	ZINC000765590852	585490565	/nfs/dbraw/zinc/49/05/65/585490565.db2.gz	DDWGWKSVZMYLKX-UHFFFAOYSA-N	-1	1	206.205	-0.316	20	30		BBEDMM
COCC(N=NC1=NC(=O)C(=O)[N-]1)C(C)C	ZINC000765591142	585490514	/nfs/dbraw/zinc/49/05/14/585490514.db2.gz	IGEOGTBSHHDUFZ-UHFFFAOYSA-N	-1	1	226.236	-0.753	20	30		BBEDMM
O=C1N=C(N=NC2CCCCC2)[N-]C1=O	ZINC000765591312	585490604	/nfs/dbraw/zinc/49/06/04/585490604.db2.gz	KOIFTAWEXYETSE-UHFFFAOYSA-N	-1	1	208.221	-0.092	20	30		BBEDMM
O=C1N=C(N=NC=CCc2ccco2)[N-]C1=O	ZINC000765591367	585490587	/nfs/dbraw/zinc/49/05/87/585490587.db2.gz	LHDXDRLENUQZRD-GEPGIHLSSA-N	-1	1	232.199	-0.119	20	30		BBEDMM
O=C1N=C(N=NC=CCc2ccco2)[N-]C1=O	ZINC000765591376	585490598	/nfs/dbraw/zinc/49/05/98/585490598.db2.gz	LHDXDRLENUQZRD-MGBCMINVSA-N	-1	1	232.199	-0.119	20	30		BBEDMM
O=C1N=C(N=NC2CC3(CCC3)C2)[N-]C1=O	ZINC000765591684	585491033	/nfs/dbraw/zinc/49/10/33/585491033.db2.gz	QYZXKYHODIXKKK-UHFFFAOYSA-N	-1	1	220.232	-0.092	20	30		BBEDMM
CO[C@@H]1CCCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000765592394	585490816	/nfs/dbraw/zinc/49/08/16/585490816.db2.gz	SWMBLFYVOMWNKR-SSDOTTSWSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CO[C@H]1CCCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000765592395	585490859	/nfs/dbraw/zinc/49/08/59/585490859.db2.gz	SWMBLFYVOMWNKR-ZETCQYMHSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(Cc1ccncc1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765593063	585490873	/nfs/dbraw/zinc/49/08/73/585490873.db2.gz	KTSJMTWZWUTCCX-UHFFFAOYSA-N	-1	1	245.242	-0.398	20	30		BBEDMM
O=C1N=C(N=NC[C@@H]2CC=CCC2)[N-]C1=O	ZINC000765593077	585490812	/nfs/dbraw/zinc/49/08/12/585490812.db2.gz	KUPDGSOHQREZDT-SSDOTTSWSA-N	-1	1	220.232	-0.070	20	30		BBEDMM
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CC[C@@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CCO1	ZINC000765593253	585490853	/nfs/dbraw/zinc/49/08/53/585490853.db2.gz	CVBAJEVDUZUIAR-SSDOTTSWSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC[C@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CCO1	ZINC000765593254	585490978	/nfs/dbraw/zinc/49/09/78/585490978.db2.gz	CVBAJEVDUZUIAR-ZETCQYMHSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CCOC1	ZINC000765593489	585490913	/nfs/dbraw/zinc/49/09/13/585490913.db2.gz	FWSAMTVOJRDKJS-LURJTMIESA-N	-1	1	224.220	-0.999	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CCOC1	ZINC000765593490	585491000	/nfs/dbraw/zinc/49/10/00/585491000.db2.gz	FWSAMTVOJRDKJS-ZCFIWIBFSA-N	-1	1	224.220	-0.999	20	30		BBEDMM
COCC(N=NC1=NC(=O)C(=O)[N-]1)C1CC1	ZINC000765594090	585490727	/nfs/dbraw/zinc/49/07/27/585490727.db2.gz	NWUBEMXUIVDPMD-UHFFFAOYSA-N	-1	1	224.220	-0.999	20	30		BBEDMM
CCOCC(C)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765594305	585490751	/nfs/dbraw/zinc/49/07/51/585490751.db2.gz	VCVREXZCDAGCBP-UHFFFAOYSA-N	-1	1	212.209	-0.999	20	30		BBEDMM
COCCC(N=NC1=NC(=O)C(=O)[N-]1)C(C)C	ZINC000765594763	585490707	/nfs/dbraw/zinc/49/07/07/585490707.db2.gz	VFVYGPDCFFETJH-UHFFFAOYSA-N	-1	1	240.263	-0.363	20	30		BBEDMM
CCC(COC)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765594777	585490967	/nfs/dbraw/zinc/49/09/67/585490967.db2.gz	VYUCDQAMSXTIDW-UHFFFAOYSA-N	-1	1	212.209	-0.999	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)C1CCC1	ZINC000765594958	585490841	/nfs/dbraw/zinc/49/08/41/585490841.db2.gz	BAMFBNOLKFTJJN-UHFFFAOYSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
COCCCC(C)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765595823	585490876	/nfs/dbraw/zinc/49/08/76/585490876.db2.gz	PMBVRNHIRXALBI-UHFFFAOYSA-N	-1	1	226.236	-0.609	20	30		BBEDMM
CC(C[C@H]1CCOC1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765595922	585490863	/nfs/dbraw/zinc/49/08/63/585490863.db2.gz	RZAOTHULSZMBIJ-SSDOTTSWSA-N	-1	1	238.247	-0.609	20	30		BBEDMM
CC(C[C@@H]1CCOC1)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765595923	585490903	/nfs/dbraw/zinc/49/09/03/585490903.db2.gz	RZAOTHULSZMBIJ-ZETCQYMHSA-N	-1	1	238.247	-0.609	20	30		BBEDMM
CCC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CCOC1	ZINC000765596179	585490839	/nfs/dbraw/zinc/49/08/39/585490839.db2.gz	SWFCGMVLJAPWBD-LURJTMIESA-N	-1	1	238.247	-0.609	20	30		BBEDMM
CCC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CCOC1	ZINC000765596183	585490958	/nfs/dbraw/zinc/49/09/58/585490958.db2.gz	SWFCGMVLJAPWBD-ZCFIWIBFSA-N	-1	1	238.247	-0.609	20	30		BBEDMM
CCCCC(COC)N=NC1=NC(=O)C(=O)[N-]1	ZINC000765596222	585490146	/nfs/dbraw/zinc/49/01/46/585490146.db2.gz	TYHKSYNIVTUXDD-UHFFFAOYSA-N	-1	1	240.263	-0.219	20	30		BBEDMM
C[C@@H]1CCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000765596398	585490994	/nfs/dbraw/zinc/49/09/94/585490994.db2.gz	ZMXMKZHBFUAUAK-RXMQYKEDSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
C[C@H]1CCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000765596400	585490743	/nfs/dbraw/zinc/49/07/43/585490743.db2.gz	ZMXMKZHBFUAUAK-YFKPBYRVSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
CCO[C@@H]1CCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000766453716	585502848	/nfs/dbraw/zinc/50/28/48/585502848.db2.gz	DHPXVPCKOPCHID-SSDOTTSWSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CCO[C@H]1CCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000766453717	585502793	/nfs/dbraw/zinc/50/27/93/585502793.db2.gz	DHPXVPCKOPCHID-ZETCQYMHSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
C#CCC(C)(C)C(=O)NN1CC(=O)[N-]C1=O	ZINC000767295800	585516483	/nfs/dbraw/zinc/51/64/83/585516483.db2.gz	GMNJZWZZRMADQR-UHFFFAOYSA-N	-1	1	223.232	-0.381	20	30		BBEDMM
CC#CCCCC(=O)NN1CC(=O)[N-]C1=O	ZINC000767297126	585516409	/nfs/dbraw/zinc/51/64/09/585516409.db2.gz	OFIHGJUBHDBKHK-UHFFFAOYSA-N	-1	1	223.232	-0.237	20	30		BBEDMM
CC1CC(C#N)(C(=O)NN2CC(=O)[N-]C2=O)C1	ZINC000767815718	585526691	/nfs/dbraw/zinc/52/66/91/585526691.db2.gz	WCKRXVHMFGFLJV-UHFFFAOYSA-N	-1	1	236.231	-0.491	20	30		BBEDMM
C#CCC(C)(C)C(=O)NCc1nn[n-]n1	ZINC000768078416	585531710	/nfs/dbraw/zinc/53/17/10/585531710.db2.gz	UVEWPVDCPPTYNM-UHFFFAOYSA-N	-1	1	207.237	-0.135	20	30		BBEDMM
C#C[C@@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000769658965	585561100	/nfs/dbraw/zinc/56/11/00/585561100.db2.gz	SRZHAMLJPOHVMG-SECBINFHSA-N	-1	1	249.270	-0.593	20	30		BBEDMM
C#C[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000769658968	585561198	/nfs/dbraw/zinc/56/11/98/585561198.db2.gz	SRZHAMLJPOHVMG-VIFPVBQESA-N	-1	1	249.270	-0.593	20	30		BBEDMM
O=C1N=C(N=NC2CCCOCC2)[N-]C1=O	ZINC000770607095	585577394	/nfs/dbraw/zinc/57/73/94/585577394.db2.gz	FUKGOSDPSKVDNW-UHFFFAOYSA-N	-1	1	224.220	-0.855	20	30		BBEDMM
C#C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000772976708	585628806	/nfs/dbraw/zinc/62/88/06/585628806.db2.gz	UDMICZJYTJDLOA-MRVPVSSYSA-N	-1	1	235.243	-0.935	20	30		BBEDMM
C#C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000772976710	585628896	/nfs/dbraw/zinc/62/88/96/585628896.db2.gz	UDMICZJYTJDLOA-QMMMGPOBSA-N	-1	1	235.243	-0.935	20	30		BBEDMM
C[C@@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CCO1	ZINC000773209644	585633734	/nfs/dbraw/zinc/63/37/34/585633734.db2.gz	SFALJFYBRXPIOJ-RXMQYKEDSA-N	-1	1	224.220	-0.857	20	30		BBEDMM
C[C@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CCO1	ZINC000773209656	585633651	/nfs/dbraw/zinc/63/36/51/585633651.db2.gz	SFALJFYBRXPIOJ-YFKPBYRVSA-N	-1	1	224.220	-0.857	20	30		BBEDMM
C#CCCCCC(=O)NN1CC(=O)[N-]C1=O	ZINC000774253598	585655214	/nfs/dbraw/zinc/65/52/14/585655214.db2.gz	FPRUXJAJSMEPLN-UHFFFAOYSA-N	-1	1	223.232	-0.237	20	30		BBEDMM
C#C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CCCO1	ZINC000775795724	585685252	/nfs/dbraw/zinc/68/52/52/585685252.db2.gz	ZCIJAACQNFVZSZ-BDAKNGLRSA-N	-1	1	236.275	-0.621	20	30		BBEDMM
C#C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CCCO1	ZINC000775795733	585685104	/nfs/dbraw/zinc/68/51/04/585685104.db2.gz	ZCIJAACQNFVZSZ-DTWKUNHWSA-N	-1	1	236.275	-0.621	20	30		BBEDMM
C#C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CCCO1	ZINC000775795735	585685236	/nfs/dbraw/zinc/68/52/36/585685236.db2.gz	ZCIJAACQNFVZSZ-IUCAKERBSA-N	-1	1	236.275	-0.621	20	30		BBEDMM
C#C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CCCO1	ZINC000775795736	585685219	/nfs/dbraw/zinc/68/52/19/585685219.db2.gz	ZCIJAACQNFVZSZ-RKDXNWHRSA-N	-1	1	236.275	-0.621	20	30		BBEDMM
C#CCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000776593412	585702178	/nfs/dbraw/zinc/70/21/78/585702178.db2.gz	WKSUOJYHWAEFHJ-UHFFFAOYSA-N	-1	1	235.291	-0.349	20	30		BBEDMM
C[C@@H]1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)=NO1	ZINC000777436015	585712118	/nfs/dbraw/zinc/71/21/18/585712118.db2.gz	OHFIUXUFYGZKCJ-GSVOUGTGSA-N	-1	1	239.191	-0.865	20	30		BBEDMM
C[C@H]1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)=NO1	ZINC000777436016	585712063	/nfs/dbraw/zinc/71/20/63/585712063.db2.gz	OHFIUXUFYGZKCJ-VKHMYHEASA-N	-1	1	239.191	-0.865	20	30		BBEDMM
Cn1ccc(Cn2ccc(C=N[O-])nc2=O)n1	ZINC000778593173	585738030	/nfs/dbraw/zinc/73/80/30/585738030.db2.gz	NIHVSWIBBXJCNS-UHFFFAOYSA-N	-1	1	233.231	-0.167	20	30		BBEDMM
C=CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000779066720	585744675	/nfs/dbraw/zinc/74/46/75/585744675.db2.gz	ZCRRSUUDYOULHM-UHFFFAOYSA-N	-1	1	237.259	-0.429	20	30		BBEDMM
C=C(C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000779074686	585744917	/nfs/dbraw/zinc/74/49/17/585744917.db2.gz	TWJDUKJJKCWFQR-UHFFFAOYSA-N	-1	1	237.259	-0.381	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CCCOC1	ZINC000779785938	585763387	/nfs/dbraw/zinc/76/33/87/585763387.db2.gz	XCPMGZFEAIWZMZ-SSDOTTSWSA-N	-1	1	238.247	-0.609	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CCCOC1	ZINC000779785940	585763232	/nfs/dbraw/zinc/76/32/32/585763232.db2.gz	XCPMGZFEAIWZMZ-ZETCQYMHSA-N	-1	1	238.247	-0.609	20	30		BBEDMM
Cn1nccc1Cn1ccc(C=N[O-])nc1=O	ZINC000781154180	585791536	/nfs/dbraw/zinc/79/15/36/585791536.db2.gz	JEFCPXVKFHFCHF-UHFFFAOYSA-N	-1	1	233.231	-0.167	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@]1(C)CCCO1	ZINC000782267064	585813447	/nfs/dbraw/zinc/81/34/47/585813447.db2.gz	NWHZMHNNIIJDNX-JTQLQIEISA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@]1(C)CCCO1	ZINC000782267071	585813580	/nfs/dbraw/zinc/81/35/80/585813580.db2.gz	NWHZMHNNIIJDNX-SNVBAGLBSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CCCO1	ZINC000783865164	585845089	/nfs/dbraw/zinc/84/50/89/585845089.db2.gz	WJBJKKMVAORJOH-LURJTMIESA-N	-1	1	224.220	-0.857	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CCCO1	ZINC000783865166	585844991	/nfs/dbraw/zinc/84/49/91/585844991.db2.gz	WJBJKKMVAORJOH-ZCFIWIBFSA-N	-1	1	224.220	-0.857	20	30		BBEDMM
N#Cc1ccc(C(=O)NN2CN=NC2=O)cc1[O-]	ZINC000785414666	585872935	/nfs/dbraw/zinc/87/29/35/585872935.db2.gz	UXBPBHRSFWXYHT-UHFFFAOYSA-N	-1	1	245.198	-0.055	20	30		BBEDMM
N#Cc1ccc(C(=O)NCCNC(N)=O)cc1[O-]	ZINC000785415552	584006753	/nfs/dbraw/zinc/00/67/53/584006753.db2.gz	IUXFEUUSUIFRIW-UHFFFAOYSA-N	-1	1	248.242	-0.338	20	30		BBEDMM
Cn1[n-]c(COC(=O)c2ccc(C#N)[nH]2)nc1=O	ZINC000786087589	585886715	/nfs/dbraw/zinc/88/67/15/585886715.db2.gz	RBEAGEVXBYALHM-UHFFFAOYSA-N	-1	1	247.214	-0.335	20	30		BBEDMM
CN(C)c1nc(C(=O)OCC#N)cc(=O)[n-]1	ZINC000786497057	585892679	/nfs/dbraw/zinc/89/26/79/585892679.db2.gz	MWJIFJPOXZTERC-UHFFFAOYSA-N	-1	1	222.204	-0.071	20	30		BBEDMM
Cn1[n-]c(COC(=O)c2c[nH]c(C#N)c2)nc1=O	ZINC000786900551	585898395	/nfs/dbraw/zinc/89/83/95/585898395.db2.gz	QUFGMQAXYSZNML-UHFFFAOYSA-N	-1	1	247.214	-0.335	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NOCCO)c1	ZINC000787281464	585904531	/nfs/dbraw/zinc/90/45/31/585904531.db2.gz	FRCKQRRDQVDOMG-UHFFFAOYSA-N	-1	1	222.200	-0.082	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)[N-]OCCO	ZINC000787293244	585905492	/nfs/dbraw/zinc/90/54/92/585905492.db2.gz	MRKUXQSHLCWMSA-VIFPVBQESA-N	-1	1	212.249	-0.876	20	30		BBEDMM
CC1(C)CCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000789033128	585933712	/nfs/dbraw/zinc/93/37/12/585933712.db2.gz	DLHCVILSZPVVSY-UHFFFAOYSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
C#CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000790966710	585971044	/nfs/dbraw/zinc/97/10/44/585971044.db2.gz	FIYFLNBPEWBGMF-UHFFFAOYSA-N	-1	1	235.243	-0.982	20	30		BBEDMM
C[C@]1(CN=NC2=NC(=O)C(=O)[N-]2)CCCS1	ZINC000793033533	586008860	/nfs/dbraw/zinc/00/88/60/586008860.db2.gz	CLPYYFGMZXLAJW-SECBINFHSA-N	-1	1	240.288	-0.140	20	30		BBEDMM
C[C@@]1(CN=NC2=NC(=O)C(=O)[N-]2)CCCS1	ZINC000793033536	586008836	/nfs/dbraw/zinc/00/88/36/586008836.db2.gz	CLPYYFGMZXLAJW-VIFPVBQESA-N	-1	1	240.288	-0.140	20	30		BBEDMM
CO[C@@H]1CCCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000794526328	586042133	/nfs/dbraw/zinc/04/21/33/586042133.db2.gz	PBXYYVQSDKUDAV-SSDOTTSWSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CO[C@H]1CCCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000794526330	586042115	/nfs/dbraw/zinc/04/21/15/586042115.db2.gz	PBXYYVQSDKUDAV-ZETCQYMHSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
C[C@@H]1COCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000794526704	586042066	/nfs/dbraw/zinc/04/20/66/586042066.db2.gz	UTBSINGDMNCTEL-RXMQYKEDSA-N	-1	1	224.220	-0.999	20	30		BBEDMM
C[C@H]1COCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000794526706	586042062	/nfs/dbraw/zinc/04/20/62/586042062.db2.gz	UTBSINGDMNCTEL-YFKPBYRVSA-N	-1	1	224.220	-0.999	20	30		BBEDMM
C[C@H]1CSCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000794921354	586055115	/nfs/dbraw/zinc/05/51/15/586055115.db2.gz	BLTTXRQPQNLZID-BYPYZUCNSA-N	-1	1	226.261	-0.673	20	30		BBEDMM
C[C@@H]1CSCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000794921356	586055006	/nfs/dbraw/zinc/05/50/06/586055006.db2.gz	BLTTXRQPQNLZID-SCSAIBSYSA-N	-1	1	226.261	-0.673	20	30		BBEDMM
O=C([O-])Cn1cc(C=NNc2cncnc2)nn1	ZINC000794976074	586060374	/nfs/dbraw/zinc/06/03/74/586060374.db2.gz	DGGMAIWZRZDFNB-UHFFFAOYSA-N	-1	1	247.218	-0.401	20	30		BBEDMM
CC[C@](C)(C#N)C(=O)NN1CC(=O)[N-]C1=O	ZINC000795283902	586074608	/nfs/dbraw/zinc/07/46/08/586074608.db2.gz	KCUWTTJQCAFBMW-SECBINFHSA-N	-1	1	224.220	-0.491	20	30		BBEDMM
CC[C@@](C)(C#N)C(=O)NN1CC(=O)[N-]C1=O	ZINC000795283909	586074621	/nfs/dbraw/zinc/07/46/21/586074621.db2.gz	KCUWTTJQCAFBMW-VIFPVBQESA-N	-1	1	224.220	-0.491	20	30		BBEDMM
Cn1[n-]c(COC(=O)c2ccc(C#N)o2)nc1=O	ZINC000796151785	636239112	/nfs/dbraw/zinc/23/91/12/636239112.db2.gz	QKTBWOXMNOHALY-UHFFFAOYSA-N	-1	1	248.198	-0.070	20	30		BBEDMM
C#CCC[C@@H](O)CNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000798421244	586143810	/nfs/dbraw/zinc/14/38/10/586143810.db2.gz	KZNCRSRSPSFPQP-SSDOTTSWSA-N	-1	1	247.258	-0.382	20	30		BBEDMM
C#CCC[C@H](O)CNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000798421245	586143669	/nfs/dbraw/zinc/14/36/69/586143669.db2.gz	KZNCRSRSPSFPQP-ZETCQYMHSA-N	-1	1	247.258	-0.382	20	30		BBEDMM
O=C1N=C(N=NC2CCC23CCC3)[N-]C1=O	ZINC000799883395	586200288	/nfs/dbraw/zinc/20/02/88/586200288.db2.gz	ANLVDIXDMGMJEO-UHFFFAOYSA-N	-1	1	220.232	-0.092	20	30		BBEDMM
O=C1N=C(N=NC2CCC[C@H]3C[C@H]32)[N-]C1=O	ZINC000800815389	586232064	/nfs/dbraw/zinc/23/20/64/586232064.db2.gz	WZRDFRDNIZMHLB-NTSWFWBYSA-N	-1	1	220.232	-0.236	20	30		BBEDMM
C#CCC(CC#C)C(=O)OCc1nc(=O)n(C)[n-]1	ZINC000803699136	586370294	/nfs/dbraw/zinc/37/02/94/586370294.db2.gz	RWBVIRJVTMSNCA-UHFFFAOYSA-N	-1	1	247.254	-0.186	20	30		BBEDMM
CNC(=O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000804940302	585178696	/nfs/dbraw/zinc/17/86/96/585178696.db2.gz	OSUXHXMTANKANG-UHFFFAOYSA-N	-1	1	243.244	-0.824	20	30		BBEDMM
C=CCN1CC[C@@H](OC(=O)c2cn[n-]n2)C1=O	ZINC000805603838	585730320	/nfs/dbraw/zinc/73/03/20/585730320.db2.gz	WAAPRMIRCVEZKX-MRVPVSSYSA-N	-1	1	236.231	-0.252	20	30		BBEDMM
C=CCN1CC[C@H](OC(=O)c2cn[n-]n2)C1=O	ZINC000805603841	585730170	/nfs/dbraw/zinc/73/01/70/585730170.db2.gz	WAAPRMIRCVEZKX-QMMMGPOBSA-N	-1	1	236.231	-0.252	20	30		BBEDMM
C[C@@H](C#N)OCCOC(=O)c1cn[n-]n1	ZINC000805604442	585730774	/nfs/dbraw/zinc/73/07/74/585730774.db2.gz	JGOYIIBJRDSSOG-LURJTMIESA-N	-1	1	210.193	-0.110	20	30		BBEDMM
C[C@H](C#N)OCCOC(=O)c1cn[n-]n1	ZINC000805604443	585730801	/nfs/dbraw/zinc/73/08/01/585730801.db2.gz	JGOYIIBJRDSSOG-ZCFIWIBFSA-N	-1	1	210.193	-0.110	20	30		BBEDMM
C=CCNC(=O)COC(=O)c1cn[n-]n1	ZINC000805605857	585732747	/nfs/dbraw/zinc/73/27/47/585732747.db2.gz	QTZPRWULFWQGJP-UHFFFAOYSA-N	-1	1	210.193	-0.736	20	30		BBEDMM
C#CCNC(=O)[C@H](C)OC(=O)c1cn[n-]n1	ZINC000805609261	585735874	/nfs/dbraw/zinc/73/58/74/585735874.db2.gz	PLDINEAPAMENOJ-LURJTMIESA-N	-1	1	222.204	-0.901	20	30		BBEDMM
C#CCNC(=O)[C@@H](C)OC(=O)c1cn[n-]n1	ZINC000805609262	585736051	/nfs/dbraw/zinc/73/60/51/585736051.db2.gz	PLDINEAPAMENOJ-ZCFIWIBFSA-N	-1	1	222.204	-0.901	20	30		BBEDMM
C#Cc1cncc(C(=O)Nc2nn[n-]n2)c1	ZINC000806495801	586413002	/nfs/dbraw/zinc/41/30/02/586413002.db2.gz	LAZZZFMCNPNAKT-UHFFFAOYSA-N	-1	1	214.188	-0.172	20	30		BBEDMM
C#Cc1cncc(C(=O)Nc2nnn[n-]2)c1	ZINC000806495801	586413001	/nfs/dbraw/zinc/41/30/01/586413001.db2.gz	LAZZZFMCNPNAKT-UHFFFAOYSA-N	-1	1	214.188	-0.172	20	30		BBEDMM
CC[C@@H]1CCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000807979352	586454461	/nfs/dbraw/zinc/45/44/61/586454461.db2.gz	FOZBGNCASLYVCO-RXMQYKEDSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
CC[C@H]1CCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000807979357	586454355	/nfs/dbraw/zinc/45/43/55/586454355.db2.gz	FOZBGNCASLYVCO-YFKPBYRVSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NN2CN=NC2=O)c1	ZINC000809745146	586516735	/nfs/dbraw/zinc/51/67/35/586516735.db2.gz	DGAMFPDVCZUKHX-UHFFFAOYSA-N	-1	1	245.198	-0.055	20	30		BBEDMM
N#Cc1cc([O-])cc(C(=O)NOCC(N)=O)c1	ZINC000809746060	586516866	/nfs/dbraw/zinc/51/68/66/586516866.db2.gz	LZASCGGOQBESKD-UHFFFAOYSA-N	-1	1	235.199	-0.589	20	30		BBEDMM
C#CCO[N-]C(=O)CSc1nc(C)n[nH]1	ZINC000812781787	644930410	/nfs/dbraw/zinc/93/04/10/644930410.db2.gz	FZNYBHJMYBQGRU-UHFFFAOYSA-N	-1	1	226.261	-0.114	20	30		BBEDMM
C#CCO[N-]C(=O)CSc1nnc(C)[nH]1	ZINC000812781787	644930403	/nfs/dbraw/zinc/93/04/03/644930403.db2.gz	FZNYBHJMYBQGRU-UHFFFAOYSA-N	-1	1	226.261	-0.114	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000812782323	712586209	/nfs/dbraw/zinc/58/62/09/712586209.db2.gz	QYELFMPOYRKPNA-MRVPVSSYSA-N	-1	1	248.242	-0.556	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000812782331	712586197	/nfs/dbraw/zinc/58/61/97/712586197.db2.gz	QYELFMPOYRKPNA-QMMMGPOBSA-N	-1	1	248.242	-0.556	20	30		BBEDMM
Cc1nc[nH]c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233558	586618850	/nfs/dbraw/zinc/61/88/50/586618850.db2.gz	WCSNINUMKBCHJD-UHFFFAOYSA-N	-1	1	208.181	-0.397	20	30		BBEDMM
O=c1nc(NN=Cc2cocn2)nc2[nH][n-]cc1-2	ZINC000814843419	586638028	/nfs/dbraw/zinc/63/80/28/586638028.db2.gz	VCFDBUITQVMFAR-UHFFFAOYSA-N	-1	1	245.202	-0.134	20	30		BBEDMM
CC1(CN=Nc2nc3[nH][n-]cc-3c(=O)n2)COC1	ZINC000814843463	586638163	/nfs/dbraw/zinc/63/81/63/586638163.db2.gz	VQIYXMGGMOMNQX-UHFFFAOYSA-N	-1	1	248.246	-0.134	20	30		BBEDMM
N#C[C@H]1CCCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000814889229	586643578	/nfs/dbraw/zinc/64/35/78/586643578.db2.gz	AIWLMWFGAFHNNG-LURJTMIESA-N	-1	1	233.231	-0.342	20	30		BBEDMM
N#C[C@@H]1CCCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000814889230	586643499	/nfs/dbraw/zinc/64/34/99/586643499.db2.gz	AIWLMWFGAFHNNG-ZCFIWIBFSA-N	-1	1	233.231	-0.342	20	30		BBEDMM
CO[C@@](C)(CN=NC1=NC(=O)C(=O)[N-]1)C1CC1	ZINC000814889277	586643415	/nfs/dbraw/zinc/64/34/15/586643415.db2.gz	CKUHDXIAKMCHFX-JTQLQIEISA-N	-1	1	238.247	-0.611	20	30		BBEDMM
CO[C@](C)(CN=NC1=NC(=O)C(=O)[N-]1)C1CC1	ZINC000814889278	636127631	/nfs/dbraw/zinc/12/76/31/636127631.db2.gz	CKUHDXIAKMCHFX-SNVBAGLBSA-N	-1	1	238.247	-0.611	20	30		BBEDMM
COCCC(C)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814889487	586643558	/nfs/dbraw/zinc/64/35/58/586643558.db2.gz	IETKFUCQBSJNQO-UHFFFAOYSA-N	-1	1	212.209	-0.999	20	30		BBEDMM
C[C@@H]1SCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000814889645	586643562	/nfs/dbraw/zinc/64/35/62/586643562.db2.gz	LCMICCHSXMSROE-BYPYZUCNSA-N	-1	1	226.261	-0.530	20	30		BBEDMM
C[C@H]1SCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000814889648	586643626	/nfs/dbraw/zinc/64/36/26/586643626.db2.gz	LCMICCHSXMSROE-SCSAIBSYSA-N	-1	1	226.261	-0.530	20	30		BBEDMM
CC1(C)OCCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000814889713	586643471	/nfs/dbraw/zinc/64/34/71/586643471.db2.gz	NFUIJFYGZLQMTF-UHFFFAOYSA-N	-1	1	224.220	-0.857	20	30		BBEDMM
C[C@@H]1CCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000814890382	586643357	/nfs/dbraw/zinc/64/33/57/586643357.db2.gz	UJFWWABLBDAWCR-RXMQYKEDSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
C[C@H]1CCC(N=NC2=NC(=O)C(=O)[N-]2)C1	ZINC000814890383	586643335	/nfs/dbraw/zinc/64/33/35/586643335.db2.gz	UJFWWABLBDAWCR-YFKPBYRVSA-N	-1	1	208.221	-0.236	20	30		BBEDMM
O=C1N=C(N=NC2CCCSC2)[N-]C1=O	ZINC000814890641	586643772	/nfs/dbraw/zinc/64/37/72/586643772.db2.gz	ZOLFPLFPGUHDEG-UHFFFAOYSA-N	-1	1	226.261	-0.529	20	30		BBEDMM
CC(CC(F)(F)F)N=NC1=NC(=O)C(=O)[N-]1	ZINC000814890660	586644002	/nfs/dbraw/zinc/64/40/02/586644002.db2.gz	ZZYMFRIEQWUGPU-UHFFFAOYSA-N	-1	1	236.153	-0.083	20	30		BBEDMM
C[C@H]1CN=C(NN=Cc2c[nH]c(C(=O)[O-])c2)N1	ZINC000814897355	586645646	/nfs/dbraw/zinc/64/56/46/586645646.db2.gz	IHSMTYLDTCJCRV-LURJTMIESA-N	-1	1	235.247	-0.016	20	30		BBEDMM
C[C@@H]1CN=C(NN=Cc2c[nH]c(C(=O)[O-])c2)N1	ZINC000814897356	585018693	/nfs/dbraw/zinc/01/86/93/585018693.db2.gz	IHSMTYLDTCJCRV-ZCFIWIBFSA-N	-1	1	235.247	-0.016	20	30		BBEDMM
CC1(C=Nn2c(=O)cn[n-]c2=S)COC1	ZINC000814915679	586649964	/nfs/dbraw/zinc/64/99/64/586649964.db2.gz	DKMYDZMOGINWTN-UHFFFAOYSA-N	-1	1	226.261	-0.203	20	30		BBEDMM
C=CCC(F)(F)C(=O)[N-]C1=NCC(=O)N1	ZINC000815582930	586688055	/nfs/dbraw/zinc/68/80/55/586688055.db2.gz	SJGHUNRBYVIAGA-UHFFFAOYSA-N	-1	1	217.175	-0.200	20	30		BBEDMM
CC#CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000819246091	645009163	/nfs/dbraw/zinc/00/91/63/645009163.db2.gz	YOXCUKIONPPLFR-UHFFFAOYSA-N	-1	1	249.270	-0.592	20	30		BBEDMM
C=CCC1(C(=O)[N-]OCC(N)=O)CCOCC1	ZINC000819460926	586966218	/nfs/dbraw/zinc/96/62/18/586966218.db2.gz	FZFBBEYUWPYLJW-UHFFFAOYSA-N	-1	1	242.275	-0.108	20	30		BBEDMM
C#CCNC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000819701067	586987442	/nfs/dbraw/zinc/98/74/42/586987442.db2.gz	ZHIDIXSLZVFALB-WPRPVWTQSA-N	-1	1	226.276	-0.175	20	30		BBEDMM
C#CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000819702199	586987409	/nfs/dbraw/zinc/98/74/09/586987409.db2.gz	STWSRAQCNJFJIJ-UHFFFAOYSA-N	-1	1	246.234	-0.645	20	30		BBEDMM
C#CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000819702199	586987408	/nfs/dbraw/zinc/98/74/08/586987408.db2.gz	STWSRAQCNJFJIJ-UHFFFAOYSA-N	-1	1	246.234	-0.645	20	30		BBEDMM
C=C(C)CN(C)CC(=O)NCC(=O)[O-]	ZINC000819706037	586987730	/nfs/dbraw/zinc/98/77/30/586987730.db2.gz	JTSWEEIDCQSEPJ-UHFFFAOYSA-N	-1	1	200.238	-0.305	20	30		BBEDMM
C=C[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000819730372	586989808	/nfs/dbraw/zinc/98/98/08/586989808.db2.gz	XVJLMMFPLNMZMT-LURJTMIESA-N	-1	1	248.250	-0.851	20	30		BBEDMM
C=C[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000819730373	586989509	/nfs/dbraw/zinc/98/95/09/586989509.db2.gz	XVJLMMFPLNMZMT-ZCFIWIBFSA-N	-1	1	248.250	-0.851	20	30		BBEDMM
C=CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000819750956	606595449	/nfs/dbraw/zinc/59/54/49/606595449.db2.gz	KRYPYPMNPFASQZ-UHFFFAOYSA-N	-1	1	248.250	-0.092	20	30		BBEDMM
C=CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000819750956	606595448	/nfs/dbraw/zinc/59/54/48/606595448.db2.gz	KRYPYPMNPFASQZ-UHFFFAOYSA-N	-1	1	248.250	-0.092	20	30		BBEDMM
CS[C@@H]1CCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000819812764	586997413	/nfs/dbraw/zinc/99/74/13/586997413.db2.gz	OYCRMFAREBVDOE-RXMQYKEDSA-N	-1	1	226.261	-0.530	20	30		BBEDMM
CS[C@H]1CCC1N=NC1=NC(=O)C(=O)[N-]1	ZINC000819812766	586997342	/nfs/dbraw/zinc/99/73/42/586997342.db2.gz	OYCRMFAREBVDOE-YFKPBYRVSA-N	-1	1	226.261	-0.530	20	30		BBEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1c[nH]nn1	ZINC000819841706	586999513	/nfs/dbraw/zinc/99/95/13/586999513.db2.gz	CGWWZBNDFUCXFQ-SECBINFHSA-N	-1	1	237.219	-0.575	20	30		BBEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1c[nH]nn1	ZINC000819841712	586999026	/nfs/dbraw/zinc/99/90/26/586999026.db2.gz	CGWWZBNDFUCXFQ-VIFPVBQESA-N	-1	1	237.219	-0.575	20	30		BBEDMM
C#CCCNC(=O)CCCc1nn[n-]n1	ZINC000819982627	587011011	/nfs/dbraw/zinc/01/10/11/587011011.db2.gz	UIDASRKSBSDVLF-UHFFFAOYSA-N	-1	1	207.237	-0.338	20	30		BBEDMM
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820128620	587025452	/nfs/dbraw/zinc/02/54/52/587025452.db2.gz	ZHHMGRJFIUITTR-HTQZYQBOSA-N	-1	1	227.264	-0.813	20	30		BBEDMM
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820128623	587025667	/nfs/dbraw/zinc/02/56/67/587025667.db2.gz	ZHHMGRJFIUITTR-JGVFFNPUSA-N	-1	1	227.264	-0.813	20	30		BBEDMM
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820128625	587025205	/nfs/dbraw/zinc/02/52/05/587025205.db2.gz	ZHHMGRJFIUITTR-SFYZADRCSA-N	-1	1	227.264	-0.813	20	30		BBEDMM
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820128626	587024815	/nfs/dbraw/zinc/02/48/15/587024815.db2.gz	ZHHMGRJFIUITTR-YUMQZZPRSA-N	-1	1	227.264	-0.813	20	30		BBEDMM
O=C(N[C@H]1CCN(O)C1=O)c1ncccc1[O-]	ZINC000820174701	587031598	/nfs/dbraw/zinc/03/15/98/587031598.db2.gz	LZBBAZGZUPRYEM-LURJTMIESA-N	-1	1	237.215	-0.493	20	30		BBEDMM
O=C(N[C@@H]1CCN(O)C1=O)c1ncccc1[O-]	ZINC000820174704	587031919	/nfs/dbraw/zinc/03/19/19/587031919.db2.gz	LZBBAZGZUPRYEM-ZCFIWIBFSA-N	-1	1	237.215	-0.493	20	30		BBEDMM
C[C@@H](CO)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820287895	587041622	/nfs/dbraw/zinc/04/16/22/587041622.db2.gz	RXDGPNLMQZXEEX-LURJTMIESA-N	-1	1	236.235	-0.236	20	30		BBEDMM
C[C@@H](CO)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820287895	587041620	/nfs/dbraw/zinc/04/16/20/587041620.db2.gz	RXDGPNLMQZXEEX-LURJTMIESA-N	-1	1	236.235	-0.236	20	30		BBEDMM
C[C@H](CO)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820287896	587041269	/nfs/dbraw/zinc/04/12/69/587041269.db2.gz	RXDGPNLMQZXEEX-ZCFIWIBFSA-N	-1	1	236.235	-0.236	20	30		BBEDMM
C[C@H](CO)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820287896	587041267	/nfs/dbraw/zinc/04/12/67/587041267.db2.gz	RXDGPNLMQZXEEX-ZCFIWIBFSA-N	-1	1	236.235	-0.236	20	30		BBEDMM
C#CCN(CC#C)C(=O)CCCc1nn[n-]n1	ZINC000820458214	587049978	/nfs/dbraw/zinc/04/99/78/587049978.db2.gz	UFMSQGAUXYLORQ-UHFFFAOYSA-N	-1	1	231.259	-0.383	20	30		BBEDMM
CC[C@H](C)[C@H](NCC(=O)NCC#N)C(=O)[O-]	ZINC000820459553	587050119	/nfs/dbraw/zinc/05/01/19/587050119.db2.gz	BUBRBXDFWMBCJW-CBAPKCEASA-N	-1	1	227.264	-0.285	20	30		BBEDMM
C#CCOCCNC(=O)CCCc1nn[n-]n1	ZINC000821880606	587145511	/nfs/dbraw/zinc/14/55/11/587145511.db2.gz	BAHXWLRDNFYWSD-UHFFFAOYSA-N	-1	1	237.263	-0.712	20	30		BBEDMM
C#C[C@@H](C)NC(=O)CCCc1nn[n-]n1	ZINC000822081753	587151963	/nfs/dbraw/zinc/15/19/63/587151963.db2.gz	GSQAFOXYNMAOHQ-SSDOTTSWSA-N	-1	1	207.237	-0.340	20	30		BBEDMM
C#C[C@H](C)NC(=O)CCCc1nn[n-]n1	ZINC000822081757	587151616	/nfs/dbraw/zinc/15/16/16/587151616.db2.gz	GSQAFOXYNMAOHQ-ZETCQYMHSA-N	-1	1	207.237	-0.340	20	30		BBEDMM
C#CCN(C)C(=O)CCCc1nn[n-]n1	ZINC000822371279	587164653	/nfs/dbraw/zinc/16/46/53/587164653.db2.gz	YJVDXRKTSOQAQP-UHFFFAOYSA-N	-1	1	207.237	-0.386	20	30		BBEDMM
C#CCN(CC#N)C(=O)CCCc1nn[n-]n1	ZINC000822679604	587180720	/nfs/dbraw/zinc/18/07/20/587180720.db2.gz	KOGGKFATIPQXJO-UHFFFAOYSA-N	-1	1	232.247	-0.492	20	30		BBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCCF	ZINC000822814905	587187927	/nfs/dbraw/zinc/18/79/27/587187927.db2.gz	LEPQJBMXGIUGJN-UHFFFAOYSA-N	-1	1	236.214	-0.123	20	30		BBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC1CC1	ZINC000822815026	587187659	/nfs/dbraw/zinc/18/76/59/587187659.db2.gz	MXQVYJJTKKEXQI-UHFFFAOYSA-N	-1	1	230.235	-0.073	20	30		BBEDMM
C=CCONC(=O)CCCc1nn[n-]n1	ZINC000823421192	587221148	/nfs/dbraw/zinc/22/11/48/587221148.db2.gz	PENWOCAMPMMCDP-UHFFFAOYSA-N	-1	1	211.225	-0.244	20	30		BBEDMM
C#C[C@@H]1COCCN1C(=O)CCCc1nn[n-]n1	ZINC000823541641	587230804	/nfs/dbraw/zinc/23/08/04/587230804.db2.gz	OWGICIIHJJSVRL-SECBINFHSA-N	-1	1	249.274	-0.617	20	30		BBEDMM
C#C[C@H]1COCCN1C(=O)CCCc1nn[n-]n1	ZINC000823541643	587230553	/nfs/dbraw/zinc/23/05/53/587230553.db2.gz	OWGICIIHJJSVRL-VIFPVBQESA-N	-1	1	249.274	-0.617	20	30		BBEDMM
C#CCCCn1cnc(-c2nn[n-]n2)n1	ZINC000823844677	587243101	/nfs/dbraw/zinc/24/31/01/587243101.db2.gz	GHECVMFIMYODAK-UHFFFAOYSA-N	-1	1	203.209	-0.128	20	30		BBEDMM
C#CCCn1c(N)nc(-c2nn[n-]n2)c1C#N	ZINC000823845354	587242912	/nfs/dbraw/zinc/24/29/12/587242912.db2.gz	OZRZBHMZCVKQAU-UHFFFAOYSA-N	-1	1	228.219	-0.460	20	30		BBEDMM
C#CCCCn1c(N)nc(-c2nn[n-]n2)c1C#N	ZINC000823845423	587242946	/nfs/dbraw/zinc/24/29/46/587242946.db2.gz	RMQZKGGJZVXPKZ-UHFFFAOYSA-N	-1	1	242.246	-0.070	20	30		BBEDMM
C#CCNc1ccc(-c2nn[n-]n2)nn1	ZINC000823850010	587242739	/nfs/dbraw/zinc/24/27/39/587242739.db2.gz	GVKURTYIZYDIFP-UHFFFAOYSA-N	-1	1	201.193	-0.298	20	30		BBEDMM
C#CCNc1ccc(-c2nnn[n-]2)nn1	ZINC000823850010	587242738	/nfs/dbraw/zinc/24/27/38/587242738.db2.gz	GVKURTYIZYDIFP-UHFFFAOYSA-N	-1	1	201.193	-0.298	20	30		BBEDMM
C#CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000823850276	587242541	/nfs/dbraw/zinc/24/25/41/587242541.db2.gz	MFKXRELTIZWIGB-UHFFFAOYSA-N	-1	1	246.230	-0.545	20	30		BBEDMM
C#CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000823850276	587242540	/nfs/dbraw/zinc/24/25/40/587242540.db2.gz	MFKXRELTIZWIGB-UHFFFAOYSA-N	-1	1	246.230	-0.545	20	30		BBEDMM
C#CCOCCNc1ccc(-c2nn[n-]n2)nn1	ZINC000823855910	587243688	/nfs/dbraw/zinc/24/36/88/587243688.db2.gz	DMGLYLRCIGIADO-UHFFFAOYSA-N	-1	1	245.246	-0.282	20	30		BBEDMM
C#CCOCCNc1ccc(-c2nnn[n-]2)nn1	ZINC000823855910	587243685	/nfs/dbraw/zinc/24/36/85/587243685.db2.gz	DMGLYLRCIGIADO-UHFFFAOYSA-N	-1	1	245.246	-0.282	20	30		BBEDMM
C#CCOCCNc1nccnc1-c1nn[n-]n1	ZINC000823856614	587243832	/nfs/dbraw/zinc/24/38/32/587243832.db2.gz	VGCGHFBXPUKBNV-UHFFFAOYSA-N	-1	1	245.246	-0.282	20	30		BBEDMM
C#CCOCCNc1nccnc1-c1nnn[n-]1	ZINC000823856614	587243831	/nfs/dbraw/zinc/24/38/31/587243831.db2.gz	VGCGHFBXPUKBNV-UHFFFAOYSA-N	-1	1	245.246	-0.282	20	30		BBEDMM
C=CCCC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000823888256	587245493	/nfs/dbraw/zinc/24/54/93/587245493.db2.gz	IHLCHRPGQWOLQQ-UHFFFAOYSA-N	-1	1	233.235	-0.007	20	30		BBEDMM
C=CCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000823899148	587245640	/nfs/dbraw/zinc/24/56/40/587245640.db2.gz	NOEVASQEMUNHMI-UHFFFAOYSA-N	-1	1	248.246	-0.697	20	30		BBEDMM
C=CCNC(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000823926036	587246204	/nfs/dbraw/zinc/24/62/04/587246204.db2.gz	WUGRHHCOIQQYBX-UHFFFAOYSA-N	-1	1	233.235	-0.635	20	30		BBEDMM
C=CCNC(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000823926036	587246202	/nfs/dbraw/zinc/24/62/02/587246202.db2.gz	WUGRHHCOIQQYBX-UHFFFAOYSA-N	-1	1	233.235	-0.635	20	30		BBEDMM
CC(C)(O)Cn1cnc(C#N)c1-c1nn[n-]n1	ZINC000824172676	587259521	/nfs/dbraw/zinc/25/95/21/587259521.db2.gz	NXYPHGVIVCZFNU-UHFFFAOYSA-N	-1	1	233.235	-0.294	20	30		BBEDMM
CC(C)(O)Cn1cnc(-c2nn[n-]n2)c1C#N	ZINC000824172998	587259341	/nfs/dbraw/zinc/25/93/41/587259341.db2.gz	UCBLMGZHQYJELR-UHFFFAOYSA-N	-1	1	233.235	-0.294	20	30		BBEDMM
CCC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1	ZINC000825034170	587299547	/nfs/dbraw/zinc/29/95/47/587299547.db2.gz	FUWCOXAFEOLBFH-UHFFFAOYSA-N	-1	1	231.219	-0.086	20	30		BBEDMM
CCC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N	ZINC000825035097	587300104	/nfs/dbraw/zinc/30/01/04/587300104.db2.gz	VNHBMHAHGPLGSO-UHFFFAOYSA-N	-1	1	231.219	-0.086	20	30		BBEDMM
CCOC(=O)c1cnn(CC#N)c1-c1nn[n-]n1	ZINC000825564907	587325542	/nfs/dbraw/zinc/32/55/42/587325542.db2.gz	IGOWAKMPNIYPGS-UHFFFAOYSA-N	-1	1	247.218	-0.237	20	30		BBEDMM
CCOC(=O)c1cnn(CC#N)c1-c1nnn[n-]1	ZINC000825564907	587325541	/nfs/dbraw/zinc/32/55/41/587325541.db2.gz	IGOWAKMPNIYPGS-UHFFFAOYSA-N	-1	1	247.218	-0.237	20	30		BBEDMM
CCOCCn1cnc(C#N)c1-c1nn[n-]n1	ZINC000825604401	587326880	/nfs/dbraw/zinc/32/68/80/587326880.db2.gz	ITXFCIPOCFIXGH-UHFFFAOYSA-N	-1	1	233.235	-0.029	20	30		BBEDMM
CCOCCn1cnc(-c2nn[n-]n2)c1C#N	ZINC000825604993	587326836	/nfs/dbraw/zinc/32/68/36/587326836.db2.gz	MNBAKCJIMZYZHP-UHFFFAOYSA-N	-1	1	233.235	-0.029	20	30		BBEDMM
C#CCN(CC#C)CCC(=O)NCC(=O)[O-]	ZINC000825608542	587327276	/nfs/dbraw/zinc/32/72/76/587327276.db2.gz	BIFKMPRGROEZGJ-UHFFFAOYSA-N	-1	1	222.244	-0.854	20	30		BBEDMM
C#CCN(CC#C)CCC(=O)N(C)CC(=O)[O-]	ZINC000825609119	587327143	/nfs/dbraw/zinc/32/71/43/587327143.db2.gz	VSZCZEZPQDULAY-UHFFFAOYSA-N	-1	1	236.271	-0.512	20	30		BBEDMM
C#CCN(CC)[C@H](C)C(=O)NCC(=O)[O-]	ZINC000825614210	587327861	/nfs/dbraw/zinc/32/78/61/587327861.db2.gz	IWPCWCVDHQQJPG-MRVPVSSYSA-N	-1	1	212.249	-0.469	20	30		BBEDMM
C#CCN(CC)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000825614213	587327377	/nfs/dbraw/zinc/32/73/77/587327377.db2.gz	IWPCWCVDHQQJPG-QMMMGPOBSA-N	-1	1	212.249	-0.469	20	30		BBEDMM
C#CCN(CC#CC)CCC(=O)NCC(=O)[O-]	ZINC000825614853	587327647	/nfs/dbraw/zinc/32/76/47/587327647.db2.gz	ZTKUECCQPPGCPR-UHFFFAOYSA-N	-1	1	236.271	-0.464	20	30		BBEDMM
C#CCNC(=O)CN[C@@](C)(C(=O)[O-])C1CC1	ZINC000825620068	587327650	/nfs/dbraw/zinc/32/76/50/587327650.db2.gz	ULZVKMIPYOAPKG-LLVKDONJSA-N	-1	1	224.260	-0.421	20	30		BBEDMM
C#CCNC(=O)CN[C@](C)(C(=O)[O-])C1CC1	ZINC000825620069	587327468	/nfs/dbraw/zinc/32/74/68/587327468.db2.gz	ULZVKMIPYOAPKG-NSHDSACASA-N	-1	1	224.260	-0.421	20	30		BBEDMM
C#CCNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C	ZINC000825620206	587327391	/nfs/dbraw/zinc/32/73/91/587327391.db2.gz	XVHHAWXMEOCBNT-SECBINFHSA-N	-1	1	226.276	-0.175	20	30		BBEDMM
C#CCNC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C	ZINC000825620209	587327360	/nfs/dbraw/zinc/32/73/60/587327360.db2.gz	XVHHAWXMEOCBNT-VIFPVBQESA-N	-1	1	226.276	-0.175	20	30		BBEDMM
COCC#CCn1ccnc1-c1nn[n-]n1	ZINC000826147637	587351214	/nfs/dbraw/zinc/35/12/14/587351214.db2.gz	FUCPWMAHWJFLML-UHFFFAOYSA-N	-1	1	218.220	-0.287	20	30		BBEDMM
COCC#CCn1ccnc1-c1nnn[n-]1	ZINC000826147637	587351213	/nfs/dbraw/zinc/35/12/13/587351213.db2.gz	FUCPWMAHWJFLML-UHFFFAOYSA-N	-1	1	218.220	-0.287	20	30		BBEDMM
COCC#CCn1cccc(-c2nn[n-]n2)c1=O	ZINC000826147686	587351393	/nfs/dbraw/zinc/35/13/93/587351393.db2.gz	IAEFHXMBIOCVGN-UHFFFAOYSA-N	-1	1	245.242	-0.322	20	30		BBEDMM
COCC#CCn1cnc(-c2nn[n-]n2)n1	ZINC000826148090	587351275	/nfs/dbraw/zinc/35/12/75/587351275.db2.gz	YGXKRUAEPYLLPL-UHFFFAOYSA-N	-1	1	219.208	-0.892	20	30		BBEDMM
COCCn1cnc(C#N)c1-c1nn[n-]n1	ZINC000826163671	587351781	/nfs/dbraw/zinc/35/17/81/587351781.db2.gz	FUMAUEFTNVBWIM-UHFFFAOYSA-N	-1	1	219.208	-0.419	20	30		BBEDMM
COCCn1cnc(-c2nn[n-]n2)c1C#N	ZINC000826163866	587351600	/nfs/dbraw/zinc/35/16/00/587351600.db2.gz	OXFWFPGSQDONPK-UHFFFAOYSA-N	-1	1	219.208	-0.419	20	30		BBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(F)F	ZINC000826382358	609176636	/nfs/dbraw/zinc/17/66/36/609176636.db2.gz	APBKKWAXYVQHQC-UHFFFAOYSA-N	-1	1	240.177	-0.218	20	30		BBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCF	ZINC000826382769	609174749	/nfs/dbraw/zinc/17/47/49/609174749.db2.gz	UETMCCQKMYVCQN-UHFFFAOYSA-N	-1	1	222.187	-0.513	20	30		BBEDMM
N#Cc1cccc(-n2cnc(-c3nn[n-]n3)n2)n1	ZINC000826386535	607895780	/nfs/dbraw/zinc/89/57/80/607895780.db2.gz	JAKFLMKLLFDKHX-UHFFFAOYSA-N	-1	1	239.202	-0.286	20	30		BBEDMM
N#Cc1ncn(-c2cccc(-c3nn[n-]n3)n2)n1	ZINC000826387982	607895669	/nfs/dbraw/zinc/89/56/69/607895669.db2.gz	CQZTZVHYNHMFTP-UHFFFAOYSA-N	-1	1	239.202	-0.286	20	30		BBEDMM
N#Cc1ncn(-c2cccc(-c3nnn[n-]3)n2)n1	ZINC000826387982	607895668	/nfs/dbraw/zinc/89/56/68/607895668.db2.gz	CQZTZVHYNHMFTP-UHFFFAOYSA-N	-1	1	239.202	-0.286	20	30		BBEDMM
NC(=O)CON=Cc1ccc(-c2nn[n-]n2)o1	ZINC000826391545	608220670	/nfs/dbraw/zinc/22/06/70/608220670.db2.gz	PQJCFJFGXPVMNI-UHFFFAOYSA-N	-1	1	236.191	-0.705	20	30		BBEDMM
NC(=O)CON=Cc1ccc(-c2nnn[n-]2)o1	ZINC000826391545	608220669	/nfs/dbraw/zinc/22/06/69/608220669.db2.gz	PQJCFJFGXPVMNI-UHFFFAOYSA-N	-1	1	236.191	-0.705	20	30		BBEDMM
O=C1N=NCN1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000826501445	587352873	/nfs/dbraw/zinc/35/28/73/587352873.db2.gz	QFPRCSMPEARRAL-UHFFFAOYSA-N	-1	1	246.190	-0.361	20	30		BBEDMM
O=C1N=NCN1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000826501445	587352872	/nfs/dbraw/zinc/35/28/72/587352872.db2.gz	QFPRCSMPEARRAL-UHFFFAOYSA-N	-1	1	246.190	-0.361	20	30		BBEDMM
CC(C)C#CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000826834736	587363726	/nfs/dbraw/zinc/36/37/26/587363726.db2.gz	VWAHDKGSTJMOPS-SECBINFHSA-N	-1	1	249.274	-0.241	20	30		BBEDMM
CC(C)C#CC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000826834737	587363718	/nfs/dbraw/zinc/36/37/18/587363718.db2.gz	VWAHDKGSTJMOPS-VIFPVBQESA-N	-1	1	249.274	-0.241	20	30		BBEDMM
C[C@](NCC(=O)NCCC#N)(C(=O)[O-])C1CC1	ZINC000827728600	587399802	/nfs/dbraw/zinc/39/98/02/587399802.db2.gz	SWWBDTHREKNWKN-LLVKDONJSA-N	-1	1	239.275	-0.141	20	30		BBEDMM
C[C@@](NCC(=O)NCCC#N)(C(=O)[O-])C1CC1	ZINC000827728601	587399626	/nfs/dbraw/zinc/39/96/26/587399626.db2.gz	SWWBDTHREKNWKN-NSHDSACASA-N	-1	1	239.275	-0.141	20	30		BBEDMM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(C)C#N	ZINC000831066980	587584999	/nfs/dbraw/zinc/58/49/99/587584999.db2.gz	MHEWWBHCEATSAC-NTSWFWBYSA-N	-1	1	228.204	-0.721	20	30		BBEDMM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(C)C#N	ZINC000831066981	587584728	/nfs/dbraw/zinc/58/47/28/587584728.db2.gz	MHEWWBHCEATSAC-PHDIDXHHSA-N	-1	1	228.204	-0.721	20	30		BBEDMM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C(C)C#N	ZINC000831066983	587584886	/nfs/dbraw/zinc/58/48/86/587584886.db2.gz	MHEWWBHCEATSAC-RITPCOANSA-N	-1	1	228.204	-0.721	20	30		BBEDMM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C(C)C#N	ZINC000831066984	587584802	/nfs/dbraw/zinc/58/48/02/587584802.db2.gz	MHEWWBHCEATSAC-WDSKDSINSA-N	-1	1	228.204	-0.721	20	30		BBEDMM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc[nH]n1	ZINC000831087639	587585624	/nfs/dbraw/zinc/58/56/24/587585624.db2.gz	PATPEMWOZNUJJR-SSDOTTSWSA-N	-1	1	249.230	-0.262	20	30		BBEDMM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc[nH]n1	ZINC000831087640	587585837	/nfs/dbraw/zinc/58/58/37/587585837.db2.gz	PATPEMWOZNUJJR-ZETCQYMHSA-N	-1	1	249.230	-0.262	20	30		BBEDMM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc[nH]1	ZINC000831091548	587585754	/nfs/dbraw/zinc/58/57/54/587585754.db2.gz	HKVHIIOYUKYVHE-SSDOTTSWSA-N	-1	1	249.230	-0.262	20	30		BBEDMM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc[nH]1	ZINC000831091549	587585701	/nfs/dbraw/zinc/58/57/01/587585701.db2.gz	HKVHIIOYUKYVHE-ZETCQYMHSA-N	-1	1	249.230	-0.262	20	30		BBEDMM
N=C(N)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000831161958	587588339	/nfs/dbraw/zinc/58/83/39/587588339.db2.gz	RKGQOOXNVVBMPS-UHFFFAOYSA-N	-1	1	222.208	-0.012	20	30		BBEDMM
C[C@@H]1CC(NC(=O)c2cc(=O)n(C)[n-]2)=NO1	ZINC000831399936	587603388	/nfs/dbraw/zinc/60/33/88/587603388.db2.gz	UWJFVEFMSBHRCT-RXMQYKEDSA-N	-1	1	224.220	-0.022	20	30		BBEDMM
C[C@H]1CC(NC(=O)c2cc(=O)n(C)[n-]2)=NO1	ZINC000831399937	587603547	/nfs/dbraw/zinc/60/35/47/587603547.db2.gz	UWJFVEFMSBHRCT-YFKPBYRVSA-N	-1	1	224.220	-0.022	20	30		BBEDMM
C=C[C@H](O)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000832125304	587645692	/nfs/dbraw/zinc/64/56/92/587645692.db2.gz	AQOIJFFEIWMKCX-BQBZGAKWSA-N	-1	1	225.252	-0.692	20	30		BBEDMM
C=C[C@@H](O)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000832125305	587645623	/nfs/dbraw/zinc/64/56/23/587645623.db2.gz	AQOIJFFEIWMKCX-NKWVEPMBSA-N	-1	1	225.252	-0.692	20	30		BBEDMM
C=C[C@@H](O)C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000832125306	587645605	/nfs/dbraw/zinc/64/56/05/587645605.db2.gz	AQOIJFFEIWMKCX-RNFRBKRXSA-N	-1	1	225.252	-0.692	20	30		BBEDMM
C=C[C@H](O)C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000832125307	587645659	/nfs/dbraw/zinc/64/56/59/587645659.db2.gz	AQOIJFFEIWMKCX-RQJHMYQMSA-N	-1	1	225.252	-0.692	20	30		BBEDMM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])N(C)C	ZINC000832797805	584912460	/nfs/dbraw/zinc/91/24/60/584912460.db2.gz	BEGMDOVZCKVKPX-ZETCQYMHSA-N	-1	1	213.237	-0.627	20	30		BBEDMM
N#CCN(CC(=O)[O-])C(=O)Cc1ccn[nH]1	ZINC000833066327	587699236	/nfs/dbraw/zinc/69/92/36/587699236.db2.gz	UYSRXTHMBYYHSD-UHFFFAOYSA-N	-1	1	222.204	-0.611	20	30		BBEDMM
C#CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000833360469	587707933	/nfs/dbraw/zinc/70/79/33/587707933.db2.gz	JLPYYFUTHYJLHD-SECBINFHSA-N	-1	1	224.260	-0.373	20	30		BBEDMM
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C#CCCN1CCN(CCNC(=O)[O-])CC1	ZINC000833787286	587732155	/nfs/dbraw/zinc/73/21/55/587732155.db2.gz	KOFLNGCXSWNAGN-UHFFFAOYSA-N	-1	1	225.292	-0.105	20	30		BBEDMM
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CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842348209	588020677	/nfs/dbraw/zinc/02/06/77/588020677.db2.gz	UWXCFBQXIAAFAO-RNFRBKRXSA-N	-1	1	246.244	-0.879	20	30		BBEDMM
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Cc1n[n-]cc1S(=O)(=O)O[C@H]1CNOC1	ZINC000845930980	645389989	/nfs/dbraw/zinc/38/99/89/645389989.db2.gz	LBMSSTJSSTVHOS-LURJTMIESA-N	-1	1	233.249	-0.673	20	30		BBEDMM
C#CCO[N-]C(=O)C(C)(C)CNC(C)=O	ZINC000846653621	588281197	/nfs/dbraw/zinc/28/11/97/588281197.db2.gz	QMBMXCMZCNZASD-UHFFFAOYSA-N	-1	1	212.249	-0.170	20	30		BBEDMM
C[C@@H]1CCC(N=NC2=NC(=O)C(=O)[N-]2)CS1	ZINC000848407552	588378675	/nfs/dbraw/zinc/37/86/75/588378675.db2.gz	RJGIXYXNMDFXHU-RXMQYKEDSA-N	-1	1	240.288	-0.140	20	30		BBEDMM
C[C@H]1CCC(N=NC2=NC(=O)C(=O)[N-]2)CS1	ZINC000848407553	588378466	/nfs/dbraw/zinc/37/84/66/588378466.db2.gz	RJGIXYXNMDFXHU-YFKPBYRVSA-N	-1	1	240.288	-0.140	20	30		BBEDMM
C#CCNC(=O)CCN(C)Cc1n[n-]c(=O)o1	ZINC000852187302	588670335	/nfs/dbraw/zinc/67/03/35/588670335.db2.gz	PCJJUCYLWQYBPZ-UHFFFAOYSA-N	-1	1	238.247	-0.654	20	30		BBEDMM
C#CCCN(CCOC)Cc1nc(=O)n(C)[n-]1	ZINC000852751320	588700346	/nfs/dbraw/zinc/70/03/46/588700346.db2.gz	XLNRHWDYABIZRY-UHFFFAOYSA-N	-1	1	238.291	-0.420	20	30		BBEDMM
CC(CSCCF)N=NC1=NC(=O)C(=O)[N-]1	ZINC000853324994	588733125	/nfs/dbraw/zinc/73/31/25/588733125.db2.gz	AWTHFFUFNMUFSI-UHFFFAOYSA-N	-1	1	246.267	-0.333	20	30		BBEDMM
C#CC1CCC(N=NC2=NC(=O)C(=O)[N-]2)CC1	ZINC000853325304	588732989	/nfs/dbraw/zinc/73/29/89/588732989.db2.gz	GKYDQOYKPUIGLG-UHFFFAOYSA-N	-1	1	232.243	-0.232	20	30		BBEDMM
CC[C@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CO1	ZINC000853325347	588732998	/nfs/dbraw/zinc/73/29/98/588732998.db2.gz	HHUZFHFSAKPFDG-LURJTMIESA-N	-1	1	224.220	-0.857	20	30		BBEDMM
CC[C@@H]1CC(N=NC2=NC(=O)C(=O)[N-]2)CO1	ZINC000853325348	588733000	/nfs/dbraw/zinc/73/30/00/588733000.db2.gz	HHUZFHFSAKPFDG-ZCFIWIBFSA-N	-1	1	224.220	-0.857	20	30		BBEDMM
O=C1N=C(N=NC2COC3(CCC3)C2)[N-]C1=O	ZINC000853325745	588732972	/nfs/dbraw/zinc/73/29/72/588732972.db2.gz	MECPMQAWLTUZMO-UHFFFAOYSA-N	-1	1	236.231	-0.713	20	30		BBEDMM
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COC1(C(C)N=NC2=NC(=O)C(=O)[N-]2)CCC1	ZINC000853326348	588733014	/nfs/dbraw/zinc/73/30/14/588733014.db2.gz	XMPJPAOSUDUUHI-UHFFFAOYSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(CC(C)(C)C#N)N=NC1=NC(=O)C(=O)[N-]1	ZINC000853326371	588733106	/nfs/dbraw/zinc/73/31/06/588733106.db2.gz	XZELRBBHACUWIV-UHFFFAOYSA-N	-1	1	235.247	-0.096	20	30		BBEDMM
CC(C)(C)n1nnc(C=NN=c2[n-]nc[nH]2)n1	ZINC000853345604	588735827	/nfs/dbraw/zinc/73/58/27/588735827.db2.gz	FOVASAITJSHRIX-UHFFFAOYSA-N	-1	1	235.255	-0.008	20	30		BBEDMM
C#C[C@H](CO)NC(=O)c1ncc(C)cc1[O-]	ZINC000854774459	588807559	/nfs/dbraw/zinc/80/75/59/588807559.db2.gz	OFHOOMCJMXPWDN-MRVPVSSYSA-N	-1	1	220.228	-0.180	20	30		BBEDMM
C#C[C@@H](CO)NC(=O)c1ncc(C)cc1[O-]	ZINC000854774460	583092036	/nfs/dbraw/zinc/09/20/36/583092036.db2.gz	OFHOOMCJMXPWDN-QMMMGPOBSA-N	-1	1	220.228	-0.180	20	30		BBEDMM
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N#C[C@H](CO)[N-]C(=O)C(F)(F)C1(O)CCC1	ZINC000854871487	588814802	/nfs/dbraw/zinc/81/48/02/588814802.db2.gz	XWZWPJKTAXQABG-ZCFIWIBFSA-N	-1	1	234.202	-0.463	20	30		BBEDMM
C=CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000855382197	588829899	/nfs/dbraw/zinc/82/98/99/588829899.db2.gz	QJFWCZRVAQWOGM-UHFFFAOYSA-N	-1	1	237.259	-0.381	20	30		BBEDMM
C#CCO[N-]C(=O)CCc1cnn(C)n1	ZINC000855606015	588841461	/nfs/dbraw/zinc/84/14/61/588841461.db2.gz	FFUBKDZCAWYBMH-UHFFFAOYSA-N	-1	1	208.221	-0.571	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@H]1CCCc2nn[nH]c21	ZINC000855606388	583108250	/nfs/dbraw/zinc/10/82/50/583108250.db2.gz	GSKRGHBHZKTVGO-SSDOTTSWSA-N	-1	1	220.232	-0.094	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H]1CCCc2nn[nH]c21	ZINC000855606389	583108818	/nfs/dbraw/zinc/10/88/18/583108818.db2.gz	GSKRGHBHZKTVGO-ZETCQYMHSA-N	-1	1	220.232	-0.094	20	30		BBEDMM
C#CCO[N-]C(=O)C1CN(CC(F)F)C1	ZINC000855606413	588841249	/nfs/dbraw/zinc/84/12/49/588841249.db2.gz	HQGCNVFIRYQWLO-UHFFFAOYSA-N	-1	1	218.203	-0.136	20	30		BBEDMM
C#CCO[N-]C(=O)Cc1cn(C)nc1C	ZINC000855606777	588841491	/nfs/dbraw/zinc/84/14/91/588841491.db2.gz	PCLPGUNSCDBNAG-UHFFFAOYSA-N	-1	1	207.233	-0.048	20	30		BBEDMM
C#CCO[N-]C(=O)Cc1cnn(C)c1C	ZINC000855607050	583108529	/nfs/dbraw/zinc/10/85/29/583108529.db2.gz	VOOYBDRJIXFPOE-UHFFFAOYSA-N	-1	1	207.233	-0.048	20	30		BBEDMM
C#CCO[N-]C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O	ZINC000855607221	588841687	/nfs/dbraw/zinc/84/16/87/588841687.db2.gz	ZNWDXRYSSOQHJZ-HTQZYQBOSA-N	-1	1	233.289	-0.263	20	30		BBEDMM
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C#CCO[N-]C(=O)[C@H](C)[C@H](C)S(C)(=O)=O	ZINC000855607223	588841515	/nfs/dbraw/zinc/84/15/15/588841515.db2.gz	ZNWDXRYSSOQHJZ-SFYZADRCSA-N	-1	1	233.289	-0.263	20	30		BBEDMM
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C#CC[C@H](COC)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000858859228	588979774	/nfs/dbraw/zinc/97/97/74/588979774.db2.gz	FDIDOWKYYASEMR-SSDOTTSWSA-N	-1	1	247.258	-0.118	20	30		BBEDMM
C#CC[C@@H](COC)Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000858859229	588979871	/nfs/dbraw/zinc/97/98/71/588979871.db2.gz	FDIDOWKYYASEMR-ZETCQYMHSA-N	-1	1	247.258	-0.118	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@H]1CCCCO1	ZINC000863106165	589256661	/nfs/dbraw/zinc/25/66/61/589256661.db2.gz	OKLYEJZKORSNDK-SSDOTTSWSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
CC(N=NC1=NC(=O)C(=O)[N-]1)[C@@H]1CCCCO1	ZINC000863106166	589256771	/nfs/dbraw/zinc/25/67/71/589256771.db2.gz	OKLYEJZKORSNDK-ZETCQYMHSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
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CCC(N=NC1=NCC(=O)[N-]1)[C@@H]1CCOC1	ZINC000863175018	589268225	/nfs/dbraw/zinc/26/82/25/589268225.db2.gz	NOHXOLNSDXXOOZ-SSDOTTSWSA-N	-1	1	224.264	-0.136	20	30		BBEDMM
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C[C@H]1C[N@@H+](C2CC2)CC1N=NC1=NCC(=O)[N-]1	ZINC000863175317	589268058	/nfs/dbraw/zinc/26/80/58/589268058.db2.gz	AHQXVZHKJIIHEV-ZETCQYMHSA-N	-1	1	235.291	-0.468	20	30		BBEDMM
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CC[C@@H]1COCC1N=NC1=NCC(=O)[N-]1	ZINC000863176236	589268941	/nfs/dbraw/zinc/26/89/41/589268941.db2.gz	JWQQYFPFFNSZJA-ZCFIWIBFSA-N	-1	1	210.237	-0.526	20	30		BBEDMM
C[C@H]1OCC(N=NC2=NCC(=O)[N-]2)[C@H]1C	ZINC000863176345	589268492	/nfs/dbraw/zinc/26/84/92/589268492.db2.gz	OATIXHLTGVDJPJ-NTSWFWBYSA-N	-1	1	210.237	-0.527	20	30		BBEDMM
C[C@H]1OCC(N=NC2=NCC(=O)[N-]2)[C@@H]1C	ZINC000863176346	589268871	/nfs/dbraw/zinc/26/88/71/589268871.db2.gz	OATIXHLTGVDJPJ-PHDIDXHHSA-N	-1	1	210.237	-0.527	20	30		BBEDMM
C[C@@H]1OCC(N=NC2=NCC(=O)[N-]2)[C@@H]1C	ZINC000863176347	589268719	/nfs/dbraw/zinc/26/87/19/589268719.db2.gz	OATIXHLTGVDJPJ-RITPCOANSA-N	-1	1	210.237	-0.527	20	30		BBEDMM
C[C@@H]1C(N=NC2=NCC(=O)[N-]2)CO[C@H]1C	ZINC000863176348	589268703	/nfs/dbraw/zinc/26/87/03/589268703.db2.gz	OATIXHLTGVDJPJ-WDSKDSINSA-N	-1	1	210.237	-0.527	20	30		BBEDMM
CC[C@@H]1CC(N=NC2=NCC(=O)[N-]2)CO1	ZINC000863176485	589268621	/nfs/dbraw/zinc/26/86/21/589268621.db2.gz	SEDNYESFJUDOHB-SSDOTTSWSA-N	-1	1	210.237	-0.383	20	30		BBEDMM
CC[C@H]1CC(N=NC2=NCC(=O)[N-]2)CO1	ZINC000863176486	589268711	/nfs/dbraw/zinc/26/87/11/589268711.db2.gz	SEDNYESFJUDOHB-ZETCQYMHSA-N	-1	1	210.237	-0.383	20	30		BBEDMM
O=C1CN=C(NN=C2C[N@H+]3C[C@@H]2CCC3)N1	ZINC000863176564	589268655	/nfs/dbraw/zinc/26/86/55/589268655.db2.gz	WBRDRPXSQYLAGR-ZETCQYMHSA-N	-1	1	221.264	-0.857	20	30		BBEDMM
CS[C@H]1CCC1N=NC1=NCC(=O)[N-]1	ZINC000863176613	589268763	/nfs/dbraw/zinc/26/87/63/589268763.db2.gz	YDMQLSMFZYHKMZ-LURJTMIESA-N	-1	1	212.278	-0.057	20	30		BBEDMM
CS[C@@H]1CCC1N=NC1=NCC(=O)[N-]1	ZINC000863176614	589268628	/nfs/dbraw/zinc/26/86/28/589268628.db2.gz	YDMQLSMFZYHKMZ-ZCFIWIBFSA-N	-1	1	212.278	-0.057	20	30		BBEDMM
C[C@H]1O[C@@H](C)CC1N=NC1=NCC(=O)[N-]1	ZINC000863176703	589268625	/nfs/dbraw/zinc/26/86/25/589268625.db2.gz	ALWWCLKKDRNWIW-NTSWFWBYSA-N	-1	1	210.237	-0.385	20	30		BBEDMM
C[C@@H]1CC(N=NC2=NCC(=O)[N-]2)[C@@H](C)O1	ZINC000863176704	589268502	/nfs/dbraw/zinc/26/85/02/589268502.db2.gz	ALWWCLKKDRNWIW-PHDIDXHHSA-N	-1	1	210.237	-0.385	20	30		BBEDMM
C[C@@H]1CC(N=NC2=NCC(=O)[N-]2)[C@H](C)O1	ZINC000863176705	589267705	/nfs/dbraw/zinc/26/77/05/589267705.db2.gz	ALWWCLKKDRNWIW-RITPCOANSA-N	-1	1	210.237	-0.385	20	30		BBEDMM
C[C@H]1CC(N=NC2=NCC(=O)[N-]2)[C@H](C)O1	ZINC000863176706	589267429	/nfs/dbraw/zinc/26/74/29/589267429.db2.gz	ALWWCLKKDRNWIW-WDSKDSINSA-N	-1	1	210.237	-0.385	20	30		BBEDMM
C[C@H]1COCCC1N=NC1=NCC(=O)[N-]1	ZINC000863176718	589268670	/nfs/dbraw/zinc/26/86/70/589268670.db2.gz	AXSTVYKWRJOZFB-LURJTMIESA-N	-1	1	210.237	-0.526	20	30		BBEDMM
C[C@@H]1COCCC1N=NC1=NCC(=O)[N-]1	ZINC000863176719	589268810	/nfs/dbraw/zinc/26/88/10/589268810.db2.gz	AXSTVYKWRJOZFB-ZCFIWIBFSA-N	-1	1	210.237	-0.526	20	30		BBEDMM
CO[C@@](C)(CN=NC1=NCC(=O)[N-]1)C1CC1	ZINC000863176746	589268713	/nfs/dbraw/zinc/26/87/13/589268713.db2.gz	BWYFHOSCQTXPLD-JTQLQIEISA-N	-1	1	224.264	-0.137	20	30		BBEDMM
CO[C@](C)(CN=NC1=NCC(=O)[N-]1)C1CC1	ZINC000863176747	589268912	/nfs/dbraw/zinc/26/89/12/589268912.db2.gz	BWYFHOSCQTXPLD-SNVBAGLBSA-N	-1	1	224.264	-0.137	20	30		BBEDMM
CCO[C@@H]1CC(N=NC2=NCC(=O)[N-]2)[C@H]1OC	ZINC000863176849	589268847	/nfs/dbraw/zinc/26/88/47/589268847.db2.gz	FFXZKCOBWHNXGK-VXNVDRBHSA-N	-1	1	240.263	-0.758	20	30		BBEDMM
CC(C)C(Cn1cccn1)N=NC1=NCC(=O)[N-]1	ZINC000863176913	589268665	/nfs/dbraw/zinc/26/86/65/589268665.db2.gz	GJYUXXSNUCUYBZ-UHFFFAOYSA-N	-1	1	248.290	-0.030	20	30		BBEDMM
C[C@H]1SCCC1N=NC1=NCC(=O)[N-]1	ZINC000863177180	589268983	/nfs/dbraw/zinc/26/89/83/589268983.db2.gz	KRGHPWJFOVYXDF-RXMQYKEDSA-N	-1	1	212.278	-0.057	20	30		BBEDMM
C[C@@H]1SCCC1N=NC1=NCC(=O)[N-]1	ZINC000863177181	589268728	/nfs/dbraw/zinc/26/87/28/589268728.db2.gz	KRGHPWJFOVYXDF-YFKPBYRVSA-N	-1	1	212.278	-0.057	20	30		BBEDMM
CC1(C)CC(N=NC2=NCC(=O)[N-]2)CO1	ZINC000863177218	589268578	/nfs/dbraw/zinc/26/85/78/589268578.db2.gz	LEGPWQQETBDONA-UHFFFAOYSA-N	-1	1	210.237	-0.383	20	30		BBEDMM
CC(N=NC1=NCC(=O)[N-]1)C(C)(C)n1cncn1	ZINC000863177351	583980430	/nfs/dbraw/zinc/98/04/30/583980430.db2.gz	NGSFSFWTJHKMTE-UHFFFAOYSA-N	-1	1	249.278	-0.536	20	30		BBEDMM
C[C@@H]1CSCC1N=NC1=NCC(=O)[N-]1	ZINC000863177491	589268906	/nfs/dbraw/zinc/26/89/06/589268906.db2.gz	PDJYYPBKLQMGNU-RXMQYKEDSA-N	-1	1	212.278	-0.199	20	30		BBEDMM
C[C@H]1CSCC1N=NC1=NCC(=O)[N-]1	ZINC000863177492	589268817	/nfs/dbraw/zinc/26/88/17/589268817.db2.gz	PDJYYPBKLQMGNU-YFKPBYRVSA-N	-1	1	212.278	-0.199	20	30		BBEDMM
CON1CCC(N=NC2=NCC(=O)[N-]2)CC1	ZINC000863177519	589268843	/nfs/dbraw/zinc/26/88/43/589268843.db2.gz	PTGWSHPOKWTAOB-UHFFFAOYSA-N	-1	1	225.252	-0.925	20	30		BBEDMM
CC1(C)COCC1N=NC1=NCC(=O)[N-]1	ZINC000863177563	589268535	/nfs/dbraw/zinc/26/85/35/589268535.db2.gz	QGGVVZHXTALRKN-UHFFFAOYSA-N	-1	1	210.237	-0.526	20	30		BBEDMM
CC1(C)NC(=O)CCC1N=NC1=NCC(=O)[N-]1	ZINC000863177683	589268741	/nfs/dbraw/zinc/26/87/41/589268741.db2.gz	URWGHWBYYVZRJL-UHFFFAOYSA-N	-1	1	237.263	-0.894	20	30		BBEDMM
CC(Cn1cccn1)N=NC1=NCC(=O)[N-]1	ZINC000863177751	589268699	/nfs/dbraw/zinc/26/86/99/589268699.db2.gz	VWMCPOYTDMMVGU-UHFFFAOYSA-N	-1	1	220.236	-0.666	20	30		BBEDMM
COCCC(COC)N=NC1=NCC(=O)[N-]1	ZINC000863177765	589268530	/nfs/dbraw/zinc/26/85/30/589268530.db2.gz	VZUCYZSFTUFJQV-UHFFFAOYSA-N	-1	1	228.252	-0.899	20	30		BBEDMM
CC1(C)OCCC1N=NC1=NCC(=O)[N-]1	ZINC000863177812	589268930	/nfs/dbraw/zinc/26/89/30/589268930.db2.gz	XAMTVTJUJJGAPI-UHFFFAOYSA-N	-1	1	210.237	-0.383	20	30		BBEDMM
N#Cc1cnn(C(O)c2coc(=O)[n-]2)c1N	ZINC000863860798	589323383	/nfs/dbraw/zinc/32/33/83/589323383.db2.gz	NUQHRKVVBGOFJV-YFKPBYRVSA-N	-1	1	221.176	-0.914	20	30		BBEDMM
C=C1CC(C)(C(=O)NN2CC(=O)[N-]C2=O)C1	ZINC000864897209	589400179	/nfs/dbraw/zinc/40/01/79/589400179.db2.gz	PEWAFSBCGXOWID-UHFFFAOYSA-N	-1	1	223.232	-0.074	20	30		BBEDMM
C#CCN(CC)C(=O)CCc1nn[n-]n1	ZINC000864990713	589403576	/nfs/dbraw/zinc/40/35/76/589403576.db2.gz	VZONAOBSIPAKGM-UHFFFAOYSA-N	-1	1	207.237	-0.386	20	30		BBEDMM
CC(C)(C)C#CC(=O)NCc1nn[n-]n1	ZINC000865709521	589457820	/nfs/dbraw/zinc/45/78/20/589457820.db2.gz	XAVDSSZXAGXKKK-UHFFFAOYSA-N	-1	1	207.237	-0.135	20	30		BBEDMM
C#CCSCCNC(=O)CCc1nn[n-]n1	ZINC000866013449	589472724	/nfs/dbraw/zinc/47/27/24/589472724.db2.gz	FLOAYTOXJWVZJO-UHFFFAOYSA-N	-1	1	239.304	-0.385	20	30		BBEDMM
C#CCN(CC#CC)C(=O)CCc1nn[n-]n1	ZINC000866110389	589476754	/nfs/dbraw/zinc/47/67/54/589476754.db2.gz	VMSXSAXMWUMDSL-UHFFFAOYSA-N	-1	1	231.259	-0.383	20	30		BBEDMM
C#CCN(CC#C)C(=O)CCc1nn[n-]n1	ZINC000866242029	589482530	/nfs/dbraw/zinc/48/25/30/589482530.db2.gz	IGKMZKBWXGUQRZ-UHFFFAOYSA-N	-1	1	217.232	-0.773	20	30		BBEDMM
C[C@@H](CC#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000866674395	589507539	/nfs/dbraw/zinc/50/75/39/589507539.db2.gz	YJVLAYFIFRIDAF-LURJTMIESA-N	-1	1	239.322	-0.149	20	30		BBEDMM
C[C@H](CC#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000866674396	589507316	/nfs/dbraw/zinc/50/73/16/589507316.db2.gz	YJVLAYFIFRIDAF-ZCFIWIBFSA-N	-1	1	239.322	-0.149	20	30		BBEDMM
C#CCC[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000866784697	589518485	/nfs/dbraw/zinc/51/84/85/589518485.db2.gz	DXTWEZHWWSQSJP-UHFFFAOYSA-N	-1	1	224.307	-0.428	20	30		BBEDMM
C#CCC[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000866785106	589518600	/nfs/dbraw/zinc/51/86/00/589518600.db2.gz	PMJPSDBUMHYJCX-CYBMUJFWSA-N	-1	1	238.334	-0.038	20	30		BBEDMM
C#CCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000866785107	589518845	/nfs/dbraw/zinc/51/88/45/589518845.db2.gz	PMJPSDBUMHYJCX-ZDUSSCGKSA-N	-1	1	238.334	-0.038	20	30		BBEDMM
C=C(Cl)C[N-]S(=O)(=O)c1nncn1C	ZINC000866813174	589519132	/nfs/dbraw/zinc/51/91/32/589519132.db2.gz	NRVSSWZWYMOBHJ-UHFFFAOYSA-N	-1	1	236.684	-0.154	20	30		BBEDMM
CC#CCC[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000867067220	587548914	/nfs/dbraw/zinc/54/89/14/587548914.db2.gz	XRMWUYBUFUZJMU-UHFFFAOYSA-N	-1	1	238.334	-0.038	20	30		BBEDMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCC#N	ZINC000867202513	587844990	/nfs/dbraw/zinc/84/49/90/587844990.db2.gz	WSDUJFJQCYNZLC-CYBMUJFWSA-N	-1	1	239.322	-0.148	20	30		BBEDMM
CC[S@](C)(=O)=NS(=O)(=O)[N-]CCC#N	ZINC000867202514	587844805	/nfs/dbraw/zinc/84/48/05/587844805.db2.gz	WSDUJFJQCYNZLC-ZDUSSCGKSA-N	-1	1	239.322	-0.148	20	30		BBEDMM
C#C[C@H](CO)[N-]S(=O)(=O)c1cc(C)ns1	ZINC000867342062	588156971	/nfs/dbraw/zinc/15/69/71/588156971.db2.gz	VTOJAEJUZYSAFG-SSDOTTSWSA-N	-1	1	246.313	-0.276	20	30		BBEDMM
C#C[C@@H](CO)[N-]S(=O)(=O)c1cc(C)ns1	ZINC000867342063	588156774	/nfs/dbraw/zinc/15/67/74/588156774.db2.gz	VTOJAEJUZYSAFG-ZETCQYMHSA-N	-1	1	246.313	-0.276	20	30		BBEDMM
C#C[C@H](CO)[N-]S(=O)(=O)c1c[nH]nc1Cl	ZINC000867342080	588157056	/nfs/dbraw/zinc/15/70/56/588157056.db2.gz	WAOHGOZPWIXADT-RXMQYKEDSA-N	-1	1	249.679	-0.665	20	30		BBEDMM
C#C[C@@H](CO)[N-]S(=O)(=O)c1c[nH]nc1Cl	ZINC000867342081	588156884	/nfs/dbraw/zinc/15/68/84/588156884.db2.gz	WAOHGOZPWIXADT-YFKPBYRVSA-N	-1	1	249.679	-0.665	20	30		BBEDMM
C#C[C@H](CO)[N-]S(=O)(=O)c1c[nH]c(=O)s1	ZINC000867342122	588156869	/nfs/dbraw/zinc/15/68/69/588156869.db2.gz	XCXVYILQRFZENG-RXMQYKEDSA-N	-1	1	248.285	-0.879	20	30		BBEDMM
C#C[C@@H](CO)[N-]S(=O)(=O)c1c[nH]c(=O)s1	ZINC000867342123	588156896	/nfs/dbraw/zinc/15/68/96/588156896.db2.gz	XCXVYILQRFZENG-YFKPBYRVSA-N	-1	1	248.285	-0.879	20	30		BBEDMM
C#CCN(C(=O)CCc1nn[n-]n1)C1CC1	ZINC000867425144	588267394	/nfs/dbraw/zinc/26/73/94/588267394.db2.gz	BNIVZIQEPUZKDO-UHFFFAOYSA-N	-1	1	219.248	-0.244	20	30		BBEDMM
O=S(=O)([N-]CC#CCO)c1c[nH]nc1Cl	ZINC000867467255	589521223	/nfs/dbraw/zinc/52/12/23/589521223.db2.gz	IWTMRXLMXNCCEV-UHFFFAOYSA-N	-1	1	249.679	-0.663	20	30		BBEDMM
C#C[C@@H](NC(=O)CCc1nn[n-]n1)[C@@H]1CCCO1	ZINC000867500101	589522795	/nfs/dbraw/zinc/52/27/95/589522795.db2.gz	RZUDOIAQSUERJG-BDAKNGLRSA-N	-1	1	249.274	-0.571	20	30		BBEDMM
C#C[C@H](NC(=O)CCc1nn[n-]n1)[C@H]1CCCO1	ZINC000867500102	589522755	/nfs/dbraw/zinc/52/27/55/589522755.db2.gz	RZUDOIAQSUERJG-DTWKUNHWSA-N	-1	1	249.274	-0.571	20	30		BBEDMM
C#C[C@H](NC(=O)CCc1nn[n-]n1)[C@@H]1CCCO1	ZINC000867500103	589523099	/nfs/dbraw/zinc/52/30/99/589523099.db2.gz	RZUDOIAQSUERJG-IUCAKERBSA-N	-1	1	249.274	-0.571	20	30		BBEDMM
C#C[C@@H](NC(=O)CCc1nn[n-]n1)[C@H]1CCCO1	ZINC000867500104	589523106	/nfs/dbraw/zinc/52/31/06/589523106.db2.gz	RZUDOIAQSUERJG-RKDXNWHRSA-N	-1	1	249.274	-0.571	20	30		BBEDMM
C=C[C@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000867532927	589524796	/nfs/dbraw/zinc/52/47/96/589524796.db2.gz	FVIRUEINXIXZFF-ZCFIWIBFSA-N	-1	1	242.322	-0.905	20	30		BBEDMM
C#C[C@H](CC)NC(=O)CCc1nn[n-]n1	ZINC000867772365	589533003	/nfs/dbraw/zinc/53/30/03/589533003.db2.gz	PURQTAYOEJYTTC-SSDOTTSWSA-N	-1	1	207.237	-0.340	20	30		BBEDMM
C#C[C@@H](CC)NC(=O)CCc1nn[n-]n1	ZINC000867772366	589532874	/nfs/dbraw/zinc/53/28/74/589532874.db2.gz	PURQTAYOEJYTTC-ZETCQYMHSA-N	-1	1	207.237	-0.340	20	30		BBEDMM
C#C[C@@H](C)N(C)C(=O)CCc1nn[n-]n1	ZINC000867839463	589536389	/nfs/dbraw/zinc/53/63/89/589536389.db2.gz	BKJXNKXYZJXGPR-SSDOTTSWSA-N	-1	1	207.237	-0.388	20	30		BBEDMM
C#C[C@H](C)N(C)C(=O)CCc1nn[n-]n1	ZINC000867839464	589536371	/nfs/dbraw/zinc/53/63/71/589536371.db2.gz	BKJXNKXYZJXGPR-ZETCQYMHSA-N	-1	1	207.237	-0.388	20	30		BBEDMM
C#C[C@@H](NC(=O)CCc1nn[n-]n1)C(C)C	ZINC000868021849	589544720	/nfs/dbraw/zinc/54/47/20/589544720.db2.gz	ORQKQQZKLYOHNM-MRVPVSSYSA-N	-1	1	221.264	-0.094	20	30		BBEDMM
C#C[C@H](NC(=O)CCc1nn[n-]n1)C(C)C	ZINC000868021850	589544649	/nfs/dbraw/zinc/54/46/49/589544649.db2.gz	ORQKQQZKLYOHNM-QMMMGPOBSA-N	-1	1	221.264	-0.094	20	30		BBEDMM
C=C[C@H](C)ONC(=O)CCc1nn[n-]n1	ZINC000869153852	589590440	/nfs/dbraw/zinc/59/04/40/589590440.db2.gz	HOWNMUKWKLTFBU-LURJTMIESA-N	-1	1	211.225	-0.245	20	30		BBEDMM
C=C[C@@H](C)ONC(=O)CCc1nn[n-]n1	ZINC000869153854	589590465	/nfs/dbraw/zinc/59/04/65/589590465.db2.gz	HOWNMUKWKLTFBU-ZCFIWIBFSA-N	-1	1	211.225	-0.245	20	30		BBEDMM
C=C(C)CONC(=O)CCc1nn[n-]n1	ZINC000869154578	589591057	/nfs/dbraw/zinc/59/10/57/589591057.db2.gz	VVYPJAGJSHCSGO-UHFFFAOYSA-N	-1	1	211.225	-0.244	20	30		BBEDMM
C#CCO[N-]C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1	ZINC000869254080	589594308	/nfs/dbraw/zinc/59/43/08/589594308.db2.gz	NFGUJWALCGLXCA-BDAKNGLRSA-N	-1	1	240.259	-0.520	20	30		BBEDMM
C#CC[C@H](COC)NC(=O)CCc1nn[n-]n1	ZINC000869498069	589609916	/nfs/dbraw/zinc/60/99/16/589609916.db2.gz	HCWBMYDMVLTWAK-MRVPVSSYSA-N	-1	1	237.263	-0.713	20	30		BBEDMM
C#CC[C@@H](COC)NC(=O)CCc1nn[n-]n1	ZINC000869498070	589609857	/nfs/dbraw/zinc/60/98/57/589609857.db2.gz	HCWBMYDMVLTWAK-QMMMGPOBSA-N	-1	1	237.263	-0.713	20	30		BBEDMM
CC1(C)CC(N=NC2=NC(=O)C(=O)[N-]2)CCO1	ZINC000872361171	589919549	/nfs/dbraw/zinc/91/95/49/589919549.db2.gz	PXRUFRAYVLSHCF-UHFFFAOYSA-N	-1	1	238.247	-0.467	20	30		BBEDMM
O=C1N=C(N=NC2CCC[C@@H]2F)[N-]C1=O	ZINC000872361173	589919324	/nfs/dbraw/zinc/91/93/24/589919324.db2.gz	PZLAHJPTPWPSRP-BYPYZUCNSA-N	-1	1	212.184	-0.534	20	30		BBEDMM
O=C1N=C(N=NC2CCC[C@H]2F)[N-]C1=O	ZINC000872361174	636579937	/nfs/dbraw/zinc/57/99/37/636579937.db2.gz	PZLAHJPTPWPSRP-SCSAIBSYSA-N	-1	1	212.184	-0.534	20	30		BBEDMM
O=C1N=C(N=NC2CC[C@@H]3C[C@@H]32)[N-]C1=O	ZINC000872361274	589919572	/nfs/dbraw/zinc/91/95/72/589919572.db2.gz	UKUPIDIEJDJFAS-UHNVWZDZSA-N	-1	1	206.205	-0.626	20	30		BBEDMM
C#CCN(Cc1nc(=O)n(C)[n-]1)C1CSC1	ZINC000878910317	590648004	/nfs/dbraw/zinc/64/80/04/590648004.db2.gz	RTQMDCKJIFKOHY-UHFFFAOYSA-N	-1	1	238.316	-0.341	20	30		BBEDMM
C#CCSCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC000885898585	592106288	/nfs/dbraw/zinc/10/62/88/592106288.db2.gz	OQMJBGIYYIHXJF-UHFFFAOYSA-N	-1	1	241.272	-0.482	20	30		BBEDMM
C#CC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC000890523515	582464700	/nfs/dbraw/zinc/46/47/00/582464700.db2.gz	DONGVKHEWPZBMY-UHFFFAOYSA-N	-1	1	218.212	-0.393	20	30		BBEDMM
C#CC1(O)CN(C(=O)c2ncc(C)cc2[O-])C1	ZINC000890524849	582465318	/nfs/dbraw/zinc/46/53/18/582465318.db2.gz	UELKCRVEVHOMKP-UHFFFAOYSA-N	-1	1	232.239	-0.084	20	30		BBEDMM
C#CC1(O)CN(C(=O)c2cncc([O-])c2)C1	ZINC000890525521	582465717	/nfs/dbraw/zinc/46/57/17/582465717.db2.gz	ZFNYIHYHJZTLMH-UHFFFAOYSA-N	-1	1	218.212	-0.393	20	30		BBEDMM
C#CCOCCC(=O)N(C)c1nn[n-]n1	ZINC000892954357	583019147	/nfs/dbraw/zinc/01/91/47/583019147.db2.gz	IQUJHODJYYSSRL-UHFFFAOYSA-N	-1	1	209.209	-0.798	20	30		BBEDMM
CO[N-]C(=O)CNCc1cccc(C#N)n1	ZINC000896925383	583858025	/nfs/dbraw/zinc/85/80/25/583858025.db2.gz	WXINSQJGYQNHHZ-UHFFFAOYSA-N	-1	1	220.232	-0.280	20	30		BBEDMM
C=C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000898694613	584153648	/nfs/dbraw/zinc/15/36/48/584153648.db2.gz	KXGWSDWFXUMWJE-UHFFFAOYSA-N	-1	1	235.243	-0.675	20	30		BBEDMM
C#CCO[N-]C(=O)[C@@]1(C)CCNC(=O)C1	ZINC000899136281	584177532	/nfs/dbraw/zinc/17/75/32/584177532.db2.gz	HIJBGAWXWAVBSX-JTQLQIEISA-N	-1	1	210.233	-0.416	20	30		BBEDMM
C#CCO[N-]C(=O)[C@]1(C)CCNC(=O)C1	ZINC000899136282	584177627	/nfs/dbraw/zinc/17/76/27/584177627.db2.gz	HIJBGAWXWAVBSX-SNVBAGLBSA-N	-1	1	210.233	-0.416	20	30		BBEDMM
C#CC1(F)CN(C(=O)CCCc2nn[n-]n2)C1	ZINC000899216073	584182541	/nfs/dbraw/zinc/18/25/41/584182541.db2.gz	QBSXDYZZFVERED-UHFFFAOYSA-N	-1	1	237.238	-0.294	20	30		BBEDMM
C#CCc1c(C)[n-]n(CCS(C)(=O)=O)c1=O	ZINC000899350579	584203957	/nfs/dbraw/zinc/20/39/57/584203957.db2.gz	IJFUYLACUSTOBR-SECBINFHSA-N	-1	1	242.300	-0.111	20	30		BBEDMM
C#CCc1c(C)[n-]n(CCS(C)(=O)=O)c1=O	ZINC000899350580	584204074	/nfs/dbraw/zinc/20/40/74/584204074.db2.gz	IJFUYLACUSTOBR-VIFPVBQESA-N	-1	1	242.300	-0.111	20	30		BBEDMM
C=C1[C@@H](C(=O)[N-]OCC)[C@@H]1C(=O)NOCC	ZINC000900076161	584269516	/nfs/dbraw/zinc/26/95/16/584269516.db2.gz	KAEQNEKJDLKGCV-HTQZYQBOSA-N	-1	1	228.248	-0.076	20	30		BBEDMM
C=C1[C@H](C(=O)[N-]OCC)[C@@H]1C(=O)NOCC	ZINC000900076162	584269782	/nfs/dbraw/zinc/26/97/82/584269782.db2.gz	KAEQNEKJDLKGCV-OCAPTIKFSA-N	-1	1	228.248	-0.076	20	30		BBEDMM
C=C1[C@H](C(=O)NOCC)[C@@H]1C(=O)[N-]OCC	ZINC000900076162	584269781	/nfs/dbraw/zinc/26/97/81/584269781.db2.gz	KAEQNEKJDLKGCV-OCAPTIKFSA-N	-1	1	228.248	-0.076	20	30		BBEDMM
C=C1[C@H](C(=O)[N-]OCC)[C@H]1C(=O)NOCC	ZINC000900076163	584269502	/nfs/dbraw/zinc/26/95/02/584269502.db2.gz	KAEQNEKJDLKGCV-YUMQZZPRSA-N	-1	1	228.248	-0.076	20	30		BBEDMM
C=C1[C@H](C(=O)[N-]OC)[C@@H]1C(=O)NOC	ZINC000900103623	584272160	/nfs/dbraw/zinc/27/21/60/584272160.db2.gz	FHPZLOAQEDHBFH-OLQVQODUSA-N	-1	1	200.194	-0.856	20	30		BBEDMM
C=C1[C@H](C(=O)NOC)[C@@H]1C(=O)[N-]OC	ZINC000900103623	584272159	/nfs/dbraw/zinc/27/21/59/584272159.db2.gz	FHPZLOAQEDHBFH-OLQVQODUSA-N	-1	1	200.194	-0.856	20	30		BBEDMM
C=C1[C@@H](C(=O)[N-]OC)[C@@H]1C(=O)NOC	ZINC000900103624	584272163	/nfs/dbraw/zinc/27/21/63/584272163.db2.gz	FHPZLOAQEDHBFH-PHDIDXHHSA-N	-1	1	200.194	-0.856	20	30		BBEDMM
C=C1[C@H](C(=O)[N-]OC)[C@H]1C(=O)NOC	ZINC000900103625	584272558	/nfs/dbraw/zinc/27/25/58/584272558.db2.gz	FHPZLOAQEDHBFH-WDSKDSINSA-N	-1	1	200.194	-0.856	20	30		BBEDMM
C#CCSCC(=O)NCc1nn[n-]n1	ZINC000900658270	584336827	/nfs/dbraw/zinc/33/68/27/584336827.db2.gz	FANFTFFYVFRLQD-UHFFFAOYSA-N	-1	1	211.250	-0.818	20	30		BBEDMM
C#CCNCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000901034687	584376454	/nfs/dbraw/zinc/37/64/54/584376454.db2.gz	LATUFWVTVAWXRE-UHFFFAOYSA-N	-1	1	244.316	-0.402	20	30		BBEDMM
C[C@@H]1CN=C(NN=Cc2cc(C(=O)[O-])cn2C)N1	ZINC000901215517	584401431	/nfs/dbraw/zinc/40/14/31/584401431.db2.gz	JZVOXPWNTLINFL-SSDOTTSWSA-N	-1	1	249.274	-0.006	20	30		BBEDMM
C[C@H]1CN=C(NN=Cc2cc(C(=O)[O-])cn2C)N1	ZINC000901215518	584401434	/nfs/dbraw/zinc/40/14/34/584401434.db2.gz	JZVOXPWNTLINFL-ZETCQYMHSA-N	-1	1	249.274	-0.006	20	30		BBEDMM
Cn1cc(C(=O)[O-])cc1C=NNC1=NCCN1	ZINC000901252673	584410518	/nfs/dbraw/zinc/41/05/18/584410518.db2.gz	LMDWDMFOCHCNBI-UHFFFAOYSA-N	-1	1	235.247	-0.394	20	30		BBEDMM
CCn1ncc(Cn2ccc(C=N[O-])nc2=O)n1	ZINC000902264475	584545742	/nfs/dbraw/zinc/54/57/42/584545742.db2.gz	KFUMDRILMZUWEC-UHFFFAOYSA-N	-1	1	248.246	-0.289	20	30		BBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nn[n-]n1	ZINC000906648946	638228551	/nfs/dbraw/zinc/22/85/51/638228551.db2.gz	AAXGFQIWVAZEAC-CBAPKCEASA-N	-1	1	237.263	-0.203	20	30		BBEDMM
O=C(NCC#CCO)c1cnc(C2CC2)[n-]c1=O	ZINC000908030469	638549569	/nfs/dbraw/zinc/54/95/69/638549569.db2.gz	VEMBFNSBDBMOHT-UHFFFAOYSA-N	-1	1	247.254	-0.215	20	30		BBEDMM
C#C[C@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000908621307	639037110	/nfs/dbraw/zinc/03/71/10/639037110.db2.gz	UZXUNQSQTFMKQJ-MRVPVSSYSA-N	-1	1	247.254	-0.217	20	30		BBEDMM
C#C[C@@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000908621308	639038177	/nfs/dbraw/zinc/03/81/77/639038177.db2.gz	UZXUNQSQTFMKQJ-QMMMGPOBSA-N	-1	1	247.254	-0.217	20	30		BBEDMM
C=CCN(CC(=O)[O-])C(=O)c1[nH]nnc1C	ZINC000909515473	636135612	/nfs/dbraw/zinc/13/56/12/636135612.db2.gz	UBQWEIFCRITVTC-UHFFFAOYSA-N	-1	1	224.220	-0.174	20	30		BBEDMM
C#CC[C@@H](NC(=O)CCc1cnc[nH]1)C(=O)[O-]	ZINC000910051043	639337155	/nfs/dbraw/zinc/33/71/55/639337155.db2.gz	RCTHBJTYBZETIO-SECBINFHSA-N	-1	1	235.243	-0.065	20	30		BBEDMM
C#CC[C@H](NC(=O)CCc1cnc[nH]1)C(=O)[O-]	ZINC000910051044	639337079	/nfs/dbraw/zinc/33/70/79/639337079.db2.gz	RCTHBJTYBZETIO-VIFPVBQESA-N	-1	1	235.243	-0.065	20	30		BBEDMM
C#CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-]	ZINC000910051536	639337038	/nfs/dbraw/zinc/33/70/38/639337038.db2.gz	XQJKDCIDJNOHIP-SECBINFHSA-N	-1	1	235.243	-0.147	20	30		BBEDMM
C#CC[C@H](NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-]	ZINC000910051537	639337830	/nfs/dbraw/zinc/33/78/30/639337830.db2.gz	XQJKDCIDJNOHIP-VIFPVBQESA-N	-1	1	235.243	-0.147	20	30		BBEDMM
C#CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912528046	640112137	/nfs/dbraw/zinc/11/21/37/640112137.db2.gz	MSYPXMMHDOLTGI-UHFFFAOYSA-N	-1	1	243.244	-0.892	20	30		BBEDMM
C#CCN1CCC[C@H]1C(=O)N(C)c1nn[n-]n1	ZINC000912617447	640125401	/nfs/dbraw/zinc/12/54/01/640125401.db2.gz	TYDVPJMTWTXEKL-QMMMGPOBSA-N	-1	1	234.263	-0.740	20	30		BBEDMM
C=C[C@@](C)(O)CC(=O)N(C)c1nn[n-]n1	ZINC000912617668	640125105	/nfs/dbraw/zinc/12/51/05/640125105.db2.gz	IPLAFHKQTPGDIV-MRVPVSSYSA-N	-1	1	211.225	-0.510	20	30		BBEDMM
C=C[C@](C)(O)CC(=O)N(C)c1nn[n-]n1	ZINC000912617669	640126762	/nfs/dbraw/zinc/12/67/62/640126762.db2.gz	IPLAFHKQTPGDIV-QMMMGPOBSA-N	-1	1	211.225	-0.510	20	30		BBEDMM
CC(C)C#CC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000913498361	640379208	/nfs/dbraw/zinc/37/92/08/640379208.db2.gz	OZTOOFCPEOTHHO-SECBINFHSA-N	-1	1	249.274	-0.241	20	30		BBEDMM
CC(C)C#CC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000913498362	640379122	/nfs/dbraw/zinc/37/91/22/640379122.db2.gz	OZTOOFCPEOTHHO-VIFPVBQESA-N	-1	1	249.274	-0.241	20	30		BBEDMM
C#CCCCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000913499599	640379100	/nfs/dbraw/zinc/37/91/00/640379100.db2.gz	WWNNUFMBPOWIMJ-SECBINFHSA-N	-1	1	249.274	-0.097	20	30		BBEDMM
C#CCCCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000913499600	640379227	/nfs/dbraw/zinc/37/92/27/640379227.db2.gz	WWNNUFMBPOWIMJ-VIFPVBQESA-N	-1	1	249.274	-0.097	20	30		BBEDMM
CON=CC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC000913744910	641464886	/nfs/dbraw/zinc/46/48/86/641464886.db2.gz	JYNFVTUKFJKEHP-UHFFFAOYSA-N	-1	1	238.251	-0.462	20	30		BBEDMM
C=C[C@@H](O)C(=O)N1CCC(c2nn[n-]n2)CC1	ZINC000913746313	641467001	/nfs/dbraw/zinc/46/70/01/641467001.db2.gz	NWTXUEHCJNDJLM-MRVPVSSYSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
C=C[C@H](O)C(=O)N1CCC(c2nn[n-]n2)CC1	ZINC000913746314	641467166	/nfs/dbraw/zinc/46/71/66/641467166.db2.gz	NWTXUEHCJNDJLM-QMMMGPOBSA-N	-1	1	237.263	-0.547	20	30		BBEDMM
CC(C)(C#N)CS(=O)(=O)[N-][C@H]1CCOC1=O	ZINC000913837002	641496566	/nfs/dbraw/zinc/49/65/66/641496566.db2.gz	NBOWZJOCUMGMHF-ZETCQYMHSA-N	-1	1	246.288	-0.229	20	30		BBEDMM
C#CC1(F)CN(C(=O)CCc2nn[n-]n2)C1	ZINC000919956485	642412059	/nfs/dbraw/zinc/41/20/59/642412059.db2.gz	POEYUULQMJRXPH-UHFFFAOYSA-N	-1	1	223.211	-0.684	20	30		BBEDMM
C=CCCOCC(=O)NN1CC(=O)[N-]C1=O	ZINC000920431233	642503569	/nfs/dbraw/zinc/50/35/69/642503569.db2.gz	SONUAPOPGDLTSS-UHFFFAOYSA-N	-1	1	227.220	-0.838	20	30		BBEDMM
CO[N-]C(=O)CNCc1ccc(C#N)o1	ZINC000922829558	644105991	/nfs/dbraw/zinc/10/59/91/644105991.db2.gz	FOWUSGRBUDWHFH-UHFFFAOYSA-N	-1	1	209.205	-0.082	20	30		BBEDMM
N#CCN1CC(NC(=O)c2ncccc2[O-])C1	ZINC001030239038	640702244	/nfs/dbraw/zinc/70/22/44/640702244.db2.gz	AEZYWVUTZBTUIJ-UHFFFAOYSA-N	-1	1	232.243	-0.275	20	30		BBEDMM
N#CCN1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001031629489	642409729	/nfs/dbraw/zinc/40/97/29/642409729.db2.gz	YTMBUROVXKEMSB-UHFFFAOYSA-N	-1	1	246.270	-0.028	20	30		BBEDMM