smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(c2nccnc2C#N)[C@@H](C)CN1C	ZINC001164630593	719153678	/nfs/dbraw/zinc/15/36/78/719153678.db2.gz	JKZCOUTVCKKMGY-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21	ZINC000301686775	719367498	/nfs/dbraw/zinc/36/74/98/719367498.db2.gz	XFLAXDHCXIBSJS-NEPJUHHUSA-N	0	1	244.298	0.472	20	30		BCEDMN
N#CCNC(=O)[C@@H]1CCN1C1CCCC1	ZINC000602086248	349433589	/nfs/dbraw/zinc/43/35/89/349433589.db2.gz	OFZYTCCRPFZIPP-JTQLQIEISA-N	0	1	207.277	0.643	20	30		BCEDMN
N#CC1CN(C(=O)[C@@H]2CCN2C2CCCC2)C1	ZINC000602160103	349465322	/nfs/dbraw/zinc/46/53/22/349465322.db2.gz	LEWBIWJCSRPZAA-LBPRGKRZSA-N	0	1	233.315	0.985	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)[C@@H](C)N(C)C)C(=O)OC	ZINC000602197149	349473173	/nfs/dbraw/zinc/47/31/73/349473173.db2.gz	ULKQRESVONXMFR-ZJUUUORDSA-N	0	1	242.319	0.561	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)C	ZINC000602166794	349467378	/nfs/dbraw/zinc/46/73/78/349467378.db2.gz	JSVIQKXULRKBOG-KXUCPTDWSA-N	0	1	209.293	0.745	20	30		BCEDMN
N#CCCN1CCN(C(=O)c2cnc[nH]2)CC1	ZINC000602207866	349475120	/nfs/dbraw/zinc/47/51/20/349475120.db2.gz	HFCFKBWISIEPEL-UHFFFAOYSA-N	0	1	233.275	0.081	20	30		BCEDMN
N#Cc1ccc(CN[C@]2(CO)CCOC2)s1	ZINC000184192825	398169770	/nfs/dbraw/zinc/16/97/70/398169770.db2.gz	AOTVFORYBNUORY-NSHDSACASA-N	0	1	238.312	0.861	20	30		BCEDMN
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CC#N	ZINC000408438215	398170145	/nfs/dbraw/zinc/17/01/45/398170145.db2.gz	GLTXAMWIIXINNW-SNVBAGLBSA-N	0	1	239.319	0.204	20	30		BCEDMN
C=CCn1cc(CN[C@H](COC)C2CC2)nn1	ZINC000424290437	398179000	/nfs/dbraw/zinc/17/90/00/398179000.db2.gz	BUIPNKMGFONZAM-GFCCVEGCSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[N@H+](CC)[C@H](C)C1	ZINC000649396029	398197843	/nfs/dbraw/zinc/19/78/43/398197843.db2.gz	SUFXROIKDPHYKU-VXGBXAGGSA-N	0	1	212.337	0.949	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(CO)ccc1F	ZINC000625564751	398200296	/nfs/dbraw/zinc/20/02/96/398200296.db2.gz	XJMSCIDHLDPJLA-LLVKDONJSA-N	0	1	225.263	0.955	20	30		BCEDMN
Cc1noc(C)c1CCNC(=O)c1cnn[nH]1	ZINC000330401040	398213413	/nfs/dbraw/zinc/21/34/13/398213413.db2.gz	KCINEIIBEBUBHK-UHFFFAOYSA-N	0	1	235.247	0.957	20	30		BCEDMN
COC[C@](C)(O)CNCc1nc(C#N)cs1	ZINC000309671168	342780047	/nfs/dbraw/zinc/78/00/47/342780047.db2.gz	WARBTJSONGAWNK-SNVBAGLBSA-N	0	1	241.316	0.502	20	30		BCEDMN
C=CCCS(=O)(=O)Nc1cnoc1	ZINC000388923374	539015756	/nfs/dbraw/zinc/01/57/56/539015756.db2.gz	SDOVGPAJRWYKCY-UHFFFAOYSA-N	0	1	202.235	0.992	20	30		BCEDMN
Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)ccc1C#N	ZINC000489049877	398307851	/nfs/dbraw/zinc/30/78/51/398307851.db2.gz	YJPBABQGESCAJQ-BETUJISGSA-N	0	1	232.283	0.404	20	30		BCEDMN
CNC(=O)CNCc1cnc2ccc(C#N)cn12	ZINC000342863219	342876797	/nfs/dbraw/zinc/87/67/97/342876797.db2.gz	WNCHVQLNYGZZJJ-UHFFFAOYSA-N	0	1	243.270	0.042	20	30		BCEDMN
C[C@H](CCC#N)CN1CCN(C(=O)CO)CC1	ZINC000602652672	349660202	/nfs/dbraw/zinc/66/02/02/349660202.db2.gz	JEBKHFORCOLFGO-LLVKDONJSA-N	0	1	239.319	0.063	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@@H]1CCCCN1C	ZINC000260232766	349658538	/nfs/dbraw/zinc/65/85/38/349658538.db2.gz	WTABSLYIHQTEPO-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@H](CC1(C#N)CCOCC1)NCc1cn[nH]n1	ZINC000602713469	349705595	/nfs/dbraw/zinc/70/55/95/349705595.db2.gz	BPINCMCHBMSSPC-SNVBAGLBSA-N	0	1	249.318	0.993	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCO[C@@H](CC(N)=O)C1	ZINC000602726204	349715502	/nfs/dbraw/zinc/71/55/02/349715502.db2.gz	WGVHRUJJZIWHGD-QWRGUYRKSA-N	0	1	239.319	0.502	20	30		BCEDMN
C[C@H](CCC#N)CN1CCO[C@@H](CC(N)=O)C1	ZINC000602726203	349715941	/nfs/dbraw/zinc/71/59/41/349715941.db2.gz	WGVHRUJJZIWHGD-MNOVXSKESA-N	0	1	239.319	0.502	20	30		BCEDMN
C=C(C)CN1N=C(C)[C@@H](NC(C)=O)C1=O	ZINC000634603678	342996301	/nfs/dbraw/zinc/99/63/01/342996301.db2.gz	GPDORZFZLFUCGZ-SECBINFHSA-N	0	1	209.249	0.285	20	30		BCEDMN
CC(C)C(=O)NC1(C#N)CCN(C)CC1	ZINC000044349483	343006930	/nfs/dbraw/zinc/00/69/30/343006930.db2.gz	SZQQSCNGVLKZEK-UHFFFAOYSA-N	0	1	209.293	0.747	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cnn(C)c1	ZINC000273417602	166182151	/nfs/dbraw/zinc/18/21/51/166182151.db2.gz	UVCPREIRHSFGQJ-VHSXEESVSA-N	0	1	234.303	0.209	20	30		BCEDMN
CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000359915217	136267883	/nfs/dbraw/zinc/26/78/83/136267883.db2.gz	CVRHQXVSTRZOLY-MRVPVSSYSA-N	0	1	234.215	0.733	20	30		BCEDMN
CC[C@@H](CC#N)N[C@@H](C)CN1CCOCC1	ZINC000049504629	343111033	/nfs/dbraw/zinc/11/10/33/343111033.db2.gz	AHCKYCJUFMBKKA-RYUDHWBXSA-N	0	1	225.336	0.989	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)COC[C@H]1CCCO1	ZINC000602865124	349797040	/nfs/dbraw/zinc/79/70/40/349797040.db2.gz	TXHLMVJZSNZNRA-IJLUTSLNSA-N	0	1	242.319	0.435	20	30		BCEDMN
C#CCCN1CCCN(CCOC)C(=O)C1	ZINC000373742355	136269379	/nfs/dbraw/zinc/26/93/79/136269379.db2.gz	PMHBXSLINHGRSA-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
CC(C)OC[C@@H](O)CN[C@H](C)CC#N	ZINC000602864557	349797323	/nfs/dbraw/zinc/79/73/23/349797323.db2.gz	RXAWTIZMZYWRHE-ZJUUUORDSA-N	0	1	200.282	0.664	20	30		BCEDMN
C=CCNC(=O)CN(CC)[C@@H]1CCOC1	ZINC000361578348	136268597	/nfs/dbraw/zinc/26/85/97/136268597.db2.gz	QXFKPGCBOBGNBF-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCNC(=O)NCCN1CC=CCC1	ZINC000279676913	187240898	/nfs/dbraw/zinc/24/08/98/187240898.db2.gz	PKUQMWSDHNVFOX-UHFFFAOYSA-N	0	1	207.277	0.181	20	30		BCEDMN
C#CCCN1CCCN(CCC)C(=O)C1	ZINC000276233966	187239005	/nfs/dbraw/zinc/23/90/05/187239005.db2.gz	CXGUWKDTZOCFEU-UHFFFAOYSA-N	0	1	208.305	0.954	20	30		BCEDMN
C[C@H]1COCC[N@@H+](CCOCCC#N)C1	ZINC000339052001	136271365	/nfs/dbraw/zinc/27/13/65/136271365.db2.gz	IVNUGHKQARCMLT-LLVKDONJSA-N	0	1	212.293	0.885	20	30		BCEDMN
CC#CCN1CCC[C@@H](n2cnc(C(N)=O)n2)C1	ZINC000299739391	136273099	/nfs/dbraw/zinc/27/30/99/136273099.db2.gz	NVKOAUMECDAGON-SNVBAGLBSA-N	0	1	247.302	0.037	20	30		BCEDMN
N#Cc1cc(N2CCN(CCCF)CC2)ncn1	ZINC000402855117	343225365	/nfs/dbraw/zinc/22/53/65/343225365.db2.gz	VHKCDNUFWIGCSZ-UHFFFAOYSA-N	0	1	249.293	0.830	20	30		BCEDMN
C=CCOCCn1cc(C(C)(C)NC)nn1	ZINC000641030384	362144087	/nfs/dbraw/zinc/14/40/87/362144087.db2.gz	XIMDCROIOXXSCJ-UHFFFAOYSA-N	0	1	224.308	0.935	20	30		BCEDMN
CN(C)CC(=O)N[C@]1(C#N)CCSC1	ZINC000608959409	343249925	/nfs/dbraw/zinc/24/99/25/343249925.db2.gz	AYZSKMYDCPCTMY-VIFPVBQESA-N	0	1	213.306	0.063	20	30		BCEDMN
C=CCOCCN1C[C@H](C)O[C@H](COC)C1	ZINC000339112358	136280327	/nfs/dbraw/zinc/28/03/27/136280327.db2.gz	MZQQVPUTMYMECO-RYUDHWBXSA-N	0	1	229.320	0.925	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)CC1(O)CCC1	ZINC000602871734	349803429	/nfs/dbraw/zinc/80/34/29/349803429.db2.gz	VKTSJIDIMYTIDN-ZJUUUORDSA-N	0	1	212.293	0.544	20	30		BCEDMN
CO/N=C/C(=O)N1CCCC[C@@H]1c1nnc[nH]1	ZINC000296462782	136290727	/nfs/dbraw/zinc/29/07/27/136290727.db2.gz	PPRLQWCATCHLFS-VVESDKHQSA-N	0	1	237.263	0.491	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C)[C@@H](CO)C1	ZINC000621363320	343265078	/nfs/dbraw/zinc/26/50/78/343265078.db2.gz	MSRQKWKNAGSOKT-GHMZBOCLSA-N	0	1	226.320	0.239	20	30		BCEDMN
CN(CC(=O)NCC#N)[C@@H]1CCSC1	ZINC000119886735	136292376	/nfs/dbraw/zinc/29/23/76/136292376.db2.gz	YQGRQUQKRYEALQ-MRVPVSSYSA-N	0	1	213.306	0.063	20	30		BCEDMN
CCN(CCC#N)C(=O)CN[C@H](C)c1cn[nH]c1	ZINC000275148950	136285479	/nfs/dbraw/zinc/28/54/79/136285479.db2.gz	GECGKJPCENQIQT-SNVBAGLBSA-N	0	1	249.318	0.822	20	30		BCEDMN
CO[C@@H]1C[C@H](CO)N(Cc2cc(C#N)n(C)c2)C1	ZINC000344151435	343360555	/nfs/dbraw/zinc/36/05/55/343360555.db2.gz	VETIUVUFFIQIBJ-CHWSQXEVSA-N	0	1	249.314	0.478	20	30		BCEDMN
C[C@H](C#N)CN(C)c1ncnc2nc[nH]c21	ZINC000042461303	343439726	/nfs/dbraw/zinc/43/97/26/343439726.db2.gz	XMNKBCHOSLZHFQ-SSDOTTSWSA-N	0	1	216.248	0.949	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc([C@H](C)NC)nn1	ZINC000641083427	362203578	/nfs/dbraw/zinc/20/35/78/362203578.db2.gz	BLKULAMLFZWLPL-WCBMZHEXSA-N	0	1	210.281	0.668	20	30		BCEDMN
N#Cc1cc(C(=O)NCc2nnc[nH]2)ccc1F	ZINC000350079033	136354138	/nfs/dbraw/zinc/35/41/38/136354138.db2.gz	UGKBUMMPDMDRNT-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
[O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCC1	ZINC000329600565	136366463	/nfs/dbraw/zinc/36/64/63/136366463.db2.gz	KEFLJIQSMVIQPQ-QMMMGPOBSA-N	0	1	220.276	0.887	20	30		BCEDMN
CN1CCN(CC2(CC#N)CC2)[C@H](CO)C1	ZINC000602904724	349819018	/nfs/dbraw/zinc/81/90/18/349819018.db2.gz	KWTSTDFHBKNMOB-NSHDSACASA-N	0	1	223.320	0.289	20	30		BCEDMN
CN1CCN(CC2(CC#N)CC2)[C@@H](CO)C1	ZINC000602904723	349818759	/nfs/dbraw/zinc/81/87/59/349818759.db2.gz	KWTSTDFHBKNMOB-LLVKDONJSA-N	0	1	223.320	0.289	20	30		BCEDMN
COC1(CNC[C@H](C)C#N)CCOCC1	ZINC000379949260	343659643	/nfs/dbraw/zinc/65/96/43/343659643.db2.gz	SHQOEGMEZJFRLK-SNVBAGLBSA-N	0	1	212.293	0.931	20	30		BCEDMN
C[C@@H](CC#N)NCCN1CCO[C@@H](C)C1	ZINC000380115109	343680808	/nfs/dbraw/zinc/68/08/08/343680808.db2.gz	PHJFXUPVMCERPB-QWRGUYRKSA-N	0	1	211.309	0.599	20	30		BCEDMN
C#CCN(C(=O)CCc1nc[nH]n1)C1CC1	ZINC000491654748	259368865	/nfs/dbraw/zinc/36/88/65/259368865.db2.gz	GNIMCVROEYSFBS-UHFFFAOYSA-N	0	1	218.260	0.362	20	30		BCEDMN
N#Cc1cccc(CNC(CO)CO)c1F	ZINC000221947714	349850602	/nfs/dbraw/zinc/85/06/02/349850602.db2.gz	AYAFMDWVXNCRKA-UHFFFAOYSA-N	0	1	224.235	0.140	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@@H](O)C[C@H]1C	ZINC000340920792	343719329	/nfs/dbraw/zinc/71/93/29/343719329.db2.gz	XGRQYIKCTUACDG-NEPJUHHUSA-N	0	1	238.331	0.642	20	30		BCEDMN
N#CC1(CC(=O)NCCN2CCC2)CC1	ZINC000590313273	346972671	/nfs/dbraw/zinc/97/26/71/346972671.db2.gz	LIQWOPKRRMWRAU-UHFFFAOYSA-N	0	1	207.277	0.502	20	30		BCEDMN
C[C@H]1CN(C(=O)c2cnc[nH]2)C[C@H](C)N1CC#N	ZINC000603100713	349869843	/nfs/dbraw/zinc/86/98/43/349869843.db2.gz	QQCXHBRKSNQWRE-UWVGGRQHSA-N	0	1	247.302	0.468	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc(C(C)(C)NC)nn1	ZINC000603234344	349892690	/nfs/dbraw/zinc/89/26/90/349892690.db2.gz	KOZIQDHVMCZPMR-QMMMGPOBSA-N	0	1	238.291	0.633	20	30		BCEDMN
C[C@H](CC#N)NCCC(=O)N1CCOCC1	ZINC000157063883	343907204	/nfs/dbraw/zinc/90/72/04/343907204.db2.gz	LZRDDCSKYZQFLW-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
N#Cc1cccc(CNC[C@H]2CCCC(=O)N2)n1	ZINC000602640335	343943502	/nfs/dbraw/zinc/94/35/02/343943502.db2.gz	PHRXQFUTFIYYFB-GFCCVEGCSA-N	0	1	244.298	0.712	20	30		BCEDMN
C=CCC[C@@H](O)Cn1cc(CNC2CC2)nn1	ZINC000641211633	362273140	/nfs/dbraw/zinc/27/31/40/362273140.db2.gz	AVYQGLISAXFQRJ-GFCCVEGCSA-N	0	1	236.319	0.857	20	30		BCEDMN
CO[C@@H]1CN(CC2(CC#N)CC2)C[C@H]1O	ZINC000395272884	344138903	/nfs/dbraw/zinc/13/89/03/344138903.db2.gz	APEPITAUAIMNFV-NXEZZACHSA-N	0	1	210.277	0.372	20	30		BCEDMN
C[C@H](CC#N)NCCn1cc([N+](=O)[O-])cn1	ZINC000381188339	344140456	/nfs/dbraw/zinc/14/04/56/344140456.db2.gz	YFEJLTAGTGUAPE-MRVPVSSYSA-N	0	1	223.236	0.683	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NCc1nnc(C)[nH]1	ZINC000580038116	344186515	/nfs/dbraw/zinc/18/65/15/344186515.db2.gz	UURRKTQQKOTEQD-ZJUUUORDSA-N	0	1	222.292	0.936	20	30		BCEDMN
N#CCCCN1CCn2c(n[nH]c2=O)C1	ZINC000408227286	344264187	/nfs/dbraw/zinc/26/41/87/344264187.db2.gz	ASQWYHUWGDDOEX-UHFFFAOYSA-N	0	1	207.237	0.103	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2CCC(=O)N2)o1	ZINC000135486544	344475412	/nfs/dbraw/zinc/47/54/12/344475412.db2.gz	AOGFMCDIHJZBHC-QMMMGPOBSA-N	0	1	219.244	0.519	20	30		BCEDMN
CC[C@H]1CN(C(=O)CC#N)CCN1C[C@@H](C)O	ZINC000408320231	344495767	/nfs/dbraw/zinc/49/57/67/344495767.db2.gz	NTXDAHZJCRESPL-MNOVXSKESA-N	0	1	239.319	0.204	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC000577498589	344533474	/nfs/dbraw/zinc/53/34/74/344533474.db2.gz	AACOHRLOPAUBGB-UWVGGRQHSA-N	0	1	213.277	0.863	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC000577498591	344533496	/nfs/dbraw/zinc/53/34/96/344533496.db2.gz	AACOHRLOPAUBGB-ZJUUUORDSA-N	0	1	213.277	0.863	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)C(C)C	ZINC000044822653	344549744	/nfs/dbraw/zinc/54/97/44/344549744.db2.gz	ZVEVEKHNEVNZGA-SFYZADRCSA-N	0	1	212.249	0.460	20	30		BCEDMN
C=C(CC)CN1CCC(NS(N)(=O)=O)CC1	ZINC000626035635	344686483	/nfs/dbraw/zinc/68/64/83/344686483.db2.gz	VYODCAAETYEZDZ-UHFFFAOYSA-N	0	1	247.364	0.210	20	30		BCEDMN
N#Cc1cccc(CCNC(=O)c2cnn[nH]2)c1	ZINC000340104693	344714102	/nfs/dbraw/zinc/71/41/02/344714102.db2.gz	KKDKQLJMNJDPJH-UHFFFAOYSA-N	0	1	241.254	0.649	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)N1CCC[C@@H]1C	ZINC000076185763	344799710	/nfs/dbraw/zinc/79/97/10/344799710.db2.gz	PMFILMQFUGGBAW-ZDUSSCGKSA-N	0	1	232.327	0.956	20	30		BCEDMN
N#CCN1CCN(C[C@@H]2CCCO2)CC1	ZINC000049814637	187293744	/nfs/dbraw/zinc/29/37/44/187293744.db2.gz	NXBQAGNHPGIXSX-NSHDSACASA-N	0	1	209.293	0.307	20	30		BCEDMN
C=C(C)C(C)(C)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000424807977	192080040	/nfs/dbraw/zinc/08/00/40/192080040.db2.gz	SRKKQZCUJKYXTB-UHFFFAOYSA-N	0	1	235.291	0.907	20	30		BCEDMN
Cn1nncc1CNCc1ccc(C#N)cc1	ZINC000135855346	344915259	/nfs/dbraw/zinc/91/52/59/344915259.db2.gz	ZVRAIRQFGPJFBT-UHFFFAOYSA-N	0	1	227.271	0.977	20	30		BCEDMN
CN(CCCO)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000305979331	344945392	/nfs/dbraw/zinc/94/53/92/344945392.db2.gz	KQIKTPGHTWOACC-GFCCVEGCSA-N	0	1	239.319	0.109	20	30		BCEDMN
CO[C@@]1(C)CCCN(CC(=O)NCC#N)C1	ZINC000408277048	345019646	/nfs/dbraw/zinc/01/96/46/345019646.db2.gz	NAVDKXUPFGODHH-NSHDSACASA-N	0	1	225.292	0.127	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1[nH]nc2c1CCC2	ZINC000274667652	166211595	/nfs/dbraw/zinc/21/15/95/166211595.db2.gz	IGVRFHYRNGBRTH-SSDOTTSWSA-N	0	1	203.245	0.650	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)Cn1ccnc1CN	ZINC000600965996	345251181	/nfs/dbraw/zinc/25/11/81/345251181.db2.gz	DMJUQSMHKGZLPL-GFCCVEGCSA-N	0	1	249.318	0.396	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)CC[C@H](C)O	ZINC000135406651	345440406	/nfs/dbraw/zinc/44/04/06/345440406.db2.gz	DNKWAFUHCYGAGE-LBPRGKRZSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CC)CCCO	ZINC000135420774	345440843	/nfs/dbraw/zinc/44/08/43/345440843.db2.gz	SSZFPTYSDGJXEP-UHFFFAOYSA-N	0	1	240.347	0.891	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCCc1nc[nH]n1	ZINC000136260774	345493937	/nfs/dbraw/zinc/49/39/37/345493937.db2.gz	ANQJDAFGVXYGIP-SNVBAGLBSA-N	0	1	221.264	0.403	20	30		BCEDMN
C=CCCC[C@@H](C)N1CCN(C(=O)CO)CC1	ZINC000089267293	345553080	/nfs/dbraw/zinc/55/30/80/345553080.db2.gz	IKGAXNYGHXSLQK-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
CC(C)(C#N)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000332396002	534998795	/nfs/dbraw/zinc/99/87/95/534998795.db2.gz	SWGYHBHHCORLDJ-MRVPVSSYSA-N	0	1	205.265	0.896	20	30		BCEDMN
N#Cc1cc(CN2CC[C@@H](CO)C2)ccn1	ZINC000082669279	345665490	/nfs/dbraw/zinc/66/54/90/345665490.db2.gz	MCNKMOXPHHPQPE-LLVKDONJSA-N	0	1	217.272	0.767	20	30		BCEDMN
CC(C#N)C(=O)N[C@H](C)C(=O)OC(C)(C)C	ZINC000142361636	345705327	/nfs/dbraw/zinc/70/53/27/345705327.db2.gz	DUBHNGDHIYLCBA-JGVFFNPUSA-N	0	1	226.276	0.992	20	30		BCEDMN
N#Cc1cc(CN(CCO)C2CC2)ccn1	ZINC000070533586	345773849	/nfs/dbraw/zinc/77/38/49/345773849.db2.gz	GKENYJMRJNZYGS-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
COCC#CCN1CCCC[C@@H]1CNC(C)=O	ZINC000626158217	345899633	/nfs/dbraw/zinc/89/96/33/345899633.db2.gz	MCRRFCQDXNVMQC-CYBMUJFWSA-N	0	1	238.331	0.627	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)CCc1c[nH]nn1	ZINC000601011476	345998578	/nfs/dbraw/zinc/99/85/78/345998578.db2.gz	YCJYKFBIFNSBDA-MRVPVSSYSA-N	0	1	221.264	0.355	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)CCc1cnn[nH]1	ZINC000601011476	345998580	/nfs/dbraw/zinc/99/85/80/345998580.db2.gz	YCJYKFBIFNSBDA-MRVPVSSYSA-N	0	1	221.264	0.355	20	30		BCEDMN
N#CC1(NC(=O)CCc2c[nH]nn2)CCCC1	ZINC000601039499	346004222	/nfs/dbraw/zinc/00/42/22/346004222.db2.gz	MFWGPRMQGWGKIQ-UHFFFAOYSA-N	0	1	233.275	0.690	20	30		BCEDMN
N#CC1(NC(=O)CCc2cnn[nH]2)CCCC1	ZINC000601039499	346004226	/nfs/dbraw/zinc/00/42/26/346004226.db2.gz	MFWGPRMQGWGKIQ-UHFFFAOYSA-N	0	1	233.275	0.690	20	30		BCEDMN
C=CCCOCCNC(=O)[C@@H](C)N(C)C	ZINC000635738228	346046068	/nfs/dbraw/zinc/04/60/68/346046068.db2.gz	MOHULXLPNSLNSI-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H](C)N(C)C	ZINC000635783308	346068106	/nfs/dbraw/zinc/06/81/06/346068106.db2.gz	DQUITRJKJIHMIW-SECBINFHSA-N	0	1	200.282	0.255	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCN1C	ZINC000635989907	346140777	/nfs/dbraw/zinc/14/07/77/346140777.db2.gz	WMHMKRUFSGJKTQ-WOPDTQHZSA-N	0	1	238.331	0.930	20	30		BCEDMN
N#Cc1cc(C(=O)NCc2c[nH]nn2)ccc1F	ZINC000586792762	346111079	/nfs/dbraw/zinc/11/10/79/346111079.db2.gz	RQPRQGQDOOWOCL-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N(C)Cc1cn[nH]c1C	ZINC000636070415	346310672	/nfs/dbraw/zinc/31/06/72/346310672.db2.gz	NCWVQCNEGWUCIY-LLVKDONJSA-N	0	1	223.276	0.614	20	30		BCEDMN
C[C@@H](Sc1c[nH]nn1)C(=O)N(C)CCC#N	ZINC000156022436	346358439	/nfs/dbraw/zinc/35/84/39/346358439.db2.gz	JVCKFHPXXMOKPF-SSDOTTSWSA-N	0	1	239.304	0.657	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccnn1CC	ZINC000641767265	362700645	/nfs/dbraw/zinc/70/06/45/362700645.db2.gz	HZKKXYCNNAYGIR-LLVKDONJSA-N	0	1	221.304	0.767	20	30		BCEDMN
N#Cc1cncc(NCCCc2nc[nH]n2)n1	ZINC000401228318	346489800	/nfs/dbraw/zinc/48/98/00/346489800.db2.gz	LREACCXVKSAUPQ-UHFFFAOYSA-N	0	1	229.247	0.511	20	30		BCEDMN
CCN1CCN(c2cncc(C#N)n2)C[C@H]1C	ZINC000401318430	346577625	/nfs/dbraw/zinc/57/76/25/346577625.db2.gz	FFMYYDGDMHWLDE-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
Cc1cc(C#N)nc(N2CCc3cn[nH]c3C2)n1	ZINC000588005097	346621803	/nfs/dbraw/zinc/62/18/03/346621803.db2.gz	MDFZOYLRMBTPGB-UHFFFAOYSA-N	0	1	240.270	0.943	20	30		BCEDMN
C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)[NH+](C)C	ZINC000589168391	346671265	/nfs/dbraw/zinc/67/12/65/346671265.db2.gz	AQKAKQDEYSEALX-VIFPVBQESA-N	0	1	247.298	0.944	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000621991264	370647605	/nfs/dbraw/zinc/64/76/05/370647605.db2.gz	MFEFDDNIEXRACM-SECBINFHSA-N	0	1	237.303	0.741	20	30		BCEDMN
C[C@H](NC(=O)c1cccc(C#N)n1)c1nnc[nH]1	ZINC000589437718	346700115	/nfs/dbraw/zinc/70/01/15/346700115.db2.gz	CAIRVCMAOTVHFJ-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
COCCN(CCC#N)Cc1n[nH]c(C)n1	ZINC000589985003	346759579	/nfs/dbraw/zinc/75/95/79/346759579.db2.gz	UJRUAVAUEAKBDE-UHFFFAOYSA-N	0	1	223.280	0.475	20	30		BCEDMN
CC(C)[C@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000584326905	346769692	/nfs/dbraw/zinc/76/96/92/346769692.db2.gz	WWFNURDYUVKXJJ-JTQLQIEISA-N	0	1	239.319	0.107	20	30		BCEDMN
COCCOC1(CNCCC#N)CCOCC1	ZINC000577172295	365854341	/nfs/dbraw/zinc/85/43/41/365854341.db2.gz	OKTZGGYENKPBHC-UHFFFAOYSA-N	0	1	242.319	0.702	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601285925	347154163	/nfs/dbraw/zinc/15/41/63/347154163.db2.gz	YPHZLFXYIAJKJW-SSDOTTSWSA-N	0	1	221.264	0.402	20	30		BCEDMN
Cc1nc(NCc2c[nH]nn2)ccc1C#N	ZINC000309886663	347193634	/nfs/dbraw/zinc/19/36/34/347193634.db2.gz	YRJNYXHZZIUKMH-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
C[C@H]1CN(CCCCC#N)CC[N@@H+]1CCO	ZINC000187706909	347263813	/nfs/dbraw/zinc/26/38/13/347263813.db2.gz	GURNCWHKDZJCHZ-LBPRGKRZSA-N	0	1	225.336	0.679	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ncc[nH]1	ZINC000632411681	347314400	/nfs/dbraw/zinc/31/44/00/347314400.db2.gz	HTTGFWGXNNPUNE-SFYZADRCSA-N	0	1	243.288	0.032	20	30		BCEDMN
CCN(CC(=O)N1CC(C#N)C1)C1CC1	ZINC000590488589	347382918	/nfs/dbraw/zinc/38/29/18/347382918.db2.gz	UTDMWLMNHQXYIG-UHFFFAOYSA-N	0	1	207.277	0.453	20	30		BCEDMN
CC1CCN(CC(=O)N2CC(C#N)C2)CC1	ZINC000590489198	347386302	/nfs/dbraw/zinc/38/63/02/347386302.db2.gz	NNODARHEEXEUOP-UHFFFAOYSA-N	0	1	221.304	0.700	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@]1(N(C)C)CCCSC1	ZINC000364415817	347418392	/nfs/dbraw/zinc/41/83/92/347418392.db2.gz	DWEYMFOXMUUWOI-JQWIXIFHSA-N	0	1	240.372	0.952	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@]1(N(C)C)CCCSC1	ZINC000364415819	347418776	/nfs/dbraw/zinc/41/87/76/347418776.db2.gz	DWEYMFOXMUUWOI-ZYHUDNBSSA-N	0	1	240.372	0.952	20	30		BCEDMN
C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nccc(C#N)n1	ZINC000590696029	347492849	/nfs/dbraw/zinc/49/28/49/347492849.db2.gz	ISAWHNKYPIKGQA-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1nccc(C#N)n1	ZINC000590696029	347492855	/nfs/dbraw/zinc/49/28/55/347492855.db2.gz	ISAWHNKYPIKGQA-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#CCNC(=O)CN1CCCC2(CC2)C1	ZINC000334248806	347554146	/nfs/dbraw/zinc/55/41/46/347554146.db2.gz	RBCNPDBKVCVHEN-UHFFFAOYSA-N	0	1	207.277	0.502	20	30		BCEDMN
CC[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)C#N	ZINC000590936359	347592622	/nfs/dbraw/zinc/59/26/22/347592622.db2.gz	XPLLMQPDPQKPGQ-QWRGUYRKSA-N	0	1	238.335	0.882	20	30		BCEDMN
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1cncc(C#N)n1	ZINC000591460068	347665785	/nfs/dbraw/zinc/66/57/85/347665785.db2.gz	LLJCFQCXBUOKHI-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2cncc(C#N)n2)CCN1C	ZINC000591460068	347665786	/nfs/dbraw/zinc/66/57/86/347665786.db2.gz	LLJCFQCXBUOKHI-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@]1(C(N)=O)CCN(Cc2ccncc2C#N)C1	ZINC000592120918	347736871	/nfs/dbraw/zinc/73/68/71/347736871.db2.gz	KDEZAKXTOJFPHN-CYBMUJFWSA-N	0	1	244.298	0.651	20	30		BCEDMN
CCC#C[C@H](C)N1C[C@H](O)C[C@H](C(=O)OC)C1	ZINC000592200920	347752789	/nfs/dbraw/zinc/75/27/89/347752789.db2.gz	WUYOCERLPSMCKC-SDDRHHMPSA-N	0	1	239.315	0.644	20	30		BCEDMN
C=CCNC(=O)CN(CC)CCSC	ZINC000592204256	347755848	/nfs/dbraw/zinc/75/58/48/347755848.db2.gz	SHVBJELGVLTPGQ-UHFFFAOYSA-N	0	1	216.350	0.974	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)[C@@H](C)CCO	ZINC000593110383	347861183	/nfs/dbraw/zinc/86/11/83/347861183.db2.gz	WIVUAYNOYMAJGB-NSHDSACASA-N	0	1	241.335	0.451	20	30		BCEDMN
C[C@H](O)CN(C)Cc1ccc(C#N)cn1	ZINC000593959952	347971792	/nfs/dbraw/zinc/97/17/92/347971792.db2.gz	VOOCQQLMNUUEBU-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN1CC[C@H](C)C1	ZINC000577409308	365948369	/nfs/dbraw/zinc/94/83/69/365948369.db2.gz	UYGIBSHRTMGTAC-UWVGGRQHSA-N	0	1	209.293	0.604	20	30		BCEDMN
COC[C@@H](C)OC[C@@H](O)CN1CC(CC#N)C1	ZINC000594715991	348105496	/nfs/dbraw/zinc/10/54/96/348105496.db2.gz	FRLPEYRUMFJIHM-PWSUYJOCSA-N	0	1	242.319	0.244	20	30		BCEDMN
N#CCCCNS(=O)(=O)c1ccccc1O	ZINC000594771054	348112012	/nfs/dbraw/zinc/11/20/12/348112012.db2.gz	FGMZYFXKLYPENT-UHFFFAOYSA-N	0	1	240.284	0.974	20	30		BCEDMN
Cc1cc(CN[C@H]2CCNC2=O)ccc1C#N	ZINC000594967750	348161214	/nfs/dbraw/zinc/16/12/14/348161214.db2.gz	VDLAODHRLHYUKX-LBPRGKRZSA-N	0	1	229.283	0.845	20	30		BCEDMN
Cc1cccnc1C(=O)Nc1nn[nH]n1	ZINC000028258789	179358298	/nfs/dbraw/zinc/35/82/98/179358298.db2.gz	HUIVLELHSOOWFN-UHFFFAOYSA-N	0	1	204.193	0.539	20	30		BCEDMN
CC#CCN1CCN(CCOCC)CC1	ZINC000119154352	348200517	/nfs/dbraw/zinc/20/05/17/348200517.db2.gz	ZMOBQKNNQYLQPS-UHFFFAOYSA-N	0	1	210.321	0.664	20	30		BCEDMN
CC(C)OC[C@H](N)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000595248581	348209346	/nfs/dbraw/zinc/20/93/46/348209346.db2.gz	ALJBMZSOJNPQSB-AXFHLTTASA-N	0	1	239.319	0.547	20	30		BCEDMN
C[C@@H](C#N)CN(C[C@H]1CNC(=O)C1)C1CC1	ZINC000595390025	348243727	/nfs/dbraw/zinc/24/37/27/348243727.db2.gz	SLORVCBXWFHFSE-VHSXEESVSA-N	0	1	221.304	0.747	20	30		BCEDMN
CCc1nc([C@H](C)N2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000595560504	348281343	/nfs/dbraw/zinc/28/13/43/348281343.db2.gz	YTIPAMRSXYQWDI-JOYOIKCWSA-N	0	1	249.318	0.779	20	30		BCEDMN
N#CC1(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000595607235	348287150	/nfs/dbraw/zinc/28/71/50/348287150.db2.gz	JNZBTHNFYARFQK-LLVKDONJSA-N	0	1	231.303	0.904	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@H]2CCCNC2=O)C1	ZINC000595621445	348290695	/nfs/dbraw/zinc/29/06/95/348290695.db2.gz	VARJGIKMWZYKJM-QWRGUYRKSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=C(C)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C	ZINC000419325726	192122092	/nfs/dbraw/zinc/12/20/92/192122092.db2.gz	LMSSAQCLUDDGQQ-NWDGAFQWSA-N	0	1	212.337	0.949	20	30		BCEDMN
C[C@@H](CO)[C@H]1CCCCN1CC(=O)NCC#N	ZINC000595670781	348309490	/nfs/dbraw/zinc/30/94/90/348309490.db2.gz	CTARGEQWBUKUSF-WDEREUQCSA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CC1(NC(=O)CN2CC[C@H]3C[C@H]3C2)CCC1	ZINC000595809106	348349536	/nfs/dbraw/zinc/34/95/36/348349536.db2.gz	GKSBXPJHBCWHTB-QWRGUYRKSA-N	0	1	233.315	0.891	20	30		BCEDMN
CCc1nc([C@@H](C)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000595315668	490159240	/nfs/dbraw/zinc/15/92/40/490159240.db2.gz	BGTSTLPPYRJSBS-RKDXNWHRSA-N	0	1	235.291	0.652	20	30		BCEDMN
C[C@@]1(C#N)CCN(CC[C@H]2CCNC2=O)C1	ZINC000595842219	348378154	/nfs/dbraw/zinc/37/81/54/348378154.db2.gz	QASIPDFVANSCOQ-PWSUYJOCSA-N	0	1	221.304	0.748	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)C[C@@H]2COCCN2)C1	ZINC000595982044	348417349	/nfs/dbraw/zinc/41/73/49/348417349.db2.gz	RPWDQKRXMSKVQA-ZYHUDNBSSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC2CC1(C)C2	ZINC000595914870	348399637	/nfs/dbraw/zinc/39/96/37/348399637.db2.gz	FWZFMGLWEYSMMU-UHFFFAOYSA-N	0	1	237.303	0.483	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1cc(C#N)cn1C	ZINC000596466100	348544415	/nfs/dbraw/zinc/54/44/15/348544415.db2.gz	QFKKUSZMFCZNCS-UHFFFAOYSA-N	0	1	246.314	0.530	20	30		BCEDMN
COCc1nc(CNc2cnccc2C#N)n[nH]1	ZINC000596437003	348546843	/nfs/dbraw/zinc/54/68/43/348546843.db2.gz	USQGHRLTLLLWEM-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2cnccc2C#N)[nH]1	ZINC000596437003	348546846	/nfs/dbraw/zinc/54/68/46/348546846.db2.gz	USQGHRLTLLLWEM-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@@](F)(C(=O)OC)C1	ZINC000268435653	166303549	/nfs/dbraw/zinc/30/35/49/166303549.db2.gz	DZUOGWWHJRANAQ-JQWIXIFHSA-N	0	1	245.294	0.901	20	30		BCEDMN
C[C@H](CO)N(C)Cc1ccnc(C#N)c1	ZINC000159145679	348609942	/nfs/dbraw/zinc/60/99/42/348609942.db2.gz	XIPWABKLPFZKQK-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
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CC#CC(=O)N1CCCN(CCOC)CC1	ZINC000283056175	353490425	/nfs/dbraw/zinc/49/04/25/353490425.db2.gz	CTIDXIBVYBSFTN-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC[C@H](OC)C2)C1=O	ZINC000282090714	353462778	/nfs/dbraw/zinc/46/27/78/353462778.db2.gz	VEMBTZMUVGVJPA-WDEREUQCSA-N	0	1	224.304	0.494	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000282061205	353462790	/nfs/dbraw/zinc/46/27/90/353462790.db2.gz	SEJZICKVIPMMJU-SECBINFHSA-N	0	1	223.276	0.693	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCOCC)C1=O	ZINC000282130672	353463618	/nfs/dbraw/zinc/46/36/18/353463618.db2.gz	YSXCMOZLSJNCNI-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](OC)C[C@H]1C	ZINC000282320555	353474307	/nfs/dbraw/zinc/47/43/07/353474307.db2.gz	LAHAJQXCGHNHEI-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000284369121	353515586	/nfs/dbraw/zinc/51/55/86/353515586.db2.gz	UBFAMCVSYMQIHO-MRVPVSSYSA-N	0	1	209.249	0.728	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)OC	ZINC000285492827	353544002	/nfs/dbraw/zinc/54/40/02/353544002.db2.gz	CIZILUHHDICANN-NXEZZACHSA-N	0	1	214.309	0.644	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)OC	ZINC000285492835	353544173	/nfs/dbraw/zinc/54/41/73/353544173.db2.gz	CIZILUHHDICANN-ZJUUUORDSA-N	0	1	214.309	0.644	20	30		BCEDMN
C=CCn1nnnc1SCc1c[nH]nn1	ZINC000287492091	353576854	/nfs/dbraw/zinc/57/68/54/353576854.db2.gz	JSXSGMRFGZNWNB-UHFFFAOYSA-N	0	1	223.265	0.270	20	30		BCEDMN
C=C[C@@H](CO)N[C@H](C)c1cn(C)nc1C	ZINC000289630196	353623137	/nfs/dbraw/zinc/62/31/37/353623137.db2.gz	FEGZZFJPVWSEGF-SCZZXKLOSA-N	0	1	209.293	0.926	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1CC	ZINC000290686049	353667986	/nfs/dbraw/zinc/66/79/86/353667986.db2.gz	ULFUNPLZMGQSFY-MNOVXSKESA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000290686049	353667988	/nfs/dbraw/zinc/66/79/88/353667988.db2.gz	ULFUNPLZMGQSFY-MNOVXSKESA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCNC(=O)CNCc1c[nH]c2nccnc12	ZINC000290911543	353675597	/nfs/dbraw/zinc/67/55/97/353675597.db2.gz	PJYMGBUGCJXXBE-UHFFFAOYSA-N	0	1	245.286	0.350	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CCC[N@H+]1C1CC1	ZINC000291161907	353680689	/nfs/dbraw/zinc/68/06/89/353680689.db2.gz	CNDYTUHMIDQNAK-JTQLQIEISA-N	0	1	208.261	0.294	20	30		BCEDMN
C=CCNC(=O)CCCCc1cn[nH]n1	ZINC000184584031	353684676	/nfs/dbraw/zinc/68/46/76/353684676.db2.gz	OHOHPESEZVFEFH-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C#CCONC(=O)[C@H](C)c1cccnc1	ZINC000291369293	353685321	/nfs/dbraw/zinc/68/53/21/353685321.db2.gz	ZFUXCWDANLCKDO-SECBINFHSA-N	0	1	204.229	0.866	20	30		BCEDMN
C#CCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000291378570	353691908	/nfs/dbraw/zinc/69/19/08/353691908.db2.gz	VVKOIRQPOXDJKR-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000165785420	353701162	/nfs/dbraw/zinc/70/11/62/353701162.db2.gz	MXVHNSLCPWYMNU-VHSXEESVSA-N	0	1	241.360	0.842	20	30		BCEDMN
C#CCNC(=O)CCCCc1cn[nH]n1	ZINC000184746683	353702210	/nfs/dbraw/zinc/70/22/10/353702210.db2.gz	ATNHSRCQSZFQNB-UHFFFAOYSA-N	0	1	206.249	0.267	20	30		BCEDMN
C=CCOCCN1CCCC[C@H]1C(N)=O	ZINC000293674745	353760486	/nfs/dbraw/zinc/76/04/86/353760486.db2.gz	ZSDUVXOCIOQEFJ-JTQLQIEISA-N	0	1	212.293	0.529	20	30		BCEDMN
C=CCOCCN1CCCC[C@@H]1C(N)=O	ZINC000293674746	353760688	/nfs/dbraw/zinc/76/06/88/353760688.db2.gz	ZSDUVXOCIOQEFJ-SNVBAGLBSA-N	0	1	212.293	0.529	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1nc(C)oc1C	ZINC000293882612	353762760	/nfs/dbraw/zinc/76/27/60/353762760.db2.gz	CVSJXFMSDTZZNT-UHFFFAOYSA-N	0	1	249.314	0.976	20	30		BCEDMN
C#CCN(C)CCCNC(=O)C1CC(=O)C1	ZINC000293932425	353764007	/nfs/dbraw/zinc/76/40/07/353764007.db2.gz	IBAMLZMHDSEVEE-UHFFFAOYSA-N	0	1	222.288	0.037	20	30		BCEDMN
C#C[C@@H](NC(=O)N(C)Cc1nnc[nH]1)C(C)C	ZINC000294348178	353774702	/nfs/dbraw/zinc/77/47/02/353774702.db2.gz	ZBFDGEPWFPGITJ-SECBINFHSA-N	0	1	235.291	0.604	20	30		BCEDMN
C=CCOCCN(CC(N)=O)C(C)C	ZINC000293445327	353744756	/nfs/dbraw/zinc/74/47/56/353744756.db2.gz	KHMATQNUKIQBBM-UHFFFAOYSA-N	0	1	200.282	0.385	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000185730205	353830633	/nfs/dbraw/zinc/83/06/33/353830633.db2.gz	VFFAYBGTIUPFIB-NXEZZACHSA-N	0	1	249.314	0.883	20	30		BCEDMN
CC#CCCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000348618518	366123097	/nfs/dbraw/zinc/12/30/97/366123097.db2.gz	YTAAXFAURWRNON-JTQLQIEISA-N	0	1	246.270	0.286	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCO1	ZINC000170687932	166387589	/nfs/dbraw/zinc/38/75/89/166387589.db2.gz	SVIQARWVTKJAOQ-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CCN(CCOC)[C@@H](C)C(=O)N(C)CCC#N	ZINC000343642308	353952093	/nfs/dbraw/zinc/95/20/93/353952093.db2.gz	DRDIGENJWBHSLD-NSHDSACASA-N	0	1	241.335	0.715	20	30		BCEDMN
C=C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343832480	354034070	/nfs/dbraw/zinc/03/40/70/354034070.db2.gz	XYPPUQDDAQUIAA-RXMQYKEDSA-N	0	1	210.193	0.622	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1cnn(C)c1	ZINC000273319777	166388079	/nfs/dbraw/zinc/38/80/79/166388079.db2.gz	QUHRMMQAEOLJRC-UWVGGRQHSA-N	0	1	236.319	0.761	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CC(F)(F)C2)c1=O	ZINC000335478839	181079146	/nfs/dbraw/zinc/07/91/46/181079146.db2.gz	ODJFWDJDQFTPSG-UHFFFAOYSA-N	0	1	241.197	0.454	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)N2CCc3[nH]nnc3C2)c1	ZINC000359564359	181079633	/nfs/dbraw/zinc/07/96/33/181079633.db2.gz	KJDBGNMIYZAMSK-UHFFFAOYSA-N	0	1	242.242	0.203	20	30		BCEDMN
N#Cc1cc(C(=O)NCc2cnc[nH]2)ccn1	ZINC000356147062	181083807	/nfs/dbraw/zinc/08/38/07/181083807.db2.gz	QLXRMIHRIVGDIN-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
C=CCNC(=O)CN1CCCC[C@H]1c1nnc[nH]1	ZINC000121813418	358485986	/nfs/dbraw/zinc/48/59/86/358485986.db2.gz	RPJGEUPYSNUGOP-JTQLQIEISA-N	0	1	249.318	0.634	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2cnc[nH]2)cn1	ZINC000359130162	181100278	/nfs/dbraw/zinc/10/02/78/181100278.db2.gz	RTWVKVGROSUCLI-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H](O)CO)c(F)c1	ZINC000083353113	181108528	/nfs/dbraw/zinc/10/85/28/181108528.db2.gz	NSKNICKJEYFQRQ-SNVBAGLBSA-N	0	1	224.235	0.140	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2CCCNC2=O)cc1	ZINC000050394162	181110218	/nfs/dbraw/zinc/11/02/18/181110218.db2.gz	MVQSVANGDJZOEM-LBPRGKRZSA-N	0	1	229.283	0.926	20	30		BCEDMN
N#Cc1ccc(CN2CCOC[C@@H](O)C2)cc1	ZINC000294848114	181103726	/nfs/dbraw/zinc/10/37/26/181103726.db2.gz	RVCZLVPCASKNNW-ZDUSSCGKSA-N	0	1	232.283	0.751	20	30		BCEDMN
Cc1nnc(SCCC(=O)N[C@@H](C)C#N)[nH]1	ZINC000344971010	354385685	/nfs/dbraw/zinc/38/56/85/354385685.db2.gz	QTCJQYGIRPECIA-LURJTMIESA-N	0	1	239.304	0.624	20	30		BCEDMN
C=C(CC)CN1CCN2C(=O)NC[C@@H]2C1	ZINC000334772044	354591677	/nfs/dbraw/zinc/59/16/77/354591677.db2.gz	KKCUPACEYJFHRO-SNVBAGLBSA-N	0	1	209.293	0.662	20	30		BCEDMN
C=CCCN(C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000346067327	354852181	/nfs/dbraw/zinc/85/21/81/354852181.db2.gz	HZJNCGDSLUGCBY-LBPRGKRZSA-N	0	1	240.347	0.989	20	30		BCEDMN
C=CCN(CC=C)C(=O)NC[C@H]1COCCN1	ZINC000627184809	363438695	/nfs/dbraw/zinc/43/86/95/363438695.db2.gz	XKSJBIPUWAAPEJ-NSHDSACASA-N	0	1	239.319	0.358	20	30		BCEDMN
N#Cc1nccnc1NCCCc1nc[nH]n1	ZINC000080588352	181174099	/nfs/dbraw/zinc/17/40/99/181174099.db2.gz	PCJHDARZDZQIRK-UHFFFAOYSA-N	0	1	229.247	0.511	20	30		BCEDMN
C=CCOCCCNCc1ncnn1C	ZINC000639317519	355708774	/nfs/dbraw/zinc/70/87/74/355708774.db2.gz	TWKWADKQYFYMQJ-UHFFFAOYSA-N	0	1	210.281	0.497	20	30		BCEDMN
CCOC(=O)COCCN1CCC(C#N)CC1	ZINC000351438193	355992024	/nfs/dbraw/zinc/99/20/24/355992024.db2.gz	DJFICIKYHAPZOV-UHFFFAOYSA-N	0	1	240.303	0.802	20	30		BCEDMN
N#Cc1ccc(CN(CCO)CCO)cc1F	ZINC000191992342	355945117	/nfs/dbraw/zinc/94/51/17/355945117.db2.gz	YVEJISBOCGVHNL-UHFFFAOYSA-N	0	1	238.262	0.484	20	30		BCEDMN
N#Cc1cc(CN2CCc3n[nH]nc3C2)ccn1	ZINC000617547273	356064238	/nfs/dbraw/zinc/06/42/38/356064238.db2.gz	ZSFWMMZJXKXLNO-UHFFFAOYSA-N	0	1	240.270	0.630	20	30		BCEDMN
CC1(C[NH+]=C([O-])N[C@H]2CCc3ncnn3C2)CC1	ZINC000330049265	356164694	/nfs/dbraw/zinc/16/46/94/356164694.db2.gz	JHBFAHNHGKSMIH-VIFPVBQESA-N	0	1	249.318	0.897	20	30		BCEDMN
CC1(CNC(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000330049265	356164699	/nfs/dbraw/zinc/16/46/99/356164699.db2.gz	JHBFAHNHGKSMIH-VIFPVBQESA-N	0	1	249.318	0.897	20	30		BCEDMN
CC#CCNC(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000336095086	134080226	/nfs/dbraw/zinc/08/02/26/134080226.db2.gz	HIHXRGJOMICDFX-LBPRGKRZSA-N	0	1	237.347	0.991	20	30		BCEDMN
C=CCN(C(=O)[C@H](C)N(C)C)[C@H](C)COC	ZINC000617579472	356148215	/nfs/dbraw/zinc/14/82/15/356148215.db2.gz	FARWUIDDMMRUTO-MNOVXSKESA-N	0	1	228.336	0.986	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N[C@H]1[C@@H]2COC[C@@H]21	ZINC000329948742	356148257	/nfs/dbraw/zinc/14/82/57/356148257.db2.gz	ZHPGHGCSWJUIMH-MYJAWHEDSA-N	0	1	236.275	0.367	20	30		BCEDMN
CC1(CNC(=O)N2CCn3ncnc3C2)CC1	ZINC000329945524	356148425	/nfs/dbraw/zinc/14/84/25/356148425.db2.gz	XGGKVEGORAVTAT-UHFFFAOYSA-N	0	1	235.291	0.808	20	30		BCEDMN
[O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C1CC1	ZINC000330186848	356180803	/nfs/dbraw/zinc/18/08/03/356180803.db2.gz	SLXQSAYPASSOBS-SECBINFHSA-N	0	1	220.276	0.864	20	30		BCEDMN
[O-]C(NC1CC1)=[NH+][C@@H]1CCn2ccnc2C1	ZINC000330186848	356180805	/nfs/dbraw/zinc/18/08/05/356180805.db2.gz	SLXQSAYPASSOBS-SECBINFHSA-N	0	1	220.276	0.864	20	30		BCEDMN
Cc1cc(CC(=O)NC2(C#N)CCC2)[nH]n1	ZINC000331930391	356205963	/nfs/dbraw/zinc/20/59/63/356205963.db2.gz	GAMZDLUZPXCHPL-UHFFFAOYSA-N	0	1	218.260	0.823	20	30		BCEDMN
C[C@H]1CN(CC(=O)NCC#N)CC(C)(C)C1	ZINC000336351219	356346318	/nfs/dbraw/zinc/34/63/18/356346318.db2.gz	DDQKWWPGAUDEJE-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ccncc2C#N)C1	ZINC000399368529	356470661	/nfs/dbraw/zinc/47/06/61/356470661.db2.gz	JVUQOVAEEKHILS-LBPRGKRZSA-N	0	1	245.330	0.033	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)C[C@H]1CCCN1C	ZINC000420729037	192258859	/nfs/dbraw/zinc/25/88/59/192258859.db2.gz	BOSHEPUWQBEVOG-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=C(C)C[N@@H+](C)C[C@H](O)CC1(O)CCOCC1	ZINC000639572618	356496385	/nfs/dbraw/zinc/49/63/85/356496385.db2.gz	SCAYUYLGDAWICB-GFCCVEGCSA-N	0	1	243.347	0.787	20	30		BCEDMN
C=CCCN1CCN(CC(F)(F)CO)CC1	ZINC000639737199	356630671	/nfs/dbraw/zinc/63/06/71/356630671.db2.gz	NKQFKAAHHGDAOO-UHFFFAOYSA-N	0	1	234.290	0.808	20	30		BCEDMN
CN(C(=O)[C@@H]1CCCN1C)C1(C#N)CCC1	ZINC000336617536	134151576	/nfs/dbraw/zinc/15/15/76/134151576.db2.gz	YKYADWHDXGBCID-JTQLQIEISA-N	0	1	221.304	0.985	20	30		BCEDMN
C=CCC[C@H](O)CN1CCNC(=O)[C@H]1C(C)C	ZINC000305078913	134159847	/nfs/dbraw/zinc/15/98/47/134159847.db2.gz	LXCUQBLXNYDLCO-NWDGAFQWSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O	ZINC000305838288	134160576	/nfs/dbraw/zinc/16/05/76/134160576.db2.gz	XYQDCLPFPKDFEW-RYUDHWBXSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](O)C1	ZINC000114486410	134161760	/nfs/dbraw/zinc/16/17/60/134161760.db2.gz	KXSCWGLHROUNNG-NWDGAFQWSA-N	0	1	238.331	0.642	20	30		BCEDMN
C[C@@H](NC(=O)NCCCCC#N)c1nnc[nH]1	ZINC000353399718	134163636	/nfs/dbraw/zinc/16/36/36/134163636.db2.gz	NDSKSCFCSPDZBR-MRVPVSSYSA-N	0	1	236.279	0.859	20	30		BCEDMN
CC#CCCNC(=O)[C@H](C)CN1CCOCC1	ZINC000542673172	325040906	/nfs/dbraw/zinc/04/09/06/325040906.db2.gz	JCGQTOHXAZHYCR-GFCCVEGCSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=CCNC(=O)CN[C@@H]1CCCc2nn(C)cc21	ZINC000358997232	134193508	/nfs/dbraw/zinc/19/35/08/134193508.db2.gz	TVSGBMRRJYXZMS-LLVKDONJSA-N	0	1	248.330	0.689	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000582490819	357320208	/nfs/dbraw/zinc/32/02/08/357320208.db2.gz	OJODYAAVZVYVTI-VHSXEESVSA-N	0	1	215.293	0.966	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000582490817	357320358	/nfs/dbraw/zinc/32/03/58/357320358.db2.gz	OJODYAAVZVYVTI-NXEZZACHSA-N	0	1	215.293	0.966	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000583154129	357496148	/nfs/dbraw/zinc/49/61/48/357496148.db2.gz	UQRRUQLIVMMLFB-NEPJUHHUSA-N	0	1	240.347	0.629	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@@H](OC)C1	ZINC000361357909	134204788	/nfs/dbraw/zinc/20/47/88/134204788.db2.gz	UOZOIRDXSAAIRT-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
C[C@H]1CN(CCN2CCC(C#N)CC2)CCO1	ZINC000191465769	357772083	/nfs/dbraw/zinc/77/20/83/357772083.db2.gz	RZUXFQITUNUOHJ-LBPRGKRZSA-N	0	1	237.347	0.943	20	30		BCEDMN
C#CCCN1CCO[C@@]2(CCO[C@@H]2C)C1	ZINC000369315998	134222184	/nfs/dbraw/zinc/22/21/84/134222184.db2.gz	XZOXMLKGHOFDJA-NEPJUHHUSA-N	0	1	209.289	0.890	20	30		BCEDMN
C=CCN(CCOC)C(=O)c1ccn[nH]1	ZINC000191971243	357817641	/nfs/dbraw/zinc/81/76/41/357817641.db2.gz	QAPYZSFHWOEVJX-UHFFFAOYSA-N	0	1	209.249	0.684	20	30		BCEDMN
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COC[C@](C)(CCO)NCc1cccc(C#N)n1	ZINC000602570524	369816428	/nfs/dbraw/zinc/81/64/28/369816428.db2.gz	BQYYIUUSNDXXMM-ZDUSSCGKSA-N	0	1	249.314	0.830	20	30		BCEDMN
C[C@H](C[S@@](C)=O)NCc1cccc(C#N)n1	ZINC000602608409	369826546	/nfs/dbraw/zinc/82/65/46/369826546.db2.gz	NEFNAHJTUGXEEQ-JDNHERCYSA-N	0	1	237.328	0.810	20	30		BCEDMN
CN(Cc1cccc(C#N)n1)C1CC(O)C1	ZINC000602612079	369827963	/nfs/dbraw/zinc/82/79/63/369827963.db2.gz	GCNOWELFERBPHR-UHFFFAOYSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@H]1NCc1cccc(C#N)n1	ZINC000602655428	369834960	/nfs/dbraw/zinc/83/49/60/369834960.db2.gz	KRTGOKXWNTZWIT-CABZTGNLSA-N	0	1	244.298	0.567	20	30		BCEDMN
N#Cc1cccc(CNCCNC(=O)C2CC2)n1	ZINC000602506055	369797768	/nfs/dbraw/zinc/79/77/68/369797768.db2.gz	ZUZCXPUZNOTABI-UHFFFAOYSA-N	0	1	244.298	0.569	20	30		BCEDMN
CC(C)N(Cc1cccc(C#N)n1)C[C@H](O)CO	ZINC000602697339	369843206	/nfs/dbraw/zinc/84/32/06/369843206.db2.gz	KCNNVSJOAXNBBV-ZDUSSCGKSA-N	0	1	249.314	0.517	20	30		BCEDMN
CN1CCN(Cc2ccnc(C#N)c2)[C@H](CO)C1	ZINC000602903049	369862525	/nfs/dbraw/zinc/86/25/25/369862525.db2.gz	APCJPVYHLDSDFP-ZDUSSCGKSA-N	0	1	246.314	0.062	20	30		BCEDMN
CNCc1cn(Cc2ccccc2C#N)nn1	ZINC000603173741	369895300	/nfs/dbraw/zinc/89/53/00/369895300.db2.gz	PDKBMRRVMBOODD-UHFFFAOYSA-N	0	1	227.271	0.917	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000620590471	369942185	/nfs/dbraw/zinc/94/21/85/369942185.db2.gz	AIZXZPBIKMUORN-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2CCNC2=O)cc1	ZINC000309566063	370231009	/nfs/dbraw/zinc/23/10/09/370231009.db2.gz	KWYCEAPYTSPRPN-NSHDSACASA-N	0	1	215.256	0.536	20	30		BCEDMN
N#Cc1cccnc1NCCc1nc[nH]n1	ZINC000070646482	371049889	/nfs/dbraw/zinc/04/98/89/371049889.db2.gz	OEDCPMFUQKKGBB-UHFFFAOYSA-N	0	1	214.232	0.726	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCCN1CC=CCC1	ZINC000392870397	371469467	/nfs/dbraw/zinc/46/94/67/371469467.db2.gz	IRQTVBMUTOGQMB-NSHDSACASA-N	0	1	221.304	0.914	20	30		BCEDMN
N#Cc1csc(CN[C@H]2COC[C@H]2O)c1	ZINC000134220899	372183076	/nfs/dbraw/zinc/18/30/76/372183076.db2.gz	BAWAPHXRONIZPY-VHSXEESVSA-N	0	1	224.285	0.469	20	30		BCEDMN
C=CC1CCN(C(=O)CCc2nn[nH]n2)CC1	ZINC000631223231	372246885	/nfs/dbraw/zinc/24/68/85/372246885.db2.gz	XQIPYSLUDXWXDF-UHFFFAOYSA-N	0	1	235.291	0.557	20	30		BCEDMN
C=C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1	ZINC000632780687	373138599	/nfs/dbraw/zinc/13/85/99/373138599.db2.gz	NPVCMLUFJNUHMW-SECBINFHSA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CCc1c[nH]nn1	ZINC000633357233	373491452	/nfs/dbraw/zinc/49/14/52/373491452.db2.gz	LJFKIHWEYNVQJL-SNVBAGLBSA-N	0	1	238.291	0.181	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CCc1cnn[nH]1	ZINC000633357233	373491454	/nfs/dbraw/zinc/49/14/54/373491454.db2.gz	LJFKIHWEYNVQJL-SNVBAGLBSA-N	0	1	238.291	0.181	20	30		BCEDMN
C=C(CC)CNC(=O)CCc1c[nH]nn1	ZINC000633358652	373493108	/nfs/dbraw/zinc/49/31/08/373493108.db2.gz	JFXFKXJDQDEANB-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=C(CC)CNC(=O)CCc1cnn[nH]1	ZINC000633358652	373493118	/nfs/dbraw/zinc/49/31/18/373493118.db2.gz	JFXFKXJDQDEANB-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nn[nH]n1	ZINC000633646625	373655966	/nfs/dbraw/zinc/65/59/66/373655966.db2.gz	ILQVRFPOBSFUMW-AOOOYVTPSA-N	0	1	247.302	0.842	20	30		BCEDMN
C=CCCCCCNC(=O)CCc1nn[nH]n1	ZINC000633586921	373613871	/nfs/dbraw/zinc/61/38/71/373613871.db2.gz	YAGHGZUDLNYCEQ-UHFFFAOYSA-N	0	1	237.307	0.995	20	30		BCEDMN
C=C1CC(C)(C(=O)NCCN2CC[C@H](O)C2)C1	ZINC000633698747	373694897	/nfs/dbraw/zinc/69/48/97/373694897.db2.gz	MSTSTYNMHKWQDX-NSHDSACASA-N	0	1	238.331	0.526	20	30		BCEDMN
CC#CCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000189896072	206015922	/nfs/dbraw/zinc/01/59/22/206015922.db2.gz	RIJOMGPEQBCETN-GFCCVEGCSA-N	0	1	224.348	0.787	20	30		BCEDMN
CCOC(=O)COCCN[C@H]1CCC[C@H]1C#N	ZINC000459492121	206131883	/nfs/dbraw/zinc/13/18/83/206131883.db2.gz	ZSOGHSSXYBZQCN-QWRGUYRKSA-N	0	1	240.303	0.848	20	30		BCEDMN
CN(C)CCNS(=O)(=O)CC(C)(C)CC#N	ZINC000332429574	383950147	/nfs/dbraw/zinc/95/01/47/383950147.db2.gz	BEDFAXMXQRBXTF-UHFFFAOYSA-N	0	1	247.364	0.407	20	30		BCEDMN
CC(C)C(=O)NCCNC[C@H](C#N)CCC#N	ZINC000558482880	384031913	/nfs/dbraw/zinc/03/19/13/384031913.db2.gz	ARCSDQGDDZHFAS-NSHDSACASA-N	0	1	236.319	0.792	20	30		BCEDMN
C#CCCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1	ZINC000282365779	533035412	/nfs/dbraw/zinc/03/54/12/533035412.db2.gz	DOQFAEJLNWLWBW-GHMZBOCLSA-N	0	1	225.288	0.662	20	30		BCEDMN
COC(=O)[C@@](C)(O)CN1CCC(C#N)CC1	ZINC000408384402	384179256	/nfs/dbraw/zinc/17/92/56/384179256.db2.gz	ZHVYAJAGGNFFLJ-NSHDSACASA-N	0	1	226.276	0.146	20	30		BCEDMN
C#CCCNC(=O)[C@H]1CN(C(C)C)CCO1	ZINC000367481313	533066250	/nfs/dbraw/zinc/06/62/50/533066250.db2.gz	SQBLCNDUOWZXLY-LLVKDONJSA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000556740545	384468873	/nfs/dbraw/zinc/46/88/73/384468873.db2.gz	AYPPFABAIPZYOD-GARJFASQSA-N	0	1	238.335	0.880	20	30		BCEDMN
CO[C@H]1C[C@@H](C(=O)N(C)[C@@H](C)CC#N)N(C)C1	ZINC000408042880	384723840	/nfs/dbraw/zinc/72/38/40/384723840.db2.gz	UTDSYDHERGAIOM-DCAQKATOSA-N	0	1	239.319	0.466	20	30		BCEDMN
CC#CCN(C)C(=O)[C@H]1CCCC[N@H+]1C	ZINC000647540829	384693205	/nfs/dbraw/zinc/69/32/05/384693205.db2.gz	BNXBYFCWOWYLFC-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
CC#CCN(C)C(=O)[C@H]1CCCCN1C	ZINC000647540829	384693213	/nfs/dbraw/zinc/69/32/13/384693213.db2.gz	BNXBYFCWOWYLFC-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCC(=O)OCC	ZINC000050067356	384694680	/nfs/dbraw/zinc/69/46/80/384694680.db2.gz	YKPQMLNWWMOAJY-SNVBAGLBSA-N	0	1	240.303	0.009	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CC[C@H]2CN(C)C[C@H]21	ZINC000644302816	384817321	/nfs/dbraw/zinc/81/73/21/384817321.db2.gz	SSHQHUOHVXYXAL-WDEREUQCSA-N	0	1	244.360	0.528	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NC(=O)c1ncn[nH]1	ZINC000087444091	384794858	/nfs/dbraw/zinc/79/48/58/384794858.db2.gz	QVDIXTSBEGRLKR-RQJHMYQMSA-N	0	1	205.221	0.227	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NC(=O)c1nc[nH]n1	ZINC000087444091	384794862	/nfs/dbraw/zinc/79/48/62/384794862.db2.gz	QVDIXTSBEGRLKR-RQJHMYQMSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=CCCS(=O)(=O)N1CC[C@H]2CN(C)C[C@H]21	ZINC000644298929	384809034	/nfs/dbraw/zinc/80/90/34/384809034.db2.gz	IBOMUXZOTMLFDY-WDEREUQCSA-N	0	1	244.360	0.528	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N1CCN[C@H](C)C1	ZINC000188372529	384880397	/nfs/dbraw/zinc/88/03/97/384880397.db2.gz	XJCODZBMWZPKNT-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CO)CC1	ZINC000339753759	384882186	/nfs/dbraw/zinc/88/21/86/384882186.db2.gz	VAYQSZZMENVWSI-RYUDHWBXSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635765888	384907139	/nfs/dbraw/zinc/90/71/39/384907139.db2.gz	IWJLXJGMYMDZDP-HBNTYKKESA-N	0	1	249.314	0.814	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCCO[C@@H](C)C1	ZINC000245401180	384971135	/nfs/dbraw/zinc/97/11/35/384971135.db2.gz	DKGTYJBZPCKPQY-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC#CCCN1CC[C@H](S(=O)(=O)NC)C1	ZINC000156850681	384988672	/nfs/dbraw/zinc/98/86/72/384988672.db2.gz	ZXSBYCPSVGCADY-JTQLQIEISA-N	0	1	230.333	0.023	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](n2cccn2)C1	ZINC000361594347	385018244	/nfs/dbraw/zinc/01/82/44/385018244.db2.gz	JQIMPNXVLGVVBU-RYUDHWBXSA-N	0	1	248.330	0.821	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000646912307	385065292	/nfs/dbraw/zinc/06/52/92/385065292.db2.gz	QZUFUDFNGNAOSJ-XVKPBYJWSA-N	0	1	223.276	0.312	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H](C)O	ZINC000245902774	385082140	/nfs/dbraw/zinc/08/21/40/385082140.db2.gz	UIEQDWFIAUVOKS-NWDGAFQWSA-N	0	1	240.347	0.888	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@H]1C[C@@H](C)O	ZINC000157361708	385150206	/nfs/dbraw/zinc/15/02/06/385150206.db2.gz	SAKRWOMKZLNADX-JHJVBQTASA-N	0	1	243.347	0.785	20	30		BCEDMN
C=CC[C@H](CO)CNCc1cn(C)nn1	ZINC000308867619	385225287	/nfs/dbraw/zinc/22/52/87/385225287.db2.gz	GWGIPXYEQVVGFU-VIFPVBQESA-N	0	1	210.281	0.089	20	30		BCEDMN
CC[C@@H](C(=O)Nc1n[nH]c(C)c1C#N)N(C)C	ZINC000287748857	385228637	/nfs/dbraw/zinc/22/86/37/385228637.db2.gz	CSONNCVZLKFXOL-VIFPVBQESA-N	0	1	235.291	0.869	20	30		BCEDMN
CCN(CCC(=O)NC(N)=O)C[C@@H](C)C#N	ZINC000157649657	385245465	/nfs/dbraw/zinc/24/54/65/385245465.db2.gz	TVYKIZYXXGAARW-QMMMGPOBSA-N	0	1	226.280	0.053	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NCCn1cncn1	ZINC000330363603	385258821	/nfs/dbraw/zinc/25/88/21/385258821.db2.gz	LLYDPRNNAFZIQM-VHSXEESVSA-N	0	1	205.265	0.560	20	30		BCEDMN
C[C@H]1CN(CCC#N)CC[N@H+]1CC(C)(C)O	ZINC000408441749	385295265	/nfs/dbraw/zinc/29/52/65/385295265.db2.gz	GJDOSNJNRXGGQE-NSHDSACASA-N	0	1	225.336	0.677	20	30		BCEDMN
C=CC[C@@H](CO)NCc1ncc(C)n1C	ZINC000309167494	385446185	/nfs/dbraw/zinc/44/61/85/385446185.db2.gz	JSHZGKHZVQUJAB-JTQLQIEISA-N	0	1	209.293	0.755	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000408032993	385515528	/nfs/dbraw/zinc/51/55/28/385515528.db2.gz	GFGNDXTZAKKFCM-RKDXNWHRSA-N	0	1	247.302	0.528	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000408032993	385515532	/nfs/dbraw/zinc/51/55/32/385515532.db2.gz	GFGNDXTZAKKFCM-RKDXNWHRSA-N	0	1	247.302	0.528	20	30		BCEDMN
COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000564344614	385535171	/nfs/dbraw/zinc/53/51/71/385535171.db2.gz	SMWXDWGZWYMCRS-LLVKDONJSA-N	0	1	245.282	0.948	20	30		BCEDMN
C#C[C@@H](C)N(C)c1nc2[nH]ncc2c(=O)[nH]1	ZINC000491696033	385520774	/nfs/dbraw/zinc/52/07/74/385520774.db2.gz	DKGFQSRJNUGCFT-ZCFIWIBFSA-N	0	1	217.232	0.516	20	30		BCEDMN
N#Cc1ccnc(SCc2nn[nH]n2)c1	ZINC000490438748	385526104	/nfs/dbraw/zinc/52/61/04/385526104.db2.gz	AAGCQUDWRHLCTR-UHFFFAOYSA-N	0	1	218.245	0.759	20	30		BCEDMN
CC#CCN(C)CCn1ccccc1=O	ZINC000645262158	385667641	/nfs/dbraw/zinc/66/76/41/385667641.db2.gz	IQWDFKFMRWFWEM-UHFFFAOYSA-N	0	1	204.273	0.803	20	30		BCEDMN
C[C@@H](C#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000347562023	385741527	/nfs/dbraw/zinc/74/15/27/385741527.db2.gz	MADGDFIRVSOEAP-IUCAKERBSA-N	0	1	227.333	0.452	20	30		BCEDMN
C[C@H](C(=O)NC1CCN(CC#N)CC1)N(C)C	ZINC000602097040	385760906	/nfs/dbraw/zinc/76/09/06/385760906.db2.gz	QKPUDCRJLZSSNV-SNVBAGLBSA-N	0	1	238.335	0.041	20	30		BCEDMN
C[C@@H](C[S@@](C)=O)N(C)CCCC#N	ZINC000185115601	385720235	/nfs/dbraw/zinc/72/02/35/385720235.db2.gz	UNPHTEVXSQXVJS-TVQRCGJNSA-N	0	1	202.323	0.989	20	30		BCEDMN
CN(C(=O)[C@H]1CNCCO1)[C@@H]1CCC[C@@H]1C#N	ZINC000602597351	385809493	/nfs/dbraw/zinc/80/94/93/385809493.db2.gz	BDUSNMZDZFZISW-GMTAPVOTSA-N	0	1	237.303	0.125	20	30		BCEDMN
CO/N=C/C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000283715546	385830144	/nfs/dbraw/zinc/83/01/44/385830144.db2.gz	KDWHNOJCPOHQAG-PKTIUJEHSA-N	0	1	224.264	0.398	20	30		BCEDMN
C#CCN1CCCC[C@H]1Cn1ccnn1	ZINC000369282246	533151931	/nfs/dbraw/zinc/15/19/31/533151931.db2.gz	ZJOSLPLQMNXQHC-NSHDSACASA-N	0	1	204.277	0.766	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cccn2C)CC1	ZINC000363452152	533150372	/nfs/dbraw/zinc/15/03/72/533150372.db2.gz	BJKZRKINWWRUAT-UHFFFAOYSA-N	0	1	245.326	0.853	20	30		BCEDMN
C[C@@H](Cn1cncn1)NCc1ccc(C#N)o1	ZINC000266214487	385934710	/nfs/dbraw/zinc/93/47/10/385934710.db2.gz	PIPFWGZGMHKLMX-VIFPVBQESA-N	0	1	231.259	0.921	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCC(F)(F)[C@@H](CO)C1	ZINC000643387576	385948225	/nfs/dbraw/zinc/94/82/25/385948225.db2.gz	UJQIQDFMFRWLFB-ZJUUUORDSA-N	0	1	235.274	0.873	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@](C)(O)C1	ZINC000124201412	385999477	/nfs/dbraw/zinc/99/94/77/385999477.db2.gz	NHAKZIULTNKHQR-LLVKDONJSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCN1CC[C@@H](N2C[C@@H](O)C(C)(C)C2)C1=O	ZINC000334460939	386122769	/nfs/dbraw/zinc/12/27/69/386122769.db2.gz	ODARBLUVMUVJHF-GHMZBOCLSA-N	0	1	238.331	0.476	20	30		BCEDMN
CSc1n[nH]c(NC(=O)[C@H](C)C#N)n1	ZINC000347038414	386226412	/nfs/dbraw/zinc/22/64/12/386226412.db2.gz	OUMLHHPUYSQMPD-SCSAIBSYSA-N	0	1	211.250	0.625	20	30		BCEDMN
C=CCCC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C	ZINC000416300235	386264481	/nfs/dbraw/zinc/26/44/81/386264481.db2.gz	SYWAOYGOUZIMGC-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)NCC	ZINC000181300473	386346401	/nfs/dbraw/zinc/34/64/01/386346401.db2.gz	IUYXMNJFLUPHEB-VIFPVBQESA-N	0	1	227.308	0.729	20	30		BCEDMN
C=CCNC(=O)CN[C@H](C)c1cnn(C)c1C	ZINC000181161970	386336737	/nfs/dbraw/zinc/33/67/37/386336737.db2.gz	PDVNCHCPVOMZBM-SECBINFHSA-N	0	1	236.319	0.681	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)c1cccnc1	ZINC000519424449	386439518	/nfs/dbraw/zinc/43/95/18/386439518.db2.gz	ZTCCDBQKEBVHBO-PSASIEDQSA-N	0	1	247.254	0.572	20	30		BCEDMN
CN(C)CC(=O)NCC1CCC(C#N)CC1	ZINC000408427982	386577505	/nfs/dbraw/zinc/57/75/05/386577505.db2.gz	AWWAFBCIQOJEQP-UHFFFAOYSA-N	0	1	223.320	0.994	20	30		BCEDMN
C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000123667965	386562870	/nfs/dbraw/zinc/56/28/70/386562870.db2.gz	QKIIXKDDUXAQRB-MNOVXSKESA-N	0	1	239.319	0.252	20	30		BCEDMN
CO[C@H]1CCN(CC(=O)NCC#N)[C@@H](C)C1	ZINC000408424111	386572679	/nfs/dbraw/zinc/57/26/79/386572679.db2.gz	CYQRZKRKGLOCOT-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
[O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1CCC1	ZINC000328856983	386635027	/nfs/dbraw/zinc/63/50/27/386635027.db2.gz	DCGOOVRZYAQSSM-VIFPVBQESA-N	0	1	220.276	0.818	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@@H]1CCCOC1	ZINC000328659598	386604337	/nfs/dbraw/zinc/60/43/37/386604337.db2.gz	TVJQHAKGFGNYNE-NSHDSACASA-N	0	1	241.335	0.622	20	30		BCEDMN
C=C(C)CNC(=O)[C@@H](C)CN1CCOCC1	ZINC000428125552	386665514	/nfs/dbraw/zinc/66/55/14/386665514.db2.gz	MNKOXPLPYWJWQO-NSHDSACASA-N	0	1	226.320	0.647	20	30		BCEDMN
Cn1cc(CN[C@H]2CCCNC2=O)cc1C#N	ZINC000232315083	386681002	/nfs/dbraw/zinc/68/10/02/386681002.db2.gz	RSIBZIIYLNXZGT-NSHDSACASA-N	0	1	232.287	0.265	20	30		BCEDMN
CC[C@H](COC)NC(=O)N(C)Cc1nnc[nH]1	ZINC000330485568	386733509	/nfs/dbraw/zinc/73/35/09/386733509.db2.gz	AXIWTVHCQHLHBT-MRVPVSSYSA-N	0	1	241.295	0.576	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cn(C)nn1	ZINC000321183985	386713760	/nfs/dbraw/zinc/71/37/60/386713760.db2.gz	ZZDSLOPANYBAIX-VIFPVBQESA-N	0	1	210.281	0.232	20	30		BCEDMN
C=CCOCCN1CCNC(=O)C[C@H]1C	ZINC000645102883	386721755	/nfs/dbraw/zinc/72/17/55/386721755.db2.gz	OBGIRAXOMQQZCI-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
CNC(=O)NC(=O)CCN1CCC[C@H]1C(N)=O	ZINC000330448181	386741358	/nfs/dbraw/zinc/74/13/58/386741358.db2.gz	YXZIYTSKQIUDBL-ZETCQYMHSA-N	0	1	242.279	0.036	20	30		BCEDMN
CC#CCN(C)C(=O)CN1CCN(CC)CC1	ZINC000341032993	386824849	/nfs/dbraw/zinc/82/48/49/386824849.db2.gz	XOZWNLONJILISU-UHFFFAOYSA-N	0	1	237.347	0.106	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@H]1CCCN1C	ZINC000330707310	386861406	/nfs/dbraw/zinc/86/14/06/386861406.db2.gz	PKFRZOZBSOPFLJ-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCN1C	ZINC000330707308	386861974	/nfs/dbraw/zinc/86/19/74/386861974.db2.gz	PKFRZOZBSOPFLJ-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
CC(C)c1nnc(CNC(=O)c2cnn[nH]2)n1C	ZINC000330734097	386885789	/nfs/dbraw/zinc/88/57/89/386885789.db2.gz	LDSHRSTUUACJJI-UHFFFAOYSA-N	0	1	249.278	0.561	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@H](C)C(=O)[O-]	ZINC000519002231	386983566	/nfs/dbraw/zinc/98/35/66/386983566.db2.gz	ZORRHHASROULLL-RKDXNWHRSA-N	0	1	201.266	0.718	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCN(CC2CC2)CC1	ZINC000052164802	386990260	/nfs/dbraw/zinc/99/02/60/386990260.db2.gz	MXJWJDDVOXMMHV-LBPRGKRZSA-N	0	1	249.358	0.152	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCN(CC2CC2)CC1	ZINC000052164803	386991953	/nfs/dbraw/zinc/99/19/53/386991953.db2.gz	MXJWJDDVOXMMHV-GFCCVEGCSA-N	0	1	249.358	0.152	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000375503891	533206551	/nfs/dbraw/zinc/20/65/51/533206551.db2.gz	AJUJMYQRZKQFES-BDAKNGLRSA-N	0	1	232.287	0.438	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000375503891	533206554	/nfs/dbraw/zinc/20/65/54/533206554.db2.gz	AJUJMYQRZKQFES-BDAKNGLRSA-N	0	1	232.287	0.438	20	30		BCEDMN
C[C@H](C#N)NC(=O)c1ccc2cncn2c1	ZINC000334885208	387027666	/nfs/dbraw/zinc/02/76/66/387027666.db2.gz	MSRUIAGPMSORKM-MRVPVSSYSA-N	0	1	214.228	0.976	20	30		BCEDMN
C#CC[C@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000368205398	533211668	/nfs/dbraw/zinc/21/16/68/533211668.db2.gz	OZYHZUKQRRZQGW-UWVGGRQHSA-N	0	1	246.314	0.978	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)N1CCNCC1	ZINC000418155395	387177110	/nfs/dbraw/zinc/17/71/10/387177110.db2.gz	ZBIWTLTUUQTNJO-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
N#CCCC[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000062980013	387190025	/nfs/dbraw/zinc/19/00/25/387190025.db2.gz	PHKYHZTVXCOWMQ-LBPRGKRZSA-N	0	1	223.320	0.697	20	30		BCEDMN
N#CCCC[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000062980012	387190455	/nfs/dbraw/zinc/19/04/55/387190455.db2.gz	PHKYHZTVXCOWMQ-GFCCVEGCSA-N	0	1	223.320	0.697	20	30		BCEDMN
C[C@](C#N)(NC(=O)CN1CCCC1)C1CC1	ZINC000007016160	387240763	/nfs/dbraw/zinc/24/07/63/387240763.db2.gz	JUWXECRAELTTTA-GFCCVEGCSA-N	0	1	221.304	0.891	20	30		BCEDMN
CC(C)[C@@H]1CN(C(=O)[C@H](C)C#N)CCN1C	ZINC000336419585	387246545	/nfs/dbraw/zinc/24/65/45/387246545.db2.gz	NFCDNUADGQSDDY-MNOVXSKESA-N	0	1	223.320	0.945	20	30		BCEDMN
COCCO[C@@H]1COCC[C@@H]1NCCC#N	ZINC000515166853	387341546	/nfs/dbraw/zinc/34/15/46/387341546.db2.gz	LEBDEALDMPNVSI-WDEREUQCSA-N	0	1	228.292	0.310	20	30		BCEDMN
Cn1cc(CN2CCC[C@H](O)C2)cc1C#N	ZINC000191163994	387350732	/nfs/dbraw/zinc/35/07/32/387350732.db2.gz	DNWAHXKROGVYPR-LBPRGKRZSA-N	0	1	219.288	0.853	20	30		BCEDMN
C=C(C)[C@@H](CC(=O)NCc1nnc[nH]1)OCC	ZINC000270088075	387425650	/nfs/dbraw/zinc/42/56/50/387425650.db2.gz	WQHHVNSTQVZINE-SECBINFHSA-N	0	1	238.291	0.792	20	30		BCEDMN
C#CCN(CC)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000270568617	387433962	/nfs/dbraw/zinc/43/39/62/387433962.db2.gz	MTALSMRGMBEVHC-UHFFFAOYSA-N	0	1	249.270	0.712	20	30		BCEDMN
C[C@H](NCC(=O)NC1(C#N)CCC1)c1cn[nH]c1	ZINC000526136010	387449736	/nfs/dbraw/zinc/44/97/36/387449736.db2.gz	ISOOCCSLXDVLCV-VIFPVBQESA-N	0	1	247.302	0.623	20	30		BCEDMN
C#CCN1CCC(C(=O)NCC(=O)C2CC2)CC1	ZINC000272918811	387452831	/nfs/dbraw/zinc/45/28/31/387452831.db2.gz	JGYOOAFDHSPADW-UHFFFAOYSA-N	0	1	248.326	0.427	20	30		BCEDMN
C#CCN(CC)CCN1C(=O)CCC1=O	ZINC000266892871	387404929	/nfs/dbraw/zinc/40/49/29/387404929.db2.gz	DKKNHMWQBATKEU-UHFFFAOYSA-N	0	1	208.261	0.091	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCOC1	ZINC000267445403	387409974	/nfs/dbraw/zinc/40/99/74/387409974.db2.gz	PYYHKMWKDXMXKF-QWRGUYRKSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CCN(CC#C)CCC1OCCCO1	ZINC000267985027	387412524	/nfs/dbraw/zinc/41/25/24/387412524.db2.gz	YXAAKGNULHQZDB-UHFFFAOYSA-N	0	1	207.273	0.708	20	30		BCEDMN
C#CCN1CCC([C@H](O)c2nccn2C)CC1	ZINC000269736234	387423311	/nfs/dbraw/zinc/42/33/11/387423311.db2.gz	ZWIPEFSANBMVFZ-LBPRGKRZSA-N	0	1	233.315	0.799	20	30		BCEDMN
C=CCNC(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000424061727	387474438	/nfs/dbraw/zinc/47/44/38/387474438.db2.gz	GAICSBIJWYNDAB-QMMMGPOBSA-N	0	1	221.264	0.490	20	30		BCEDMN
C=C(C)CCN1CCN(C(=O)NC)CC1	ZINC000274754937	387488603	/nfs/dbraw/zinc/48/86/03/387488603.db2.gz	CANIEMAKLKVYIU-UHFFFAOYSA-N	0	1	211.309	0.910	20	30		BCEDMN
C=C(C)CCN(CCOC)CC(=O)N(C)C	ZINC000274742765	387493316	/nfs/dbraw/zinc/49/33/16/387493316.db2.gz	FMPPFXUBJJBWIU-UHFFFAOYSA-N	0	1	228.336	0.989	20	30		BCEDMN
CC#CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000527531883	387604530	/nfs/dbraw/zinc/60/45/30/387604530.db2.gz	FRISWVLTDPSFET-SUNKGSAMSA-N	0	1	211.330	0.995	20	30		BCEDMN
C#CCN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1	ZINC000277932603	387549395	/nfs/dbraw/zinc/54/93/95/387549395.db2.gz	YSXDRDMJESFWDJ-RYUDHWBXSA-N	0	1	219.288	0.061	20	30		BCEDMN
C=CCCCS(=O)(=O)NC[C@H](C)N(C)C	ZINC000451938674	387683382	/nfs/dbraw/zinc/68/33/82/387683382.db2.gz	VRILCSMXQUVNAC-JTQLQIEISA-N	0	1	234.365	0.822	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1C	ZINC000245930621	387995386	/nfs/dbraw/zinc/99/53/86/387995386.db2.gz	PFGOQXYUSGTPCK-NXEZZACHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1	ZINC000424467951	388012456	/nfs/dbraw/zinc/01/24/56/388012456.db2.gz	NITIIADPLMGGCM-GARJFASQSA-N	0	1	236.319	0.682	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)COCC=C	ZINC000490873384	388257477	/nfs/dbraw/zinc/25/74/77/388257477.db2.gz	IYHVSEBMMGUMGJ-LBPRGKRZSA-N	0	1	237.299	0.830	20	30		BCEDMN
C#CC(C)(C)NC(=O)CN(C)[C@H]1CCSC1	ZINC000490897772	388258538	/nfs/dbraw/zinc/25/85/38/388258538.db2.gz	FITYNRJOKYXOBZ-JTQLQIEISA-N	0	1	240.372	0.952	20	30		BCEDMN
Cc1cc(C[C@H](C)NC(=O)[C@H](C)C#N)n[nH]1	ZINC000488996002	388200584	/nfs/dbraw/zinc/20/05/84/388200584.db2.gz	KCPWJXIRYFTDSM-SFYZADRCSA-N	0	1	220.276	0.925	20	30		BCEDMN
C=CCCCS(=O)(=O)NCCN(C)C1CC1	ZINC000489118417	388204292	/nfs/dbraw/zinc/20/42/92/388204292.db2.gz	SVKNYWZAFBEVAG-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
C[C@@H](NCC(N)=O)c1cccc(C#N)c1	ZINC000037183985	388210352	/nfs/dbraw/zinc/21/03/52/388210352.db2.gz	QUOXXQIHUYGPQL-MRVPVSSYSA-N	0	1	203.245	0.694	20	30		BCEDMN
C=C(CC)CNC(=O)CN1CCN(CC)CC1	ZINC000456814717	388225105	/nfs/dbraw/zinc/22/51/05/388225105.db2.gz	UYENZMOVBAWOET-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1nc[nH]n1)C(C)C	ZINC000490630505	388244276	/nfs/dbraw/zinc/24/42/76/388244276.db2.gz	QWGBJHVANFVRAF-SECBINFHSA-N	0	1	220.276	0.511	20	30		BCEDMN
C#CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000490657626	388246772	/nfs/dbraw/zinc/24/67/72/388246772.db2.gz	XMEUIIGHHDJZKP-LLVKDONJSA-N	0	1	221.304	0.498	20	30		BCEDMN
C#CCN(C)CCc1nnnn1-c1ccccc1	ZINC000491315938	388284720	/nfs/dbraw/zinc/28/47/20/388284720.db2.gz	QWPHEGOOCXWRMW-UHFFFAOYSA-N	0	1	241.298	0.770	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccccc1	ZINC000491381843	388290388	/nfs/dbraw/zinc/29/03/88/388290388.db2.gz	GPMUUKZCRPIZIR-NWDGAFQWSA-N	0	1	205.257	0.304	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@H](C)CN1CCOCC1	ZINC000491384121	388290696	/nfs/dbraw/zinc/29/06/96/388290696.db2.gz	NNHHESIJOMJQCJ-VXGBXAGGSA-N	0	1	238.331	0.435	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@H](C)CN1CCOCC1	ZINC000491384118	388290944	/nfs/dbraw/zinc/29/09/44/388290944.db2.gz	NNHHESIJOMJQCJ-NEPJUHHUSA-N	0	1	238.331	0.435	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CCCC(C)(C)C2)C1=O	ZINC000491387678	388291219	/nfs/dbraw/zinc/29/12/19/388291219.db2.gz	YJQNILWSOAZRAN-LLVKDONJSA-N	0	1	248.326	0.869	20	30		BCEDMN
CN(CC(=O)NCC#N)[C@@H](CO)CC(C)(C)C	ZINC000451785838	388295949	/nfs/dbraw/zinc/29/59/49/388295949.db2.gz	VTZPWZGKPPUZMS-SNVBAGLBSA-N	0	1	241.335	0.355	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCCC)CC1	ZINC000491535913	388302226	/nfs/dbraw/zinc/30/22/26/388302226.db2.gz	GDGZDJWWQHFALG-UHFFFAOYSA-N	0	1	224.304	0.789	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H](C)N1CC(C)C1	ZINC000491569512	388304207	/nfs/dbraw/zinc/30/42/07/388304207.db2.gz	WFFBKSVIUAIFJC-CYBMUJFWSA-N	0	1	232.327	0.812	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)[C@@H](C)N1CC(C)C1	ZINC000491672302	388309892	/nfs/dbraw/zinc/30/98/92/388309892.db2.gz	TWSQKYRLGRFPMG-VXGBXAGGSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccccc1C	ZINC000491691143	388311079	/nfs/dbraw/zinc/31/10/79/388311079.db2.gz	DERULLHHFYTANU-YPMHNXCESA-N	0	1	219.284	0.612	20	30		BCEDMN
C#CCN(C)CCCNC(=O)C(=O)C(C)C	ZINC000491693670	388311477	/nfs/dbraw/zinc/31/14/77/388311477.db2.gz	LBXOJBQTHOCTCZ-UHFFFAOYSA-N	0	1	224.304	0.283	20	30		BCEDMN
C#CCNC(=O)CCN[C@H]1CCCc2c[nH]nc21	ZINC000491695760	388311754	/nfs/dbraw/zinc/31/17/54/388311754.db2.gz	HXWDZUQUYWLNOR-NSHDSACASA-N	0	1	246.314	0.516	20	30		BCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCN(CC)CC	ZINC000491742701	388317100	/nfs/dbraw/zinc/31/71/00/388317100.db2.gz	QPDJKUYQLLEENI-LLVKDONJSA-N	0	1	246.376	0.612	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H](C)N1CC(C)C1	ZINC000491747030	388317152	/nfs/dbraw/zinc/31/71/52/388317152.db2.gz	VZGIVJZCFNYQHI-GFCCVEGCSA-N	0	1	218.300	0.422	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1cccc(Cl)c1	ZINC000491805103	388321762	/nfs/dbraw/zinc/32/17/62/388321762.db2.gz	ODAWDCVXKMVKQT-NEPJUHHUSA-N	0	1	239.702	0.957	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000491820068	388323899	/nfs/dbraw/zinc/32/38/99/388323899.db2.gz	WRWCFRLTLRPPGN-DJLDLDEBSA-N	0	1	210.233	0.570	20	30		BCEDMN
C#CCN1CCC(OC(=O)N(C)C)CC1	ZINC000491071049	388268081	/nfs/dbraw/zinc/26/80/81/388268081.db2.gz	HMXYQYOUWGPZIL-UHFFFAOYSA-N	0	1	210.277	0.782	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCOC[C@H]1C1CC1	ZINC000491120978	388271107	/nfs/dbraw/zinc/27/11/07/388271107.db2.gz	OWRKAFZWGXETHX-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC[C@H]1C1CC1	ZINC000491120978	388271109	/nfs/dbraw/zinc/27/11/09/388271109.db2.gz	OWRKAFZWGXETHX-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@H](CC)C1	ZINC000491120791	388271403	/nfs/dbraw/zinc/27/14/03/388271403.db2.gz	NTVHCEJJMRSCAR-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](C(C)C)C1	ZINC000491165679	388274466	/nfs/dbraw/zinc/27/44/66/388274466.db2.gz	MVMFRPLRXMCZRD-LBPRGKRZSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCNC(=O)CCN(CC#C)CC#CC	ZINC000491202160	388277471	/nfs/dbraw/zinc/27/74/71/388277471.db2.gz	MFDSYSZJGGUWLI-UHFFFAOYSA-N	0	1	216.284	0.084	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(OC)nc1	ZINC000393837050	388444360	/nfs/dbraw/zinc/44/43/60/388444360.db2.gz	OKEVHJVYPONUPU-UHFFFAOYSA-N	0	1	235.287	0.482	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCC[C@H](NC(=O)CC)C1	ZINC000649273266	388488031	/nfs/dbraw/zinc/48/80/31/388488031.db2.gz	VWAORZRUZYJXGW-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC#CCNC(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000135625654	388502571	/nfs/dbraw/zinc/50/25/71/388502571.db2.gz	UHWZNHKUASGCIS-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2ccc[nH]2)CC1	ZINC000517580989	388554651	/nfs/dbraw/zinc/55/46/51/388554651.db2.gz	BUQWKFWSFLAHRG-UHFFFAOYSA-N	0	1	232.287	0.732	20	30		BCEDMN
CS[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1	ZINC000521242251	388565616	/nfs/dbraw/zinc/56/56/16/388565616.db2.gz	XRMDSYYNLNWZBM-VIFPVBQESA-N	0	1	241.360	0.842	20	30		BCEDMN
CS[C@H](C)C(=O)NC1(C#N)CCN(C)CC1	ZINC000521242250	388565822	/nfs/dbraw/zinc/56/58/22/388565822.db2.gz	XRMDSYYNLNWZBM-SECBINFHSA-N	0	1	241.360	0.842	20	30		BCEDMN
CN(Cc1cccc(C#N)c1)[C@H]1COC[C@H]1O	ZINC000302354220	388620917	/nfs/dbraw/zinc/62/09/17/388620917.db2.gz	JCFYMMLQDBGEAW-QWHCGFSZSA-N	0	1	232.283	0.750	20	30		BCEDMN
CSc1n[nH]c(NC(=O)c2cc(C#N)c[nH]2)n1	ZINC000359076218	388629668	/nfs/dbraw/zinc/62/96/68/388629668.db2.gz	BIFYMJBWRBHKAC-UHFFFAOYSA-N	0	1	248.271	0.979	20	30		BCEDMN
Cn1cc(NC(=O)c2ccc(C#N)c(O)c2)nn1	ZINC000361158153	388636661	/nfs/dbraw/zinc/63/66/61/388636661.db2.gz	CDWWRTLAOZDLLR-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
COc1cc(C#N)ccc1Cn1nnnc1CN	ZINC000517932081	388661782	/nfs/dbraw/zinc/66/17/82/388661782.db2.gz	BUHXJAVARLPNFK-UHFFFAOYSA-N	0	1	244.258	0.060	20	30		BCEDMN
Cc1ccnc(N(C)Cc2n[nH]c(=O)o2)c1C#N	ZINC000425284342	388702995	/nfs/dbraw/zinc/70/29/95/388702995.db2.gz	QHCRBQGNECCCJI-UHFFFAOYSA-N	0	1	245.242	0.987	20	30		BCEDMN
N#Cc1ccc(C(=O)Nc2ccncc2O)nc1	ZINC000530644168	388715119	/nfs/dbraw/zinc/71/51/19/388715119.db2.gz	CFTONARUHWCZGA-UHFFFAOYSA-N	0	1	240.222	0.728	20	30		BCEDMN
Cc1nnc(NC(=O)c2cc(C#N)cn2C)[nH]1	ZINC000081747096	388721721	/nfs/dbraw/zinc/72/17/21/388721721.db2.gz	RSUMROWRKOHLOD-UHFFFAOYSA-N	0	1	230.231	0.576	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cc(C#N)cn2C)n1	ZINC000081747096	388721724	/nfs/dbraw/zinc/72/17/24/388721724.db2.gz	RSUMROWRKOHLOD-UHFFFAOYSA-N	0	1	230.231	0.576	20	30		BCEDMN
Cc1nc(CCNc2cnc(C#N)cn2)n[nH]1	ZINC000274702845	388733268	/nfs/dbraw/zinc/73/32/68/388733268.db2.gz	QPJAOWPMBADQGD-UHFFFAOYSA-N	0	1	229.247	0.429	20	30		BCEDMN
Cc1nnc(CCNc2cnc(C#N)cn2)[nH]1	ZINC000274702845	388733271	/nfs/dbraw/zinc/73/32/71/388733271.db2.gz	QPJAOWPMBADQGD-UHFFFAOYSA-N	0	1	229.247	0.429	20	30		BCEDMN
N#CCC[C@H](C#N)CNCCNC(=O)C1CC1	ZINC000554476037	388816491	/nfs/dbraw/zinc/81/64/91/388816491.db2.gz	GMCUZBNHKHUYRM-SNVBAGLBSA-N	0	1	234.303	0.546	20	30		BCEDMN
C#CCNC(=O)[C@H](N)c1ccc(C)cc1	ZINC000230797496	388830772	/nfs/dbraw/zinc/83/07/72/388830772.db2.gz	RXVGEMVSRRDMPU-LLVKDONJSA-N	0	1	202.257	0.744	20	30		BCEDMN
C[C@H](NC(=O)C1(C#N)CC(C)C1)c1nnc[nH]1	ZINC000229623352	388862127	/nfs/dbraw/zinc/86/21/27/388862127.db2.gz	WOKUJEHDQDMMEW-KAIZJQOQSA-N	0	1	233.275	0.922	20	30		BCEDMN
CC#CCCNC(=O)CN(C)[C@H]1CCSC1	ZINC000541746415	388866420	/nfs/dbraw/zinc/86/64/20/388866420.db2.gz	OWJGIELYEQWWRS-NSHDSACASA-N	0	1	240.372	0.953	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)CCc1cnc[nH]1	ZINC000649183432	388896933	/nfs/dbraw/zinc/89/69/33/388896933.db2.gz	SUQKDMBDKPRUMI-LLVKDONJSA-N	0	1	235.287	0.233	20	30		BCEDMN
CN1C(=O)C[C@@H](N2CCC(CC#N)CC2)C1=O	ZINC000541906118	388875327	/nfs/dbraw/zinc/87/53/27/388875327.db2.gz	WZACNCZJJYYSJA-SNVBAGLBSA-N	0	1	235.287	0.369	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000565103541	388915355	/nfs/dbraw/zinc/91/53/55/388915355.db2.gz	GGMZNZFYRGXVMK-HBNTYKKESA-N	0	1	243.303	0.487	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCCCc1cn[nH]c1C	ZINC000185983551	533228056	/nfs/dbraw/zinc/22/80/56/533228056.db2.gz	DOSIZBRYNLTKBX-SECBINFHSA-N	0	1	234.303	0.972	20	30		BCEDMN
OCC#CCNC[C@@H](O)COc1ccccc1	ZINC000565598832	388956915	/nfs/dbraw/zinc/95/69/15/388956915.db2.gz	ZGCREYOAJSXKLO-GFCCVEGCSA-N	0	1	235.283	0.012	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)CSC	ZINC000565841943	388972353	/nfs/dbraw/zinc/97/23/53/388972353.db2.gz	NIHQNWPHUNQMBG-RKDXNWHRSA-N	0	1	202.323	0.992	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)CSC	ZINC000565841938	388972407	/nfs/dbraw/zinc/97/24/07/388972407.db2.gz	NIHQNWPHUNQMBG-BDAKNGLRSA-N	0	1	202.323	0.992	20	30		BCEDMN
CC#CCN[C@H](Cc1ccccc1)C(N)=O	ZINC000273395477	389040641	/nfs/dbraw/zinc/04/06/41/389040641.db2.gz	JDSYJQBEBPJRFE-GFCCVEGCSA-N	0	1	216.284	0.696	20	30		BCEDMN
C#C[C@@H](NC(=O)c1cnn[nH]1)C(C)(C)C	ZINC000288328795	533261906	/nfs/dbraw/zinc/26/19/06/533261906.db2.gz	SHPNNIFWYCCMNG-MRVPVSSYSA-N	0	1	206.249	0.582	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCCN1CCCCC1	ZINC000184384696	533523974	/nfs/dbraw/zinc/52/39/74/533523974.db2.gz	YKDJEVLEGYKBLM-UHFFFAOYSA-N	0	1	246.376	0.968	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000336155783	533527731	/nfs/dbraw/zinc/52/77/31/533527731.db2.gz	NCGXFRINQZOFSS-WDEREUQCSA-N	0	1	246.376	0.965	20	30		BCEDMN
C=C(C)CN(C)CC(=O)N1CCN(C)CC1	ZINC000182386647	533495600	/nfs/dbraw/zinc/49/56/00/533495600.db2.gz	VFFXWWTUKSNLJT-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C=C(C)CN1CC[C@@H]2OCC(=O)N[C@@H]2C1	ZINC000366777825	533512331	/nfs/dbraw/zinc/51/23/31/533512331.db2.gz	OOSWUJHBTPZNRJ-ZJUUUORDSA-N	0	1	210.277	0.152	20	30		BCEDMN
C=C(C)CN1CC[C@H]2OCC(=O)N[C@@H]2C1	ZINC000366777822	533512706	/nfs/dbraw/zinc/51/27/06/533512706.db2.gz	OOSWUJHBTPZNRJ-NXEZZACHSA-N	0	1	210.277	0.152	20	30		BCEDMN
Cc1cc(CC(=O)N[C@@H](C#N)C2CC2)[nH]n1	ZINC000331635261	134000960	/nfs/dbraw/zinc/00/09/60/134000960.db2.gz	IQFALKXKBPCQQX-JTQLQIEISA-N	0	1	218.260	0.679	20	30		BCEDMN
CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCNC1=O	ZINC000332676471	134005900	/nfs/dbraw/zinc/00/59/00/134005900.db2.gz	ROQSIYOTQSURTP-OPRDCNLKSA-N	0	1	207.277	0.499	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCOC[C@H](C)C2)C1=O	ZINC000335920507	134007200	/nfs/dbraw/zinc/00/72/00/134007200.db2.gz	MMQDUHXHWAFRKK-VXGBXAGGSA-N	0	1	238.331	0.742	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)N(C)C[C@@H]1C	ZINC000351928804	134009474	/nfs/dbraw/zinc/00/94/74/134009474.db2.gz	WFJWQXVUGNQCEK-MNOVXSKESA-N	0	1	225.336	0.313	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C	ZINC000352008074	134035134	/nfs/dbraw/zinc/03/51/34/134035134.db2.gz	ZSJWJWWMMFNUSF-MNOVXSKESA-N	0	1	226.320	0.740	20	30		BCEDMN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CC(N(C)C)C1	ZINC000336203256	134131127	/nfs/dbraw/zinc/13/11/27/134131127.db2.gz	PMKPHZNYOSYISR-KCJUWKMLSA-N	0	1	207.277	0.309	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)N(C)C)C1	ZINC000336300006	134142431	/nfs/dbraw/zinc/14/24/31/134142431.db2.gz	WBHHTYYZAOEUDQ-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2ccc(C#N)cn12	ZINC000356243037	134177343	/nfs/dbraw/zinc/17/73/43/134177343.db2.gz	GLGIBLFSRYDNFP-LLVKDONJSA-N	0	1	242.282	0.842	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1	ZINC000358655595	134192189	/nfs/dbraw/zinc/19/21/89/134192189.db2.gz	ADDRAOIPNCSMMI-GVXVVHGQSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=CCNC(=O)CN[C@H]1CCCc2nn(C)cc21	ZINC000358997233	134193343	/nfs/dbraw/zinc/19/33/43/134193343.db2.gz	TVSGBMRRJYXZMS-NSHDSACASA-N	0	1	248.330	0.689	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NCCc1nc[nH]n1	ZINC000359757414	134196991	/nfs/dbraw/zinc/19/69/91/134196991.db2.gz	STAYMRAWUKHRLE-VIFPVBQESA-N	0	1	238.291	0.445	20	30		BCEDMN
CC#CCCN1CCC(O)(C(=O)OCC)CC1	ZINC000360450334	134200656	/nfs/dbraw/zinc/20/06/56/134200656.db2.gz	VFAOYKAFOULNLT-UHFFFAOYSA-N	0	1	239.315	0.790	20	30		BCEDMN
CCN(CC(=O)N1CC(C)(C#N)C1)C1CC1	ZINC000361233380	134204091	/nfs/dbraw/zinc/20/40/91/134204091.db2.gz	XCRDCZMQRJJQHW-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@H](OC)C1	ZINC000361357910	134204680	/nfs/dbraw/zinc/20/46/80/134204680.db2.gz	UOZOIRDXSAAIRT-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
N#C[C@@H]1CN(C(=O)c2ccn[nH]2)CCN1C1CC1	ZINC000363079965	134215060	/nfs/dbraw/zinc/21/50/60/134215060.db2.gz	PEGITQITJVAAFN-SNVBAGLBSA-N	0	1	245.286	0.222	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)=NO1	ZINC000367785279	134216332	/nfs/dbraw/zinc/21/63/32/134216332.db2.gz	QRTCBNJRUIBWDC-VQVTYTSYSA-N	0	1	235.247	0.147	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000367963570	134216807	/nfs/dbraw/zinc/21/68/07/134216807.db2.gz	MPFGFTWGDKCLQC-UWVGGRQHSA-N	0	1	228.255	0.003	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@H]2CCOC(=O)[C@@H]21	ZINC000368376489	134218419	/nfs/dbraw/zinc/21/84/19/134218419.db2.gz	FHGTVXLDWCJWLY-SDDRHHMPSA-N	0	1	239.315	0.951	20	30		BCEDMN
C=C(Cl)CNC(=O)c1[nH]nc2c1CNCC2	ZINC000372899186	134233003	/nfs/dbraw/zinc/23/30/03/134233003.db2.gz	YLCUZYLCQXNIIA-UHFFFAOYSA-N	0	1	240.694	0.538	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1)C(C)C	ZINC000374164651	134236090	/nfs/dbraw/zinc/23/60/90/134236090.db2.gz	SHTFAANEEHNDJM-GUBZILKMSA-N	0	1	232.287	0.682	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1C[C@H]1c1nc[nH]n1)C(C)C	ZINC000374164652	134236096	/nfs/dbraw/zinc/23/60/96/134236096.db2.gz	SHTFAANEEHNDJM-UTLUCORTSA-N	0	1	232.287	0.682	20	30		BCEDMN
C#CCCN1CCC[C@@H](S(=O)(=O)N(C)C)C1	ZINC000375624488	134240108	/nfs/dbraw/zinc/24/01/08/134240108.db2.gz	OWWPFODQAJRXFX-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
CCc1nc(NC(=O)C(C)(C)C#N)n[nH]1	ZINC000123141078	134243017	/nfs/dbraw/zinc/24/30/17/134243017.db2.gz	HPWQTZZADYHCEW-UHFFFAOYSA-N	0	1	207.237	0.855	20	30		BCEDMN
CCc1n[nH]c(NC(=O)C(C)(C)C#N)n1	ZINC000123141078	134243018	/nfs/dbraw/zinc/24/30/18/134243018.db2.gz	HPWQTZZADYHCEW-UHFFFAOYSA-N	0	1	207.237	0.855	20	30		BCEDMN
C#CCNC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000377734733	134244756	/nfs/dbraw/zinc/24/47/56/134244756.db2.gz	OPKOQLJARYQLLA-MRVPVSSYSA-N	0	1	203.245	0.579	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@]2(CCOC2)C1	ZINC000185205725	134375053	/nfs/dbraw/zinc/37/50/53/134375053.db2.gz	QMULUMMIUZBVAP-CHWSQXEVSA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCO[C@]2(CCOC2)C1	ZINC000185205725	134375054	/nfs/dbraw/zinc/37/50/54/134375054.db2.gz	QMULUMMIUZBVAP-CHWSQXEVSA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCNC(=O)CN1CCC(CC)(CO)CC1	ZINC000305743296	134393535	/nfs/dbraw/zinc/39/35/35/134393535.db2.gz	OGKRCCHECMFLBV-UHFFFAOYSA-N	0	1	240.347	0.773	20	30		BCEDMN
C[C@@H](O)CN1CCN(CC2(C#N)CC2)C[C@@H]1C	ZINC000408110535	134394866	/nfs/dbraw/zinc/39/48/66/134394866.db2.gz	RFIYBPCFXYOGMK-NWDGAFQWSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@H]2CCCO2)C1=O	ZINC000337137964	135001077	/nfs/dbraw/zinc/00/10/77/135001077.db2.gz	OOKAILVYWJKHDU-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@@H](OC)C2)C1=O	ZINC000337194100	135003880	/nfs/dbraw/zinc/00/38/80/135003880.db2.gz	VEMBTZMUVGVJPA-MNOVXSKESA-N	0	1	224.304	0.494	20	30		BCEDMN
C=CCOCCCC(=O)NCCN1CCC1	ZINC000337323179	135012168	/nfs/dbraw/zinc/01/21/68/135012168.db2.gz	RYHPFSJPEYCSHE-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
O=C(NCC#Cc1cccc(F)c1)c1ncn[nH]1	ZINC000338249628	135030477	/nfs/dbraw/zinc/03/04/77/135030477.db2.gz	KPXYDWMZSBRTRW-UHFFFAOYSA-N	0	1	244.229	0.725	20	30		BCEDMN
O=C(NCC#Cc1cccc(F)c1)c1nc[nH]n1	ZINC000338249628	135030479	/nfs/dbraw/zinc/03/04/79/135030479.db2.gz	KPXYDWMZSBRTRW-UHFFFAOYSA-N	0	1	244.229	0.725	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H]2COC[C@H](C1)O2	ZINC000338385365	135036455	/nfs/dbraw/zinc/03/64/55/135036455.db2.gz	UOWJHZWILBUXJY-UTUOFQBUSA-N	0	1	227.304	0.413	20	30		BCEDMN
C=CCOCCCN1CC[C@](F)(CO)C1	ZINC000338628820	135042913	/nfs/dbraw/zinc/04/29/13/135042913.db2.gz	WMLUXHQVURYRNE-LLVKDONJSA-N	0	1	217.284	0.985	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@H](C)O	ZINC000249726333	135043955	/nfs/dbraw/zinc/04/39/55/135043955.db2.gz	OCVOQOFVDRGTNF-CMPLNLGQSA-N	0	1	241.335	0.353	20	30		BCEDMN
Cn1cc([C@H](CO)N[C@H]2CC[C@H](C#N)C2)cn1	ZINC000339086273	135056009	/nfs/dbraw/zinc/05/60/09/135056009.db2.gz	ZCNOUGXEWQPEGP-DLOVCJGASA-N	0	1	234.303	0.735	20	30		BCEDMN
N#C[C@@H]1CC[C@@H](N2CCN3CCOC[C@@H]3C2)C1	ZINC000339088702	135056759	/nfs/dbraw/zinc/05/67/59/135056759.db2.gz	LNXBWXDMRUGENM-UPJWGTAASA-N	0	1	235.331	0.695	20	30		BCEDMN
N#C[C@@H]1CC[C@@H](N2CCN3CCOC[C@H]3C2)C1	ZINC000339088701	135057223	/nfs/dbraw/zinc/05/72/23/135057223.db2.gz	LNXBWXDMRUGENM-JHJVBQTASA-N	0	1	235.331	0.695	20	30		BCEDMN
C=CCOCCN1CCN(C[C@H](C)O)CC1	ZINC000339094431	135058210	/nfs/dbraw/zinc/05/82/10/135058210.db2.gz	TVXSRMPKAHLODM-LBPRGKRZSA-N	0	1	228.336	0.187	20	30		BCEDMN
CCN(CC(=O)NC1(C#N)CCC1)[C@H](C)CO	ZINC000339633585	135076376	/nfs/dbraw/zinc/07/63/76/135076376.db2.gz	RMUBPIFTBUDIMD-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
N#C[C@@H]1CSCCN1C(=O)c1ccn[nH]1	ZINC000259886917	135106530	/nfs/dbraw/zinc/10/65/30/135106530.db2.gz	OMZKGGAFKLQFOG-SSDOTTSWSA-N	0	1	222.273	0.491	20	30		BCEDMN
Cc1cc(CC(=O)N[C@H](C#N)C(C)C)[nH]n1	ZINC000260134593	135106598	/nfs/dbraw/zinc/10/65/98/135106598.db2.gz	RWBBTRRQTYDKHC-SNVBAGLBSA-N	0	1	220.276	0.925	20	30		BCEDMN
CCN(CCC#N)CCCC(=O)NC(N)=O	ZINC000267089590	135151656	/nfs/dbraw/zinc/15/16/56/135151656.db2.gz	PKFXPIVNYZPXOI-UHFFFAOYSA-N	0	1	226.280	0.197	20	30		BCEDMN
Cc1n[nH]c([C@@H]2CCCN(CC#N)C2)n1	ZINC000268524349	135160016	/nfs/dbraw/zinc/16/00/16/135160016.db2.gz	XHVOYMCCNVTDTN-SECBINFHSA-N	0	1	205.265	0.816	20	30		BCEDMN
Cc1nnc([C@@H]2CCCN(CC#N)C2)[nH]1	ZINC000268524349	135160018	/nfs/dbraw/zinc/16/00/18/135160018.db2.gz	XHVOYMCCNVTDTN-SECBINFHSA-N	0	1	205.265	0.816	20	30		BCEDMN
C=CCN(C)[C@@H](C)C(=O)NC[C@H]1CCCO1	ZINC000121359333	135222163	/nfs/dbraw/zinc/22/21/63/135222163.db2.gz	ODBSKJQXUFAIRW-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC#CCNC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000121591076	135225698	/nfs/dbraw/zinc/22/56/98/135225698.db2.gz	MVDNSXSJPCJJJN-SECBINFHSA-N	0	1	217.272	0.969	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(CC)C[C@@H]1C	ZINC000341796651	135242415	/nfs/dbraw/zinc/24/24/15/135242415.db2.gz	INMPPKVFNYQXHR-AAEUAGOBSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(CC)C[C@H]1C	ZINC000341796654	135242457	/nfs/dbraw/zinc/24/24/57/135242457.db2.gz	INMPPKVFNYQXHR-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
C[NH+]=C(NCc1ncccc1[O-])NC1CC1	ZINC000262433566	135296710	/nfs/dbraw/zinc/29/67/10/135296710.db2.gz	WTTYPISEWQPMBP-UHFFFAOYSA-N	0	1	220.276	0.615	20	30		BCEDMN
C=CCN(C(=O)c1[nH]nc2c1CNCC2)C1CC1	ZINC000262806253	135319104	/nfs/dbraw/zinc/31/91/04/135319104.db2.gz	SISUSPWHHSLUAW-UHFFFAOYSA-N	0	1	246.314	0.846	20	30		BCEDMN
CN1CCC[NH+]=C1NCc1ncccc1[O-]	ZINC000263086990	135331647	/nfs/dbraw/zinc/33/16/47/135331647.db2.gz	IMFAKUDYLWYGFC-UHFFFAOYSA-N	0	1	220.276	0.568	20	30		BCEDMN
[NH2+]=C(NCc1ncccc1[O-])NC1CCC1	ZINC000263095859	135333016	/nfs/dbraw/zinc/33/30/16/135333016.db2.gz	JJIXMDQEZKYAEM-UHFFFAOYSA-N	0	1	220.276	0.744	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(CC)CCOCCO	ZINC000281943731	135370614	/nfs/dbraw/zinc/37/06/14/135370614.db2.gz	FBVMUTYSZZHEAN-NSHDSACASA-N	0	1	244.335	0.008	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000334367680	135374805	/nfs/dbraw/zinc/37/48/05/135374805.db2.gz	RJLZCODQLNMFPT-HUUCEWRRSA-N	0	1	249.402	0.968	20	30		BCEDMN
CN(C)C(=O)CN1CCC(CC#N)CC1	ZINC000334204203	135398906	/nfs/dbraw/zinc/39/89/06/135398906.db2.gz	RYTJCDUXMKRZGW-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
C=CCOCCCN1C[C@H](C)O[C@H](CO)C1	ZINC000348192810	136049510	/nfs/dbraw/zinc/04/95/10/136049510.db2.gz	JGCSWIQQCLJHRV-RYUDHWBXSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)C[C@@H]1C(C)C	ZINC000348549316	136096227	/nfs/dbraw/zinc/09/62/27/136096227.db2.gz	CBFZSUPRGXQSKA-GFCCVEGCSA-N	0	1	239.363	0.561	20	30		BCEDMN
C=CCN(C(=O)[C@@H](C)N(C)C)[C@H](C)COC	ZINC000636159631	397748700	/nfs/dbraw/zinc/74/87/00/397748700.db2.gz	FARWUIDDMMRUTO-GHMZBOCLSA-N	0	1	228.336	0.986	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000332780957	397766216	/nfs/dbraw/zinc/76/62/16/397766216.db2.gz	VBVVSNZTRSMEEW-GZMMTYOYSA-N	0	1	245.286	0.328	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000332780957	397766218	/nfs/dbraw/zinc/76/62/18/397766218.db2.gz	VBVVSNZTRSMEEW-GZMMTYOYSA-N	0	1	245.286	0.328	20	30		BCEDMN
C#CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000491748977	397867262	/nfs/dbraw/zinc/86/72/62/397867262.db2.gz	FMOFYHYDNFWKDT-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
CCOC(=O)CCCN1CC[C@@](O)(CC#N)C1	ZINC000592151498	397944857	/nfs/dbraw/zinc/94/48/57/397944857.db2.gz	PJHXEJFQBRMDFE-LBPRGKRZSA-N	0	1	240.303	0.680	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](NCc2ccccc2)C1=O	ZINC000491675192	398059420	/nfs/dbraw/zinc/05/94/20/398059420.db2.gz	YVDATYPKTRUNJN-GFCCVEGCSA-N	0	1	242.278	0.537	20	30		BCEDMN
C#C[C@@H](NC(=O)N1CCNCC1)C(C)C	ZINC000491769013	398067709	/nfs/dbraw/zinc/06/77/09/398067709.db2.gz	MCTYTMCRJQXKSD-SNVBAGLBSA-N	0	1	209.293	0.259	20	30		BCEDMN
C[C@H](C(=O)N([C@@H](C)C#N)C1CC1)N(C)C	ZINC000602179524	398067818	/nfs/dbraw/zinc/06/78/18/398067818.db2.gz	NTVLZFDRGRNPAW-DTWKUNHWSA-N	0	1	209.293	0.840	20	30		BCEDMN
CCC#C[C@H](C)N1CCN2CCOC[C@@H]2C1	ZINC000680431132	487591131	/nfs/dbraw/zinc/59/11/31/487591131.db2.gz	ZPUURSDGGZRXCY-STQMWFEESA-N	0	1	222.332	0.805	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCc1nc(C)n[nH]1	ZINC000274353104	166115164	/nfs/dbraw/zinc/11/51/64/166115164.db2.gz	PNGIJQIOBYRGEI-UHFFFAOYSA-N	0	1	234.303	0.821	20	30		BCEDMN
C#CCN(C(=O)Cc1ccn[nH]1)C1CC1	ZINC000274114853	166153228	/nfs/dbraw/zinc/15/32/28/166153228.db2.gz	RNLXGBRTHICKGR-UHFFFAOYSA-N	0	1	203.245	0.576	20	30		BCEDMN
C#CCN(C(=O)c1cc(C)[nH]n1)C1CC1	ZINC000274033024	166153997	/nfs/dbraw/zinc/15/39/97/166153997.db2.gz	DMPFVWKAAOZUSG-UHFFFAOYSA-N	0	1	203.245	0.956	20	30		BCEDMN
C#CCCN1CCN(Cc2nnc(CC)[nH]2)CC1	ZINC000159611013	166137901	/nfs/dbraw/zinc/13/79/01/166137901.db2.gz	ATXDXRDKFMKHLM-UHFFFAOYSA-N	0	1	247.346	0.508	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000660843811	409838306	/nfs/dbraw/zinc/83/83/06/409838306.db2.gz	AZONMQQIRLWTQE-ZETCQYMHSA-N	0	1	213.237	0.144	20	30		BCEDMN
C=C(C)[C@H](CO)[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000660843811	409838308	/nfs/dbraw/zinc/83/83/08/409838308.db2.gz	AZONMQQIRLWTQE-ZETCQYMHSA-N	0	1	213.237	0.144	20	30		BCEDMN
C=CCOCCn1cc(CNCC)nn1	ZINC000052598966	409960490	/nfs/dbraw/zinc/96/04/90/409960490.db2.gz	UZXGBUCFJCCQQQ-UHFFFAOYSA-N	0	1	210.281	0.590	20	30		BCEDMN
C=CCNC(=O)CN(C)Cc1cnc[nH]1	ZINC000661086202	410154895	/nfs/dbraw/zinc/15/48/95/410154895.db2.gz	YBTQXWZJQZEPIG-UHFFFAOYSA-N	0	1	208.265	0.144	20	30		BCEDMN
C#CCN(CC#C)C(=O)CSc1nnc(C)[nH]1	ZINC000173484518	166159768	/nfs/dbraw/zinc/15/97/68/166159768.db2.gz	VYPHPXACBNJCDZ-UHFFFAOYSA-N	0	1	248.311	0.300	20	30		BCEDMN
C#CCN(CC#C)C(=O)CSc1nc(C)n[nH]1	ZINC000173484518	166159770	/nfs/dbraw/zinc/15/97/70/166159770.db2.gz	VYPHPXACBNJCDZ-UHFFFAOYSA-N	0	1	248.311	0.300	20	30		BCEDMN
C#CCNC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000270593799	166180703	/nfs/dbraw/zinc/18/07/03/166180703.db2.gz	UCOITLYKTPYCMR-SSDOTTSWSA-N	0	1	221.264	0.361	20	30		BCEDMN
C#CCNCC(=O)N1CCc2sccc2C1	ZINC000035099791	166186774	/nfs/dbraw/zinc/18/67/74/166186774.db2.gz	SZJLICCAFGGTID-UHFFFAOYSA-N	0	1	234.324	0.856	20	30		BCEDMN
C=CCCOCCNCN1CCC(=O)CC1	ZINC000273004521	166271210	/nfs/dbraw/zinc/27/12/10/166271210.db2.gz	AFULUDVANQBPEL-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](O)C1	ZINC000265206894	166330915	/nfs/dbraw/zinc/33/09/15/166330915.db2.gz	KXSCWGLHROUNNG-NEPJUHHUSA-N	0	1	238.331	0.642	20	30		BCEDMN
C=CCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000277091319	166363138	/nfs/dbraw/zinc/36/31/38/166363138.db2.gz	KNOLUSUGJIXBQI-UHFFFAOYSA-N	0	1	238.209	0.746	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)NC2CC2)C1	ZINC000274001602	166358275	/nfs/dbraw/zinc/35/82/75/166358275.db2.gz	NFWKCICEQOBDJQ-JTQLQIEISA-N	0	1	209.293	0.708	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O	ZINC000270208725	166366246	/nfs/dbraw/zinc/36/62/46/166366246.db2.gz	XZKYLOOGGCTNCV-QWRGUYRKSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)CNC1(C(N)=O)CCCCC1	ZINC000078660778	166370529	/nfs/dbraw/zinc/37/05/29/166370529.db2.gz	MRLLPBFOLWKPCU-UHFFFAOYSA-N	0	1	239.319	0.066	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)CN1CCOCC1	ZINC000271090734	166383123	/nfs/dbraw/zinc/38/31/23/166383123.db2.gz	HXJIZBKQWXSQDK-JTQLQIEISA-N	0	1	212.293	0.257	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601027702	410547981	/nfs/dbraw/zinc/54/79/81/410547981.db2.gz	XPBOQKLVPRNVBZ-MRVPVSSYSA-N	0	1	221.264	0.546	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601027702	410547990	/nfs/dbraw/zinc/54/79/90/410547990.db2.gz	XPBOQKLVPRNVBZ-MRVPVSSYSA-N	0	1	221.264	0.546	20	30		BCEDMN
C=C(CC)CN1CCN(c2nncn2C)CC1	ZINC000653824061	411193899	/nfs/dbraw/zinc/19/38/99/411193899.db2.gz	RXANFNWBJJHJFQ-UHFFFAOYSA-N	0	1	235.335	0.903	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCC1	ZINC000656183593	411195856	/nfs/dbraw/zinc/19/58/56/411195856.db2.gz	BGRQXNFYIBAWKS-MNOVXSKESA-N	0	1	239.319	0.335	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCN(C(C)(C)C)C1=O	ZINC000662168689	411372725	/nfs/dbraw/zinc/37/27/25/411372725.db2.gz	QSBGWBHGVQRHNF-ZJUUUORDSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=C[C@H](CO)NC[C@@](C)(O)C(F)(F)F	ZINC000662168468	411372763	/nfs/dbraw/zinc/37/27/63/411372763.db2.gz	HMSWDYXNZZPNCQ-RNFRBKRXSA-N	0	1	213.199	0.436	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCCC(C)C	ZINC000662165772	411370446	/nfs/dbraw/zinc/37/04/46/411370446.db2.gz	OENUPTKRGMMQFP-WDEREUQCSA-N	0	1	228.336	0.674	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCN(c2ccccc2)C1=O	ZINC000662165622	411370479	/nfs/dbraw/zinc/37/04/79/411370479.db2.gz	JWYDFJUHLYQFDN-DGCLKSJQSA-N	0	1	246.310	0.928	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC(C)(C)C	ZINC000662166254	411370816	/nfs/dbraw/zinc/37/08/16/411370816.db2.gz	XMJYXGSFWWWIMK-RKDXNWHRSA-N	0	1	214.309	0.426	20	30		BCEDMN
C=CCN(C(=O)[C@@H](N)COC(C)C)C1CC1	ZINC000659319849	411394824	/nfs/dbraw/zinc/39/48/24/411394824.db2.gz	CIPDLTRFDOZBMX-NSHDSACASA-N	0	1	226.320	0.916	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H](N)COC(C)C	ZINC000659382413	411407892	/nfs/dbraw/zinc/40/78/92/411407892.db2.gz	OYONEPPBVHDDKS-JTQLQIEISA-N	0	1	230.308	0.058	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](C)[C@@H](C)CO)nn1	ZINC000653615291	411441028	/nfs/dbraw/zinc/44/10/28/411441028.db2.gz	ATXLCKWLIUCDDB-QWRGUYRKSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=C1CCN(CCN2C(=O)CN(C)C2=O)CC1	ZINC000659910771	411495775	/nfs/dbraw/zinc/49/57/75/411495775.db2.gz	NHNXNEGPXRQRGO-UHFFFAOYSA-N	0	1	237.303	0.532	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](C)OC)nn1	ZINC000657448359	411509974	/nfs/dbraw/zinc/50/99/74/411509974.db2.gz	YBNVHUJNVJSEGS-JTQLQIEISA-N	0	1	224.308	0.979	20	30		BCEDMN
C=CCCn1cc(CNCCCCO)nn1	ZINC000657451263	411510016	/nfs/dbraw/zinc/51/00/16/411510016.db2.gz	MPNVFIZDSJUFBI-UHFFFAOYSA-N	0	1	224.308	0.716	20	30		BCEDMN
C=CCNC(=O)CN1CCC[N@H+](CC)C[C@H]1C	ZINC000660792667	411636301	/nfs/dbraw/zinc/63/63/01/411636301.db2.gz	FHKFCJYWZHUDCB-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=CCOCCNCc1cnnn1CC	ZINC000657764306	411593076	/nfs/dbraw/zinc/59/30/76/411593076.db2.gz	OQDQFADMCGQFEZ-UHFFFAOYSA-N	0	1	210.281	0.590	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)Cc1cnc[nH]1	ZINC000661085774	411697109	/nfs/dbraw/zinc/69/71/09/411697109.db2.gz	PWCYEKVNUSBIGG-VIFPVBQESA-N	0	1	222.292	0.532	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1	ZINC000661702475	411848408	/nfs/dbraw/zinc/84/84/08/411848408.db2.gz	PZJJFAUTIREODI-CMPLNLGQSA-N	0	1	224.304	0.257	20	30		BCEDMN
C=CCC[C@H](O)CN1CCc2nnc(N)cc2C1	ZINC000363877613	411849257	/nfs/dbraw/zinc/84/92/57/411849257.db2.gz	DLQRPKFEOCYQAP-NSHDSACASA-N	0	1	248.330	0.744	20	30		BCEDMN
C=CCOCCNc1nc(N)nc2c1CCCC2	ZINC000645208253	411851829	/nfs/dbraw/zinc/85/18/29/411851829.db2.gz	LUEMRZKIVRVJNA-UHFFFAOYSA-N	0	1	248.330	0.974	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)[C@](C)(CO)C1	ZINC000662138507	411988516	/nfs/dbraw/zinc/98/85/16/411988516.db2.gz	WTXQJDZMJNDEEZ-PWSUYJOCSA-N	0	1	226.320	0.239	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCC(C)CC1	ZINC000662165239	412014506	/nfs/dbraw/zinc/01/45/06/412014506.db2.gz	AYICVEHLJMBJRL-LLVKDONJSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCC[C@H]1C	ZINC000662165933	412014936	/nfs/dbraw/zinc/01/49/36/412014936.db2.gz	QMCWCDSIWYWYDV-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@H]1CCCC[C@H]1C	ZINC000662167405	412016796	/nfs/dbraw/zinc/01/67/96/412016796.db2.gz	CKKLCLSZFIPSCR-UTUOFQBUSA-N	0	1	240.347	0.818	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@@H](C)CC	ZINC000662168134	412016811	/nfs/dbraw/zinc/01/68/11/412016811.db2.gz	ZCFYPRWQJONTGO-DTWKUNHWSA-N	0	1	200.282	0.038	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N1CCCCC1	ZINC000662167930	412016837	/nfs/dbraw/zinc/01/68/37/412016837.db2.gz	SRBKVHNBZZTYPS-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O	ZINC000662168942	412017961	/nfs/dbraw/zinc/01/79/61/412017961.db2.gz	ZOSKESXWZQMKTK-WISYIIOYSA-N	0	1	238.331	0.570	20	30		BCEDMN
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COCC#CCN(C)[C@H]1CCC(=O)N(C)C1	ZINC000653698999	490198754	/nfs/dbraw/zinc/19/87/54/490198754.db2.gz	QRJIHKAYIUOTKW-NSHDSACASA-N	0	1	224.304	0.189	20	30		BCEDMN
COCC#CCN1CCN(C2CC2)CC1	ZINC000677133082	490353634	/nfs/dbraw/zinc/35/36/34/490353634.db2.gz	GQJGZHQLVLHNSK-UHFFFAOYSA-N	0	1	208.305	0.416	20	30		BCEDMN
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CCCN1CCN(c2cncc(C#N)n2)CC1	ZINC000401375245	528249571	/nfs/dbraw/zinc/24/95/71/528249571.db2.gz	HIEIVIKSJSOPOZ-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
CC(C)c1cc(C(=O)N2CCOC[C@@H]2C#N)n[nH]1	ZINC000081739814	535352721	/nfs/dbraw/zinc/35/27/21/535352721.db2.gz	YLAKNJYMZSEJAZ-VIFPVBQESA-N	0	1	248.286	0.898	20	30		BCEDMN
CN(C)Cc1ccc(C(=O)NCC#N)cn1	ZINC000339254770	535997034	/nfs/dbraw/zinc/99/70/34/535997034.db2.gz	MGAHVVROTAYQSS-UHFFFAOYSA-N	0	1	218.260	0.397	20	30		BCEDMN
CCc1[nH]nc(C(=O)N(C)CC#N)c1[N+](=O)[O-]	ZINC000275019260	535998168	/nfs/dbraw/zinc/99/81/68/535998168.db2.gz	RKDICKAUQREIBT-UHFFFAOYSA-N	0	1	237.219	0.476	20	30		BCEDMN
Cn1nccc1C1=NN(CCC#N)C(=O)C1	ZINC000725257785	538067789	/nfs/dbraw/zinc/06/77/89/538067789.db2.gz	WOWCFBNLLKRJOP-UHFFFAOYSA-N	0	1	217.232	0.270	20	30		BCEDMN
CN1C[C@@H](NC[C@H](C#N)CCC#N)CCC1=O	ZINC000574962372	566325994	/nfs/dbraw/zinc/32/59/94/566325994.db2.gz	QVUDTAKRDNAWQU-QWRGUYRKSA-N	0	1	234.303	0.640	20	30		BCEDMN
C[C@H](OC(=O)c1cc(C#N)cn1C)c1nnc[nH]1	ZINC000853221152	588726294	/nfs/dbraw/zinc/72/62/94/588726294.db2.gz	QTNJWGJJXFNOPM-ZETCQYMHSA-N	0	1	245.242	0.933	20	30		BCEDMN
C#Cc1cccnc1N1CCN(C[C@H](C)O)CC1	ZINC000853265398	588730026	/nfs/dbraw/zinc/73/00/26/588730026.db2.gz	SCZDLFSJQZRVJT-LBPRGKRZSA-N	0	1	245.326	0.566	20	30		BCEDMN
C=CCn1cc(C(=O)O[C@H](C)c2nnc[nH]2)nn1	ZINC000853226604	588727536	/nfs/dbraw/zinc/72/75/36/588727536.db2.gz	ZAIZXZJOBYMHNK-SSDOTTSWSA-N	0	1	248.246	0.500	20	30		BCEDMN
COCC(CC1CCOCC1)=Nn1cnnc1	ZINC000853253663	588729324	/nfs/dbraw/zinc/72/93/24/588729324.db2.gz	ALQGFYHAXFPLRX-UHFFFAOYSA-N	0	1	238.291	0.945	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(CO)cc2)N1	ZINC000853329868	588733537	/nfs/dbraw/zinc/73/35/37/588733537.db2.gz	FWEHJLQYIUEPGZ-SECBINFHSA-N	0	1	232.287	0.450	20	30		BCEDMN
CC(C)n1ccnc1C=NNC1=NC[C@@H](C)N1	ZINC000853330716	588733966	/nfs/dbraw/zinc/73/39/66/588733966.db2.gz	UDOXLGUIXJRWCY-SECBINFHSA-N	0	1	234.307	0.735	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccnn1CC1CC1	ZINC000853357304	588737615	/nfs/dbraw/zinc/73/76/15/588737615.db2.gz	DSJFDLPKCFYTOP-UHFFFAOYSA-N	0	1	232.291	0.176	20	30		BCEDMN
CCn1cncc1C=NNc1nnc(C)n1C	ZINC000853430803	588741745	/nfs/dbraw/zinc/74/17/45/588741745.db2.gz	JEZXHBOJVRGGLM-UHFFFAOYSA-N	0	1	233.279	0.786	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000854077454	588773880	/nfs/dbraw/zinc/77/38/80/588773880.db2.gz	SEGPIIKYRPJHEN-APPZFPTMSA-N	0	1	235.291	0.885	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000854548589	588792993	/nfs/dbraw/zinc/79/29/93/588792993.db2.gz	FSJNQTMSHGJMIB-NXEZZACHSA-N	0	1	235.287	0.089	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000854547498	588793008	/nfs/dbraw/zinc/79/30/08/588793008.db2.gz	WOBVOYOUZBWDFR-NEPJUHHUSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000854548591	588793062	/nfs/dbraw/zinc/79/30/62/588793062.db2.gz	FSJNQTMSHGJMIB-VHSXEESVSA-N	0	1	235.287	0.089	20	30		BCEDMN
CCc1nc(CNC(=O)C#CC(C)C)n[nH]1	ZINC000854677579	588800883	/nfs/dbraw/zinc/80/08/83/588800883.db2.gz	LQCSNQXXQLWVLR-UHFFFAOYSA-N	0	1	220.276	0.643	20	30		BCEDMN
C#CC1(O)CN(C(=O)c2c(C)n[nH]c2C(C)C)C1	ZINC000890522786	582463587	/nfs/dbraw/zinc/46/35/87/582463587.db2.gz	QOFRJYLBQYUYMQ-UHFFFAOYSA-N	0	1	247.298	0.662	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)c1[nH]nnc1C	ZINC000890552120	582473238	/nfs/dbraw/zinc/47/32/38/582473238.db2.gz	KDEIXCWTICMSOT-QMMMGPOBSA-N	0	1	206.249	0.904	20	30		BCEDMN
C#CCOc1ccc(CN[C@H](C)C(N)=O)cc1	ZINC000113316399	588831233	/nfs/dbraw/zinc/83/12/33/588831233.db2.gz	ATEVVCKROAFVIT-SNVBAGLBSA-N	0	1	232.283	0.662	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OC/C=C/Cl	ZINC000812409205	582528030	/nfs/dbraw/zinc/52/80/30/582528030.db2.gz	OKPKPVLHFYTRRS-RWCYGVJQSA-N	0	1	242.706	0.884	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@H](CC)OC[C@H]1C	ZINC000844391196	582580883	/nfs/dbraw/zinc/58/08/83/582580883.db2.gz	NVBAJOVHNVCXHD-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
CN(C)CC(=O)NCC#C[C@@H]1CCCCO1	ZINC000891127629	582613067	/nfs/dbraw/zinc/61/30/67/582613067.db2.gz	YUYITPKSPSSTAY-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCONC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000855607354	588841863	/nfs/dbraw/zinc/84/18/63/588841863.db2.gz	YUMIASKKGNUXIL-MRVPVSSYSA-N	0	1	207.233	0.269	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)cc2O)N1	ZINC000779791469	582730676	/nfs/dbraw/zinc/73/06/76/582730676.db2.gz	CYBNPQIVBXRJTJ-ZETCQYMHSA-N	0	1	234.259	0.369	20	30		BCEDMN
C=CCOCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000855777851	588847803	/nfs/dbraw/zinc/84/78/03/588847803.db2.gz	WOWKTBPUMSYCKO-RKDXNWHRSA-N	0	1	228.248	0.361	20	30		BCEDMN
N#Cc1cc(CN(CCO)CCCO)cs1	ZINC000892018416	582762835	/nfs/dbraw/zinc/76/28/35/582762835.db2.gz	BYCUVGJBVCGRLS-UHFFFAOYSA-N	0	1	240.328	0.796	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCC=C	ZINC000856031388	588856523	/nfs/dbraw/zinc/85/65/23/588856523.db2.gz	NRCNOBXYCILHHX-NSHDSACASA-N	0	1	222.288	0.708	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@H](C)N(C)C)C1CCOCC1	ZINC000856109265	588860678	/nfs/dbraw/zinc/86/06/78/588860678.db2.gz	KVJZARCXFKCLHJ-CMPLNLGQSA-N	0	1	238.331	0.481	20	30		BCEDMN
C#CCCN(CCOC)C(=O)c1[nH]nnc1C	ZINC000856389630	588871067	/nfs/dbraw/zinc/87/10/67/588871067.db2.gz	AJJCTVGMYATWEX-UHFFFAOYSA-N	0	1	236.275	0.225	20	30		BCEDMN
C#CCCN(CCOC)C(=O)[C@H]1CCCN1C	ZINC000856388038	588871112	/nfs/dbraw/zinc/87/11/12/588871112.db2.gz	HHJLRQJNAWAEDQ-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C=CCNC(=O)CN[C@H]1C[C@@H](OCC)[C@@H]1OC	ZINC000893318229	583099523	/nfs/dbraw/zinc/09/95/23/583099523.db2.gz	LHYJMVCXPNWLES-HOSYDEDBSA-N	0	1	242.319	0.071	20	30		BCEDMN
COCCOC[C@H](C)NC[C@H](C)C#N	ZINC000893544432	583159950	/nfs/dbraw/zinc/15/99/50/583159950.db2.gz	KLVTXACTUQWLML-ZJUUUORDSA-N	0	1	200.282	0.787	20	30		BCEDMN
Fc1ccc2c(c1)C(=NNC1=NCCN1)CO2	ZINC000841658708	583159382	/nfs/dbraw/zinc/15/93/82/583159382.db2.gz	IEYBMTVMEIQRBN-UHFFFAOYSA-N	0	1	234.234	0.471	20	30		BCEDMN
CC[N@H+](CCO)CCNCC#Cc1ccccc1	ZINC000893645965	583185598	/nfs/dbraw/zinc/18/55/98/583185598.db2.gz	CCIKCFLJSSVFHX-UHFFFAOYSA-N	0	1	246.354	0.942	20	30		BCEDMN
CC[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1C#N	ZINC000893873623	583238409	/nfs/dbraw/zinc/23/84/09/583238409.db2.gz	RFCDVAKWKIVGPM-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1cnccc1C#N	ZINC000893873623	583238413	/nfs/dbraw/zinc/23/84/13/583238413.db2.gz	RFCDVAKWKIVGPM-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C[C@H]1CC(NC(=O)C(C)(C)c2cnc[nH]2)=NO1	ZINC000857165274	588891352	/nfs/dbraw/zinc/89/13/52/588891352.db2.gz	BDGXLVQAHZHMGW-ZETCQYMHSA-N	0	1	236.275	0.926	20	30		BCEDMN
Cc1cc(CN=Nc2nnc(C)n2C)on1	ZINC000857212554	588893896	/nfs/dbraw/zinc/89/38/96/588893896.db2.gz	PTXSMMXSJUEXSE-UHFFFAOYSA-N	0	1	220.236	0.866	20	30		BCEDMN
C#CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C	ZINC000877966453	583355963	/nfs/dbraw/zinc/35/59/63/583355963.db2.gz	LGOSZTJXMYHRFS-KCJUWKMLSA-N	0	1	217.272	0.825	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)C(C)(C)c1cnc[nH]1	ZINC000857223502	588895592	/nfs/dbraw/zinc/89/55/92/588895592.db2.gz	SRKWIASZANOMMV-SNVBAGLBSA-N	0	1	249.314	0.578	20	30		BCEDMN
N#CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000840670253	583402911	/nfs/dbraw/zinc/40/29/11/583402911.db2.gz	PZXYNQYTTDRRBP-RNFRBKRXSA-N	0	1	210.189	0.499	20	30		BCEDMN
CN(C(=O)NCCC#N)[C@H]1CCC[N@@H+](C)C1	ZINC000894486171	583471725	/nfs/dbraw/zinc/47/17/25/583471725.db2.gz	SOQBNKLAFQIIGJ-JTQLQIEISA-N	0	1	224.308	0.636	20	30		BCEDMN
COCCN(CC#N)Cc1n[nH]c(C)c1C	ZINC000894970092	583560532	/nfs/dbraw/zinc/56/05/32/583560532.db2.gz	VOFFVKCLIGFZQI-UHFFFAOYSA-N	0	1	222.292	0.999	20	30		BCEDMN
C#CC[C@H](NCc1cnc[nH]1)C(=O)OC	ZINC000894986496	583565367	/nfs/dbraw/zinc/56/53/67/583565367.db2.gz	PTANMTLJHNGYEU-VIFPVBQESA-N	0	1	207.233	0.064	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cn2cccnc2n1	ZINC000895096702	583588414	/nfs/dbraw/zinc/58/84/14/583588414.db2.gz	BSIVOMOOEUALNC-NSHDSACASA-N	0	1	244.298	0.593	20	30		BCEDMN
Cn1cncc1CN=Nc1cncnc1	ZINC000794979018	583634366	/nfs/dbraw/zinc/63/43/66/583634366.db2.gz	UZHMGBUYLUXLAQ-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
CN(C)CC(=O)NCCNc1ncccc1C#N	ZINC000727374140	583635353	/nfs/dbraw/zinc/63/53/53/583635353.db2.gz	NHKVHHGXFRHSJA-UHFFFAOYSA-N	0	1	247.302	0.043	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCc2c[nH]nc21	ZINC000857872934	588918299	/nfs/dbraw/zinc/91/82/99/588918299.db2.gz	RUGSRIZVWHQZHD-NXEZZACHSA-N	0	1	207.277	0.924	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3cc(C#N)ncn3)C2)n1	ZINC000895327556	583652439	/nfs/dbraw/zinc/65/24/39/583652439.db2.gz	GEFKTWSIRGRPPL-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1nc(C2CN(c3cc(C#N)ncn3)C2)n[nH]1	ZINC000895327556	583652440	/nfs/dbraw/zinc/65/24/40/583652440.db2.gz	GEFKTWSIRGRPPL-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
C#CC1(O)CCN(Cc2c[nH]nc2C)CC1	ZINC000895382459	583662176	/nfs/dbraw/zinc/66/21/76/583662176.db2.gz	GNBDNNOVHZFCFY-UHFFFAOYSA-N	0	1	219.288	0.678	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NCc1n[nH]c(C)n1	ZINC000895579171	583694731	/nfs/dbraw/zinc/69/47/31/583694731.db2.gz	ZLTYVMFJESRPJK-ZCFIWIBFSA-N	0	1	225.252	0.418	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NCc1n[nH]c(C)n1	ZINC000895579170	583694957	/nfs/dbraw/zinc/69/49/57/583694957.db2.gz	ZLTYVMFJESRPJK-LURJTMIESA-N	0	1	225.252	0.418	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NCc1n[nH]c(C)n1	ZINC000895689968	583707557	/nfs/dbraw/zinc/70/75/57/583707557.db2.gz	YYGDETXLXMSMFI-SECBINFHSA-N	0	1	235.291	0.714	20	30		BCEDMN
C#CCN1CCC(Nc2ccc(C#N)nn2)CC1	ZINC000895808155	583732476	/nfs/dbraw/zinc/73/24/76/583732476.db2.gz	BLFINYTWBZPAHT-UHFFFAOYSA-N	0	1	241.298	0.858	20	30		BCEDMN
C#CCN1CCC(Nc2nnc(C)c(C)n2)CC1	ZINC000895808007	583732585	/nfs/dbraw/zinc/73/25/85/583732585.db2.gz	GPVNULOACZSSHO-UHFFFAOYSA-N	0	1	245.330	0.998	20	30		BCEDMN
C#CCN1CCC(Nc2ccnc(C#N)n2)CC1	ZINC000895808374	583732665	/nfs/dbraw/zinc/73/26/65/583732665.db2.gz	LPYQBJGUFWXCEM-UHFFFAOYSA-N	0	1	241.298	0.280	20	30		BCEDMN
N#Cc1cccc(CNCCN2CCNC2=O)n1	ZINC000895814188	583733701	/nfs/dbraw/zinc/73/37/01/583733701.db2.gz	MBCCJUOPAAJDPD-UHFFFAOYSA-N	0	1	245.286	0.068	20	30		BCEDMN
C#CCSCC(=O)N[C@@H]1CCCN(C)C1	ZINC000895834212	583735524	/nfs/dbraw/zinc/73/55/24/583735524.db2.gz	HLNLNITYGOAIHF-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C#CCSCC(=O)NCc1cc(CC)[nH]n1	ZINC000896325148	583790683	/nfs/dbraw/zinc/79/06/83/583790683.db2.gz	AOIOEZWYGDJALG-UHFFFAOYSA-N	0	1	237.328	0.955	20	30		BCEDMN
C[C@@]1(C#N)CN(c2ncnc3nc[nH]c32)CCO1	ZINC000896856459	583840519	/nfs/dbraw/zinc/84/05/19/583840519.db2.gz	GPTDFITYEAAUSA-LLVKDONJSA-N	0	1	244.258	0.472	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000866947739	583965722	/nfs/dbraw/zinc/96/57/22/583965722.db2.gz	SIPDMZUFXUQKMU-KCJUWKMLSA-N	0	1	248.286	0.594	20	30		BCEDMN
COc1ccnc(C(C)=NNC2=NCCN2)c1	ZINC000863119995	583978856	/nfs/dbraw/zinc/97/88/56/583978856.db2.gz	KKFMJWDFBKHMNY-UHFFFAOYSA-N	0	1	233.275	0.363	20	30		BCEDMN
C#CC[C@H](COC)NCc1n[nH]cc1C	ZINC000858335168	588947053	/nfs/dbraw/zinc/94/70/53/588947053.db2.gz	MOWWGSYKVCALEW-SNVBAGLBSA-N	0	1	207.277	0.846	20	30		BCEDMN
Cc1[nH]ncc1CN1CCO[C@](C)(C#N)C1	ZINC000897584623	584021908	/nfs/dbraw/zinc/02/19/08/584021908.db2.gz	JCIXGMGDKJGXOI-LLVKDONJSA-N	0	1	220.276	0.833	20	30		BCEDMN
C=CCCCNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897608685	584028885	/nfs/dbraw/zinc/02/88/85/584028885.db2.gz	XOPHVMHUNURSIM-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCSCC(=O)N1CCc2nc[nH]c2C1	ZINC000897795289	584049500	/nfs/dbraw/zinc/04/95/00/584049500.db2.gz	FHSKMWNRSVGXJI-UHFFFAOYSA-N	0	1	235.312	0.661	20	30		BCEDMN
C[C@@]1(NCc2csc(C#N)c2)CCNC1=O	ZINC000897866740	584055010	/nfs/dbraw/zinc/05/50/10/584055010.db2.gz	GEXJMLIDFFOSCM-LLVKDONJSA-N	0	1	235.312	0.988	20	30		BCEDMN
C[C@]1(NCc2ccc(C#N)cc2)CCNC1=O	ZINC000897873869	584056822	/nfs/dbraw/zinc/05/68/22/584056822.db2.gz	QJRUDVKAIVOHLA-ZDUSSCGKSA-N	0	1	229.283	0.926	20	30		BCEDMN
C#CCC(CC#C)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898147067	584087208	/nfs/dbraw/zinc/08/72/08/584087208.db2.gz	OZYCDWPXDGKILB-UHFFFAOYSA-N	0	1	244.298	0.819	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898359319	584111219	/nfs/dbraw/zinc/11/12/19/584111219.db2.gz	PAJDTLIWESBYNE-ZETCQYMHSA-N	0	1	221.264	0.276	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NCc1n[nH]c(C)n1	ZINC000898362550	584112049	/nfs/dbraw/zinc/11/20/49/584112049.db2.gz	HWJQZOJJBDOVFW-ZCFIWIBFSA-N	0	1	209.253	0.487	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CC(N2CCCC2)C1	ZINC000898604942	584144773	/nfs/dbraw/zinc/14/47/73/584144773.db2.gz	PTMRXCSAUVKEFT-CYBMUJFWSA-N	0	1	238.331	0.620	20	30		BCEDMN
C#CCc1c(C)[n-]n(C2CC[NH2+]CC2)c1=O	ZINC000899363099	584204406	/nfs/dbraw/zinc/20/44/06/584204406.db2.gz	DESWWSGPWFGGIC-NSHDSACASA-N	0	1	219.288	0.596	20	30		BCEDMN
C=CCN1CC(=O)N(Cc2n[nH]c(C)n2)C1=O	ZINC000900149864	584279967	/nfs/dbraw/zinc/27/99/67/584279967.db2.gz	SNJCVNFNSIJNBL-UHFFFAOYSA-N	0	1	235.247	0.063	20	30		BCEDMN
CCN(CC#N)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000900361348	584295919	/nfs/dbraw/zinc/29/59/19/584295919.db2.gz	JBUWBMRYWFSXFS-NSHDSACASA-N	0	1	237.303	0.079	20	30		BCEDMN
C=C1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C)CC1	ZINC000900585563	584331953	/nfs/dbraw/zinc/33/19/53/584331953.db2.gz	UIPGJJMHIRLZFA-DGCLKSJQSA-N	0	1	238.331	0.620	20	30		BCEDMN
C#CCC(CC#C)C(=O)NC[C@H]1CCN1C	ZINC000900668162	584337958	/nfs/dbraw/zinc/33/79/58/584337958.db2.gz	ZWGXPODYMJIGQD-GFCCVEGCSA-N	0	1	218.300	0.470	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000900743341	584348444	/nfs/dbraw/zinc/34/84/44/584348444.db2.gz	WPUMEWMPSFDOLD-UMNHJUIQSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000901020125	584377259	/nfs/dbraw/zinc/37/72/59/584377259.db2.gz	RZSPPEBDZGYMAZ-QXEWZRGKSA-N	0	1	212.293	0.132	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000901020124	584377394	/nfs/dbraw/zinc/37/73/94/584377394.db2.gz	RZSPPEBDZGYMAZ-NGZCFLSTSA-N	0	1	212.293	0.132	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000901020122	584377631	/nfs/dbraw/zinc/37/76/31/584377631.db2.gz	RZSPPEBDZGYMAZ-ATZCPNFKSA-N	0	1	212.293	0.132	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)CN(C)C1CCC1	ZINC000901052584	584379432	/nfs/dbraw/zinc/37/94/32/584379432.db2.gz	QKVOOUYTRDKWJJ-GFCCVEGCSA-N	0	1	239.319	0.516	20	30		BCEDMN
CCCNC(=S)NN=C(C)c1c[nH]c(N)n1	ZINC000901154199	584392372	/nfs/dbraw/zinc/39/23/72/584392372.db2.gz	PEKHXBSGZLQGSZ-UHFFFAOYSA-N	0	1	240.336	0.590	20	30		BCEDMN
CC(=NNC1CCOCC1)c1c[nH]c(N)n1	ZINC000901199021	584398389	/nfs/dbraw/zinc/39/83/89/584398389.db2.gz	SBRPWSWBARPZGW-UHFFFAOYSA-N	0	1	223.280	0.485	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@@H](C)N2)o1	ZINC000901217253	584401936	/nfs/dbraw/zinc/40/19/36/584401936.db2.gz	VFTVBYJKWWAPBZ-SSDOTTSWSA-N	0	1	222.248	0.559	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@H](C)N2)o1	ZINC000901217255	584401993	/nfs/dbraw/zinc/40/19/93/584401993.db2.gz	VFTVBYJKWWAPBZ-ZETCQYMHSA-N	0	1	222.248	0.559	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2csc(C#N)c2)N1	ZINC000901216876	584402055	/nfs/dbraw/zinc/40/20/55/584402055.db2.gz	SBAQFFQSDIVGCH-ZETCQYMHSA-N	0	1	233.300	0.891	20	30		BCEDMN
CCn1cc(CN=Nc2cnn(C)c2)nn1	ZINC000901232379	584404096	/nfs/dbraw/zinc/40/40/96/584404096.db2.gz	ZHGXFNZGASBNCM-UHFFFAOYSA-N	0	1	219.252	0.478	20	30		BCEDMN
Cn1nncc1NN=Cc1nccn1C1CC1	ZINC000901247701	584408826	/nfs/dbraw/zinc/40/88/26/584408826.db2.gz	KWHBFQYXLJUZKR-UHFFFAOYSA-N	0	1	231.263	0.793	20	30		BCEDMN
CCOc1ccc(C=NNC2=NCCN2)o1	ZINC000901252460	584410287	/nfs/dbraw/zinc/41/02/87/584410287.db2.gz	GKXIIGDROIRQQQ-UHFFFAOYSA-N	0	1	222.248	0.561	20	30		BCEDMN
CC(=NOC[C@@H]1CCOC1)c1c[nH]c(N)n1	ZINC000901228310	584412856	/nfs/dbraw/zinc/41/28/56/584412856.db2.gz	WAGRTFKVEWJAIN-MRVPVSSYSA-N	0	1	224.264	0.769	20	30		BCEDMN
CC(=NN[C@@H]1CCCC[C@H]1O)c1c[nH]c(N)n1	ZINC000901332693	584425384	/nfs/dbraw/zinc/42/53/84/584425384.db2.gz	KNECTJLTBVQLHR-PSASIEDQSA-N	0	1	237.307	0.609	20	30		BCEDMN
N#C[C@H]1CSCCN1C(=O)Cc1c[nH]cn1	ZINC000901322990	584430332	/nfs/dbraw/zinc/43/03/32/584430332.db2.gz	MQMAQAVCFPOWHF-VIFPVBQESA-N	0	1	236.300	0.420	20	30		BCEDMN
N#CCC[C@H](C#N)CNC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000901581274	584467291	/nfs/dbraw/zinc/46/72/91/584467291.db2.gz	GMUWZSKIGMQXPU-NDBYEHHHSA-N	0	1	249.314	0.823	20	30		BCEDMN
N#CCC[C@H](C#N)CNCCO[C@H]1CCOC1	ZINC000901616124	584469796	/nfs/dbraw/zinc/46/97/96/584469796.db2.gz	KVDIQLCIICLIJC-NEPJUHHUSA-N	0	1	237.303	0.825	20	30		BCEDMN
C[C@H](CC(N)=O)N[C@H](C)c1cc(C#N)ccn1	ZINC000902848786	584681643	/nfs/dbraw/zinc/68/16/43/584681643.db2.gz	XSWVOORBUIVHLZ-RKDXNWHRSA-N	0	1	232.287	0.868	20	30		BCEDMN
C=CC[C@H](CO)CN[C@H](C)c1cn(C)nn1	ZINC000902894986	584690861	/nfs/dbraw/zinc/69/08/61/584690861.db2.gz	QSTDVRNWTPGFJP-ZJUUUORDSA-N	0	1	224.308	0.650	20	30		BCEDMN
C#CCCOC(=O)NCCN1CCCOCC1	ZINC000859122779	589005416	/nfs/dbraw/zinc/00/54/16/589005416.db2.gz	LGRFXVSTUPUPND-UHFFFAOYSA-N	0	1	240.303	0.458	20	30		BCEDMN
COC[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1	ZINC000902976154	584707422	/nfs/dbraw/zinc/70/74/22/584707422.db2.gz	NTTIWJNJGZOKFA-GXSJLCMTSA-N	0	1	235.287	0.611	20	30		BCEDMN
C=C(C)C[C@@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000903095725	584729260	/nfs/dbraw/zinc/72/92/60/584729260.db2.gz	XQVFVCUTLWAKQE-UWVGGRQHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=C(C)C[C@@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000903095728	584729310	/nfs/dbraw/zinc/72/93/10/584729310.db2.gz	XQVFVCUTLWAKQE-ZJUUUORDSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CCCOC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000859176157	589014350	/nfs/dbraw/zinc/01/43/50/589014350.db2.gz	SXIHYGZRYDSQNS-UHFFFAOYSA-N	0	1	234.259	0.932	20	30		BCEDMN
COc1cc(CN[C@@H]2CNOC2)ccc1C#N	ZINC000904424395	584880987	/nfs/dbraw/zinc/88/09/87/584880987.db2.gz	RSFOGBXWNSQZIN-LLVKDONJSA-N	0	1	233.271	0.560	20	30		BCEDMN
C[C@H](OCC1CC1)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834493392	584913702	/nfs/dbraw/zinc/91/37/02/584913702.db2.gz	DFPGFMWTQBHKOU-JMJZKYOTSA-N	0	1	237.303	0.029	20	30		BCEDMN
C[C@H]1C[N@@H+](C)CC1=NOC[C@@H]1CCOC1	ZINC000788037701	584928250	/nfs/dbraw/zinc/92/82/50/584928250.db2.gz	XQRXRUGMBMJYDL-VHSXEESVSA-N	0	1	212.293	0.977	20	30		BCEDMN
C[C@H]1CN(C)CC1=NOC[C@@H]1CCOC1	ZINC000788037701	584928251	/nfs/dbraw/zinc/92/82/51/584928251.db2.gz	XQRXRUGMBMJYDL-VHSXEESVSA-N	0	1	212.293	0.977	20	30		BCEDMN
C#CCNC(=O)CN(CCO)CCCCC	ZINC000732871768	584941588	/nfs/dbraw/zinc/94/15/88/584941588.db2.gz	MYXOLMQNUHJBIK-UHFFFAOYSA-N	0	1	226.320	0.220	20	30		BCEDMN
C#CCOc1ccccc1CNC(=O)CN(C)C	ZINC000734178113	584958905	/nfs/dbraw/zinc/95/89/05/584958905.db2.gz	SXFJANQKRQITFI-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
C=CCOCC(=O)NC(C)(C)c1c[nH]nn1	ZINC000734335357	584960433	/nfs/dbraw/zinc/96/04/33/584960433.db2.gz	UAIAWUXBOKVPDN-UHFFFAOYSA-N	0	1	224.264	0.359	20	30		BCEDMN
C=CCCCn1cccc(-c2nn[nH]n2)c1=O	ZINC000735412467	584976305	/nfs/dbraw/zinc/97/63/05/584976305.db2.gz	CCSXYDVLKSJATD-UHFFFAOYSA-N	0	1	231.259	0.995	20	30		BCEDMN
C=C(C)C[N@@H+](CC)CCC(=O)N(C)CC(=O)[O-]	ZINC000736094983	584989450	/nfs/dbraw/zinc/98/94/50/584989450.db2.gz	BGWRGTVQWHMKFF-UHFFFAOYSA-N	0	1	242.319	0.818	20	30		BCEDMN
CC(C)C[N@@H+](CCC(=O)[O-])CC(=O)NCC#N	ZINC000736432457	585001584	/nfs/dbraw/zinc/00/15/84/585001584.db2.gz	BRXOAXJKUXKCEL-UHFFFAOYSA-N	0	1	241.291	0.059	20	30		BCEDMN
CCc1cnc(C=NNC2=NC[C@@H](C)N2)s1	ZINC000814896941	585015998	/nfs/dbraw/zinc/01/59/98/585015998.db2.gz	BCANEUNOSGURJG-SSDOTTSWSA-N	0	1	237.332	0.977	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cc(C)n[nH]1)[C@H]1CCCO1	ZINC000772893204	585018458	/nfs/dbraw/zinc/01/84/58/585018458.db2.gz	SHVLZRDIVWKSKH-VXGBXAGGSA-N	0	1	247.298	0.558	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1	ZINC000823496732	585028197	/nfs/dbraw/zinc/02/81/97/585028197.db2.gz	OXBIXGFAJUQEME-MNOVXSKESA-N	0	1	242.319	0.903	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N(C)Cc1cn[nH]c1C	ZINC000824055233	585028570	/nfs/dbraw/zinc/02/85/70/585028570.db2.gz	BPFIUPGZBUKALT-SNVBAGLBSA-N	0	1	235.287	0.715	20	30		BCEDMN
C[C@@]1(O)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1	ZINC000886033054	585036585	/nfs/dbraw/zinc/03/65/85/585036585.db2.gz	RAEHFEFHNOBTIP-VXGBXAGGSA-N	0	1	238.331	0.888	20	30		BCEDMN
CCN(CCC#N)C(=O)C[N@@H+](C)CCC(=O)[O-]	ZINC000737848064	585038553	/nfs/dbraw/zinc/03/85/53/585038553.db2.gz	BXMYCEHJRHORSO-UHFFFAOYSA-N	0	1	241.291	0.155	20	30		BCEDMN
C=CCONC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000838713430	585067172	/nfs/dbraw/zinc/06/71/72/585067172.db2.gz	OCGAHSACMCHIEV-AOOOYVTPSA-N	0	1	227.308	0.838	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)N1CCCC1	ZINC000838862334	585076105	/nfs/dbraw/zinc/07/61/05/585076105.db2.gz	TXPSAEZUTNEHKZ-UHFFFAOYSA-N	0	1	218.300	0.567	20	30		BCEDMN
CCC#C[C@@H](C)N1CCCN(C=O)CC1	ZINC000839022646	585087800	/nfs/dbraw/zinc/08/78/00/585087800.db2.gz	JZJBMBZAOSNEKS-GFCCVEGCSA-N	0	1	208.305	0.952	20	30		BCEDMN
CS[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000103330371	585098036	/nfs/dbraw/zinc/09/80/36/585098036.db2.gz	LWFSWKBZXOWTSC-YUMQZZPRSA-N	0	1	228.317	0.971	20	30		BCEDMN
CS[C@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000103330366	585098256	/nfs/dbraw/zinc/09/82/56/585098256.db2.gz	LWFSWKBZXOWTSC-SFYZADRCSA-N	0	1	228.317	0.971	20	30		BCEDMN
C#CCCCCCC(=O)Nc1nn[nH]c1C(N)=O	ZINC000839357593	585101866	/nfs/dbraw/zinc/10/18/66/585101866.db2.gz	WFVZUPLLVGLCSV-UHFFFAOYSA-N	0	1	249.274	0.426	20	30		BCEDMN
CC(C)OCCCN(C)CC(=O)NCCC#N	ZINC000740884596	585108126	/nfs/dbraw/zinc/10/81/26/585108126.db2.gz	VRQYSCZGTLANQN-UHFFFAOYSA-N	0	1	241.335	0.763	20	30		BCEDMN
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CCOC[C@@H]1CCN(CC(=O)NCCC#N)C1	ZINC000747966963	585186522	/nfs/dbraw/zinc/18/65/22/585186522.db2.gz	PQZOWLXJLIUUOV-LLVKDONJSA-N	0	1	239.319	0.375	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@@H](C)c2nnc[nH]2)cn1	ZINC000748380165	585192075	/nfs/dbraw/zinc/19/20/75/585192075.db2.gz	YDUXTJGDSVEJOF-QMMMGPOBSA-N	0	1	241.254	0.672	20	30		BCEDMN
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C[C@H](NC(N)=O)C(=O)Nc1cc(C#N)ccc1O	ZINC000748410638	585192533	/nfs/dbraw/zinc/19/25/33/585192533.db2.gz	OBIUHXADSHRDAL-LURJTMIESA-N	0	1	248.242	0.259	20	30		BCEDMN
C#CC[N@@H+](CCN1CCOCC1)CC1CC1	ZINC000753203150	585255285	/nfs/dbraw/zinc/25/52/85/585255285.db2.gz	CJAWZFQIAYIJCX-UHFFFAOYSA-N	0	1	222.332	0.664	20	30		BCEDMN
C#CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000753908171	585271980	/nfs/dbraw/zinc/27/19/80/585271980.db2.gz	XLGYMUSILGZXFN-PHIMTYICSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC(=O)Nc1cc(CN(C)C)ccn1	ZINC000754067528	585277142	/nfs/dbraw/zinc/27/71/42/585277142.db2.gz	ZWQQRRDZVYNFNN-UHFFFAOYSA-N	0	1	203.245	0.715	20	30		BCEDMN
CC(C)[N@H+]1CC(=Nn2cnnc2)[C@H](C)C1	ZINC000754256135	585281309	/nfs/dbraw/zinc/28/13/09/585281309.db2.gz	URJJZUNGENFOJI-SECBINFHSA-N	0	1	207.281	0.842	20	30		BCEDMN
Cc1nc[nH]c1C=NNc1nc(C)cc(=O)[nH]1	ZINC000755457010	585299890	/nfs/dbraw/zinc/29/98/90/585299890.db2.gz	XMUYNXYYKXBPJM-UHFFFAOYSA-N	0	1	232.247	0.968	20	30		BCEDMN
Cc1nc[nH]c1C=NN1C(=S)N=NC1C	ZINC000755511929	585301127	/nfs/dbraw/zinc/30/11/27/585301127.db2.gz	ZELMFSWVMQALSS-UHFFFAOYSA-N	0	1	222.277	0.789	20	30		BCEDMN
C#CCOCCC(=O)NCc1cn[nH]c1C	ZINC000755650889	585303428	/nfs/dbraw/zinc/30/34/28/585303428.db2.gz	OKFQRSVFCWOAKA-UHFFFAOYSA-N	0	1	221.260	0.374	20	30		BCEDMN
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N#CC1(NC(=O)c2nc[nH]n2)CCSCC1	ZINC000756031240	585313423	/nfs/dbraw/zinc/31/34/23/585313423.db2.gz	YEJVQJKZVFHCFA-UHFFFAOYSA-N	0	1	237.288	0.324	20	30		BCEDMN
COC[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000756234931	585315788	/nfs/dbraw/zinc/31/57/88/585315788.db2.gz	ZHVVEQLKRWEPDC-WPRPVWTQSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCOCCC(=O)OCc1n[nH]c(C)n1	ZINC000756581601	585321607	/nfs/dbraw/zinc/32/16/07/585321607.db2.gz	YUYRCZYDKKWBBB-UHFFFAOYSA-N	0	1	223.232	0.196	20	30		BCEDMN
C=CCNC(=O)COC(=O)Cc1cc(C)[nH]n1	ZINC000756699688	585322432	/nfs/dbraw/zinc/32/24/32/585322432.db2.gz	FOGUXWDVJCZSRI-UHFFFAOYSA-N	0	1	237.259	0.106	20	30		BCEDMN
N#CCNC(=O)C(F)(F)c1nccs1	ZINC000756820571	585323770	/nfs/dbraw/zinc/32/37/70/585323770.db2.gz	TZEKBZZADJJUFW-UHFFFAOYSA-N	0	1	217.200	0.875	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCCNC1=O)[C@H]1CCCO1	ZINC000839563303	585331309	/nfs/dbraw/zinc/33/13/09/585331309.db2.gz	HAVRUUQUNJYMJX-HBNTYKKESA-N	0	1	222.288	0.035	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839725023	585338570	/nfs/dbraw/zinc/33/85/70/585338570.db2.gz	TYSDZCAEOQYXIA-KKZNHRDASA-N	0	1	237.259	0.804	20	30		BCEDMN
C#CCNC(=S)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000758247837	585352858	/nfs/dbraw/zinc/35/28/58/585352858.db2.gz	SBTPFGJMWKUEBJ-GHMZBOCLSA-N	0	1	239.388	0.909	20	30		BCEDMN
C[C@H]1CC(O)C[C@H](C)N1CC(=O)NCCC#N	ZINC000759493253	585373843	/nfs/dbraw/zinc/37/38/43/585373843.db2.gz	YBCSYHKSJJFWBO-UWVGGRQHSA-N	0	1	239.319	0.250	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)Cn2cncn2)c1	ZINC000759716891	585379309	/nfs/dbraw/zinc/37/93/09/585379309.db2.gz	FVOVRVVNIXQMFY-UHFFFAOYSA-N	0	1	243.226	0.494	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCN(C)[C@H](C)C1	ZINC000761074536	585405492	/nfs/dbraw/zinc/40/54/92/585405492.db2.gz	XGBJGWNFDQQURN-GHMZBOCLSA-N	0	1	225.336	0.313	20	30		BCEDMN
C[C@@H]1CC(N=NC2CCOCC2)CN1C	ZINC000761818959	585419357	/nfs/dbraw/zinc/41/93/57/585419357.db2.gz	UPLKPQIQPJYQCE-SECBINFHSA-N	0	1	211.309	0.835	20	30		BCEDMN
C#CCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000762722575	585436172	/nfs/dbraw/zinc/43/61/72/585436172.db2.gz	GPFCGTOMUHCJJF-UHFFFAOYSA-N	0	1	238.199	0.730	20	30		BCEDMN
N#Cc1ncn(CCCNC(=O)C(F)(F)F)n1	ZINC000762772015	585436902	/nfs/dbraw/zinc/43/69/02/585436902.db2.gz	HUNFIQJHNUNWRY-UHFFFAOYSA-N	0	1	247.180	0.218	20	30		BCEDMN
COCC#CCOC(=O)c1[nH]nc2c1CCC2	ZINC000762798647	585437505	/nfs/dbraw/zinc/43/75/05/585437505.db2.gz	XOEZOXSSSNXXIO-UHFFFAOYSA-N	0	1	234.255	0.705	20	30		BCEDMN
CN(C)C1(C(=O)Nc2cnn(CC#N)c2)CCC1	ZINC000763030154	585442026	/nfs/dbraw/zinc/44/20/26/585442026.db2.gz	ORZQVACVEOMVHW-UHFFFAOYSA-N	0	1	247.302	0.829	20	30		BCEDMN
C#CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000763191650	585444201	/nfs/dbraw/zinc/44/42/01/585444201.db2.gz	DOGKIGLYKZCDDW-SSDOTTSWSA-N	0	1	206.249	0.739	20	30		BCEDMN
C#CCN(C(=O)N[C@H]1CCCN(C)C1)C1CC1	ZINC000764683781	585471063	/nfs/dbraw/zinc/47/10/63/585471063.db2.gz	KEXHSCXHZSXJGO-NSHDSACASA-N	0	1	235.331	0.888	20	30		BCEDMN
C=CCCS(=O)(=O)NCc1cc(CC)[nH]n1	ZINC000765184539	585482509	/nfs/dbraw/zinc/48/25/09/585482509.db2.gz	AOCQDJDQOIQPDC-UHFFFAOYSA-N	0	1	243.332	0.968	20	30		BCEDMN
CCCS(=O)(=O)C=C(O)NC1=NO[C@H](C)C1	ZINC000765374402	585484406	/nfs/dbraw/zinc/48/44/06/585484406.db2.gz	XHEHNNQANXPNNA-SSDOTTSWSA-N	0	1	248.304	0.050	20	30		BCEDMN
C=CCNC(=S)NN=C1CCN2CCC[C@H]12	ZINC000765552905	585489696	/nfs/dbraw/zinc/48/96/96/585489696.db2.gz	GKGVZZUVQGBJJP-SNVBAGLBSA-N	0	1	238.360	0.861	20	30		BCEDMN
C#CCCCN1CCn2c(C)nnc2C1	ZINC000766899935	585510449	/nfs/dbraw/zinc/51/04/49/585510449.db2.gz	ZQGLRZWWGSWYAY-UHFFFAOYSA-N	0	1	204.277	0.816	20	30		BCEDMN
C#CCCCN1CCN(C(C)(C)C(N)=O)CC1	ZINC000766905398	585511339	/nfs/dbraw/zinc/51/13/39/585511339.db2.gz	LQLBOLWJKWNCQA-UHFFFAOYSA-N	0	1	237.347	0.281	20	30		BCEDMN
C#C[C@H](CC)OC(=O)CCc1nc[nH]n1	ZINC000768055556	585531003	/nfs/dbraw/zinc/53/10/03/585531003.db2.gz	JPOGYVHNWCUFKV-MRVPVSSYSA-N	0	1	207.233	0.692	20	30		BCEDMN
C#CCOCCNC(=O)NCc1cn[nH]c1C	ZINC000768226249	585534230	/nfs/dbraw/zinc/53/42/30/585534230.db2.gz	IJSJRDJWTJICMJ-UHFFFAOYSA-N	0	1	236.275	0.167	20	30		BCEDMN
C[C@@H](C#N)OC(=O)CCCCc1cn[nH]n1	ZINC000768509562	585539371	/nfs/dbraw/zinc/53/93/71/585539371.db2.gz	MWHUFCGLSBQBMY-QMMMGPOBSA-N	0	1	222.248	0.973	20	30		BCEDMN
N#Cc1cnn(C(=O)c2ccc(O)c(F)c2)c1N	ZINC000768710365	585542285	/nfs/dbraw/zinc/54/22/85/585542285.db2.gz	RWYFCNGZJCXECC-UHFFFAOYSA-N	0	1	246.201	0.870	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000769284645	585552492	/nfs/dbraw/zinc/55/24/92/585552492.db2.gz	VKNPHMUWXSGFAI-CIUDSAMLSA-N	0	1	208.261	0.876	20	30		BCEDMN
COc1nc(C(=O)O[C@H](C)C#N)cc(=O)[nH]1	ZINC000770515125	585574855	/nfs/dbraw/zinc/57/48/55/585574855.db2.gz	FVNPNGROIGJTAM-RXMQYKEDSA-N	0	1	223.188	0.260	20	30		BCEDMN
Cc1nc(COC(=O)c2cc(C#N)cn2C)n[nH]1	ZINC000770640082	585578863	/nfs/dbraw/zinc/57/88/63/585578863.db2.gz	XFCIAJLYJNKBDU-UHFFFAOYSA-N	0	1	245.242	0.680	20	30		BCEDMN
CON=CC(=O)N1CCN(CC(C)C)CC1	ZINC000773727735	585643021	/nfs/dbraw/zinc/64/30/21/585643021.db2.gz	NARZSPVIPXRNCU-UHFFFAOYSA-N	0	1	227.308	0.419	20	30		BCEDMN
C[C@H](CC(N)=O)C(=O)Nc1cc(C#N)ccc1O	ZINC000774080590	585649799	/nfs/dbraw/zinc/64/97/99/585649799.db2.gz	IJVSCMCUVVSCBO-SSDOTTSWSA-N	0	1	247.254	0.714	20	30		BCEDMN
C=CCN(CC(=O)N(C)OC)C(C)C	ZINC000774557142	585661204	/nfs/dbraw/zinc/66/12/04/585661204.db2.gz	ASPOJHORJCFRHZ-UHFFFAOYSA-N	0	1	200.282	0.903	20	30		BCEDMN
C#C[C@H](NCc1cnn(C)c1C)[C@@H]1CCCO1	ZINC000775352962	585676310	/nfs/dbraw/zinc/67/63/10/585676310.db2.gz	YTYGBVQTPSDVKR-STQMWFEESA-N	0	1	233.315	0.999	20	30		BCEDMN
C#CC[C@@H](NCC(=O)NC(N)=O)c1ccccc1	ZINC000775399708	585677578	/nfs/dbraw/zinc/67/75/78/585677578.db2.gz	TVVUNDZEXVKULF-LLVKDONJSA-N	0	1	245.282	0.536	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@H](CO)CC(C)C	ZINC000775753225	585684107	/nfs/dbraw/zinc/68/41/07/585684107.db2.gz	FYANTRAMUXMBHD-NSHDSACASA-N	0	1	226.320	0.075	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCCN(C)C1=O)[C@@H]1CCCO1	ZINC000775801202	585685548	/nfs/dbraw/zinc/68/55/48/585685548.db2.gz	WRJORBDMMWAUDM-TUAOUCFPSA-N	0	1	236.315	0.378	20	30		BCEDMN
COCc1nc(C(=O)N=C2C[C@@H](C)ON2)co1	ZINC000775886353	585687194	/nfs/dbraw/zinc/68/71/94/585687194.db2.gz	LMMKWMGALPCXSR-ZCFIWIBFSA-N	0	1	239.231	0.673	20	30		BCEDMN
COCc1nc(C(=O)N=C2C[C@H](C)ON2)co1	ZINC000775886352	585687313	/nfs/dbraw/zinc/68/73/13/585687313.db2.gz	LMMKWMGALPCXSR-LURJTMIESA-N	0	1	239.231	0.673	20	30		BCEDMN
C[C@@H](CO)NN=Cc1cnccc1N(C)C	ZINC000776187436	585692136	/nfs/dbraw/zinc/69/21/36/585692136.db2.gz	HVJZVARTAUSCAN-VIFPVBQESA-N	0	1	222.292	0.452	20	30		BCEDMN
C#C[C@@H](NCCS(=O)(=O)CC)C(C)C	ZINC000300851141	585698888	/nfs/dbraw/zinc/69/88/88/585698888.db2.gz	FGMRLCOFRYTFLD-SNVBAGLBSA-N	0	1	217.334	0.669	20	30		BCEDMN
C#C[C@H](NCCS(=O)(=O)CC)C(C)C	ZINC000300851140	585698917	/nfs/dbraw/zinc/69/89/17/585698917.db2.gz	FGMRLCOFRYTFLD-JTQLQIEISA-N	0	1	217.334	0.669	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)C1	ZINC000776519168	585699787	/nfs/dbraw/zinc/69/97/87/585699787.db2.gz	YXBCUQVGSCARGH-DJLDLDEBSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCNC(=O)CN(C)C[C@H]1CCCC[C@H]1O	ZINC000778247763	585729500	/nfs/dbraw/zinc/72/95/00/585729500.db2.gz	XTMDRMNKXORASZ-VXGBXAGGSA-N	0	1	238.331	0.219	20	30		BCEDMN
CCn1nc(C)c(C=NNC2=NC[C@@H](C)N2)c1C	ZINC000779785066	585763064	/nfs/dbraw/zinc/76/30/64/585763064.db2.gz	NKDOJQDWPSXYKI-MRVPVSSYSA-N	0	1	248.334	0.791	20	30		BCEDMN
COc1cccc(O)c1C=NNC1=NC[C@H](C)N1	ZINC000779792326	585763734	/nfs/dbraw/zinc/76/37/34/585763734.db2.gz	LJPGTHPKLJBXSZ-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
Cc1ccc(O)c(C=NNC2=NC[C@H](C)N2)c1	ZINC000779792043	585763762	/nfs/dbraw/zinc/76/37/62/585763762.db2.gz	NVYCLUHVXOYHKP-VIFPVBQESA-N	0	1	232.287	0.972	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc3ccccn23)N1	ZINC000779793227	585763969	/nfs/dbraw/zinc/76/39/69/585763969.db2.gz	YCXCSDPWHNOFDM-VIFPVBQESA-N	0	1	242.286	0.606	20	30		BCEDMN
Cc1nc(C=NNC2=NC[C@@H](C)N2)cs1	ZINC000779793290	585764048	/nfs/dbraw/zinc/76/40/48/585764048.db2.gz	RVOWUAYWFPECEJ-ZCFIWIBFSA-N	0	1	223.305	0.723	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@H](C)N2)c1O	ZINC000779793252	585764090	/nfs/dbraw/zinc/76/40/90/585764090.db2.gz	YQXSPRISEJSFQB-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cc(F)ccc2O)N1	ZINC000779794272	585764502	/nfs/dbraw/zinc/76/45/02/585764502.db2.gz	GACDRDGGGJWCDK-SSDOTTSWSA-N	0	1	236.250	0.803	20	30		BCEDMN
COC(=O)c1ccc(C=NNC2=NC[C@H](C)N2)[nH]1	ZINC000779800408	585764761	/nfs/dbraw/zinc/76/47/61/585764761.db2.gz	YVWXLQDEQXNRTM-ZETCQYMHSA-N	0	1	249.274	0.073	20	30		BCEDMN
CC(C)n1cc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000779800858	585764800	/nfs/dbraw/zinc/76/48/00/585764800.db2.gz	QTELMDBVMXDOJG-VIFPVBQESA-N	0	1	234.307	0.735	20	30		BCEDMN
COc1cccc(N=NCc2cnnn2C)n1	ZINC000779817455	585766874	/nfs/dbraw/zinc/76/68/74/585766874.db2.gz	OCMZOWDWCRSTJW-UHFFFAOYSA-N	0	1	232.247	0.665	20	30		BCEDMN
C#CCNC(=O)CN[C@H](CO)c1ccccc1	ZINC000782051770	585807381	/nfs/dbraw/zinc/80/73/81/585807381.db2.gz	CZJVOIKIGWBAOI-GFCCVEGCSA-N	0	1	232.283	0.059	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cnccc1C	ZINC000782999642	585826741	/nfs/dbraw/zinc/82/67/41/585826741.db2.gz	QWWLIKJPWZSDNJ-LLVKDONJSA-N	0	1	231.299	0.790	20	30		BCEDMN
COCC#CCN1CCC2(COC(=O)N2)CC1	ZINC000784457136	585860512	/nfs/dbraw/zinc/86/05/12/585860512.db2.gz	YNLWNUFWWGXORY-UHFFFAOYSA-N	0	1	238.287	0.211	20	30		BCEDMN
C#C[C@@H](NCc1ccnc(N)c1)[C@H]1CCCO1	ZINC000785814406	585881270	/nfs/dbraw/zinc/88/12/70/585881270.db2.gz	NBGSCCTVGWTUAI-VXGBXAGGSA-N	0	1	231.299	0.934	20	30		BCEDMN
CCc1nc(COC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000786091428	585886995	/nfs/dbraw/zinc/88/69/95/585886995.db2.gz	CXCPTXTUONFBNZ-UHFFFAOYSA-N	0	1	245.242	0.924	20	30		BCEDMN
C=CCCN(C)CN1C[C@H](C(=O)OC)CC1=O	ZINC000786100573	585887106	/nfs/dbraw/zinc/88/71/06/585887106.db2.gz	BYRHXRRSNRKORK-SNVBAGLBSA-N	0	1	240.303	0.473	20	30		BCEDMN
C=CCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1	ZINC000786443280	585891617	/nfs/dbraw/zinc/89/16/17/585891617.db2.gz	IKSDAHVWLFDKAJ-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
CC[C@@H](CC#N)OC(=O)CCc1nc[nH]n1	ZINC000787089306	585901098	/nfs/dbraw/zinc/90/10/98/585901098.db2.gz	FUGGUIUQOZGGOM-QMMMGPOBSA-N	0	1	222.248	0.973	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NOCCOC	ZINC000787409957	585908924	/nfs/dbraw/zinc/90/89/24/585908924.db2.gz	SYCSNXUSPFHFNZ-NXEZZACHSA-N	0	1	229.276	0.662	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2CCCN2C2CC2)=NO1	ZINC000787477360	585910208	/nfs/dbraw/zinc/91/02/08/585910208.db2.gz	CSMGPGYRNGRFHX-WPRPVWTQSA-N	0	1	237.303	0.852	20	30		BCEDMN
CC#CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000788309188	585921640	/nfs/dbraw/zinc/92/16/40/585921640.db2.gz	SJWFPLKYVZUIJQ-QMMMGPOBSA-N	0	1	205.261	0.789	20	30		BCEDMN
CN(C)c1ccncc1C=NN[C@H]1CCOC1	ZINC000788452577	585924595	/nfs/dbraw/zinc/92/45/95/585924595.db2.gz	PJAJMIPXJAXPOQ-NSHDSACASA-N	0	1	234.303	0.860	20	30		BCEDMN
C#CCn1ccc(CN(CC)C[C@H](C)CO)n1	ZINC000789332612	585940019	/nfs/dbraw/zinc/94/00/19/585940019.db2.gz	UIKGLUKRUWWAJH-LBPRGKRZSA-N	0	1	235.331	0.967	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)c1[nH]nnc1C	ZINC000789960893	585954778	/nfs/dbraw/zinc/95/47/78/585954778.db2.gz	WKYHXVOJFPQXRW-SSDOTTSWSA-N	0	1	221.264	0.735	20	30		BCEDMN
C=CCN(C(=O)c1[nH]nnc1C)C1CC1	ZINC000790012313	585956242	/nfs/dbraw/zinc/95/62/42/585956242.db2.gz	ORGLARPNGYCKNH-UHFFFAOYSA-N	0	1	206.249	0.904	20	30		BCEDMN
C#CCOCCC(=O)NCCN1CC=CCC1	ZINC000794116260	586032752	/nfs/dbraw/zinc/03/27/52/586032752.db2.gz	UKOKCCCFARUZQQ-UHFFFAOYSA-N	0	1	236.315	0.404	20	30		BCEDMN
COCCCNN=C1CCN2CCC[C@@H]12	ZINC000794542641	586043236	/nfs/dbraw/zinc/04/32/36/586043236.db2.gz	SLTBFISAZULECW-NSHDSACASA-N	0	1	211.309	0.837	20	30		BCEDMN
CC(N=Nc1cnn(C)c1)c1cn[nH]c1	ZINC000794859060	586051848	/nfs/dbraw/zinc/05/18/48/586051848.db2.gz	HGFQECRGXSEBRV-UHFFFAOYSA-N	0	1	204.237	0.979	20	30		BCEDMN
Cc1ccc(N=NC2C(=O)OC[C@@H]2C)nn1	ZINC000794908303	586054200	/nfs/dbraw/zinc/05/42/00/586054200.db2.gz	FSQVIKNCLLQCFO-LURJTMIESA-N	0	1	220.232	0.746	20	30		BCEDMN
Cc1ccc(N=NC2C(=O)OC[C@H]2C)nn1	ZINC000794908305	586054442	/nfs/dbraw/zinc/05/44/42/586054442.db2.gz	FSQVIKNCLLQCFO-ZCFIWIBFSA-N	0	1	220.232	0.746	20	30		BCEDMN
Cc1nc(COC(=O)c2ccc(C#N)cn2)n[nH]1	ZINC000795394777	586077106	/nfs/dbraw/zinc/07/71/06/586077106.db2.gz	HAEMAWFUKRHBJY-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
C#Cc1ccc(C(=O)OCc2n[nH]c(C)n2)cn1	ZINC000795390312	586077114	/nfs/dbraw/zinc/07/71/14/586077114.db2.gz	SBPHZDOJLKLRPZ-UHFFFAOYSA-N	0	1	242.238	0.846	20	30		BCEDMN
C#Cc1ccc(C(=O)OCc2n[nH]c(C)n2)nc1	ZINC000795391148	586077160	/nfs/dbraw/zinc/07/71/60/586077160.db2.gz	ZTCBZOSQQCWZBI-UHFFFAOYSA-N	0	1	242.238	0.846	20	30		BCEDMN
Cc1nc(COC(=O)c2cnccc2C#N)n[nH]1	ZINC000795600399	586088129	/nfs/dbraw/zinc/08/81/29/586088129.db2.gz	OFBNDWANMIKXQO-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
CCN1CCN(CC(=O)NCCC#N)[C@@H](C)C1	ZINC000796322239	586100570	/nfs/dbraw/zinc/10/05/70/586100570.db2.gz	IKISVQFOMGQAQB-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)CN(CC)C1CC1	ZINC000799071701	586155690	/nfs/dbraw/zinc/15/56/90/586155690.db2.gz	PTRWSAGWLNBSGF-GFCCVEGCSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCOCCN(C)[C@@H]1CCN(CC=C)C1=O	ZINC000799146376	586161398	/nfs/dbraw/zinc/16/13/98/586161398.db2.gz	DXXQKZCXROYDNJ-GFCCVEGCSA-N	0	1	236.315	0.355	20	30		BCEDMN
N#CCC1CCN([C@H]2CCC(=O)NC2=O)CC1	ZINC000799163340	586162657	/nfs/dbraw/zinc/16/26/57/586162657.db2.gz	IXAXULKANQPNJA-JTQLQIEISA-N	0	1	235.287	0.417	20	30		BCEDMN
CSCCCN(C)CC(=O)NCCC#N	ZINC000799199177	586167344	/nfs/dbraw/zinc/16/73/44/586167344.db2.gz	RZDBRCCLAFOGQV-UHFFFAOYSA-N	0	1	229.349	0.701	20	30		BCEDMN
C[C@H](CO)NN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000799481911	586178838	/nfs/dbraw/zinc/17/88/38/586178838.db2.gz	LFKOXSLPWUSEHK-RXMQYKEDSA-N	0	1	236.197	0.733	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cnoc1C	ZINC000799485525	586179218	/nfs/dbraw/zinc/17/92/18/586179218.db2.gz	QVQWBGTVCXSTQV-ZCFIWIBFSA-N	0	1	221.264	0.644	20	30		BCEDMN
C#CCC[N@H+](CCOC)CCc1cn(C)nn1	ZINC000859360993	589034234	/nfs/dbraw/zinc/03/42/34/589034234.db2.gz	JKRNHOSWATXVFR-UHFFFAOYSA-N	0	1	236.319	0.329	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cn(C)c(C)n1	ZINC000800815574	586231972	/nfs/dbraw/zinc/23/19/72/586231972.db2.gz	FOPMEYKFOHOVKM-SSDOTTSWSA-N	0	1	234.307	0.390	20	30		BCEDMN
C=CC[C@@H]1CCN(CCS(C)(=O)=O)C1	ZINC000859443993	589036829	/nfs/dbraw/zinc/03/68/29/589036829.db2.gz	ZINMDBRBXISYRO-SNVBAGLBSA-N	0	1	217.334	0.929	20	30		BCEDMN
Cc1cc(CC(=O)OCCO[C@H](C)C#N)n[nH]1	ZINC000801846972	586273805	/nfs/dbraw/zinc/27/38/05/586273805.db2.gz	DFGLDMLUWIPUKV-SECBINFHSA-N	0	1	237.259	0.733	20	30		BCEDMN
C[C@@H](C#N)OCCN(CCO)Cc1cccnc1	ZINC000801929031	586278408	/nfs/dbraw/zinc/27/84/08/586278408.db2.gz	OJUROXGKHOUKGA-LBPRGKRZSA-N	0	1	249.314	0.805	20	30		BCEDMN
C#CCCN1CCN(CCO[C@@H](C)C#N)CC1	ZINC000801936714	586280013	/nfs/dbraw/zinc/28/00/13/586280013.db2.gz	XSRDDTAYOQMCEN-ZDUSSCGKSA-N	0	1	235.331	0.556	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCc2n[nH]nc2C1	ZINC000801948174	586282832	/nfs/dbraw/zinc/28/28/32/586282832.db2.gz	RCHKKXCIJWZHPQ-QMMMGPOBSA-N	0	1	221.264	0.091	20	30		BCEDMN
CCN(CCO[C@H](C)C#N)[C@H]1CCNC1=O	ZINC000801953330	586283737	/nfs/dbraw/zinc/28/37/37/586283737.db2.gz	MSMULLHWSIAHQU-ZJUUUORDSA-N	0	1	225.292	0.125	20	30		BCEDMN
C#CCCCN1C[C@@H](C)O[C@H](C(=O)OC)C1	ZINC000859652704	589051966	/nfs/dbraw/zinc/05/19/66/589051966.db2.gz	DOQFAEJLNWLWBW-MNOVXSKESA-N	0	1	225.288	0.662	20	30		BCEDMN
N#Cc1ccc(OCC(=O)Nc2c[nH]nn2)cc1	ZINC000807922931	586452189	/nfs/dbraw/zinc/45/21/89/586452189.db2.gz	MFHGAYKXQZCNGE-UHFFFAOYSA-N	0	1	243.226	0.694	20	30		BCEDMN
c1nc(N=NCc2cnc3ccccn23)n[nH]1	ZINC000807996031	586455822	/nfs/dbraw/zinc/45/58/22/586455822.db2.gz	SVRLCMAEFFIVKY-UHFFFAOYSA-N	0	1	227.231	0.898	20	30		BCEDMN
N#CC[C@@H](O)CN[C@@H](CCO)c1ccccc1	ZINC000809578613	586508227	/nfs/dbraw/zinc/50/82/27/586508227.db2.gz	OQTCUOIYMOVYAG-OLZOCXBDSA-N	0	1	234.299	0.974	20	30		BCEDMN
N#CC[C@@H](O)CN1CCS[C@H]2COCC[C@@H]21	ZINC000809576540	586508280	/nfs/dbraw/zinc/50/82/80/586508280.db2.gz	CGLWQIDXHZXUJJ-VWYCJHECSA-N	0	1	242.344	0.467	20	30		BCEDMN
CCOC(=O)c1cc(NC(=O)C=NOC)n[nH]1	ZINC000809749612	586514543	/nfs/dbraw/zinc/51/45/43/586514543.db2.gz	NHRMENMBFKLVQY-UHFFFAOYSA-N	0	1	240.219	0.157	20	30		BCEDMN
CCN1CCN(C(=O)C=NOC)C[C@@H]1C	ZINC000809734270	586515206	/nfs/dbraw/zinc/51/52/06/586515206.db2.gz	CCZMIPKOYQVGEJ-VIFPVBQESA-N	0	1	213.281	0.171	20	30		BCEDMN
CCN1C[C@H](C)N(C(=O)C=NOC)C[C@H]1C	ZINC000809740571	586515355	/nfs/dbraw/zinc/51/53/55/586515355.db2.gz	DQPDSLVFHBHVDK-ZJUUUORDSA-N	0	1	227.308	0.560	20	30		BCEDMN
CCN1C[C@H](C)N(C(=O)C=NOC)C[C@@H]1C	ZINC000809740569	586515789	/nfs/dbraw/zinc/51/57/89/586515789.db2.gz	DQPDSLVFHBHVDK-UWVGGRQHSA-N	0	1	227.308	0.560	20	30		BCEDMN
C[C@@H](CC#N)NN=Cc1cnc(N(C)C)n1C	ZINC000811645647	586562446	/nfs/dbraw/zinc/56/24/46/586562446.db2.gz	USZWWMGGAFTNNF-VIFPVBQESA-N	0	1	234.307	0.712	20	30		BCEDMN
C[C@H](C#N)CNN=Cc1cnc(N(C)C)n1C	ZINC000811645257	586562556	/nfs/dbraw/zinc/56/25/56/586562556.db2.gz	GCWLTPXMVQHWCE-SECBINFHSA-N	0	1	234.307	0.569	20	30		BCEDMN
CCOCCON=Cc1cnc(N(C)C)n1C	ZINC000811648984	586562861	/nfs/dbraw/zinc/56/28/61/586562861.db2.gz	WXBOPSZUXIOIIA-UHFFFAOYSA-N	0	1	240.307	0.873	20	30		BCEDMN
CC[C@@H](O)CNN=C1CCN2CCC[C@H]12	ZINC000811652552	586563412	/nfs/dbraw/zinc/56/34/12/586563412.db2.gz	PHBGBWDVOUVNQD-MWLCHTKSSA-N	0	1	211.309	0.571	20	30		BCEDMN
CC(C)CN(CCC#N)CCC(=O)NC(N)=O	ZINC000813331704	586600390	/nfs/dbraw/zinc/60/03/90/586600390.db2.gz	QHKHNYUOXRIPCJ-UHFFFAOYSA-N	0	1	240.307	0.443	20	30		BCEDMN
CC(=NNC(=N)N)c1cn(-c2ccccc2)nn1	ZINC000814796948	586635006	/nfs/dbraw/zinc/63/50/06/586635006.db2.gz	XSHCORCQZOKFAX-UHFFFAOYSA-N	0	1	243.274	0.474	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2nc(C#N)cs2)N1	ZINC000814897201	586645133	/nfs/dbraw/zinc/64/51/33/586645133.db2.gz	GVNRIMNWJPWUAA-ZCFIWIBFSA-N	0	1	234.288	0.286	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1csnn1	ZINC000814899122	586645801	/nfs/dbraw/zinc/64/58/01/586645801.db2.gz	ZQLMXKZKFJFODU-RXMQYKEDSA-N	0	1	224.293	0.199	20	30		BCEDMN
CC(N=Nc1cnn(C)c1)c1cc[nH]n1	ZINC000814915031	586650249	/nfs/dbraw/zinc/65/02/49/586650249.db2.gz	MPOKKKYCXCQDIK-UHFFFAOYSA-N	0	1	204.237	0.979	20	30		BCEDMN
CC(C)N1CC(=NNC[C@@H](C)O)[C@H](C)C1	ZINC000814960979	586659550	/nfs/dbraw/zinc/65/95/50/586659550.db2.gz	WIPXXPKAVJZFEU-NXEZZACHSA-N	0	1	213.325	0.673	20	30		BCEDMN
C[C@H](O)CNN=Cc1cnccc1N(C)C	ZINC000814964784	586661152	/nfs/dbraw/zinc/66/11/52/586661152.db2.gz	DPLPITSAXDVSEL-VIFPVBQESA-N	0	1	222.292	0.452	20	30		BCEDMN
Cc1cccnc1CN=Nc1cnnn1C	ZINC000814979640	586662444	/nfs/dbraw/zinc/66/24/44/586662444.db2.gz	OBHXOUCHOHBTCA-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
COc1cc(CN=Nc2cnnn2C)ccc1O	ZINC000814981221	586662939	/nfs/dbraw/zinc/66/29/39/586662939.db2.gz	ZLXWITHZAMJZBF-UHFFFAOYSA-N	0	1	247.258	0.975	20	30		BCEDMN
C[C@H]1CC(N=Nc2cnnn2C)CN1C	ZINC000814982274	586663443	/nfs/dbraw/zinc/66/34/43/586663443.db2.gz	UALGRPNGVPOFMC-ZETCQYMHSA-N	0	1	208.269	0.307	20	30		BCEDMN
C=CCC(F)(F)C(=O)N1CCc2[nH]nnc2C1	ZINC000815711153	586692078	/nfs/dbraw/zinc/69/20/78/586692078.db2.gz	HEMPJKGPRBEVNW-UHFFFAOYSA-N	0	1	242.229	0.901	20	30		BCEDMN
CC(C)n1cc(C(=O)NC2=NO[C@H](C)C2)nn1	ZINC000815885488	586696206	/nfs/dbraw/zinc/69/62/06/586696206.db2.gz	PMJPGPFQKUDJJQ-SSDOTTSWSA-N	0	1	237.263	0.711	20	30		BCEDMN
C#CCCCC(=O)NCCCc1nc[nH]n1	ZINC000816490992	586737120	/nfs/dbraw/zinc/73/71/20/586737120.db2.gz	RODSZPWTFVACCX-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000816674142	586754153	/nfs/dbraw/zinc/75/41/53/586754153.db2.gz	RWBXMRTXDJKXSS-UWVGGRQHSA-N	0	1	247.298	0.330	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000818621431	586908166	/nfs/dbraw/zinc/90/81/66/586908166.db2.gz	UYOHPJUFRRPUTQ-TXEJJXNPSA-N	0	1	238.331	0.577	20	30		BCEDMN
CON(C)C(=O)CCNCC1(C#N)CC1	ZINC000819280356	586947841	/nfs/dbraw/zinc/94/78/41/586947841.db2.gz	CSSAGVFZXLZKQC-UHFFFAOYSA-N	0	1	211.265	0.290	20	30		BCEDMN
Cn1ncc(CCCNC[C@H](C#N)CCC#N)n1	ZINC000819331305	586953512	/nfs/dbraw/zinc/95/35/12/586953512.db2.gz	QILRKWBLLDMYPC-NSHDSACASA-N	0	1	246.318	0.781	20	30		BCEDMN
C=C(CC)C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819706105	586987367	/nfs/dbraw/zinc/98/73/67/586987367.db2.gz	OOPBEXBVRCKPTB-SNVBAGLBSA-N	0	1	242.319	0.864	20	30		BCEDMN
N#CC1(NC(=O)CN2CCCC2)CCOCC1	ZINC000820028781	587014113	/nfs/dbraw/zinc/01/41/13/587014113.db2.gz	ONEHHBIGIXIHRA-UHFFFAOYSA-N	0	1	237.303	0.271	20	30		BCEDMN
C[C@H]1CC(=NNCCC(=O)[O-])CC[N@H+]1C	ZINC000820221619	587036351	/nfs/dbraw/zinc/03/63/51/587036351.db2.gz	RQJBWIVRKOFNKX-QMMMGPOBSA-N	0	1	213.281	0.521	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H](C)N(C)C	ZINC000820317444	587043038	/nfs/dbraw/zinc/04/30/38/587043038.db2.gz	FOTZRAPNNYKWPB-LLVKDONJSA-N	0	1	206.289	0.422	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CCCc1nn[nH]n1	ZINC000820317877	587043617	/nfs/dbraw/zinc/04/36/17/587043617.db2.gz	UKTYZTNGXGMWER-UHFFFAOYSA-N	0	1	245.286	0.008	20	30		BCEDMN
C#CCCCNC(=O)CCCc1nn[nH]n1	ZINC000820346883	587044441	/nfs/dbraw/zinc/04/44/41/587044441.db2.gz	OVJCIVDEZXXAID-UHFFFAOYSA-N	0	1	221.264	0.052	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000820405514	587046555	/nfs/dbraw/zinc/04/65/55/587046555.db2.gz	HJORQYVDJOTETM-RQJHMYQMSA-N	0	1	221.264	0.495	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1CCCCN1C	ZINC000820456687	587050122	/nfs/dbraw/zinc/05/01/22/587050122.db2.gz	CPTTYRDTXGLDJN-LBPRGKRZSA-N	0	1	218.300	0.566	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000820458574	587050125	/nfs/dbraw/zinc/05/01/25/587050125.db2.gz	YNVSLGGERULSPE-GHMZBOCLSA-N	0	1	227.267	0.608	20	30		BCEDMN
CN(C)c1ncc(C=[NH+]NCCC(=O)[O-])s1	ZINC000820554343	587054115	/nfs/dbraw/zinc/05/41/15/587054115.db2.gz	NFLIIDOOAQFHLE-UHFFFAOYSA-N	0	1	242.304	0.607	20	30		BCEDMN
C#C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCO1	ZINC000822072846	587151284	/nfs/dbraw/zinc/15/12/84/587151284.db2.gz	NHFKYSMEEIWDKY-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#C[C@H](C)NC(=O)C(C)(C)CN1CCOCC1	ZINC000822082454	587152180	/nfs/dbraw/zinc/15/21/80/587152180.db2.gz	MOCATDNSKOEJHZ-NSHDSACASA-N	0	1	238.331	0.483	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CCCc1nn[nH]n1	ZINC000822472502	587170407	/nfs/dbraw/zinc/17/04/07/587170407.db2.gz	KYJMZKMCOSMMNO-MRVPVSSYSA-N	0	1	221.264	0.003	20	30		BCEDMN
N#CC1(CNC(=O)CN2CCCC2)CC1	ZINC000822632177	587178460	/nfs/dbraw/zinc/17/84/60/587178460.db2.gz	AFZDCJVLFGRXGC-UHFFFAOYSA-N	0	1	207.277	0.502	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C)C1	ZINC000823132806	587204466	/nfs/dbraw/zinc/20/44/66/587204466.db2.gz	IMSRTFYCMKWVCB-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823450778	587222925	/nfs/dbraw/zinc/22/29/25/587222925.db2.gz	IYJCMYLTPIAAKY-ZJUUUORDSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823450775	587222801	/nfs/dbraw/zinc/22/28/01/587222801.db2.gz	IYJCMYLTPIAAKY-NXEZZACHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000823497060	587227717	/nfs/dbraw/zinc/22/77/17/587227717.db2.gz	VLMGCJMBVDWREU-UWVGGRQHSA-N	0	1	228.292	0.655	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000824290897	587264855	/nfs/dbraw/zinc/26/48/55/587264855.db2.gz	SLJJLMJOIDXJJM-SNVBAGLBSA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CCCN1CCN(C(=O)C2(N(C)C)CC2)CC1	ZINC000825077773	587302620	/nfs/dbraw/zinc/30/26/20/587302620.db2.gz	IACDVZWWGFCHTB-UHFFFAOYSA-N	0	1	249.358	0.248	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)[C@@H](C)N(C)C	ZINC000825079996	587303215	/nfs/dbraw/zinc/30/32/15/587303215.db2.gz	CSFPPHAHQRDTAE-GHMZBOCLSA-N	0	1	226.320	0.481	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000825080454	587303456	/nfs/dbraw/zinc/30/34/56/587303456.db2.gz	PZLGQAVBEKRQME-GMTAPVOTSA-N	0	1	247.298	0.668	20	30		BCEDMN
C#CCONC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000825136354	587305980	/nfs/dbraw/zinc/30/59/80/587305980.db2.gz	ACQPGSBSCNXMQC-KGDYZURWSA-N	0	1	207.229	0.091	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CCC[N@@H+]1C(C)C	ZINC000825136970	587306314	/nfs/dbraw/zinc/30/63/14/587306314.db2.gz	IGJYOTZIQXPFKE-JTQLQIEISA-N	0	1	210.277	0.540	20	30		BCEDMN
C=CC[N@H+](C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825675722	587331079	/nfs/dbraw/zinc/33/10/79/587331079.db2.gz	BDJSYHLZKKXHAJ-SECBINFHSA-N	0	1	201.266	0.982	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@H]1C	ZINC000827384099	587379204	/nfs/dbraw/zinc/37/92/04/587379204.db2.gz	NPBFJZNZABRRHW-IJLUTSLNSA-N	0	1	238.331	0.576	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCc1cc(CC)[nH]n1	ZINC000827425448	587380845	/nfs/dbraw/zinc/38/08/45/587380845.db2.gz	PETQLZZMLKCUKY-SECBINFHSA-N	0	1	209.249	0.135	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000827491445	587382824	/nfs/dbraw/zinc/38/28/24/587382824.db2.gz	PLQYCOUAYOSPIL-LLVKDONJSA-N	0	1	226.320	0.334	20	30		BCEDMN
C#Cc1cnc(NCCN2CCSCC2)nc1	ZINC000827617610	587392488	/nfs/dbraw/zinc/39/24/88/587392488.db2.gz	CNEDWNGPULEVBW-UHFFFAOYSA-N	0	1	248.355	0.919	20	30		BCEDMN
C#CC(C)(C)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000827633894	587393165	/nfs/dbraw/zinc/39/31/65/587393165.db2.gz	DXNCYFCYCOOUFG-QMMMGPOBSA-N	0	1	232.287	0.753	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1coc(C=O)c1	ZINC000827971772	587414057	/nfs/dbraw/zinc/41/40/57/587414057.db2.gz	GXHKGMSQZJJUEH-UHFFFAOYSA-N	0	1	234.255	0.387	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000827971682	587414184	/nfs/dbraw/zinc/41/41/84/587414184.db2.gz	DWRHIQDIRJKPHT-FHUSYTEZSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC)C[C@H]2C)nc1	ZINC000828172675	587423262	/nfs/dbraw/zinc/42/32/62/587423262.db2.gz	ORVXMICMLYTMEO-LLVKDONJSA-N	0	1	230.315	0.988	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCC(F)F	ZINC000828461478	587443667	/nfs/dbraw/zinc/44/36/67/587443667.db2.gz	YPUGTFTWXZJCRS-RQJHMYQMSA-N	0	1	221.203	0.890	20	30		BCEDMN
C#C[C@H](NC[C@@](C)(O)C(C)=O)[C@@H]1CCCO1	ZINC000828954888	587475379	/nfs/dbraw/zinc/47/53/79/587475379.db2.gz	YBWZIBIAORNGFN-SDDRHHMPSA-N	0	1	225.288	0.097	20	30		BCEDMN
C#CCCCNC(=O)Cc1n[nH]c(C)n1	ZINC000828991610	587478254	/nfs/dbraw/zinc/47/82/54/587478254.db2.gz	QZTUZKSQQHEPIU-UHFFFAOYSA-N	0	1	206.249	0.185	20	30		BCEDMN
N#CC(C(=O)COCC(F)F)C(=O)NC1CC1	ZINC000860473720	589102129	/nfs/dbraw/zinc/10/21/29/589102129.db2.gz	QQYROOZFGKQOQC-SSDOTTSWSA-N	0	1	246.213	0.256	20	30		BCEDMN
C#CC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000829810414	587518215	/nfs/dbraw/zinc/51/82/15/587518215.db2.gz	PSNRKUVWCMTNJO-JTQLQIEISA-N	0	1	234.303	0.344	20	30		BCEDMN
C#CC[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000829810414	587518217	/nfs/dbraw/zinc/51/82/17/587518217.db2.gz	PSNRKUVWCMTNJO-JTQLQIEISA-N	0	1	234.303	0.344	20	30		BCEDMN
C#CC1CCN(CC(=O)NCCC#N)CC1	ZINC000830311179	587545288	/nfs/dbraw/zinc/54/52/88/587545288.db2.gz	GQOMHWOKUNZHCO-UHFFFAOYSA-N	0	1	219.288	0.361	20	30		BCEDMN
CC(C)C#CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000830907914	587577234	/nfs/dbraw/zinc/57/72/34/587577234.db2.gz	XYESYDZJENHBIF-SNVBAGLBSA-N	0	1	247.302	0.565	20	30		BCEDMN
C[NH+]1CCN(N=Cc2ccc(C(=O)[O-])[nH]2)CC1	ZINC000830954845	587578742	/nfs/dbraw/zinc/57/87/42/587578742.db2.gz	NTWYXZXHMRGLMH-UHFFFAOYSA-N	0	1	236.275	0.294	20	30		BCEDMN
COCn1ccc(C(=O)N=C2C[C@@H](C)ON2)n1	ZINC000831400384	587603953	/nfs/dbraw/zinc/60/39/53/587603953.db2.gz	YIWXSJSESFPMMY-SSDOTTSWSA-N	0	1	238.247	0.339	20	30		BCEDMN
C#CCNC(=O)CN1CCSC[C@H]1C1CC1	ZINC000831773225	587631328	/nfs/dbraw/zinc/63/13/28/587631328.db2.gz	MHJMYHFADLGBCJ-NSHDSACASA-N	0	1	238.356	0.563	20	30		BCEDMN
C#CCNC(=O)CN1CCSC[C@@H]1C1CC1	ZINC000831773224	587631456	/nfs/dbraw/zinc/63/14/56/587631456.db2.gz	MHJMYHFADLGBCJ-LLVKDONJSA-N	0	1	238.356	0.563	20	30		BCEDMN
C#C[C@H](NC(=O)C1(N(C)C)CC1)[C@H]1CCCO1	ZINC000832411846	587659148	/nfs/dbraw/zinc/65/91/48/587659148.db2.gz	JXNOLHLITSUSMY-WDEREUQCSA-N	0	1	236.315	0.378	20	30		BCEDMN
COC[C@H]1CCCCN1CC(=O)NCCC#N	ZINC000832605783	587669002	/nfs/dbraw/zinc/66/90/02/587669002.db2.gz	OXBHTWBHQLJCCL-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCCN1CC[NH+](C/C=C(/C)C(=O)[O-])CC1	ZINC000833362353	587708315	/nfs/dbraw/zinc/70/83/15/587708315.db2.gz	NJAJRMRTOJAJSY-XGICHPGQSA-N	0	1	236.315	0.658	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833362135	587708399	/nfs/dbraw/zinc/70/83/99/587708399.db2.gz	APQBUOGSMHRSPP-NXEZZACHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@H+](CCC(=O)[O-])C[C@H]1CCCO1	ZINC000833362348	587708417	/nfs/dbraw/zinc/70/84/17/587708417.db2.gz	NFQBHNCLVHTXLI-LLVKDONJSA-N	0	1	225.288	0.965	20	30		BCEDMN
C=C(C)C[N@H+](C)[C@@H](COCC)C(=O)[O-]	ZINC000833368721	587709282	/nfs/dbraw/zinc/70/92/82/587709282.db2.gz	REWRZBKJCGLGSY-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000833368212	587709314	/nfs/dbraw/zinc/70/93/14/587709314.db2.gz	CRUFOYWUSFMQFN-DTWKUNHWSA-N	0	1	201.266	0.576	20	30		BCEDMN
C=CC[N@H+](CN1C[C@H](C(=O)[O-])CC1=O)C(C)C	ZINC000833374202	587710686	/nfs/dbraw/zinc/71/06/86/587710686.db2.gz	CDOWDGURIDPEAE-SNVBAGLBSA-N	0	1	240.303	0.773	20	30		BCEDMN
C=CC[N@@H+](CN1C[C@H](C(=O)[O-])CC1=O)C(C)C	ZINC000833374202	587710687	/nfs/dbraw/zinc/71/06/87/587710687.db2.gz	CDOWDGURIDPEAE-SNVBAGLBSA-N	0	1	240.303	0.773	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833374397	587710781	/nfs/dbraw/zinc/71/07/81/587710781.db2.gz	ZKWMWFOJJOAWHD-NXEZZACHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CC[N@H+](CN1C[C@@H](C(=O)[O-])CC1=O)C(C)C	ZINC000833374201	587710869	/nfs/dbraw/zinc/71/08/69/587710869.db2.gz	CDOWDGURIDPEAE-JTQLQIEISA-N	0	1	240.303	0.773	20	30		BCEDMN
C=CC[N@@H+](CN1C[C@@H](C(=O)[O-])CC1=O)C(C)C	ZINC000833374201	587710870	/nfs/dbraw/zinc/71/08/70/587710870.db2.gz	CDOWDGURIDPEAE-JTQLQIEISA-N	0	1	240.303	0.773	20	30		BCEDMN
C[C@](O)(C[N@@H+](CCC#N)CC1CC1)C(=O)[O-]	ZINC000833524644	587718858	/nfs/dbraw/zinc/71/88/58/587718858.db2.gz	KRXMSIYSSBEQEE-NSHDSACASA-N	0	1	226.276	0.448	20	30		BCEDMN
C#CC[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000833787519	587731777	/nfs/dbraw/zinc/73/17/77/587731777.db2.gz	RTSKKJFYWRKXCY-JTQLQIEISA-N	0	1	208.261	0.836	20	30		BCEDMN
C#CC[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](CC)C1	ZINC000833787729	587731874	/nfs/dbraw/zinc/73/18/74/587731874.db2.gz	ZAJZPVOBJFLYES-UWVGGRQHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](CC)C1	ZINC000833787728	587732022	/nfs/dbraw/zinc/73/20/22/587732022.db2.gz	ZAJZPVOBJFLYES-NXEZZACHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CCC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787645	587732109	/nfs/dbraw/zinc/73/21/09/587732109.db2.gz	WOPQWCHURDYUHI-UWVGGRQHSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#CCC[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787645	587732110	/nfs/dbraw/zinc/73/21/10/587732110.db2.gz	WOPQWCHURDYUHI-UWVGGRQHSA-N	0	1	226.276	0.367	20	30		BCEDMN
C[C@]1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1(F)F	ZINC000834485652	587755599	/nfs/dbraw/zinc/75/55/99/587755599.db2.gz	ZTWCGJPESZPXOU-ZXFLCMHBSA-N	0	1	229.230	0.259	20	30		BCEDMN
CCO[C@H](CC)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834500164	587755777	/nfs/dbraw/zinc/75/57/77/587755777.db2.gz	QOFFOHVFGQQFIN-LPEHRKFASA-N	0	1	225.292	0.029	20	30		BCEDMN
C=CCC(CC=C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834479358	587756127	/nfs/dbraw/zinc/75/61/27/587756127.db2.gz	DJFMJCWMPKVWAO-NWDGAFQWSA-N	0	1	233.315	0.983	20	30		BCEDMN
C=CCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834480182	587756214	/nfs/dbraw/zinc/75/62/14/587756214.db2.gz	MGWPUXBHKKPRON-ZJUUUORDSA-N	0	1	207.277	0.570	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(F)c1	ZINC000834479219	587756221	/nfs/dbraw/zinc/75/62/21/587756221.db2.gz	BFAVLCOLWGCAEZ-JOYOIKCWSA-N	0	1	247.273	0.976	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C(F)(F)F	ZINC000834479575	587756306	/nfs/dbraw/zinc/75/63/06/587756306.db2.gz	GGCMCORXDUXTSZ-DSYKOEDSSA-N	0	1	235.209	0.413	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCC1CCC1	ZINC000834480728	587756456	/nfs/dbraw/zinc/75/64/56/587756456.db2.gz	VJKNORPEBZJBCI-MNOVXSKESA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC12CC2	ZINC000834485246	587756549	/nfs/dbraw/zinc/75/65/49/587756549.db2.gz	UCFJRBMUOSQJTC-HLTSFMKQSA-N	0	1	205.261	0.014	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1N	ZINC000834485386	587756686	/nfs/dbraw/zinc/75/66/86/587756686.db2.gz	VXSUVCKPBUOAOP-PWSUYJOCSA-N	0	1	244.298	0.419	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1N	ZINC000834485120	587756778	/nfs/dbraw/zinc/75/67/78/587756778.db2.gz	RYDCECDVEJYNNH-CMPLNLGQSA-N	0	1	244.298	0.419	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1N	ZINC000834485387	587756861	/nfs/dbraw/zinc/75/68/61/587756861.db2.gz	VXSUVCKPBUOAOP-ZYHUDNBSSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CC1CCOCC1	ZINC000834489753	587756882	/nfs/dbraw/zinc/75/68/82/587756882.db2.gz	PCIYUXHAZGCYGE-WDEREUQCSA-N	0	1	237.303	0.031	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)on1	ZINC000834489754	587756952	/nfs/dbraw/zinc/75/69/52/587756952.db2.gz	PDGQBHUVRCIZLA-PSASIEDQSA-N	0	1	248.286	0.639	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)COC1CCCC1	ZINC000834490062	587757108	/nfs/dbraw/zinc/75/71/08/587757108.db2.gz	RDENMTONVBBKGC-MWLCHTKSSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccccc1O	ZINC000834493380	587757246	/nfs/dbraw/zinc/75/72/46/587757246.db2.gz	DEJWDCIHVVIZQE-WDEREUQCSA-N	0	1	245.282	0.162	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1c[nH]nc1C1CC1	ZINC000834499138	587757420	/nfs/dbraw/zinc/75/74/20/587757420.db2.gz	FDGVKEBPXOQYQB-SCZZXKLOSA-N	0	1	245.286	0.128	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1ccsc1	ZINC000834499393	587757458	/nfs/dbraw/zinc/75/74/58/587757458.db2.gz	IALPUWLWZQAZIK-OIDVMBJGSA-N	0	1	247.323	0.989	20	30		BCEDMN
C[C@H](CC(=O)N[C@@H]1CNC[C@@H]1C#N)C1CC1	ZINC000834495424	587757543	/nfs/dbraw/zinc/75/75/43/587757543.db2.gz	VMHHAAKSQSRSMT-DVVUODLYSA-N	0	1	221.304	0.650	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccccc1	ZINC000834506276	587757742	/nfs/dbraw/zinc/75/77/42/587757742.db2.gz	RMIDSDUKFMEQNP-GHMZBOCLSA-N	0	1	215.256	0.528	20	30		BCEDMN
C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)O1	ZINC000834504405	587757744	/nfs/dbraw/zinc/75/77/44/587757744.db2.gz	AULNCEMGVKNEPD-OGBGREFGSA-N	0	1	237.303	0.028	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)COc1ccccc1	ZINC000834505373	587757853	/nfs/dbraw/zinc/75/78/53/587757853.db2.gz	KDSXSAZJSSUTHB-PWSUYJOCSA-N	0	1	245.282	0.293	20	30		BCEDMN
CC(C)OCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834500658	587757931	/nfs/dbraw/zinc/75/79/31/587757931.db2.gz	VRJXDXXQYYCTNX-GHMZBOCLSA-N	0	1	239.319	0.419	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(Cl)c[nH]1	ZINC000834510436	587758061	/nfs/dbraw/zinc/75/80/61/587758061.db2.gz	AVOKJXNZJGJFFW-HZGVNTEJSA-N	0	1	238.678	0.509	20	30		BCEDMN
Cc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834511304	587758095	/nfs/dbraw/zinc/75/80/95/587758095.db2.gz	KIRFBTAWDJBMDF-JQWIXIFHSA-N	0	1	229.283	0.836	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(F)cc1	ZINC000834510336	587758100	/nfs/dbraw/zinc/75/81/00/587758100.db2.gz	AHSDYRRUXCOREO-PWSUYJOCSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)o1	ZINC000834512036	587758224	/nfs/dbraw/zinc/75/82/24/587758224.db2.gz	RDXBOBHOOYBPFM-ONGXEEELSA-N	0	1	233.271	0.738	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccccc1F	ZINC000834507250	587758305	/nfs/dbraw/zinc/75/83/05/587758305.db2.gz	ZAXSMUIMTHZQPC-LDYMZIIASA-N	0	1	233.246	0.667	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccccc1F	ZINC000834512064	587758329	/nfs/dbraw/zinc/75/83/29/587758329.db2.gz	RJPBGQAJWRTJFZ-ZYHUDNBSSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1ccoc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834510494	587758346	/nfs/dbraw/zinc/75/83/46/587758346.db2.gz	BPUYIOSUMSPXMC-RKDXNWHRSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1ccsc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834506695	587758362	/nfs/dbraw/zinc/75/83/62/587758362.db2.gz	VGHLYIKPYVNJRA-DTWKUNHWSA-N	0	1	235.312	0.898	20	30		BCEDMN
Cc1occc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834512050	587758378	/nfs/dbraw/zinc/75/83/78/587758378.db2.gz	RIIQMJJTRXWEIO-SCZZXKLOSA-N	0	1	219.244	0.429	20	30		BCEDMN
COc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834506684	587758402	/nfs/dbraw/zinc/75/84/02/587758402.db2.gz	UZVRZPCAELMRSB-MWLCHTKSSA-N	0	1	245.282	0.537	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)n1	ZINC000834517615	587758416	/nfs/dbraw/zinc/75/84/16/587758416.db2.gz	XPOVBUYXSXPGFU-MWLCHTKSSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCCCSCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834517180	587758512	/nfs/dbraw/zinc/75/85/12/587758512.db2.gz	RMBYLBWDJNSIAR-ZJUUUORDSA-N	0	1	241.360	0.747	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cn1	ZINC000834516765	587758534	/nfs/dbraw/zinc/75/85/34/587758534.db2.gz	LTRXROHQLIPYEJ-MNOVXSKESA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)n1	ZINC000834517613	587758599	/nfs/dbraw/zinc/75/85/99/587758599.db2.gz	XPOVBUYXSXPGFU-GXSJLCMTSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCCCSCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834517178	587758611	/nfs/dbraw/zinc/75/86/11/587758611.db2.gz	RMBYLBWDJNSIAR-UWVGGRQHSA-N	0	1	241.360	0.747	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cn1	ZINC000834516766	587758613	/nfs/dbraw/zinc/75/86/13/587758613.db2.gz	LTRXROHQLIPYEJ-QWRGUYRKSA-N	0	1	230.271	0.231	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccsc1	ZINC000834512295	587758651	/nfs/dbraw/zinc/75/86/51/587758651.db2.gz	UPJOPMAATNSECA-NXEZZACHSA-N	0	1	235.312	0.518	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCc3cccc(O)c32)N1	ZINC000834968840	587774021	/nfs/dbraw/zinc/77/40/21/587774021.db2.gz	ASIKHFTXAQCIBK-MRVPVSSYSA-N	0	1	244.298	0.980	20	30		BCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)c1ncc[nH]1	ZINC000867196534	587840908	/nfs/dbraw/zinc/84/09/08/587840908.db2.gz	BSJMGWWAJHEFMH-SSDOTTSWSA-N	0	1	213.262	0.052	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NO[C@H](CO)C(C)C	ZINC000836887844	587841294	/nfs/dbraw/zinc/84/12/94/587841294.db2.gz	GVKJIXXKOXPYMV-OUAUKWLOSA-N	0	1	243.303	0.642	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)OCc1n[nH]c(CC)n1	ZINC000837841294	587899502	/nfs/dbraw/zinc/89/95/02/587899502.db2.gz	FCMAGPQGKOCJLM-QMMMGPOBSA-N	0	1	237.259	0.449	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1	ZINC000840580396	587912311	/nfs/dbraw/zinc/91/23/11/587912311.db2.gz	UBAKZAAZMFSNPL-SFYZADRCSA-N	0	1	237.259	0.756	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)C[C@@H]1CC	ZINC000840761096	587920650	/nfs/dbraw/zinc/92/06/50/587920650.db2.gz	QBROZWWEZPBHPH-JTQLQIEISA-N	0	1	225.361	0.520	20	30		BCEDMN
Cc1ccnc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000841183692	587948480	/nfs/dbraw/zinc/94/84/80/587948480.db2.gz	WUZVNJWGHOZZTC-NXEZZACHSA-N	0	1	245.286	0.623	20	30		BCEDMN
CC(C)(C)NC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000841507138	587956751	/nfs/dbraw/zinc/95/67/51/587956751.db2.gz	VTFVNMROLXKJJY-YUMQZZPRSA-N	0	1	210.281	0.196	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(F)cc1O	ZINC000841658559	587969020	/nfs/dbraw/zinc/96/90/20/587969020.db2.gz	FTAAAJNXCFECOV-UHFFFAOYSA-N	0	1	236.250	0.804	20	30		BCEDMN
Oc1ccc2c(c1)CCCC2=NNC1=NCCN1	ZINC000841660453	587969342	/nfs/dbraw/zinc/96/93/42/587969342.db2.gz	YJAFXOJLSSKBJP-UHFFFAOYSA-N	0	1	244.298	0.981	20	30		BCEDMN
COc1cc(C(C)=NNC2=NCCN2)ccn1	ZINC000841660118	587969385	/nfs/dbraw/zinc/96/93/85/587969385.db2.gz	FLHUDVWCAWZRIB-UHFFFAOYSA-N	0	1	233.275	0.363	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)cc(C)c1O	ZINC000841660046	587969398	/nfs/dbraw/zinc/96/93/98/587969398.db2.gz	CHSWJPDHXJGXQE-UHFFFAOYSA-N	0	1	232.287	0.892	20	30		BCEDMN
C[C@H]1CC(N=NC2=NCCN2)CN1C1CC1	ZINC000841661322	587970365	/nfs/dbraw/zinc/97/03/65/587970365.db2.gz	NYIFTOJQCMFHOK-QMMMGPOBSA-N	0	1	221.308	0.148	20	30		BCEDMN
C=CCNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C	ZINC000842170821	588006047	/nfs/dbraw/zinc/00/60/47/588006047.db2.gz	CVTLSROURIUCQD-GHMZBOCLSA-N	0	1	241.335	0.269	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1(F)CC1	ZINC000842682038	588052163	/nfs/dbraw/zinc/05/21/63/588052163.db2.gz	YDVGVXRRRKTGFI-QMMMGPOBSA-N	0	1	242.250	0.350	20	30		BCEDMN
C=C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC	ZINC000842981826	588074264	/nfs/dbraw/zinc/07/42/64/588074264.db2.gz	XVXXBOCMBWBBMB-PRJMDXOYSA-N	0	1	243.215	0.313	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)[nH]1	ZINC000843459116	588111820	/nfs/dbraw/zinc/11/18/20/588111820.db2.gz	BVQCMWRBRLXKMA-ONGXEEELSA-N	0	1	232.287	0.473	20	30		BCEDMN
Cc1[nH]ccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843461517	588112299	/nfs/dbraw/zinc/11/22/99/588112299.db2.gz	VEWJFFOBILECKB-PSASIEDQSA-N	0	1	218.260	0.165	20	30		BCEDMN
Cc1[nH]ccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000843461525	588112474	/nfs/dbraw/zinc/11/24/74/588112474.db2.gz	VEWJFFOBILECKB-WPRPVWTQSA-N	0	1	218.260	0.165	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccn1	ZINC000843461483	588112506	/nfs/dbraw/zinc/11/25/06/588112506.db2.gz	VDKOJGDDUPBGPE-HOSYDEDBSA-N	0	1	244.298	0.413	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)s1	ZINC000843461038	588112780	/nfs/dbraw/zinc/11/27/80/588112780.db2.gz	JIRTVGSFZXCTEF-ONGXEEELSA-N	0	1	249.339	0.827	20	30		BCEDMN
Cc1c[nH]cc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000843464227	588113144	/nfs/dbraw/zinc/11/31/44/588113144.db2.gz	ZXVXOBMFOKVZRW-SCZZXKLOSA-N	0	1	218.260	0.165	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1cccs1	ZINC000843463372	588113238	/nfs/dbraw/zinc/11/32/38/588113238.db2.gz	WGQCBGZODBPIPH-SCZZXKLOSA-N	0	1	235.312	0.518	20	30		BCEDMN
C#CC1CCN(C(=O)c2[nH]nnc2C)CC1	ZINC000844047253	588158049	/nfs/dbraw/zinc/15/80/49/588158049.db2.gz	NRNGBQFBESZSOF-UHFFFAOYSA-N	0	1	218.260	0.599	20	30		BCEDMN
C[C@@H](CCC#N)N1CCCN(C=O)CC1	ZINC000844334280	588185658	/nfs/dbraw/zinc/18/56/58/588185658.db2.gz	WRAOALWBOWILRL-NSHDSACASA-N	0	1	209.293	0.843	20	30		BCEDMN
C#CCNCC(=O)N1CCc2ccccc2C1	ZINC000105861297	588226830	/nfs/dbraw/zinc/22/68/30/588226830.db2.gz	PGQLFSDANKBLFC-UHFFFAOYSA-N	0	1	228.295	0.794	20	30		BCEDMN
C=C(C)CONC(=O)C1CN(CC(F)F)C1	ZINC000846535314	588271019	/nfs/dbraw/zinc/27/10/19/588271019.db2.gz	XRWJEUFUIVDZAB-UHFFFAOYSA-N	0	1	234.246	0.807	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@H]1C[N@H+]2CCN1CCC2	ZINC000846536753	588271672	/nfs/dbraw/zinc/27/16/72/588271672.db2.gz	YWNYDJOIJBBBCB-LLVKDONJSA-N	0	1	239.319	0.000	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCC(=C)C	ZINC000846539506	588272647	/nfs/dbraw/zinc/27/26/47/588272647.db2.gz	YISXNJHNQUIWFF-NSHDSACASA-N	0	1	222.288	0.708	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[N@H+](C)CCC	ZINC000846545472	588274016	/nfs/dbraw/zinc/27/40/16/588274016.db2.gz	OMXDLBTZGGHERQ-SECBINFHSA-N	0	1	200.282	0.951	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1ccn(C)n1	ZINC000846550797	588275364	/nfs/dbraw/zinc/27/53/64/588275364.db2.gz	UJNFQLOWTIFWQS-QMMMGPOBSA-N	0	1	209.249	0.585	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1ccn(C)n1	ZINC000846550796	588275390	/nfs/dbraw/zinc/27/53/90/588275390.db2.gz	UJNFQLOWTIFWQS-MRVPVSSYSA-N	0	1	209.249	0.585	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1[nH]cnc1C	ZINC000846553636	588276296	/nfs/dbraw/zinc/27/62/96/588276296.db2.gz	FGAICPWSAWHEBM-ZETCQYMHSA-N	0	1	209.249	0.883	20	30		BCEDMN
C=C[C@H](C)ONC(=O)C1CN(C(C)=O)C1	ZINC000846556034	588277250	/nfs/dbraw/zinc/27/72/50/588277250.db2.gz	XESIDCUPCJPFPA-ZETCQYMHSA-N	0	1	212.249	0.087	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000846676338	588282035	/nfs/dbraw/zinc/28/20/35/588282035.db2.gz	CRVYPBRFPVBNRG-YFKTTZPYSA-N	0	1	233.315	0.650	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000846676337	588282046	/nfs/dbraw/zinc/28/20/46/588282046.db2.gz	CRVYPBRFPVBNRG-WRWGMCAJSA-N	0	1	233.315	0.650	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1O	ZINC000846678100	588282212	/nfs/dbraw/zinc/28/22/12/588282212.db2.gz	QWULOCGOSDKXEM-MNOVXSKESA-N	0	1	245.282	0.542	20	30		BCEDMN
N#Cc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000846679179	588282294	/nfs/dbraw/zinc/28/22/94/588282294.db2.gz	YQBWOINGJUEGOO-VXGBXAGGSA-N	0	1	240.266	0.400	20	30		BCEDMN
N#Cc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000846679177	588282439	/nfs/dbraw/zinc/28/24/39/588282439.db2.gz	YQBWOINGJUEGOO-NWDGAFQWSA-N	0	1	240.266	0.400	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@H]1CN(CC)C(=O)O1	ZINC000846880087	588293063	/nfs/dbraw/zinc/29/30/63/588293063.db2.gz	SNQUEASAZRAHMN-ZJUUUORDSA-N	0	1	210.277	0.781	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](CO)C2CC2)nn1	ZINC000846854866	588293267	/nfs/dbraw/zinc/29/32/67/588293267.db2.gz	NIHMVDLGSDUDMJ-LBPRGKRZSA-N	0	1	236.319	0.715	20	30		BCEDMN
C=CCN(CCOC)C[C@@H]1CN(CC)C(=O)O1	ZINC000846874271	588294039	/nfs/dbraw/zinc/29/40/39/588294039.db2.gz	YAIWBCSPMOOCSH-LLVKDONJSA-N	0	1	242.319	0.962	20	30		BCEDMN
C#CCCN1CCN(c2ncc[nH]2)CC1	ZINC000846875476	588295037	/nfs/dbraw/zinc/29/50/37/588295037.db2.gz	IBDASFKSVHBLGT-UHFFFAOYSA-N	0	1	204.277	0.555	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NCCOCC)C1	ZINC000847024513	588303967	/nfs/dbraw/zinc/30/39/67/588303967.db2.gz	JQYNBZNJBDXKHP-LBPRGKRZSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)C(C)C	ZINC000847113134	588306546	/nfs/dbraw/zinc/30/65/46/588306546.db2.gz	CWJHHFRLPTVONR-NXEZZACHSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000847176145	588308578	/nfs/dbraw/zinc/30/85/78/588308578.db2.gz	ARXZTINWVGVGEY-JTQLQIEISA-N	0	1	242.282	0.500	20	30		BCEDMN
C#CCSCCNC(=O)CN1CC[C@H](C)C1	ZINC000847516111	588315115	/nfs/dbraw/zinc/31/51/15/588315115.db2.gz	HQPQCVARSJEARG-NSHDSACASA-N	0	1	240.372	0.811	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000848246276	588367007	/nfs/dbraw/zinc/36/70/07/588367007.db2.gz	YDFGRCBGJYXGGG-NXEZZACHSA-N	0	1	212.293	0.951	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000848246279	588367406	/nfs/dbraw/zinc/36/74/06/588367406.db2.gz	YDFGRCBGJYXGGG-ZJUUUORDSA-N	0	1	212.293	0.951	20	30		BCEDMN
C#CC(=O)N1CCN(C(C)(C)CC)CC1	ZINC000848302214	588371931	/nfs/dbraw/zinc/37/19/31/588371931.db2.gz	SPAQERFYUFOMHV-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
NC(=O)CNN=C1CCCN2CCCC[C@@H]12	ZINC000848407635	588378432	/nfs/dbraw/zinc/37/84/32/588378432.db2.gz	AUIBUMDIURLJEK-JTQLQIEISA-N	0	1	224.308	0.066	20	30		BCEDMN
C[C@H](CO)NN=C1CCCN2CCCC[C@H]12	ZINC000848406561	588378576	/nfs/dbraw/zinc/37/85/76/588378576.db2.gz	GYXSJODRYYYUIH-ZYHUDNBSSA-N	0	1	225.336	0.961	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cc3n(n2)CCCC3)N1	ZINC000848408763	588379183	/nfs/dbraw/zinc/37/91/83/588379183.db2.gz	ZCACPXMJQZHWNH-SECBINFHSA-N	0	1	246.318	0.491	20	30		BCEDMN
OCCNN=C1CCCN2CCCC[C@H]12	ZINC000848410510	588380009	/nfs/dbraw/zinc/38/00/09/588380009.db2.gz	QAFKRHRFCLZJJV-LLVKDONJSA-N	0	1	211.309	0.573	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(Cl)n1C	ZINC000850410423	588544488	/nfs/dbraw/zinc/54/44/88/588544488.db2.gz	MJKRHYCILWORHV-SSDOTTSWSA-N	0	1	215.684	0.710	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850825512	588569617	/nfs/dbraw/zinc/56/96/17/588569617.db2.gz	AKFAPUUFOVYFLE-NDBYEHHHSA-N	0	1	249.310	0.520	20	30		BCEDMN
C#CCOCCN1CCC[C@H]1C(=O)N(C)C	ZINC000851721259	588617413	/nfs/dbraw/zinc/61/74/13/588617413.db2.gz	FZJDBIQILQAKNA-NSHDSACASA-N	0	1	224.304	0.189	20	30		BCEDMN
C#CCOCCN(CCCC)CC(N)=O	ZINC000851727971	588618320	/nfs/dbraw/zinc/61/83/20/588618320.db2.gz	CGPJBWPEWALMTL-UHFFFAOYSA-N	0	1	212.293	0.224	20	30		BCEDMN
C#CCOCCN1CC[C@](O)(C(F)(F)F)C1	ZINC000851803162	588631223	/nfs/dbraw/zinc/63/12/23/588631223.db2.gz	DUEGZVYVBTYBDF-SECBINFHSA-N	0	1	237.221	0.635	20	30		BCEDMN
C#CCOCCN1CCOC[C@H]1C1CC1	ZINC000851878668	588638806	/nfs/dbraw/zinc/63/88/06/588638806.db2.gz	FHFOELZOBSGNOI-LBPRGKRZSA-N	0	1	209.289	0.747	20	30		BCEDMN
C#CCOCCN(C)[C@H](C)C[S@@](C)=O	ZINC000851922249	588643977	/nfs/dbraw/zinc/64/39/77/588643977.db2.gz	FMHUBDZEHKJCFL-QMTHXVAHSA-N	0	1	217.334	0.335	20	30		BCEDMN
C#CCOCCN1CCCC[C@]1(C)C(N)=O	ZINC000851933857	588645502	/nfs/dbraw/zinc/64/55/02/588645502.db2.gz	BNTBTFQPEDYKAX-GFCCVEGCSA-N	0	1	224.304	0.366	20	30		BCEDMN
C#C[C@H](NC[C@H]1CCC(=O)O1)[C@@H]1CCCO1	ZINC000851949812	588646979	/nfs/dbraw/zinc/64/69/79/588646979.db2.gz	JQBKAICICCQVRK-VWYCJHECSA-N	0	1	223.272	0.462	20	30		BCEDMN
C#CCOCCN1CCc2n[nH]c(=O)cc2C1	ZINC000851949769	588647051	/nfs/dbraw/zinc/64/70/51/588647051.db2.gz	IXXMBDZTUAOXHN-UHFFFAOYSA-N	0	1	233.271	0.190	20	30		BCEDMN
C#CCOCCN1C[C@H](C)O[C@]2(CCOC2)C1	ZINC000852001040	588653729	/nfs/dbraw/zinc/65/37/29/588653729.db2.gz	DBBACWVWWVEBBX-QWHCGFSZSA-N	0	1	239.315	0.516	20	30		BCEDMN
CC#CCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852094450	588661397	/nfs/dbraw/zinc/66/13/97/588661397.db2.gz	LNOBDADMAGAMJR-CQSZACIVSA-N	0	1	246.310	0.315	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)N(C)CC1CN(C)C1	ZINC000852274527	588675324	/nfs/dbraw/zinc/67/53/24/588675324.db2.gz	COJRZAUUALTLID-GFCCVEGCSA-N	0	1	237.347	0.991	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N(C)CC1CN(C)C1	ZINC000852276852	588675576	/nfs/dbraw/zinc/67/55/76/588675576.db2.gz	DWZHXOYKOYEVAP-NSHDSACASA-N	0	1	223.320	0.601	20	30		BCEDMN
N#CCCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852433133	588682461	/nfs/dbraw/zinc/68/24/61/588682461.db2.gz	SQEQQHIJFYQZFF-JTQLQIEISA-N	0	1	223.276	0.817	20	30		BCEDMN
C#CCNC(=O)CC[N@H+](CCF)CCOC	ZINC000852479642	588683227	/nfs/dbraw/zinc/68/32/27/588683227.db2.gz	HWHCPGLMIDWWGR-UHFFFAOYSA-N	0	1	230.283	0.044	20	30		BCEDMN
C#CCNC(=O)CCN(CCF)CCOC	ZINC000852479642	588683228	/nfs/dbraw/zinc/68/32/28/588683228.db2.gz	HWHCPGLMIDWWGR-UHFFFAOYSA-N	0	1	230.283	0.044	20	30		BCEDMN
C=CC[N@H+](CCS(N)(=O)=O)C(C)(C)C	ZINC000852554571	588689675	/nfs/dbraw/zinc/68/96/75/588689675.db2.gz	RRFSGBZBTBOGOD-UHFFFAOYSA-N	0	1	220.338	0.561	20	30		BCEDMN
C=CCN(CCS(N)(=O)=O)C(C)(C)C	ZINC000852554571	588689676	/nfs/dbraw/zinc/68/96/76/588689676.db2.gz	RRFSGBZBTBOGOD-UHFFFAOYSA-N	0	1	220.338	0.561	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@@H]2C[C@@H]2C1	ZINC000852633690	588693347	/nfs/dbraw/zinc/69/33/47/588693347.db2.gz	CROKYYTXDYZUNX-NXEZZACHSA-N	0	1	207.277	0.358	20	30		BCEDMN
CO[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C1CCC1	ZINC000852827094	588706118	/nfs/dbraw/zinc/70/61/18/588706118.db2.gz	BINACFSNFLRUOL-AXFHLTTASA-N	0	1	237.303	0.029	20	30		BCEDMN
C/C(=C/C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccco1	ZINC000852827152	588706266	/nfs/dbraw/zinc/70/62/66/588706266.db2.gz	CEJBOEYEZTZSKI-XFDQCWFDSA-N	0	1	245.282	0.911	20	30		BCEDMN
C[C@H](Cc1ccco1)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852827526	588706397	/nfs/dbraw/zinc/70/63/97/588706397.db2.gz	KBHGPZXLKMLJFG-JFGNBEQYSA-N	0	1	247.298	0.686	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000852827583	588706462	/nfs/dbraw/zinc/70/64/62/588706462.db2.gz	LKRQYRAIFAAHSE-ZKKRXERASA-N	0	1	219.288	0.260	20	30		BCEDMN
CSC(C)(C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852875158	588710111	/nfs/dbraw/zinc/71/01/11/588710111.db2.gz	FWJHGPYDKSXASN-JGVFFNPUSA-N	0	1	227.333	0.356	20	30		BCEDMN
C#CCCCCNC(=O)NC[C@H]1COCCN1	ZINC000861609743	589170344	/nfs/dbraw/zinc/17/03/44/589170344.db2.gz	PBXWMIZVCJQSHE-NSHDSACASA-N	0	1	239.319	0.078	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NC[C@H]1COCCN1	ZINC000861683856	589174527	/nfs/dbraw/zinc/17/45/27/589174527.db2.gz	BVFPNRUVWFPBHL-MNOVXSKESA-N	0	1	239.319	0.076	20	30		BCEDMN
C=C(CN(C)C)C(=O)NCC(=O)C1CCCC1	ZINC000863057859	589252947	/nfs/dbraw/zinc/25/29/47/589252947.db2.gz	HUIAPCQKDBSVAR-UHFFFAOYSA-N	0	1	238.331	0.980	20	30		BCEDMN
COc1ccnc(C(C)=NNC2=NC[C@H](C)N2)c1	ZINC000863104840	589256409	/nfs/dbraw/zinc/25/64/09/589256409.db2.gz	FVAWHDNKJFUVKA-QMMMGPOBSA-N	0	1	247.302	0.752	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@@H](C)N2)ccn1	ZINC000863105672	589256728	/nfs/dbraw/zinc/25/67/28/589256728.db2.gz	XHQWIWKEOIJKHW-SECBINFHSA-N	0	1	217.276	0.661	20	30		BCEDMN
Cc1cnccc1NN=C1C(=O)OC[C@H]1C	ZINC000863158349	589263805	/nfs/dbraw/zinc/26/38/05/589263805.db2.gz	YIKOFXOIVPKUDR-MRVPVSSYSA-N	0	1	219.244	0.773	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000863779504	589316853	/nfs/dbraw/zinc/31/68/53/589316853.db2.gz	OSJIMEFRNGBLDS-OPRDCNLKSA-N	0	1	240.259	0.196	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)Cc1cc(C)n[nH]1	ZINC000863785821	589318263	/nfs/dbraw/zinc/31/82/63/589318263.db2.gz	NXOBEKWMPOZPOB-LLVKDONJSA-N	0	1	249.314	0.805	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)CN(CC)C1CC1	ZINC000863803601	589319889	/nfs/dbraw/zinc/31/98/89/589319889.db2.gz	SPASZXMRNZUEQM-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000863807005	589320691	/nfs/dbraw/zinc/32/06/91/589320691.db2.gz	WKLFYWSGCAGNBX-MNOVXSKESA-N	0	1	249.314	0.743	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)C[N@H+](C)C1CCC1	ZINC000863926351	589326784	/nfs/dbraw/zinc/32/67/84/589326784.db2.gz	WRCCFJWXLXIFOP-LLVKDONJSA-N	0	1	236.315	0.331	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864413610	589360165	/nfs/dbraw/zinc/36/01/65/589360165.db2.gz	QVZGFOKLWMIHQW-SNVBAGLBSA-N	0	1	221.260	0.644	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000865081947	589407771	/nfs/dbraw/zinc/40/77/71/589407771.db2.gz	NPRKGCXSIARYGF-JTQLQIEISA-N	0	1	236.275	0.594	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000865164455	589412357	/nfs/dbraw/zinc/41/23/57/589412357.db2.gz	FMKWRRSXVSGBNR-CBAPKCEASA-N	0	1	222.248	0.204	20	30		BCEDMN
C#CCNC(=O)N1CCNC[C@@H]1C(C)C	ZINC000865343498	589422857	/nfs/dbraw/zinc/42/28/57/589422857.db2.gz	LAFPDQDEWDASRC-SNVBAGLBSA-N	0	1	209.293	0.259	20	30		BCEDMN
C#C[C@H](CO)Nc1ccncc1C(F)(F)F	ZINC000865850396	589464937	/nfs/dbraw/zinc/46/49/37/589464937.db2.gz	XQLPPOPLSOZBOQ-SSDOTTSWSA-N	0	1	230.189	0.928	20	30		BCEDMN
N#CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CCCC1	ZINC000865985189	589471299	/nfs/dbraw/zinc/47/12/99/589471299.db2.gz	LWAFXURKADQAEO-LLVKDONJSA-N	0	1	248.286	0.738	20	30		BCEDMN
C#CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CCCC1	ZINC000866511116	589498513	/nfs/dbraw/zinc/49/85/13/589498513.db2.gz	MXEFACOFWSTBLT-GFCCVEGCSA-N	0	1	247.298	0.848	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)Cc1nnc[nH]1	ZINC000867762254	589533366	/nfs/dbraw/zinc/53/33/66/589533366.db2.gz	ZTGJJTNHRZLZIX-MRVPVSSYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CCc1c[nH]nn1	ZINC000867771676	589533682	/nfs/dbraw/zinc/53/36/82/589533682.db2.gz	CMWBOMRIQLCXQW-QMMMGPOBSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CCc1cnn[nH]1	ZINC000867771676	589533683	/nfs/dbraw/zinc/53/36/83/589533683.db2.gz	CMWBOMRIQLCXQW-QMMMGPOBSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#CC1CCN(C(=O)CCc2c[nH]nn2)CC1	ZINC000869083598	589586105	/nfs/dbraw/zinc/58/61/05/589586105.db2.gz	OBENZTIVBNJRBZ-UHFFFAOYSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CC1CCN(C(=O)CCc2cnn[nH]2)CC1	ZINC000869083598	589586107	/nfs/dbraw/zinc/58/61/07/589586107.db2.gz	OBENZTIVBNJRBZ-UHFFFAOYSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869393601	589602983	/nfs/dbraw/zinc/60/29/83/589602983.db2.gz	OCZLKOJDRBYGGT-KOLCDFICSA-N	0	1	233.271	0.315	20	30		BCEDMN
C=C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C(=O)OC	ZINC000870532536	589671849	/nfs/dbraw/zinc/67/18/49/589671849.db2.gz	WTGUTMRBNMDZON-UWVGGRQHSA-N	0	1	243.303	0.843	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000870672085	589682412	/nfs/dbraw/zinc/68/24/12/589682412.db2.gz	VEPWBJSCASSJDJ-DTWKUNHWSA-N	0	1	233.275	0.877	20	30		BCEDMN
Cc1cnc(F)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000870941628	589699659	/nfs/dbraw/zinc/69/96/59/589699659.db2.gz	XEZWTAAHHVVUJU-PSASIEDQSA-N	0	1	248.261	0.371	20	30		BCEDMN
C#CCOCCN(C)[C@H]1CCCCN(C)C1=O	ZINC000872266328	589903138	/nfs/dbraw/zinc/90/31/38/589903138.db2.gz	UROXUVWKROXUJK-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C[C@@H]1C(N=Nc2nccn(C)c2=O)CCN1C	ZINC000872355345	589916868	/nfs/dbraw/zinc/91/68/68/589916868.db2.gz	TWVHLXBNCPGFDP-MRVPVSSYSA-N	0	1	235.291	0.272	20	30		BCEDMN
C[C@H]1C(N=Nc2ccc(C(N)=O)nn2)CCN1C	ZINC000872356230	589917379	/nfs/dbraw/zinc/91/73/79/589917379.db2.gz	FYVUNFDIOBYCFT-ZETCQYMHSA-N	0	1	248.290	0.067	20	30		BCEDMN
NC(=O)CON=C1CCC[N@H+]2CCSC[C@@H]12	ZINC000872362062	589919503	/nfs/dbraw/zinc/91/95/03/589919503.db2.gz	CECBFTIQWHWFNI-VIFPVBQESA-N	0	1	243.332	0.056	20	30		BCEDMN
NC(=O)CON=C1CCCN2CCSC[C@@H]12	ZINC000872362062	589919504	/nfs/dbraw/zinc/91/95/04/589919504.db2.gz	CECBFTIQWHWFNI-VIFPVBQESA-N	0	1	243.332	0.056	20	30		BCEDMN
COc1nscc1C=NNC1=NC[C@H](C)N1	ZINC000872364784	589920835	/nfs/dbraw/zinc/92/08/35/589920835.db2.gz	UEGOPKRZYLSOEZ-LURJTMIESA-N	0	1	239.304	0.423	20	30		BCEDMN
CC[C@@H](O)CNN=Cc1c(C)ccnc1N	ZINC000872375315	589924965	/nfs/dbraw/zinc/92/49/65/589924965.db2.gz	YZESQWHQVASLPO-SECBINFHSA-N	0	1	222.292	0.667	20	30		BCEDMN
C(=NNC1=NCCN1)c1cn(C2CC2)cn1	ZINC000872385213	589929165	/nfs/dbraw/zinc/92/91/65/589929165.db2.gz	BFEQEIDRAMVGRI-UHFFFAOYSA-N	0	1	218.264	0.101	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)CN1CCCC1	ZINC000874262843	590100620	/nfs/dbraw/zinc/10/06/20/590100620.db2.gz	MBNFUYSKRZQDCW-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)CN1CCCC1	ZINC000874357867	590105665	/nfs/dbraw/zinc/10/56/65/590105665.db2.gz	GOIWXHIFSAKFBS-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
N#CCCCCNC(=O)CN1CCCC1	ZINC000874371239	590106404	/nfs/dbraw/zinc/10/64/04/590106404.db2.gz	PMORHMNAQRJJNX-UHFFFAOYSA-N	0	1	209.293	0.892	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1	ZINC000874447381	590110982	/nfs/dbraw/zinc/11/09/82/590110982.db2.gz	BSNDVFJFZJSYFR-OPRDCNLKSA-N	0	1	230.271	0.932	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)c2ncn[nH]2)CC1	ZINC000874861619	590149754	/nfs/dbraw/zinc/14/97/54/590149754.db2.gz	RKGXQBHGZJLYRG-KYZUINATSA-N	0	1	218.260	0.727	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)c2nc[nH]n2)CC1	ZINC000874861619	590149755	/nfs/dbraw/zinc/14/97/55/590149755.db2.gz	RKGXQBHGZJLYRG-KYZUINATSA-N	0	1	218.260	0.727	20	30		BCEDMN
CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21	ZINC000876599254	590220140	/nfs/dbraw/zinc/22/01/40/590220140.db2.gz	YRIALACKKRORLS-LLVKDONJSA-N	0	1	215.256	0.491	20	30		BCEDMN
CNC(=O)[C@H]1NCCc2cc(C#N)ccc21	ZINC000876599255	590220468	/nfs/dbraw/zinc/22/04/68/590220468.db2.gz	YRIALACKKRORLS-NSHDSACASA-N	0	1	215.256	0.491	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](OC)C1CCOCC1	ZINC000876744907	590236710	/nfs/dbraw/zinc/23/67/10/590236710.db2.gz	GVKCUCSRIBSHDZ-CQSZACIVSA-N	0	1	235.327	0.996	20	30		BCEDMN
CN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21	ZINC000876791982	590241925	/nfs/dbraw/zinc/24/19/25/590241925.db2.gz	LANGXOMVLUFSKR-GFCCVEGCSA-N	0	1	229.283	0.833	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccnc1F	ZINC000876801434	590243135	/nfs/dbraw/zinc/24/31/35/590243135.db2.gz	CFEBNPWTXQMGFH-CBAPKCEASA-N	0	1	234.234	0.062	20	30		BCEDMN
COC1(CC(=O)N[C@@H]2CNC[C@H]2C#N)CCC1	ZINC000876802150	590243222	/nfs/dbraw/zinc/24/32/22/590243222.db2.gz	MDTBBWCMISILAR-NXEZZACHSA-N	0	1	237.303	0.173	20	30		BCEDMN
CCn1ncc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1C	ZINC000876801468	590243342	/nfs/dbraw/zinc/24/33/42/590243342.db2.gz	CXFWCBFHTWAVKA-ONGXEEELSA-N	0	1	247.302	0.053	20	30		BCEDMN
CC(C)n1cnc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000876803935	590243675	/nfs/dbraw/zinc/24/36/75/590243675.db2.gz	ZSBBGFXGPKSKSW-VHSXEESVSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(Cl)no1	ZINC000876802784	590243700	/nfs/dbraw/zinc/24/37/00/590243700.db2.gz	RWOHQAGBJRMOQR-RITPCOANSA-N	0	1	240.650	0.169	20	30		BCEDMN
CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876803031	590243753	/nfs/dbraw/zinc/24/37/53/590243753.db2.gz	UFKWDCCQLBCEPS-ZDCRXTMVSA-N	0	1	235.331	0.896	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(Cl)no1	ZINC000876802782	590243957	/nfs/dbraw/zinc/24/39/57/590243957.db2.gz	RWOHQAGBJRMOQR-NTSWFWBYSA-N	0	1	240.650	0.169	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(Cl)no1	ZINC000876802785	590244035	/nfs/dbraw/zinc/24/40/35/590244035.db2.gz	RWOHQAGBJRMOQR-WDSKDSINSA-N	0	1	240.650	0.169	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1N	ZINC000876803954	590244422	/nfs/dbraw/zinc/24/44/22/590244422.db2.gz	ZWCDXFWTDCZTDZ-HQJQHLMTSA-N	0	1	248.261	0.249	20	30		BCEDMN
C#CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1	ZINC000876942688	590259526	/nfs/dbraw/zinc/25/95/26/590259526.db2.gz	BPZRFRSALIHEFT-GFCCVEGCSA-N	0	1	247.254	0.518	20	30		BCEDMN
C#CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21	ZINC000876943290	590259633	/nfs/dbraw/zinc/25/96/33/590259633.db2.gz	OTTKKCRINVFPTH-CYBMUJFWSA-N	0	1	239.278	0.494	20	30		BCEDMN
N#Cc1cccc(CNC[C@H]2COCCO2)n1	ZINC000876951233	590260221	/nfs/dbraw/zinc/26/02/21/590260221.db2.gz	HQECQTZVDPKNRI-LBPRGKRZSA-N	0	1	233.271	0.458	20	30		BCEDMN
CCCCCCCNC(=O)C1(O)CNC1	ZINC000876988898	590265634	/nfs/dbraw/zinc/26/56/34/590265634.db2.gz	POMNHEGUBGBCFI-UHFFFAOYSA-N	0	1	214.309	0.407	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@@H](CNC(C)=O)C1	ZINC000878112793	590497116	/nfs/dbraw/zinc/49/71/16/590497116.db2.gz	OKYGKZPUEAAWHP-JQWIXIFHSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(CC)CCCO	ZINC000878150929	590507360	/nfs/dbraw/zinc/50/73/60/590507360.db2.gz	KYZFDUYFPMCGLS-JTQLQIEISA-N	0	1	215.293	0.808	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](O)[C@H](CC)C1	ZINC000878322979	590546431	/nfs/dbraw/zinc/54/64/31/590546431.db2.gz	RLHUAKMNVDIDTC-MXWKQRLJSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H](O)[C@@H](C)C1	ZINC000878464405	590571742	/nfs/dbraw/zinc/57/17/42/590571742.db2.gz	XCCPLIVEMFKUDP-HBNTYKKESA-N	0	1	227.304	0.807	20	30		BCEDMN
C#CCCC[NH+]1CCN(Cc2nc[nH]n2)CC1	ZINC000878809964	590625992	/nfs/dbraw/zinc/62/59/92/590625992.db2.gz	PGQAZKNJJSODEG-UHFFFAOYSA-N	0	1	233.319	0.336	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)C[C@](C)(O)C1CC1	ZINC000878820602	590627993	/nfs/dbraw/zinc/62/79/93/590627993.db2.gz	NABQHCQWWBOLTO-USWWRNFRSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCN(C[C@@H](O)CCOCC)C1CSC1	ZINC000878910385	590641519	/nfs/dbraw/zinc/64/15/19/590641519.db2.gz	UBRNTJPNIWRRFP-LBPRGKRZSA-N	0	1	243.372	0.825	20	30		BCEDMN
C#CCN(CCC(=O)OC)C1CSC1	ZINC000878913376	590648533	/nfs/dbraw/zinc/64/85/33/590648533.db2.gz	LXMCLDRIYQQLEB-UHFFFAOYSA-N	0	1	213.302	0.600	20	30		BCEDMN
C#CCN(CC[C@@H]1CCOC1=O)C1CSC1	ZINC000878912985	590649114	/nfs/dbraw/zinc/64/91/14/590649114.db2.gz	XCHLPLIOYLKDIY-SNVBAGLBSA-N	0	1	239.340	0.990	20	30		BCEDMN
C#CCN1CCC[C@@H](c2nnc(N)o2)C1	ZINC000878946973	590658430	/nfs/dbraw/zinc/65/84/30/590658430.db2.gz	HTMMKHHAHCTTBM-MRVPVSSYSA-N	0	1	206.249	0.464	20	30		BCEDMN
C=CC[C@H](C)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000878949395	590659053	/nfs/dbraw/zinc/65/90/53/590659053.db2.gz	LXSLSQNQQCGOQW-WDEREUQCSA-N	0	1	246.376	0.917	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@H](Cn2ccnn2)C1	ZINC000878985476	590667815	/nfs/dbraw/zinc/66/78/15/590667815.db2.gz	FQMQUXXBTYLSTN-RYUDHWBXSA-N	0	1	236.319	0.944	20	30		BCEDMN
C#CCCCCCN1CCO[C@H](CC(N)=O)C1	ZINC000879060296	590689178	/nfs/dbraw/zinc/68/91/78/590689178.db2.gz	BWPFUOCQGFADLJ-GFCCVEGCSA-N	0	1	238.331	0.756	20	30		BCEDMN
C#CCNC(=O)CN1CCC(CCF)CC1	ZINC000879209979	590715137	/nfs/dbraw/zinc/71/51/37/590715137.db2.gz	QRXZMQOEQIODBS-UHFFFAOYSA-N	0	1	226.295	0.807	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cnc(C)s1	ZINC000879250277	590721150	/nfs/dbraw/zinc/72/11/50/590721150.db2.gz	BOBHKBSZFQSYQV-MRVPVSSYSA-N	0	1	237.328	0.852	20	30		BCEDMN
CC#CCN1CCCC[C@@H]1CNC(=O)NC	ZINC000879337880	590750851	/nfs/dbraw/zinc/75/08/51/590750851.db2.gz	YQUVPNFCPUVLRT-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
C[C@H](C(N)=O)N(C)CCc1cccc(C#N)c1	ZINC000879433491	590767675	/nfs/dbraw/zinc/76/76/75/590767675.db2.gz	USIFIIAZESFCHH-SNVBAGLBSA-N	0	1	231.299	0.906	20	30		BCEDMN
COC(=O)CCN(CC#N)Cc1n[nH]c(C)n1	ZINC000879471936	590775425	/nfs/dbraw/zinc/77/54/25/590775425.db2.gz	KGTHLAATGLBTGI-UHFFFAOYSA-N	0	1	237.263	0.002	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@@H]2CSC[C@H]2C1	ZINC000879556671	590800459	/nfs/dbraw/zinc/80/04/59/590800459.db2.gz	GDJMGEQWWQZCED-NXEZZACHSA-N	0	1	239.344	0.311	20	30		BCEDMN
C#CCCCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1	ZINC000879940471	590891769	/nfs/dbraw/zinc/89/17/69/590891769.db2.gz	OFFZAGSQPYRIGZ-NWDGAFQWSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#CCONC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C	ZINC000880079688	590919875	/nfs/dbraw/zinc/91/98/75/590919875.db2.gz	SMSGLWNVUCXBGJ-LDYMZIIASA-N	0	1	233.271	0.757	20	30		BCEDMN
CCC#C[C@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1	ZINC000880564388	591093895	/nfs/dbraw/zinc/09/38/95/591093895.db2.gz	LNWWQVLSGPQSFC-CMPLNLGQSA-N	0	1	225.288	0.398	20	30		BCEDMN
CCC#C[C@H](C)N1CC[C@](O)(C(=O)OC)C1	ZINC000880564388	591093898	/nfs/dbraw/zinc/09/38/98/591093898.db2.gz	LNWWQVLSGPQSFC-CMPLNLGQSA-N	0	1	225.288	0.398	20	30		BCEDMN
C#CC1(F)CN(C(=O)C2(N(C)C)CC2)C1	ZINC000881937837	591279898	/nfs/dbraw/zinc/27/98/98/591279898.db2.gz	QUKDKHJZHMYJTA-UHFFFAOYSA-N	0	1	210.252	0.264	20	30		BCEDMN
Cc1nc(C#N)cc(N(C)Cc2nnc[nH]2)n1	ZINC000882001436	591286597	/nfs/dbraw/zinc/28/65/97/591286597.db2.gz	OHNPJLMIOQEELD-UHFFFAOYSA-N	0	1	229.247	0.411	20	30		BCEDMN
C=CCCOCC(=O)NC[C@@H]1CCN1CC	ZINC000882484937	591362604	/nfs/dbraw/zinc/36/26/04/591362604.db2.gz	ODHRIVNSSWZPQY-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000882893653	591466314	/nfs/dbraw/zinc/46/63/14/591466314.db2.gz	ZBVPLFDFTKCLJK-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000882893654	591466687	/nfs/dbraw/zinc/46/66/87/591466687.db2.gz	ZBVPLFDFTKCLJK-MNOVXSKESA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccnn1CC1CC1	ZINC000883125514	591544547	/nfs/dbraw/zinc/54/45/47/591544547.db2.gz	LDFMKVUUIHASCW-LBPRGKRZSA-N	0	1	233.315	0.767	20	30		BCEDMN
C#CC[C@H](CO)NCc1c(C)nnn1CC	ZINC000883125367	591544977	/nfs/dbraw/zinc/54/49/77/591544977.db2.gz	GQLSOISBDLNVAW-SNVBAGLBSA-N	0	1	222.292	0.080	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NCCC#N	ZINC000883655415	591711384	/nfs/dbraw/zinc/71/13/84/591711384.db2.gz	CCQUHDLFPIVNCZ-SECBINFHSA-N	0	1	210.281	0.293	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NC[C@H](C)C#N	ZINC000883601853	591699700	/nfs/dbraw/zinc/69/97/00/591699700.db2.gz	HPFQNRGMTBGXFW-NXEZZACHSA-N	0	1	224.308	0.539	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NCCC#N	ZINC000883655416	591711443	/nfs/dbraw/zinc/71/14/43/591711443.db2.gz	CCQUHDLFPIVNCZ-VIFPVBQESA-N	0	1	210.281	0.293	20	30		BCEDMN
CCc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)no1	ZINC000884249680	591883321	/nfs/dbraw/zinc/88/33/21/591883321.db2.gz	PNSJKNOBGGNRGB-OIBJUYFYSA-N	0	1	234.259	0.078	20	30		BCEDMN
C=CC(C)(C)CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000884250300	591884305	/nfs/dbraw/zinc/88/43/05/591884305.db2.gz	BLFXMCVYPZINJL-ZJUUUORDSA-N	0	1	221.304	0.816	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CCCC(=O)[C@H]1C	ZINC000885052701	592040235	/nfs/dbraw/zinc/04/02/35/592040235.db2.gz	YXISBFPNILEPMF-SNVBAGLBSA-N	0	1	224.304	0.684	20	30		BCEDMN
C#CC[C@@H]1CCN(Cc2nccc(N)n2)C1	ZINC000886362564	592217881	/nfs/dbraw/zinc/21/78/81/592217881.db2.gz	CLYJOIRTXQHORX-SNVBAGLBSA-N	0	1	216.288	0.904	20	30		BCEDMN
C#CCC1(NCc2cnn(C)n2)CCOCC1	ZINC000886378959	592221327	/nfs/dbraw/zinc/22/13/27/592221327.db2.gz	HZYDFUGKVQLWOP-UHFFFAOYSA-N	0	1	234.303	0.477	20	30		BCEDMN
C#CCC1(NCc2cn(C)nn2)CCOCC1	ZINC000886381879	592222099	/nfs/dbraw/zinc/22/20/99/592222099.db2.gz	WLRWAKCQVREPKB-UHFFFAOYSA-N	0	1	234.303	0.477	20	30		BCEDMN
C#CCCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000220562100	592318462	/nfs/dbraw/zinc/31/84/62/592318462.db2.gz	CRHFPMCFHXMXHO-SECBINFHSA-N	0	1	217.272	0.654	20	30		BCEDMN
C#CCC1(NC(=O)[C@@H](C)N(C)C)CCC1	ZINC000886802512	592332189	/nfs/dbraw/zinc/33/21/89/592332189.db2.gz	NWPIEXHDQNWXMS-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCCF	ZINC000887136452	592451252	/nfs/dbraw/zinc/45/12/52/592451252.db2.gz	UNXDCEGGRYTYSS-SECBINFHSA-N	0	1	200.257	0.416	20	30		BCEDMN
C#CCCCCC(=O)NCCc1nc[nH]n1	ZINC000222932725	592511147	/nfs/dbraw/zinc/51/11/47/592511147.db2.gz	NQUPVQDVKBYHLR-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C#CCCCCC(=O)N(C)Cc1nnc[nH]1	ZINC000222925612	592511163	/nfs/dbraw/zinc/51/11/63/592511163.db2.gz	RKAKLLBUNMFUGN-UHFFFAOYSA-N	0	1	220.276	0.957	20	30		BCEDMN
C#CCNC(=O)CN1CCCO[C@H](CC)C1	ZINC000300810666	592521498	/nfs/dbraw/zinc/52/14/98/592521498.db2.gz	CASAFSIGPDNNOH-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCNC(=O)CN1CCCO[C@@H](CC)C1	ZINC000300810667	592521520	/nfs/dbraw/zinc/52/15/20/592521520.db2.gz	CASAFSIGPDNNOH-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)NCc1n[nH]c(=O)n1C	ZINC000889583104	592621761	/nfs/dbraw/zinc/62/17/61/592621761.db2.gz	ZNHFPSCWPHFFAX-SSDOTTSWSA-N	0	1	239.279	0.285	20	30		BCEDMN
COCC[N@@H+](CC(=O)[O-])Cc1ccnc(C#N)c1	ZINC000068756815	597366558	/nfs/dbraw/zinc/36/65/58/597366558.db2.gz	YWZUPDNBIAXKNA-UHFFFAOYSA-N	0	1	249.270	0.486	20	30		BCEDMN
COCC#CC[N@H+]1CCC[C@H](CC(=O)[O-])C1	ZINC000694808608	597507443	/nfs/dbraw/zinc/50/74/43/597507443.db2.gz	HWTYNAWYJNHRQI-LLVKDONJSA-N	0	1	225.288	0.823	20	30		BCEDMN
COCC[N@@H+](CCC(C)(C)C#N)CC(=O)[O-]	ZINC000083639204	598195278	/nfs/dbraw/zinc/19/52/78/598195278.db2.gz	XSDPHLDHAKRVBG-UHFFFAOYSA-N	0	1	228.292	0.959	20	30		BCEDMN
CC#CC[N@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC000085611857	601016781	/nfs/dbraw/zinc/01/67/81/601016781.db2.gz	AAEHJBTWKPQYES-VIFPVBQESA-N	0	1	213.302	0.902	20	30		BCEDMN
N#CCCC[N@@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000085617771	601456064	/nfs/dbraw/zinc/45/60/64/601456064.db2.gz	ZHBUHYKPHCJQOP-VIFPVBQESA-N	0	1	212.249	0.466	20	30		BCEDMN
N#CCCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000085617771	601456067	/nfs/dbraw/zinc/45/60/67/601456067.db2.gz	ZHBUHYKPHCJQOP-VIFPVBQESA-N	0	1	212.249	0.466	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000062935447	601911438	/nfs/dbraw/zinc/91/14/38/601911438.db2.gz	OQNJMOJVHDNBMF-BXKDBHETSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000226915729	601911947	/nfs/dbraw/zinc/91/19/47/601911947.db2.gz	OQNJMOJVHDNBMF-SKDRFNHKSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000062936485	601943103	/nfs/dbraw/zinc/94/31/03/601943103.db2.gz	BUGIWFZLYPTUCX-LLVKDONJSA-N	0	1	226.276	0.085	20	30		BCEDMN
C[C@@H]1CN(C(=O)[O-])CC[N@@H+]1CCCC#N	ZINC000739159751	602738880	/nfs/dbraw/zinc/73/88/80/602738880.db2.gz	HJFWIAUQXAJDFO-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
C[C@@H]1CN(C(=O)[O-])CC[N@H+]1CCCC#N	ZINC000739159751	602738881	/nfs/dbraw/zinc/73/88/81/602738881.db2.gz	HJFWIAUQXAJDFO-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
C[C@@H]1C[N@H+](CCCC#N)CCN1C(=O)[O-]	ZINC000739181563	603361665	/nfs/dbraw/zinc/36/16/65/603361665.db2.gz	JYSFQPOQBCJBNU-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
C[C@@H]1C[N@@H+](CCCC#N)CCN1C(=O)[O-]	ZINC000739181563	603361666	/nfs/dbraw/zinc/36/16/66/603361666.db2.gz	JYSFQPOQBCJBNU-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
CC(C)(C#N)CC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253092360	605189239	/nfs/dbraw/zinc/18/92/39/605189239.db2.gz	KWIQZEUVXILZKL-BDAKNGLRSA-N	0	1	226.276	0.446	20	30		BCEDMN
C[C@@H](CC#N)[N@H+](C)C[C@](C)(O)C(=O)[O-]	ZINC000070714709	605497684	/nfs/dbraw/zinc/49/76/84/605497684.db2.gz	OOOPJYJLAATTQJ-CBAPKCEASA-N	0	1	200.238	0.056	20	30		BCEDMN
C[C@@H](CC#N)[N@@H+](C)C[C@](C)(O)C(=O)[O-]	ZINC000070714709	605497686	/nfs/dbraw/zinc/49/76/86/605497686.db2.gz	OOOPJYJLAATTQJ-CBAPKCEASA-N	0	1	200.238	0.056	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)C(C)(F)F)C1	ZINC001009857240	634605409	/nfs/dbraw/zinc/60/54/09/634605409.db2.gz	MHMBBLAADUZWDC-VIFPVBQESA-N	0	1	230.258	0.855	20	30		BCEDMN
COC(=O)N1CCC[C@H](NCCC#N)C1	ZINC000259929461	635274221	/nfs/dbraw/zinc/27/42/21/635274221.db2.gz	DGASLCHIEVRETJ-VIFPVBQESA-N	0	1	211.265	0.720	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1	ZINC001010410388	635592663	/nfs/dbraw/zinc/59/26/63/635592663.db2.gz	VORQPKKZJQPLIJ-RYUDHWBXSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000971570420	631322846	/nfs/dbraw/zinc/32/28/46/631322846.db2.gz	COYQRTRZTQDSAM-SCRDCRAPSA-N	0	1	248.326	0.189	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)cc2O)N1	ZINC000779791467	631524718	/nfs/dbraw/zinc/52/47/18/631524718.db2.gz	CYBNPQIVBXRJTJ-SSDOTTSWSA-N	0	1	234.259	0.369	20	30		BCEDMN
N#CCCOCCN1CCC[C@H]1C1OCCO1	ZINC000933899654	631547214	/nfs/dbraw/zinc/54/72/14/631547214.db2.gz	FGLREPXXNMQOJI-NSHDSACASA-N	0	1	240.303	0.754	20	30		BCEDMN
CC(C)(CNCCC#N)N1CCOCC1	ZINC000308822183	631673602	/nfs/dbraw/zinc/67/36/02/631673602.db2.gz	CJRXLERTOHFABM-UHFFFAOYSA-N	0	1	211.309	0.600	20	30		BCEDMN
CC[C@@H](NN=C1C[N@H+](C)C[C@H]1C)C(=O)[O-]	ZINC000308834894	631674996	/nfs/dbraw/zinc/67/49/96/631674996.db2.gz	HSQBEOZUGMIZMM-HTQZYQBOSA-N	0	1	213.281	0.377	20	30		BCEDMN
CC[C@@H](NN=C1C[N@@H+](C)C[C@H]1C)C(=O)[O-]	ZINC000308834894	631675003	/nfs/dbraw/zinc/67/50/03/631675003.db2.gz	HSQBEOZUGMIZMM-HTQZYQBOSA-N	0	1	213.281	0.377	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2c[nH]nc2C)C1	ZINC000972052951	631747387	/nfs/dbraw/zinc/74/73/87/631747387.db2.gz	OAZVLAPMENYXRD-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCC(=O)OC	ZINC000934465210	631862043	/nfs/dbraw/zinc/86/20/43/631862043.db2.gz	LAHAKEAPVHUCKW-VHSXEESVSA-N	0	1	240.303	0.315	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@H](C)C(=O)NC(=O)NC	ZINC000934473490	631867482	/nfs/dbraw/zinc/86/74/82/631867482.db2.gz	WMDKOBNABNUFPZ-RKDXNWHRSA-N	0	1	225.292	0.481	20	30		BCEDMN
C#CCONC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C	ZINC000308876775	632059073	/nfs/dbraw/zinc/05/90/73/632059073.db2.gz	BSPAMAWUXRRIKB-XKNYDFJKSA-N	0	1	211.261	0.727	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1	ZINC000972513111	632394121	/nfs/dbraw/zinc/39/41/21/632394121.db2.gz	IKXFPZMUUTWNMT-LLVKDONJSA-N	0	1	246.314	0.498	20	30		BCEDMN
N#CCCNC(=O)CN1CCCCC[C@@H]1CO	ZINC000157010436	632410172	/nfs/dbraw/zinc/41/01/72/632410172.db2.gz	YVBVMQFGBPBMMB-LLVKDONJSA-N	0	1	239.319	0.253	20	30		BCEDMN
COC(=O)N1CCC[C@@H](NCCC#N)C1	ZINC000259929458	632527275	/nfs/dbraw/zinc/52/72/75/632527275.db2.gz	DGASLCHIEVRETJ-SECBINFHSA-N	0	1	211.265	0.720	20	30		BCEDMN
C#C[C@H](CC)N[C@H]1CCCS(=O)(=O)C1	ZINC000229532097	632573863	/nfs/dbraw/zinc/57/38/63/632573863.db2.gz	JEDBBFIKVOEYBP-ZJUUUORDSA-N	0	1	215.318	0.565	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/C1CC1	ZINC000309623156	632587184	/nfs/dbraw/zinc/58/71/84/632587184.db2.gz	IFFSVDMGHSFXOV-OKWQPMOJSA-N	0	1	205.261	0.180	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)c2ccon2)CC1	ZINC000892448498	632722991	/nfs/dbraw/zinc/72/29/91/632722991.db2.gz	SOKYJLMXETXVRI-UHFFFAOYSA-N	0	1	247.298	0.983	20	30		BCEDMN
O=c1ccc(CN[C@H]2CCCN(O)C2=O)c[nH]1	ZINC000895157743	636099795	/nfs/dbraw/zinc/09/97/95/636099795.db2.gz	FIOLTGPYIGEDKO-VIFPVBQESA-N	0	1	237.259	0.257	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1OCC	ZINC001025689069	633744272	/nfs/dbraw/zinc/74/42/72/633744272.db2.gz	LONPRKXBLOEZRY-BNDIWNMDSA-N	0	1	248.326	0.091	20	30		BCEDMN
CCCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000309845516	633834773	/nfs/dbraw/zinc/83/47/73/633834773.db2.gz	SUHPDSQJUFDPBB-NXEZZACHSA-N	0	1	209.293	0.794	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H]1C	ZINC001026123086	633852294	/nfs/dbraw/zinc/85/22/94/633852294.db2.gz	BXQSHNRGEVVLRW-KVSVUVNWSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](COCC)C1	ZINC000081519718	633965572	/nfs/dbraw/zinc/96/55/72/633965572.db2.gz	DPMCTYVKYUJGMU-NSHDSACASA-N	0	1	224.304	0.094	20	30		BCEDMN
CC(=O)NC[C@H]1CCCCN1C[C@H](O)CC#N	ZINC000931338534	634363485	/nfs/dbraw/zinc/36/34/85/634363485.db2.gz	RUHISDNUFMXJPS-VXGBXAGGSA-N	0	1	239.319	0.252	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cccnc1	ZINC001027709322	635122252	/nfs/dbraw/zinc/12/22/52/635122252.db2.gz	PQXITSFAQWIAIQ-ZDUSSCGKSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1	ZINC001027764415	635139219	/nfs/dbraw/zinc/13/92/19/635139219.db2.gz	YHZQGUUIFZVCQV-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ccn(C)c1	ZINC001027818658	635159740	/nfs/dbraw/zinc/15/97/40/635159740.db2.gz	DACBYAHVSNKSMU-ZDUSSCGKSA-N	0	1	245.326	0.853	20	30		BCEDMN
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C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1	ZINC001010064709	635180087	/nfs/dbraw/zinc/18/00/87/635180087.db2.gz	ZSZMYCBDNXXFCW-MNOVXSKESA-N	0	1	224.304	0.542	20	30		BCEDMN
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C#CCCN1CCCN(C(=O)c2ccon2)CC1	ZINC000980779036	635272351	/nfs/dbraw/zinc/27/23/51/635272351.db2.gz	JVKWNLDCYLEQHC-UHFFFAOYSA-N	0	1	247.298	0.846	20	30		BCEDMN
C=CCN1CCCN(C(=O)Cc2cc[nH]n2)CC1	ZINC000980884465	635291481	/nfs/dbraw/zinc/29/14/81/635291481.db2.gz	DUKXRWDNPQMKTK-UHFFFAOYSA-N	0	1	248.330	0.673	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1C	ZINC001028062619	635341877	/nfs/dbraw/zinc/34/18/77/635341877.db2.gz	WEOHGARZEHZJJU-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
CC#CCN1CCCC2(CN(C(C)=O)C2)C1	ZINC000981567024	635370676	/nfs/dbraw/zinc/37/06/76/635370676.db2.gz	CBXVSWQRDHHSJN-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ccncn1	ZINC001028208706	635476749	/nfs/dbraw/zinc/47/67/49/635476749.db2.gz	SLOLPFKBDQHLPT-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ccncn1	ZINC001028208707	635477115	/nfs/dbraw/zinc/47/71/15/635477115.db2.gz	SLOLPFKBDQHLPT-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCSCC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000895874008	636179899	/nfs/dbraw/zinc/17/98/99/636179899.db2.gz	DIVJEQUOJNJWGO-SNVBAGLBSA-N	0	1	238.356	0.706	20	30		BCEDMN
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C#CCN1CCC(NC(=O)CCCC#N)CC1	ZINC000928651494	636263577	/nfs/dbraw/zinc/26/35/77/636263577.db2.gz	UJGPMEKIQXWWQF-UHFFFAOYSA-N	0	1	233.315	0.894	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@@H](NCC#N)[C@@H]2C)n[nH]1	ZINC000986011893	636467345	/nfs/dbraw/zinc/46/73/45/636467345.db2.gz	SACYPUAXVIOFDU-VHSXEESVSA-N	0	1	247.302	0.434	20	30		BCEDMN
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CC#CCN(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897862093	636839427	/nfs/dbraw/zinc/83/94/27/636839427.db2.gz	YHKIDPBRACGPTO-LBPRGKRZSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CC[C@@H]1C(=O)N(c2cnnn2C)N=C1C	ZINC000899355966	637082763	/nfs/dbraw/zinc/08/27/63/637082763.db2.gz	GFWVFCURMAFMJE-QMMMGPOBSA-N	0	1	217.232	0.177	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)Cc1c[nH]cn1	ZINC000900239941	637175624	/nfs/dbraw/zinc/17/56/24/637175624.db2.gz	LKHJXDGPGKDKHZ-VIFPVBQESA-N	0	1	220.276	0.960	20	30		BCEDMN
C#CCN1CCC[C@H](N[C@H](C)c2cn(C)nn2)C1	ZINC000903092852	637343384	/nfs/dbraw/zinc/34/33/84/637343384.db2.gz	DSJJRENXAKRDAW-NEPJUHHUSA-N	0	1	247.346	0.563	20	30		BCEDMN
CC1/C(=C\c2cnn(C)n2)C(=O)c2ncnn21	ZINC000905083033	637581898	/nfs/dbraw/zinc/58/18/98/637581898.db2.gz	ARYNPXUFUUGHSQ-IMVZXEPYSA-N	0	1	230.231	0.248	20	30		BCEDMN
CC1/C(=C/c2cnn(C)n2)C(=O)c2ncnn21	ZINC000905083032	637582572	/nfs/dbraw/zinc/58/25/72/637582572.db2.gz	ARYNPXUFUUGHSQ-GNEVJZIGSA-N	0	1	230.231	0.248	20	30		BCEDMN
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C#C[C@H](NCC[N+](=O)[O-])C1CCOCC1	ZINC000905380168	637782455	/nfs/dbraw/zinc/78/24/55/637782455.db2.gz	HGSPUNQFYPZURS-JTQLQIEISA-N	0	1	212.249	0.281	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)C[C@@H](O)c1ccccc1	ZINC000905365228	637787682	/nfs/dbraw/zinc/78/76/82/637787682.db2.gz	HVKDRIVMGRNJOK-HZSPNIEDSA-N	0	1	249.310	0.055	20	30		BCEDMN
C#C[C@@H](CO)NC[C@](O)(CC)C(F)(F)F	ZINC000905366519	637789805	/nfs/dbraw/zinc/78/98/05/637789805.db2.gz	OSIVEQPAKUQORW-JGVFFNPUSA-N	0	1	225.210	0.274	20	30		BCEDMN
CC(C)(C#N)CNC(=O)Cc1cnc[nH]1	ZINC000907296835	638345590	/nfs/dbraw/zinc/34/55/90/638345590.db2.gz	VBEKCGWIDYIYQQ-UHFFFAOYSA-N	0	1	206.249	0.618	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000907362739	638362352	/nfs/dbraw/zinc/36/23/52/638362352.db2.gz	KHYREQQRXJBSHM-MRVPVSSYSA-N	0	1	209.249	0.005	20	30		BCEDMN
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C#CCC[C@@H](O)CNC(=O)c1[nH]ncc1F	ZINC000907976854	638532149	/nfs/dbraw/zinc/53/21/49/638532149.db2.gz	ARSBETIHSUYTPW-SSDOTTSWSA-N	0	1	225.223	0.053	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cc(C(F)F)[nH]n1	ZINC000907979775	638534434	/nfs/dbraw/zinc/53/44/34/638534434.db2.gz	MNMIIBCZPIUCIL-UHFFFAOYSA-N	0	1	238.197	0.946	20	30		BCEDMN
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C=CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000909714142	639207374	/nfs/dbraw/zinc/20/73/74/639207374.db2.gz	UGNVXYQLLXUPDY-NXEZZACHSA-N	0	1	240.303	0.616	20	30		BCEDMN
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CCC#C[C@@H](C)[N@H+]1CCC(OC)(OC)[C@H](O)C1	ZINC000931633531	640297777	/nfs/dbraw/zinc/29/77/77/640297777.db2.gz	GWZBGKYQMVBYDE-VXGBXAGGSA-N	0	1	241.331	0.844	20	30		BCEDMN
CCC#C[C@@H](C)N1CCC(OC)(OC)[C@H](O)C1	ZINC000931633531	640297782	/nfs/dbraw/zinc/29/77/82/640297782.db2.gz	GWZBGKYQMVBYDE-VXGBXAGGSA-N	0	1	241.331	0.844	20	30		BCEDMN
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C#CCN1CC[C@H](NC(=O)c2ccon2)C[C@@H]1C	ZINC000947088532	640610305	/nfs/dbraw/zinc/61/03/05/640610305.db2.gz	GRBTYPJDRCSXKS-QWRGUYRKSA-N	0	1	247.298	0.891	20	30		BCEDMN
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C#C[C@H]1CCCC[N@H+]1CCN1CCOCC1	ZINC000934512569	641179988	/nfs/dbraw/zinc/17/99/88/641179988.db2.gz	QRLMNJAKTGIDOF-ZDUSSCGKSA-N	0	1	222.332	0.806	20	30		BCEDMN
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C#CCN(C)[C@H]1CCN(C(=O)c2cncs2)C1	ZINC000971149810	641196307	/nfs/dbraw/zinc/19/63/07/641196307.db2.gz	MMEBBLNSTPSJPJ-JTQLQIEISA-N	0	1	249.339	0.923	20	30		BCEDMN
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CC(C)C#CC(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000913746304	641466864	/nfs/dbraw/zinc/46/68/64/641466864.db2.gz	NPAPFDGLZXBEID-UHFFFAOYSA-N	0	1	247.302	0.565	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1cccc(F)c1O	ZINC000936062404	641526650	/nfs/dbraw/zinc/52/66/50/641526650.db2.gz	LRWCVZAKYXNTDI-QMMMGPOBSA-N	0	1	237.230	0.645	20	30		BCEDMN
C#CCNC(=O)CN(C)CCc1cccs1	ZINC000075965474	641784709	/nfs/dbraw/zinc/78/47/09/641784709.db2.gz	YVWHYFXXOXDEFQ-UHFFFAOYSA-N	0	1	236.340	0.972	20	30		BCEDMN
C=CCN1CCN(C(=O)c2[nH]nnc2C)CC1	ZINC000949599183	641845189	/nfs/dbraw/zinc/84/51/89/641845189.db2.gz	FZOXMXCCIUDTHA-UHFFFAOYSA-N	0	1	235.291	0.057	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn[n-]2)[C@@H]1C	ZINC000993539544	641876100	/nfs/dbraw/zinc/87/61/00/641876100.db2.gz	HKEXEGYYAIUYMM-VHSXEESVSA-N	0	1	247.302	0.021	20	30		BCEDMN
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C#CC1(F)CN(C(=O)NC[C@@H]2CCN2C)C1	ZINC000925430615	641968353	/nfs/dbraw/zinc/96/83/53/641968353.db2.gz	AHDBIXOXNSMNTJ-VIFPVBQESA-N	0	1	225.267	0.057	20	30		BCEDMN
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C=C(C)[C@@H](CO)N1CCN(C(C)(C)CO)CC1	ZINC000929980959	642061100	/nfs/dbraw/zinc/06/11/00/642061100.db2.gz	HOYNUDHOBPOUHU-GFCCVEGCSA-N	0	1	242.363	0.312	20	30		BCEDMN
C#CCCCOC(=O)CCc1nc[nH]n1	ZINC000154510643	642118669	/nfs/dbraw/zinc/11/86/69/642118669.db2.gz	BPWFIGYRRQBBNH-UHFFFAOYSA-N	0	1	207.233	0.694	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1	ZINC000971177892	642314059	/nfs/dbraw/zinc/31/40/59/642314059.db2.gz	QZYGXTMMSOLWCK-VXGBXAGGSA-N	0	1	236.315	0.189	20	30		BCEDMN
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C#CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)OC)C1	ZINC000971187571	642319928	/nfs/dbraw/zinc/31/99/28/642319928.db2.gz	PAYHXZOINCNEHW-NEPJUHHUSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1	ZINC000971211979	642326923	/nfs/dbraw/zinc/32/69/23/642326923.db2.gz	WASDAWHPNPRYOU-LLVKDONJSA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1	ZINC000971245470	642331159	/nfs/dbraw/zinc/33/11/59/642331159.db2.gz	FFFLXFCIFKBZAJ-GFCCVEGCSA-N	0	1	246.314	0.118	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cocn2)C1	ZINC001031581912	642334913	/nfs/dbraw/zinc/33/49/13/642334913.db2.gz	BMAMVDBNLZUVQB-UHFFFAOYSA-N	0	1	233.271	0.360	20	30		BCEDMN
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C=CCN1CC(CNC(=O)c2ccn(C)c2)C1	ZINC001031608134	642370467	/nfs/dbraw/zinc/37/04/67/642370467.db2.gz	REWIPFYWRKLRQC-UHFFFAOYSA-N	0	1	233.315	0.873	20	30		BCEDMN
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C=CCN1CC(CNC(=O)c2cc[nH]c2)C1	ZINC001031689841	642582230	/nfs/dbraw/zinc/58/22/30/642582230.db2.gz	CCTCCYCUTYPXNG-UHFFFAOYSA-N	0	1	219.288	0.862	20	30		BCEDMN
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C#CCCN1CCC[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001006797547	642825967	/nfs/dbraw/zinc/82/59/67/642825967.db2.gz	MPIIVVISLLZPDW-NSHDSACASA-N	0	1	246.314	0.627	20	30		BCEDMN
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CC#CCN1CC[C@@H](NC(=O)Cn2cccn2)C1	ZINC001010211705	642854822	/nfs/dbraw/zinc/85/48/22/642854822.db2.gz	HOXWUKZMDJLVCY-GFCCVEGCSA-N	0	1	246.314	0.097	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1	ZINC001010246623	642854933	/nfs/dbraw/zinc/85/49/33/642854933.db2.gz	DFQLVCCEFZASAH-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
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C#CCOCCC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000804813652	643373537	/nfs/dbraw/zinc/37/35/37/643373537.db2.gz	ITQCUVXIZLFIME-MRVPVSSYSA-N	0	1	236.275	0.330	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC	ZINC001032238192	643386824	/nfs/dbraw/zinc/38/68/24/643386824.db2.gz	JUBGBMSILVZBFH-QWRGUYRKSA-N	0	1	206.289	0.705	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cncnc2)C1	ZINC001010712965	643485074	/nfs/dbraw/zinc/48/50/74/643485074.db2.gz	RTJZXFMKFVWNST-GFCCVEGCSA-N	0	1	244.298	0.304	20	30		BCEDMN
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N	ZINC001032318474	643496642	/nfs/dbraw/zinc/49/66/42/643496642.db2.gz	OYXOMRPFGGGXTI-UTLUCORTSA-N	0	1	207.277	0.451	20	30		BCEDMN
O=C(NCC#C[C@@H]1CCCCO1)c1ncn[nH]1	ZINC000891124484	643501978	/nfs/dbraw/zinc/50/19/78/643501978.db2.gz	KPEUOENZPWHDIU-VIFPVBQESA-N	0	1	234.259	0.107	20	30		BCEDMN
O=C(NCC#C[C@@H]1CCCCO1)c1nc[nH]n1	ZINC000891124484	643501984	/nfs/dbraw/zinc/50/19/84/643501984.db2.gz	KPEUOENZPWHDIU-VIFPVBQESA-N	0	1	234.259	0.107	20	30		BCEDMN
Cc1nc(CC(=O)N[C@H](C#N)C2CCCC2)n[nH]1	ZINC000921550953	643602528	/nfs/dbraw/zinc/60/25/28/643602528.db2.gz	NSUTWEQEQUHCKT-SNVBAGLBSA-N	0	1	247.302	0.854	20	30		BCEDMN
N#C[C@@H](NC(=O)Cc1nnc[nH]1)C1CCCC1	ZINC000921551883	643603440	/nfs/dbraw/zinc/60/34/40/643603440.db2.gz	AOEIHVTXDFEYKG-SECBINFHSA-N	0	1	233.275	0.546	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C(F)F)C1	ZINC000970925756	643620202	/nfs/dbraw/zinc/62/02/02/643620202.db2.gz	WTFANPUGTMGIPN-MRVPVSSYSA-N	0	1	216.231	0.417	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)CC2CC2)C1	ZINC000970937449	643625956	/nfs/dbraw/zinc/62/59/56/643625956.db2.gz	GOVHHZFHEHNDLB-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)F)C1	ZINC000970942347	643629723	/nfs/dbraw/zinc/62/97/23/643629723.db2.gz	OLVZPDNKEXKQSP-JTQLQIEISA-N	0	1	226.295	0.900	20	30		BCEDMN
C#CC[N@H+](C)[C@H]1CCN(C(=O)CCC)C1	ZINC000970969350	643641458	/nfs/dbraw/zinc/64/14/58/643641458.db2.gz	QYYQGNORSRPHJU-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)CCC)C1	ZINC000970969350	643641461	/nfs/dbraw/zinc/64/14/61/643641461.db2.gz	QYYQGNORSRPHJU-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)[C@H]2CCCO2)CC1	ZINC001000418478	643781148	/nfs/dbraw/zinc/78/11/48/643781148.db2.gz	KDDVKKCSGPMNHN-CYBMUJFWSA-N	0	1	248.326	0.547	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)c2ccon2)CC1	ZINC001000463040	643784431	/nfs/dbraw/zinc/78/44/31/643784431.db2.gz	OBZPKDPMGXQPQP-UHFFFAOYSA-N	0	1	245.282	0.670	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NC[C@H]1CCN1C	ZINC000921881721	643816792	/nfs/dbraw/zinc/81/67/92/643816792.db2.gz	UTIUHDGLSZDQJY-RKDXNWHRSA-N	0	1	210.281	0.149	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCC(C)(C)C#N	ZINC000921888151	643817704	/nfs/dbraw/zinc/81/77/04/643817704.db2.gz	NYWJDMNVRHRYBZ-VIFPVBQESA-N	0	1	224.308	0.539	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000921980730	643837521	/nfs/dbraw/zinc/83/75/21/643837521.db2.gz	NOESPTPYVWRZNT-MXWKQRLJSA-N	0	1	236.319	0.682	20	30		BCEDMN
C#CCC1(NS(=O)(=O)c2ncc[nH]2)CCC1	ZINC000922045543	643853086	/nfs/dbraw/zinc/85/30/86/643853086.db2.gz	DWZXSIFVNHVIFP-UHFFFAOYSA-N	0	1	239.300	0.634	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1	ZINC001002866521	643853997	/nfs/dbraw/zinc/85/39/97/643853997.db2.gz	RLAZCXYLYOFGGO-FZMZJTMJSA-N	0	1	248.326	0.237	20	30		BCEDMN
C[C@@H](O)[C@@H](CO)NCc1csc(C#N)c1	ZINC000922181601	643895225	/nfs/dbraw/zinc/89/52/25/643895225.db2.gz	VMZSPYGCVSUONS-GMSGAONNSA-N	0	1	226.301	0.451	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000922958489	644200478	/nfs/dbraw/zinc/20/04/78/644200478.db2.gz	IIHQRUXRHDGRTA-HBNTYKKESA-N	0	1	236.319	0.682	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COCC1CC1	ZINC000193487636	644247782	/nfs/dbraw/zinc/24/77/82/644247782.db2.gz	BHVDARBOJUHUIX-SNVBAGLBSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCN1C	ZINC000923221597	644290411	/nfs/dbraw/zinc/29/04/11/644290411.db2.gz	HGNIJWWIUCREFC-QWRGUYRKSA-N	0	1	223.320	0.792	20	30		BCEDMN
C#CCNCC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000088362455	644518654	/nfs/dbraw/zinc/51/86/54/644518654.db2.gz	ADONCLVDTRDRPC-GHMZBOCLSA-N	0	1	208.305	0.904	20	30		BCEDMN
C=CCONC(=O)N[C@H]1CCCN(C)C1	ZINC000838703100	644544118	/nfs/dbraw/zinc/54/41/18/644544118.db2.gz	ANNQNQFHIRMNLB-VIFPVBQESA-N	0	1	213.281	0.497	20	30		BCEDMN
C#CCNCC(=O)NC[C@@H](O)c1ccccc1	ZINC000092492205	644660030	/nfs/dbraw/zinc/66/00/30/644660030.db2.gz	SXIRUYQHIJCVTH-GFCCVEGCSA-N	0	1	232.283	0.059	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnccc2N(C)C)N1	ZINC000779798755	644717536	/nfs/dbraw/zinc/71/75/36/644717536.db2.gz	GDKTYVYLXMXVGP-VIFPVBQESA-N	0	1	246.318	0.419	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(C#N)s2)N1	ZINC000779804573	644717786	/nfs/dbraw/zinc/71/77/86/644717786.db2.gz	FQIMVPZCHGEXAV-SSDOTTSWSA-N	0	1	233.300	0.891	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1	ZINC000958017108	644771031	/nfs/dbraw/zinc/77/10/31/644771031.db2.gz	HVOMQKAJCKSONG-GDNZZTSVSA-N	0	1	218.300	0.466	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1	ZINC000958216768	644781689	/nfs/dbraw/zinc/78/16/89/644781689.db2.gz	MOVUGCLDJXVUAN-IAZYJMLFSA-N	0	1	229.283	0.308	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn1C	ZINC000958259474	644784009	/nfs/dbraw/zinc/78/40/09/644784009.db2.gz	JUFVZMCHYXOMJS-PJXYFTJBSA-N	0	1	243.310	0.318	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1	ZINC000958331785	644789067	/nfs/dbraw/zinc/78/90/67/644789067.db2.gz	OXFUVEKUIJJKQW-IAZYJMLFSA-N	0	1	245.282	0.358	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1	ZINC000958410754	644794854	/nfs/dbraw/zinc/79/48/54/644794854.db2.gz	PFPHBESJCLVHKJ-IAZYJMLFSA-N	0	1	244.298	0.011	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1C	ZINC000958495893	644800912	/nfs/dbraw/zinc/80/09/12/644800912.db2.gz	NLZIPQDTUYLNHE-URLYPYJESA-N	0	1	245.282	0.276	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F	ZINC000958800990	644828410	/nfs/dbraw/zinc/82/84/10/644828410.db2.gz	NIPIPZQEZHNZHI-RGOKHQFPSA-N	0	1	240.253	0.321	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCCCN2)CC1	ZINC000808097451	644872503	/nfs/dbraw/zinc/87/25/03/644872503.db2.gz	FZKJYYJSSFQUMR-UHFFFAOYSA-N	0	1	235.331	0.459	20	30		BCEDMN
CNC(=O)[C@H]1CCCN1CCO[C@@H](C)C#N	ZINC000304218960	644877294	/nfs/dbraw/zinc/87/72/94/644877294.db2.gz	GYBBWDVPDVKISD-VHSXEESVSA-N	0	1	225.292	0.125	20	30		BCEDMN
CCNC(=O)CN(CC)CCO[C@H](C)C#N	ZINC000304289282	644888196	/nfs/dbraw/zinc/88/81/96/644888196.db2.gz	YSMOBNXEWDEJGE-SNVBAGLBSA-N	0	1	227.308	0.373	20	30		BCEDMN
C[C@@H]1CN(CC(=O)NCCC#N)C[C@H](C)N1C	ZINC000815180037	644951675	/nfs/dbraw/zinc/95/16/75/644951675.db2.gz	ZITCGWFXYPVALE-PHIMTYICSA-N	0	1	238.335	0.041	20	30		BCEDMN
C=C(Cl)CN1CC[C@@H](C(=O)NC)C1	ZINC000817283983	644970107	/nfs/dbraw/zinc/97/01/07/644970107.db2.gz	GKSRHRFKNJQFKF-MRVPVSSYSA-N	0	1	202.685	0.807	20	30		BCEDMN
C#CC1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000830345510	645120558	/nfs/dbraw/zinc/12/05/58/645120558.db2.gz	GISDXCHTENFDHH-LBPRGKRZSA-N	0	1	241.356	0.766	20	30		BCEDMN
CCn1ccc(C(=O)N=C2C[C@H](C)ON2)n1	ZINC000843839856	645309717	/nfs/dbraw/zinc/30/97/17/645309717.db2.gz	HUJNWMDBKXIEJQ-ZETCQYMHSA-N	0	1	222.248	0.755	20	30		BCEDMN
C=CCn1cc(C(=O)NC2=NO[C@H](C)C2)nn1	ZINC000843840999	645311780	/nfs/dbraw/zinc/31/17/80/645311780.db2.gz	UJTSMRQTWNUREF-SSDOTTSWSA-N	0	1	235.247	0.316	20	30		BCEDMN
C#CCCCN1C[C@H](C)O[C@H](C(=O)OC)C1	ZINC000844419728	645329556	/nfs/dbraw/zinc/32/95/56/645329556.db2.gz	DOQFAEJLNWLWBW-QWRGUYRKSA-N	0	1	225.288	0.662	20	30		BCEDMN
C=C(C)CONC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000845608372	645371515	/nfs/dbraw/zinc/37/15/15/645371515.db2.gz	KCJFFYXSJVYWRM-SSDOTTSWSA-N	0	1	239.279	0.981	20	30		BCEDMN
CC[C@H](CC#N)NCCC(=O)N(C)OC	ZINC000846979929	645411584	/nfs/dbraw/zinc/41/15/84/645411584.db2.gz	DJPIYLKGJPPTDP-SECBINFHSA-N	0	1	213.281	0.678	20	30		BCEDMN
CC[C@@H]1COC[C@H]1N1CCN(CCC#N)CC1	ZINC000926807240	645438944	/nfs/dbraw/zinc/43/89/44/645438944.db2.gz	KBMMKZLPAXQNSQ-CHWSQXEVSA-N	0	1	237.347	0.943	20	30		BCEDMN
C[C@@H]1OC[C@H](N2CCN(CCC#N)CC2)[C@@H]1C	ZINC000926808440	645439351	/nfs/dbraw/zinc/43/93/51/645439351.db2.gz	QHOPEVOGSVSYFR-AGIUHOORSA-N	0	1	237.347	0.941	20	30		BCEDMN
CC[C@H]1COC[C@@H]1N1CCN(CCC#N)CC1	ZINC000926807243	645439554	/nfs/dbraw/zinc/43/95/54/645439554.db2.gz	KBMMKZLPAXQNSQ-STQMWFEESA-N	0	1	237.347	0.943	20	30		BCEDMN
CC#CC(=O)N[C@@H]1CCCN2CCSC[C@@H]12	ZINC000928087953	645699772	/nfs/dbraw/zinc/69/97/72/645699772.db2.gz	WRTBHOHFTMJQNS-MNOVXSKESA-N	0	1	238.356	0.706	20	30		BCEDMN
N#C[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000928217769	645714433	/nfs/dbraw/zinc/71/44/33/645714433.db2.gz	UATOJOPFROVCTP-MRVPVSSYSA-N	0	1	219.248	0.109	20	30		BCEDMN
C#CCC(C)(C)C(=O)NC[C@@H]1CCN1C	ZINC000928558384	645817687	/nfs/dbraw/zinc/81/76/87/645817687.db2.gz	KTPUWYBCLJWDPX-JTQLQIEISA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCC1(O)CCN([C@@H](CC)C(N)=O)CC1	ZINC000880479693	645832679	/nfs/dbraw/zinc/83/26/79/645832679.db2.gz	UGEHSOFLDDEIEM-JTQLQIEISA-N	0	1	224.304	0.101	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C	ZINC000928573472	645833659	/nfs/dbraw/zinc/83/36/59/645833659.db2.gz	OTESRVMSPROTFF-IJLUTSLNSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cccc(OCC)n1	ZINC000883123857	645847786	/nfs/dbraw/zinc/84/77/86/645847786.db2.gz	MYLKSTUYNHUAKB-LBPRGKRZSA-N	0	1	234.299	0.954	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H]2CC(C)=NO2)CC1	ZINC000928651025	645852945	/nfs/dbraw/zinc/85/29/45/645852945.db2.gz	KIHCJDZLTNKMDC-GFCCVEGCSA-N	0	1	249.314	0.365	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ccsn2)CC1	ZINC000928651630	645852989	/nfs/dbraw/zinc/85/29/89/645852989.db2.gz	XXNYEELEIGTPBN-UHFFFAOYSA-N	0	1	249.339	0.971	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2CCC=CO2)CC1	ZINC000928653867	645853674	/nfs/dbraw/zinc/85/36/74/645853674.db2.gz	DDDLSSNIXYYCBJ-ZDUSSCGKSA-N	0	1	248.326	0.893	20	30		BCEDMN
C#CCN1CCC(NC(=O)CCCCO)CC1	ZINC000928654041	645853828	/nfs/dbraw/zinc/85/38/28/645853828.db2.gz	LBHCEOTYZYUFIZ-UHFFFAOYSA-N	0	1	238.331	0.363	20	30		BCEDMN
C[C@@H](NCC(=O)NCCC#N)c1cccnc1	ZINC000035125523	645955721	/nfs/dbraw/zinc/95/57/21/645955721.db2.gz	PPJJOZHKIFIDSS-SNVBAGLBSA-N	0	1	232.287	0.762	20	30		BCEDMN
C#CCN(C[C@@H](O)CO)[C@@H]1CCc2ccccc21	ZINC000929336043	646085658	/nfs/dbraw/zinc/08/56/58/646085658.db2.gz	ZYSVGJJVOMDEKE-UKRRQHHQSA-N	0	1	245.322	0.962	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC(c2cn[nH]c2)CC1	ZINC000929448799	646122638	/nfs/dbraw/zinc/12/26/38/646122638.db2.gz	JLDUNAKATTUAHC-GFCCVEGCSA-N	0	1	234.303	0.864	20	30		BCEDMN
CN(C[C@H](O)CC#N)[C@H](CO)c1ccccc1	ZINC000929503729	646156852	/nfs/dbraw/zinc/15/68/52/646156852.db2.gz	KWCBEBAEBXHLBP-CHWSQXEVSA-N	0	1	234.299	0.926	20	30		BCEDMN
C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCN2C)C1=O	ZINC000925196919	646206581	/nfs/dbraw/zinc/20/65/81/646206581.db2.gz	POGTZXCXICSAGE-UWVGGRQHSA-N	0	1	237.303	0.577	20	30		BCEDMN
C[C@H]1CSCCN1C[C@H](O)CC#N	ZINC000929688251	646241991	/nfs/dbraw/zinc/24/19/91/646241991.db2.gz	KAVGBHKMYOZTCI-DTWKUNHWSA-N	0	1	200.307	0.698	20	30		BCEDMN
C#CCN(C(=O)NC[C@@H]1CCN1C)C(C)C	ZINC000925430699	646278032	/nfs/dbraw/zinc/27/80/32/646278032.db2.gz	BFIOUXKRRNLMIS-NSHDSACASA-N	0	1	223.320	0.744	20	30		BCEDMN
C#CC1CCN(C(=O)NC[C@@H]2CCN2C)CC1	ZINC000925430965	646278611	/nfs/dbraw/zinc/27/86/11/646278611.db2.gz	RJSMQUREHWKYDQ-LBPRGKRZSA-N	0	1	235.331	0.745	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCc2nn(C)c(=O)cc2C1	ZINC000929755189	646286610	/nfs/dbraw/zinc/28/66/10/646286610.db2.gz	LOTRSTLTXSRFQX-GFCCVEGCSA-N	0	1	249.314	0.075	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCOC2(CCOCC2)C1	ZINC000929851609	646360370	/nfs/dbraw/zinc/36/03/70/646360370.db2.gz	JMJDXHRCIREPLS-GFCCVEGCSA-N	0	1	241.331	0.805	20	30		BCEDMN
N#Cc1cncc(CNC2(C(N)=O)CCCC2)c1	ZINC000930001556	646389576	/nfs/dbraw/zinc/38/95/76/646389576.db2.gz	UZSORUWWUIRFLM-UHFFFAOYSA-N	0	1	244.298	0.841	20	30		BCEDMN
CC[C@@H](CO)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000930113218	646441068	/nfs/dbraw/zinc/44/10/68/646441068.db2.gz	BVKUKYYLDULGHW-STQMWFEESA-N	0	1	239.363	0.923	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC3(CC3)C2)CC1	ZINC000926456351	646645286	/nfs/dbraw/zinc/64/52/86/646645286.db2.gz	LWHXARWJGNYMTL-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCC#CCN(C)C	ZINC000913522350	711824135	/nfs/dbraw/zinc/82/41/35/711824135.db2.gz	FVRSHBQWPLUUAA-UHFFFAOYSA-N	0	1	230.258	0.879	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@]1(C)CCOC1	ZINC000913521106	711823941	/nfs/dbraw/zinc/82/39/41/711823941.db2.gz	LEDILECZPOPZNZ-GFCCVEGCSA-N	0	1	224.304	0.094	20	30		BCEDMN
C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C	ZINC001038094907	711840654	/nfs/dbraw/zinc/84/06/54/711840654.db2.gz	IKOOGELUCGNYBW-VXGBXAGGSA-N	0	1	237.347	0.457	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)C2CCC2)C1	ZINC001032856783	711965063	/nfs/dbraw/zinc/96/50/63/711965063.db2.gz	PRDLPCZKMZPKNT-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CC1(O)CCN(CC#CCOC)CC1	ZINC000707986352	712174642	/nfs/dbraw/zinc/17/46/42/712174642.db2.gz	KKFIELFEIMNBHR-UHFFFAOYSA-N	0	1	207.273	0.096	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)C1=NC(=O)N(C)C1	ZINC000708405155	712192973	/nfs/dbraw/zinc/19/29/73/712192973.db2.gz	DIKYJLARAOJLEF-QMMMGPOBSA-N	0	1	236.275	0.747	20	30		BCEDMN
CN1CC(C(=O)NCC(C)(C)C#N)=NC1=O	ZINC000708392172	712191746	/nfs/dbraw/zinc/19/17/46/712191746.db2.gz	KYPWXPVXKMLYOG-UHFFFAOYSA-N	0	1	222.248	0.405	20	30		BCEDMN
CN1CC(C(=O)N(CC#N)C2CC2)=NC1=O	ZINC000708410888	712193781	/nfs/dbraw/zinc/19/37/81/712193781.db2.gz	HYMHHJVXXWIQDZ-UHFFFAOYSA-N	0	1	220.232	0.254	20	30		BCEDMN
C=C[C@H](NC[C@@H]1CCN1CC)C(=O)OC	ZINC000710308989	712251111	/nfs/dbraw/zinc/25/11/11/712251111.db2.gz	HPLSZTDVQXYUEA-UWVGGRQHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1	ZINC001079392350	712347864	/nfs/dbraw/zinc/34/78/64/712347864.db2.gz	YQVPVPFGXGQSPF-UTUOFQBUSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CCNC(=O)CN1CCCO[C@H](C(C)C)C1	ZINC000378872974	712365513	/nfs/dbraw/zinc/36/55/13/712365513.db2.gz	SLOBNGPRQASLQN-LBPRGKRZSA-N	0	1	238.331	0.483	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C=C1CCC1	ZINC000379455395	712385097	/nfs/dbraw/zinc/38/50/97/712385097.db2.gz	MYRRXFHHWKZGLR-UWVGGRQHSA-N	0	1	205.261	0.324	20	30		BCEDMN
C=CC[C@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000715942486	712544733	/nfs/dbraw/zinc/54/47/33/712544733.db2.gz	JOBVTZIPROVGFD-RKDXNWHRSA-N	0	1	210.281	0.403	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000716623530	712567945	/nfs/dbraw/zinc/56/79/45/712567945.db2.gz	IALXASGQOQKCDF-VIFPVBQESA-N	0	1	221.260	0.141	20	30		BCEDMN
C#C[C@@H]1CCCN(CN2CCOC2=S)C1	ZINC000848492961	712609748	/nfs/dbraw/zinc/60/97/48/712609748.db2.gz	ICEJIZZVUSZMGX-SNVBAGLBSA-N	0	1	224.329	0.906	20	30		BCEDMN
CC(=NOCC(N)=O)c1ccc(N)cc1	ZINC000379905540	712623966	/nfs/dbraw/zinc/62/39/66/712623966.db2.gz	HYSPLLXWGJRHKD-UHFFFAOYSA-N	0	1	207.233	0.495	20	30		BCEDMN
C#CC(=O)N[C@H]1CCCN2CCSC[C@@H]12	ZINC000720459707	712844504	/nfs/dbraw/zinc/84/45/04/712844504.db2.gz	UMEQFPZYMFEYEH-UWVGGRQHSA-N	0	1	224.329	0.316	20	30		BCEDMN
CC/C=C(/C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000381499619	710648016	/nfs/dbraw/zinc/64/80/16/710648016.db2.gz	CBXLDTLLKFSJKZ-QPGUZKIZSA-N	0	1	207.277	0.570	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cnon1	ZINC001038841168	710708847	/nfs/dbraw/zinc/70/88/47/710708847.db2.gz	XGUMEGOYAGCJBG-SECBINFHSA-N	0	1	236.275	0.450	20	30		BCEDMN
CCC[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000393790634	710719852	/nfs/dbraw/zinc/71/98/52/710719852.db2.gz	LSPPANBBFUDXPJ-AEJSXWLSSA-N	0	1	209.293	0.650	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc2n1CCOC2	ZINC000722851022	710722316	/nfs/dbraw/zinc/72/23/16/710722316.db2.gz	OOVUBEPPWXQPPM-NSHDSACASA-N	0	1	249.314	0.277	20	30		BCEDMN
C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC	ZINC001039315060	710725114	/nfs/dbraw/zinc/72/51/14/710725114.db2.gz	YESKCVJVSZTUHV-NEPJUHHUSA-N	0	1	238.331	0.884	20	30		BCEDMN
C#CCN1CC[C@H]2CCN(C(=O)COC)C[C@@H]21	ZINC001041871759	710771582	/nfs/dbraw/zinc/77/15/82/710771582.db2.gz	FTHQSQONCRFEDG-RYUDHWBXSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1CC(N(C)C(=O)c2cc(C)[nH]n2)C1	ZINC001042507969	710789784	/nfs/dbraw/zinc/78/97/84/710789784.db2.gz	RTHDMCDHQKNEGZ-UHFFFAOYSA-N	0	1	232.287	0.108	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)C2=COCCC2)C1	ZINC001046181654	710854579	/nfs/dbraw/zinc/85/45/79/710854579.db2.gz	YAOHQFNIDMHSHC-AWEZNQCLSA-N	0	1	248.326	0.895	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@H]2CCOC2)C1	ZINC001046177316	710855401	/nfs/dbraw/zinc/85/54/01/710855401.db2.gz	IPBHAPMJXMLKBO-AAEUAGOBSA-N	0	1	236.315	0.237	20	30		BCEDMN
C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1	ZINC001047274106	710870675	/nfs/dbraw/zinc/87/06/75/710870675.db2.gz	YVFOEBWXHCDVBM-RYUDHWBXSA-N	0	1	238.331	0.476	20	30		BCEDMN
Cc1ccsc1C=NNC1=NCCN1	ZINC000383931561	710986529	/nfs/dbraw/zinc/98/65/29/710986529.db2.gz	YTGOPQGLNSHFNX-UHFFFAOYSA-N	0	1	208.290	0.939	20	30		BCEDMN
C[C@@H]1C[N@H+](CCOCCC#N)CCN1C	ZINC000385248245	711008832	/nfs/dbraw/zinc/00/88/32/711008832.db2.gz	RQVLTDKACZSDDE-LLVKDONJSA-N	0	1	211.309	0.553	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@@H+](C)[C@H](C)C1)C(=O)[O-]	ZINC000390210943	711108547	/nfs/dbraw/zinc/10/85/47/711108547.db2.gz	VCUAXTMNCPWWTQ-PSASIEDQSA-N	0	1	227.308	0.909	20	30		BCEDMN
C#Cc1ccc(CNCC(=O)NCC)cc1	ZINC000390443653	711117580	/nfs/dbraw/zinc/11/75/80/711117580.db2.gz	WNRVOFFKKDMZKR-UHFFFAOYSA-N	0	1	216.284	0.894	20	30		BCEDMN
CSC[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000390778931	711133907	/nfs/dbraw/zinc/13/39/07/711133907.db2.gz	HRPAZPWCQJCLTN-XHNCKOQMSA-N	0	1	227.333	0.213	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1nc(C)c[nH]1	ZINC001038790718	710705440	/nfs/dbraw/zinc/70/54/40/710705440.db2.gz	ABMZAODIHMTXNR-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#C[C@](C)(CC)NS(=O)(=O)c1ncc[nH]1	ZINC000384209230	710833685	/nfs/dbraw/zinc/83/36/85/710833685.db2.gz	OHPVGFNJJGAONI-SECBINFHSA-N	0	1	227.289	0.490	20	30		BCEDMN
CC#CCN1CC[C@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046165400	710852131	/nfs/dbraw/zinc/85/21/31/710852131.db2.gz	UCCIILQSVLBRCJ-ZDUSSCGKSA-N	0	1	246.314	0.627	20	30		BCEDMN
N#CCN1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1	ZINC001072497846	711378025	/nfs/dbraw/zinc/37/80/25/711378025.db2.gz	KBZOQSRPVDXXGA-UHFFFAOYSA-N	0	1	245.286	0.081	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnn(C)c2)C1	ZINC000969242629	711453553	/nfs/dbraw/zinc/45/35/53/711453553.db2.gz	JHIVJUZNKMYIGQ-JTQLQIEISA-N	0	1	248.330	0.656	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cncnc1	ZINC001038187561	711477086	/nfs/dbraw/zinc/47/70/86/711477086.db2.gz	ROSHUIWQDNDMQI-LBPRGKRZSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ncc[nH]1	ZINC001038231415	711560911	/nfs/dbraw/zinc/56/09/11/711560911.db2.gz	MKHOXFNMLAECRC-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cn(C)nn1	ZINC001038233175	711565849	/nfs/dbraw/zinc/56/58/49/711565849.db2.gz	CYBHLDVJZFLUSW-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C=C[C@H](CO)NC1CN(C(=O)OC(C)(C)C)C1	ZINC000717570346	711604798	/nfs/dbraw/zinc/60/47/98/711604798.db2.gz	IQQZXXYCULJIQC-SECBINFHSA-N	0	1	242.319	0.742	20	30		BCEDMN
C[C@H](O)CN(CCO)Cc1cncc(C#N)c1	ZINC000721539673	711620660	/nfs/dbraw/zinc/62/06/60/711620660.db2.gz	CBZKIGBZKOWAQN-JTQLQIEISA-N	0	1	235.287	0.128	20	30		BCEDMN
N#Cc1cncc(CN2CC[C@@H](CO)C2)c1	ZINC000721543850	711621390	/nfs/dbraw/zinc/62/13/90/711621390.db2.gz	ZCXXNXJBSYQNCD-SNVBAGLBSA-N	0	1	217.272	0.767	20	30		BCEDMN
C#CCCN1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1	ZINC001075472951	711646011	/nfs/dbraw/zinc/64/60/11/711646011.db2.gz	BUUQIKUNBJTODT-VHSXEESVSA-N	0	1	242.269	0.808	20	30		BCEDMN
CC#CCN1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1	ZINC001075474238	711646577	/nfs/dbraw/zinc/64/65/77/711646577.db2.gz	JJZGPKQHXCMIJJ-QWHCGFSZSA-N	0	1	232.327	0.952	20	30		BCEDMN
CNC(=O)[C@H]1CCN(Cc2cncc(C#N)c2)C1	ZINC000721626855	711671556	/nfs/dbraw/zinc/67/15/56/711671556.db2.gz	ZBTFXFPNPOTIBH-LBPRGKRZSA-N	0	1	244.298	0.521	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2cnn(C)c2)C1	ZINC001006713648	711728587	/nfs/dbraw/zinc/72/85/87/711728587.db2.gz	QPISYAPPYFKBNH-GFCCVEGCSA-N	0	1	248.330	0.800	20	30		BCEDMN
CC(C)(O)[C@@H]1CCN(CC(=O)NCCC#N)C1	ZINC000721836065	711779677	/nfs/dbraw/zinc/77/96/77/711779677.db2.gz	XPCYYJWPHHFCIT-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1	ZINC001075823251	711780998	/nfs/dbraw/zinc/78/09/98/711780998.db2.gz	CMGVMADBALUJHX-QWHCGFSZSA-N	0	1	243.310	0.794	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ccnn1C	ZINC001038111380	711798652	/nfs/dbraw/zinc/79/86/52/711798652.db2.gz	IPCQLXQEZXOAJF-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
N#CC1(CNC(=O)C2CN([C@H]3CCOC3)C2)CC1	ZINC000897635673	711798696	/nfs/dbraw/zinc/79/86/96/711798696.db2.gz	GOPLVBJTVCNAJQ-NSHDSACASA-N	0	1	249.314	0.127	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOCCO	ZINC000907483127	711815449	/nfs/dbraw/zinc/81/54/49/711815449.db2.gz	NIXWWYZQWXANQR-IUCAKERBSA-N	0	1	215.249	0.008	20	30		BCEDMN
CSCCC(=O)NCC#CCN(C)C	ZINC000913515109	711823263	/nfs/dbraw/zinc/82/32/63/711823263.db2.gz	JHGJQLROYORUCK-UHFFFAOYSA-N	0	1	214.334	0.421	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)c(C)n1C	ZINC000913515015	711823344	/nfs/dbraw/zinc/82/33/44/711823344.db2.gz	FVXYQDJZZGLCIQ-UHFFFAOYSA-N	0	1	247.342	0.937	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cc(Cl)c[nH]1	ZINC000913515586	711823650	/nfs/dbraw/zinc/82/36/50/711823650.db2.gz	DFZHXYBVCWWNAY-UHFFFAOYSA-N	0	1	239.706	0.963	20	30		BCEDMN
Cc1ncc(C(=O)NCC#CCN(C)C)[nH]1	ZINC000913518680	711823851	/nfs/dbraw/zinc/82/38/51/711823851.db2.gz	XEYLPVQZRWLDEU-UHFFFAOYSA-N	0	1	220.276	0.013	20	30		BCEDMN
Cc1cnccc1CC(=O)NCC#CCN(C)C	ZINC000913521048	711823890	/nfs/dbraw/zinc/82/38/90/711823890.db2.gz	JGVDRCPLVCYACD-UHFFFAOYSA-N	0	1	245.326	0.614	20	30		BCEDMN
CSC1(C(=O)NCC#CCN(C)C)CC1	ZINC000913521146	711824033	/nfs/dbraw/zinc/82/40/33/711824033.db2.gz	MPHOFNSPHKUEAF-UHFFFAOYSA-N	0	1	226.345	0.563	20	30		BCEDMN
COC[C@@H](C)[C@@H](C)C(=O)NCC#CCN(C)C	ZINC000913522309	711824145	/nfs/dbraw/zinc/82/41/45/711824145.db2.gz	CWOXULPDFZEHTP-VXGBXAGGSA-N	0	1	240.347	0.586	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cccn1C	ZINC001038056863	711824763	/nfs/dbraw/zinc/82/47/63/711824763.db2.gz	DIXKNBIQFLDMEN-GFCCVEGCSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C	ZINC001038590680	711890490	/nfs/dbraw/zinc/89/04/90/711890490.db2.gz	BELZZUKBBULJIP-GRYCIOLGSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)Cn2cccn2)C1	ZINC001032907683	711966776	/nfs/dbraw/zinc/96/67/76/711966776.db2.gz	XNMVGNYGSZEAIP-LBPRGKRZSA-N	0	1	248.330	0.602	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1	ZINC001032923509	711968130	/nfs/dbraw/zinc/96/81/30/711968130.db2.gz	FUFMQFUZWZFZKC-JTQLQIEISA-N	0	1	232.287	0.189	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1	ZINC001032944498	711968794	/nfs/dbraw/zinc/96/87/94/711968794.db2.gz	YPUMARQZLOWBGO-NWDGAFQWSA-N	0	1	236.315	0.189	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1	ZINC001032944262	711969016	/nfs/dbraw/zinc/96/90/16/711969016.db2.gz	WOUCXJJZPJRIBS-VXGBXAGGSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CCCN1CC[C@@H](N(C)C(=O)c2ccon2)C1	ZINC001032936248	711969196	/nfs/dbraw/zinc/96/91/96/711969196.db2.gz	WGYGRQMLEXIBAE-LLVKDONJSA-N	0	1	247.298	0.844	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1	ZINC001033070109	711973701	/nfs/dbraw/zinc/97/37/01/711973701.db2.gz	VZTSOJGXSNQSDD-JTQLQIEISA-N	0	1	234.303	0.742	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1	ZINC001033063442	711973710	/nfs/dbraw/zinc/97/37/10/711973710.db2.gz	BDWYIYYTRHTRKC-VHSXEESVSA-N	0	1	242.269	0.808	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1	ZINC001033327513	711983408	/nfs/dbraw/zinc/98/34/08/711983408.db2.gz	JLVJCYHLMFFYOI-TUAOUCFPSA-N	0	1	220.316	0.808	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001033337186	711984442	/nfs/dbraw/zinc/98/44/42/711984442.db2.gz	HFEMUSDTWADPQP-NDBYEHHHSA-N	0	1	248.326	0.045	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ccnnc2)C1	ZINC001033452640	711991906	/nfs/dbraw/zinc/99/19/06/711991906.db2.gz	KDRICNNVDSSMGP-GFCCVEGCSA-N	0	1	246.314	0.809	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1	ZINC001033516193	711999087	/nfs/dbraw/zinc/99/90/87/711999087.db2.gz	RHZUEJLYHDIACA-VIFPVBQESA-N	0	1	235.291	0.137	20	30		BCEDMN
C#CCCN(CCOC)C(=O)c1cc(C)[nH]n1	ZINC000700609812	711999566	/nfs/dbraw/zinc/99/95/66/711999566.db2.gz	UKQSKCNEGQMWFI-UHFFFAOYSA-N	0	1	235.287	0.830	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1	ZINC001033563397	712004494	/nfs/dbraw/zinc/00/44/94/712004494.db2.gz	WARHXFBTGGOFPR-JTQLQIEISA-N	0	1	249.318	0.066	20	30		BCEDMN
C#CCN1CC[C@H](N(CC)C(=O)C2CC2)C1	ZINC001033728241	712016013	/nfs/dbraw/zinc/01/60/13/712016013.db2.gz	LEROLHCHRZIWCV-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](OC(C)C)C1	ZINC000701673587	712026511	/nfs/dbraw/zinc/02/65/11/712026511.db2.gz	OWFISOBMAJTKNM-LLVKDONJSA-N	0	1	224.304	0.235	20	30		BCEDMN
N#Cc1cccc(CN[C@H]2CNOC2)c1	ZINC000703388146	712075139	/nfs/dbraw/zinc/07/51/39/712075139.db2.gz	BPAFFTPFUYHVCD-NSHDSACASA-N	0	1	203.245	0.551	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)COC)CC2	ZINC001035624501	712137817	/nfs/dbraw/zinc/13/78/17/712137817.db2.gz	DHSPCZCFKGNGDS-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)CC)CC2	ZINC001035630252	712138377	/nfs/dbraw/zinc/13/83/77/712138377.db2.gz	PEGFINXCKHHUGS-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@H]1NCC#N	ZINC001035937599	712150536	/nfs/dbraw/zinc/15/05/36/712150536.db2.gz	ZBXBKZAPCYTWCB-VHSXEESVSA-N	0	1	247.302	0.373	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@H]1NCC#N	ZINC001035937597	712150635	/nfs/dbraw/zinc/15/06/35/712150635.db2.gz	ZBXBKZAPCYTWCB-UWVGGRQHSA-N	0	1	247.302	0.373	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)C1=NC(=O)N(C)C1	ZINC000708334942	712188017	/nfs/dbraw/zinc/18/80/17/712188017.db2.gz	RTWKRWIBBPHBKP-MRVPVSSYSA-N	0	1	239.275	0.183	20	30		BCEDMN
C#CCCCCNC(=O)C1=NC(=O)N(C)C1	ZINC000708336462	712188364	/nfs/dbraw/zinc/18/83/64/712188364.db2.gz	FCFLKFUYUWKFGQ-UHFFFAOYSA-N	0	1	221.260	0.659	20	30		BCEDMN
CN1CC(C(=O)NCCCCC#N)=NC1=O	ZINC000708395864	712192396	/nfs/dbraw/zinc/19/23/96/712192396.db2.gz	JDVWFGHSKXVKIR-UHFFFAOYSA-N	0	1	222.248	0.549	20	30		BCEDMN
C#CCCCN(CC)CCS(C)(=O)=O	ZINC000708470757	712195550	/nfs/dbraw/zinc/19/55/50/712195550.db2.gz	VLISQIDJAKNQAQ-UHFFFAOYSA-N	0	1	217.334	0.766	20	30		BCEDMN
C=C[C@@H](NC[C@H]1CCN1CC)C(=O)OC	ZINC000710308984	712250695	/nfs/dbraw/zinc/25/06/95/712250695.db2.gz	HPLSZTDVQXYUEA-NXEZZACHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCCS(=O)(=O)N1CCC[C@H]1CN(C)C	ZINC000711065848	712278049	/nfs/dbraw/zinc/27/80/49/712278049.db2.gz	XLNRTJUBMLKHBS-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H](CF)C1	ZINC000711501153	712306481	/nfs/dbraw/zinc/30/64/81/712306481.db2.gz	CRAFENVXSZSPNL-JTQLQIEISA-N	0	1	212.268	0.417	20	30		BCEDMN
N#CC[C@@H]1CCCN(CCn2cnnn2)C1	ZINC000711943269	712339755	/nfs/dbraw/zinc/33/97/55/712339755.db2.gz	NCKHUGCVGONGGW-JTQLQIEISA-N	0	1	220.280	0.299	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1	ZINC001079391739	712347674	/nfs/dbraw/zinc/34/76/74/712347674.db2.gz	KXQLHYJFNFEZQN-UTUOFQBUSA-N	0	1	236.315	0.235	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1	ZINC001079649543	712349655	/nfs/dbraw/zinc/34/96/55/712349655.db2.gz	MYPFANXEFJBYDQ-NXEZZACHSA-N	0	1	249.318	0.051	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(F)F)C1	ZINC001079667084	712350024	/nfs/dbraw/zinc/35/00/24/712350024.db2.gz	LWRDGIVCYBSTCH-OPRDCNLKSA-N	0	1	242.269	0.711	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001080673514	712353661	/nfs/dbraw/zinc/35/36/61/712353661.db2.gz	SKLDKFWXUISDME-GHMZBOCLSA-N	0	1	246.314	0.022	20	30		BCEDMN
CCN1CC[C@H]1CNc1ccncc1C#N	ZINC000712593229	712435276	/nfs/dbraw/zinc/43/52/76/712435276.db2.gz	XCMVLWJJFCXZBJ-NSHDSACASA-N	0	1	216.288	0.881	20	30		BCEDMN
CC1CC(C#N)(C(=O)NC23CCN(CC2)C3)C1	ZINC000715508571	712524686	/nfs/dbraw/zinc/52/46/86/712524686.db2.gz	QGYHEUHWVLPBGG-UHFFFAOYSA-N	0	1	233.315	0.891	20	30		BCEDMN
C=CC[C@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000715942484	712544714	/nfs/dbraw/zinc/54/47/14/712544714.db2.gz	JOBVTZIPROVGFD-DTWKUNHWSA-N	0	1	210.281	0.403	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)[C@H](C)N(C)C)C1	ZINC000848282807	712609522	/nfs/dbraw/zinc/60/95/22/712609522.db2.gz	ZXQWFYZPDMTNBI-QWRGUYRKSA-N	0	1	208.305	0.808	20	30		BCEDMN
COCCCN(CCO)Cc1cncc(C#N)c1	ZINC000930250897	712615633	/nfs/dbraw/zinc/61/56/33/712615633.db2.gz	RQFUPTQRJLPGLP-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
C[C@H](O)[C@@H](O)CNCc1ccc(C#N)cc1F	ZINC000717272298	712642071	/nfs/dbraw/zinc/64/20/71/712642071.db2.gz	UUOLJXUGAYDQJJ-UFBFGSQYSA-N	0	1	238.262	0.529	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1c(F)cccc1F	ZINC000717438448	712657910	/nfs/dbraw/zinc/65/79/10/712657910.db2.gz	QDLMKZTURZBNGV-LLVKDONJSA-N	0	1	241.237	0.584	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(=O)[nH]c1	ZINC000717595854	712661034	/nfs/dbraw/zinc/66/10/34/712661034.db2.gz	QYELCDDGKMOSCT-UHFFFAOYSA-N	0	1	233.271	0.082	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(OC)ns1	ZINC000717711215	712666472	/nfs/dbraw/zinc/66/64/72/712666472.db2.gz	VNTHSKKPHDXDTQ-MRVPVSSYSA-N	0	1	226.301	0.626	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1n[nH]c2ccccc21	ZINC000717770032	712674828	/nfs/dbraw/zinc/67/48/28/712674828.db2.gz	NPSBSJAXOPJEJO-SECBINFHSA-N	0	1	243.266	0.677	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(OC)cc(C)n1	ZINC000717788095	712677793	/nfs/dbraw/zinc/67/77/93/712677793.db2.gz	ROTISTNVBNLFSW-NSHDSACASA-N	0	1	234.299	0.872	20	30		BCEDMN
C=CCC1(O)CCN(C(=O)CN(C)C)CC1	ZINC000717842211	712692325	/nfs/dbraw/zinc/69/23/25/712692325.db2.gz	OEECVBZGFCUNRC-UHFFFAOYSA-N	0	1	226.320	0.478	20	30		BCEDMN
Cc1cc(C#N)ccc1N1CCN(CCO)CC1	ZINC000037732957	712753078	/nfs/dbraw/zinc/75/30/78/712753078.db2.gz	SJKAKHIBLLRKLW-UHFFFAOYSA-N	0	1	245.326	0.981	20	30		BCEDMN
N#CCNC(=O)[C@H]1CCN1C1CCCC1	ZINC000602086249	349433624	/nfs/dbraw/zinc/43/36/24/349433624.db2.gz	OFZYTCCRPFZIPP-SNVBAGLBSA-N	0	1	207.277	0.643	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@@H](C)N(C)C	ZINC000602070840	349438775	/nfs/dbraw/zinc/43/87/75/349438775.db2.gz	HYTULMPGSDEVTE-NXEZZACHSA-N	0	1	211.309	0.945	20	30		BCEDMN
C[C@H](C(=O)NCC(C)(C)CC#N)N(C)C	ZINC000602159334	349465386	/nfs/dbraw/zinc/46/53/86/349465386.db2.gz	QVTCUXWWMYMYIT-SECBINFHSA-N	0	1	211.309	0.993	20	30		BCEDMN
N#CC1CN(C(=O)[C@H]2CCN2C2CCCC2)C1	ZINC000602160099	349465621	/nfs/dbraw/zinc/46/56/21/349465621.db2.gz	LEWBIWJCSRPZAA-GFCCVEGCSA-N	0	1	233.315	0.985	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)[C@H](C)CCO	ZINC000649864887	398146038	/nfs/dbraw/zinc/14/60/38/398146038.db2.gz	LNXXPDJNPHUNCH-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
CSC[C@H]1CCCN1CC(=O)NCC#N	ZINC000135477649	136214432	/nfs/dbraw/zinc/21/44/32/136214432.db2.gz	KXPUXPBUGYYWTB-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
C=C(C)CN1CCN(CCOCCOC)CC1	ZINC000649897220	398169372	/nfs/dbraw/zinc/16/93/72/398169372.db2.gz	NMTDZNBHKQDFDR-UHFFFAOYSA-N	0	1	242.363	0.843	20	30		BCEDMN
N#CCCCCNS(=O)(=O)c1ncc[nH]1	ZINC000380326933	343980549	/nfs/dbraw/zinc/98/05/49/343980549.db2.gz	MJVKRYRSHKSSHY-UHFFFAOYSA-N	0	1	228.277	0.382	20	30		BCEDMN
N#C[C@H]1CN(c2ncnc3nc[nH]c32)CCO1	ZINC000113197061	136216508	/nfs/dbraw/zinc/21/65/08/136216508.db2.gz	BCGIHJAPEDNZMZ-ZETCQYMHSA-N	0	1	230.231	0.082	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[N@H+](CC)[C@@H](C)C1	ZINC000649396028	398197819	/nfs/dbraw/zinc/19/78/19/398197819.db2.gz	SUFXROIKDPHYKU-RYUDHWBXSA-N	0	1	212.337	0.949	20	30		BCEDMN
C[C@@H]1CN(C(=O)C2(C#N)CCC2)CCN1	ZINC000602435146	349522219	/nfs/dbraw/zinc/52/22/19/349522219.db2.gz	TZVQKTAKZRWSEK-SECBINFHSA-N	0	1	207.277	0.501	20	30		BCEDMN
CN(CCCOc1cccc(C#N)c1)CC(N)=O	ZINC000037268526	361794084	/nfs/dbraw/zinc/79/40/84/361794084.db2.gz	GZZXQNPKUTWOGK-UHFFFAOYSA-N	0	1	247.298	0.744	20	30		BCEDMN
C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H](C)N1	ZINC000602433039	349536562	/nfs/dbraw/zinc/53/65/62/349536562.db2.gz	KNZVNZFWSLDNJV-AOOOYVTPSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@@H](NCCC#N)[C@H](C)N1CCOCC1	ZINC000576627750	365642000	/nfs/dbraw/zinc/64/20/00/365642000.db2.gz	CTOIWAPKIKWJFC-MNOVXSKESA-N	0	1	211.309	0.599	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(C)C(C)(C)C1	ZINC000301044942	349537970	/nfs/dbraw/zinc/53/79/70/349537970.db2.gz	NBCWKFAQQMCMEX-JTQLQIEISA-N	0	1	226.320	0.740	20	30		BCEDMN
Cc1ccc(C#N)c(NCc2nn[nH]n2)n1	ZINC000044931566	178364971	/nfs/dbraw/zinc/36/49/71/178364971.db2.gz	RMOWTAATVJGVHR-UHFFFAOYSA-N	0	1	215.220	0.387	20	30		BCEDMN
CCC(C#N)(CC)C(=O)NC[C@H]1COCCN1	ZINC000602550027	349591993	/nfs/dbraw/zinc/59/19/93/349591993.db2.gz	ICLCQAAJFFKNAE-JTQLQIEISA-N	0	1	239.319	0.421	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)[C@@H]1CCCN1C	ZINC000259754953	349604572	/nfs/dbraw/zinc/60/45/72/349604572.db2.gz	FOTFBSIAAXKESG-UWVGGRQHSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)C1(N(C)C)CC1	ZINC000613254205	361850518	/nfs/dbraw/zinc/85/05/18/361850518.db2.gz	WEUYMQWPHCOKGV-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000583331819	342735263	/nfs/dbraw/zinc/73/52/63/342735263.db2.gz	OUTZKZDZMGGNBT-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C#N)C1	ZINC000583331982	342735312	/nfs/dbraw/zinc/73/53/12/342735312.db2.gz	SXZIQJKOBQYWGY-VIFPVBQESA-N	0	1	232.287	0.960	20	30		BCEDMN
COCCN1CCCN(C(=O)[C@@H](C)C#N)CC1	ZINC000331886733	398313227	/nfs/dbraw/zinc/31/32/27/398313227.db2.gz	ORZLJATWPNPNEK-NSHDSACASA-N	0	1	239.319	0.327	20	30		BCEDMN
C[C@H]1CN(c2cc(C#N)ccn2)CCN1CCO	ZINC000343040334	342907932	/nfs/dbraw/zinc/90/79/32/342907932.db2.gz	FUMQAKHWGPNCQY-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
C[C@@H]1CN(c2ccnc(C#N)c2)CCN1CCO	ZINC000343047687	342908289	/nfs/dbraw/zinc/90/82/89/342908289.db2.gz	NZJDNPBGAAUYCV-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C=CCC[C@H](O)CN1CCc2n[nH]nc2C1	ZINC000351610066	136248280	/nfs/dbraw/zinc/24/82/80/136248280.db2.gz	USZURQPRWJBJMW-VIFPVBQESA-N	0	1	222.292	0.490	20	30		BCEDMN
C[C@H](Cn1cncn1)NCC1(C#N)CC1	ZINC000602643758	349656142	/nfs/dbraw/zinc/65/61/42/349656142.db2.gz	SUEJMLSMQPIECN-SECBINFHSA-N	0	1	205.265	0.560	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@@H](O)C1	ZINC000351813727	136254806	/nfs/dbraw/zinc/25/48/06/136254806.db2.gz	RPTKXLIOBMQSES-VWYCJHECSA-N	0	1	239.319	0.060	20	30		BCEDMN
C[C@H](CCC#N)C[N@H+]1CCN2C[C@H](O)C[C@H]2C1	ZINC000602704608	349698582	/nfs/dbraw/zinc/69/85/82/349698582.db2.gz	IAZKRKPYIAKCDR-FRRDWIJNSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCCN1CCN(c2nccnn2)CC1	ZINC000625638781	344022527	/nfs/dbraw/zinc/02/25/27/344022527.db2.gz	MKZRLEXFJGBKIR-UHFFFAOYSA-N	0	1	219.292	0.570	20	30		BCEDMN
C[C@@H](CC#N)NC[C@@H](O)Cn1cccn1	ZINC000602861944	349773603	/nfs/dbraw/zinc/77/36/03/349773603.db2.gz	JTQPQIVOWFYRFH-VHSXEESVSA-N	0	1	208.265	0.136	20	30		BCEDMN
C[C@@H]1CN(Cc2cnc[nH]2)C[C@@H](C)N1CC#N	ZINC000602848202	349783918	/nfs/dbraw/zinc/78/39/18/349783918.db2.gz	FLDHKFSSZBRDLB-GHMZBOCLSA-N	0	1	233.319	0.828	20	30		BCEDMN
COC(=O)CCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602854875	349787873	/nfs/dbraw/zinc/78/78/73/349787873.db2.gz	DDWJPJJZADLMIN-QWRGUYRKSA-N	0	1	239.319	0.468	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856349	349788939	/nfs/dbraw/zinc/78/89/39/349788939.db2.gz	ZIFYUKRFVINEFE-AVGNSLFASA-N	0	1	237.347	0.842	20	30		BCEDMN
Cc1nc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)n[nH]1	ZINC000602849207	349784501	/nfs/dbraw/zinc/78/45/01/349784501.db2.gz	JVBIRIXHIFOWGI-UWVGGRQHSA-N	0	1	248.334	0.531	20	30		BCEDMN
C=CCN1CC[C@H](N(CC)[C@H]2CCOC2)C1=O	ZINC000361595954	136268722	/nfs/dbraw/zinc/26/87/22/136268722.db2.gz	PZWIPEHKOUGYSO-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
CC#CCN1CCC[C@H](n2cnc(C(N)=O)n2)C1	ZINC000299739390	136273037	/nfs/dbraw/zinc/27/30/37/136273037.db2.gz	NVKOAUMECDAGON-JTQLQIEISA-N	0	1	247.302	0.037	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)OC[C@@H]2C1	ZINC000366300295	136280536	/nfs/dbraw/zinc/28/05/36/136280536.db2.gz	YSBSQYFOXOTVJK-WDEREUQCSA-N	0	1	240.303	0.450	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)OC[C@H]2C1	ZINC000366300291	136280590	/nfs/dbraw/zinc/28/05/90/136280590.db2.gz	YSBSQYFOXOTVJK-MNOVXSKESA-N	0	1	240.303	0.450	20	30		BCEDMN
C[C@@H](CC#N)NC[C@@H](O)CC1(O)CCC1	ZINC000602871732	349803838	/nfs/dbraw/zinc/80/38/38/349803838.db2.gz	VKTSJIDIMYTIDN-UWVGGRQHSA-N	0	1	212.293	0.544	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](C)[C@H](CO)C1	ZINC000621363322	343265157	/nfs/dbraw/zinc/26/51/57/343265157.db2.gz	MSRQKWKNAGSOKT-QWRGUYRKSA-N	0	1	226.320	0.239	20	30		BCEDMN
CC[N@@H+]1[C@H](C)CN(CC(=O)NCC#N)C[C@@H]1C	ZINC000602874065	349805927	/nfs/dbraw/zinc/80/59/27/349805927.db2.gz	ODROGXUKVZTRIF-PHIMTYICSA-N	0	1	238.335	0.041	20	30		BCEDMN
C=CCNC(=O)CN1CC(C)(C)CC[C@H]1CO	ZINC000621378300	343381491	/nfs/dbraw/zinc/38/14/91/343381491.db2.gz	SWPLRLXANPEUTK-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc([C@H](C)NC)nn1	ZINC000641083429	362204090	/nfs/dbraw/zinc/20/40/90/362204090.db2.gz	BLKULAMLFZWLPL-WPRPVWTQSA-N	0	1	210.281	0.668	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc(CNC2CC2)nn1	ZINC000641084774	362207214	/nfs/dbraw/zinc/20/72/14/362207214.db2.gz	RYALOVCOQNBHQA-NSHDSACASA-N	0	1	222.292	0.640	20	30		BCEDMN
O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCn2cncc2C1	ZINC000329541733	136365799	/nfs/dbraw/zinc/36/57/99/136365799.db2.gz	DNQIIRJMWAQGDG-URLYPYJESA-N	0	1	248.286	0.258	20	30		BCEDMN
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC1	ZINC000329600564	136366577	/nfs/dbraw/zinc/36/65/77/136366577.db2.gz	KEFLJIQSMVIQPQ-MRVPVSSYSA-N	0	1	220.276	0.887	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2ccncc2)CC1	ZINC000040221756	187263413	/nfs/dbraw/zinc/26/34/13/187263413.db2.gz	WTYOCPGMVIDERI-UHFFFAOYSA-N	0	1	244.298	0.799	20	30		BCEDMN
CCc1nc(NC(=O)c2ccc(C#N)nc2)n[nH]1	ZINC000479103642	529744024	/nfs/dbraw/zinc/74/40/24/529744024.db2.gz	JFCZSUOSZDIADG-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2ccc(C#N)nc2)n1	ZINC000479103642	529744025	/nfs/dbraw/zinc/74/40/25/529744025.db2.gz	JFCZSUOSZDIADG-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
N#Cc1cnc(N[C@H]2CC[N@H+](C3CC3)C2)cn1	ZINC000071178038	343625326	/nfs/dbraw/zinc/62/53/26/343625326.db2.gz	YRJCSCMAEPKBGC-VIFPVBQESA-N	0	1	229.287	0.997	20	30		BCEDMN
CC(C)N1CCN(c2cnc(C#N)cn2)CC1	ZINC000071178818	343625355	/nfs/dbraw/zinc/62/53/55/343625355.db2.gz	QHYJVGINISBUQH-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
CO[C@H]1C[N@@H+](CC2(C#N)CC2)[C@@](C)(CO)C1	ZINC000602964238	349827324	/nfs/dbraw/zinc/82/73/24/349827324.db2.gz	NQUOHTPDPJBAKG-GHMZBOCLSA-N	0	1	224.304	0.762	20	30		BCEDMN
CO[C@H]1CN(CC2(C#N)CC2)[C@@](C)(CO)C1	ZINC000602964238	349827326	/nfs/dbraw/zinc/82/73/26/349827326.db2.gz	NQUOHTPDPJBAKG-GHMZBOCLSA-N	0	1	224.304	0.762	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N(C)Cc1cn[nH]c1C	ZINC000602943135	349825478	/nfs/dbraw/zinc/82/54/78/349825478.db2.gz	PCGZQPQUNYFJMT-JTQLQIEISA-N	0	1	223.276	0.878	20	30		BCEDMN
CO[C@@H]1C[N@@H+](CCOCCC#N)[C@@](C)(CO)C1	ZINC000602963800	349826411	/nfs/dbraw/zinc/82/64/11/349826411.db2.gz	IPLATKFCDYXLTD-NWDGAFQWSA-N	0	1	242.319	0.388	20	30		BCEDMN
CCCN1CCN(c2ccnc(C#N)n2)CC1	ZINC000380045846	343673124	/nfs/dbraw/zinc/67/31/24/343673124.db2.gz	TXUKXJALGMOUHS-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
C[C@@H](C#N)CN(C)S(=O)(=O)c1ncc[nH]1	ZINC000380081282	343677637	/nfs/dbraw/zinc/67/76/37/343677637.db2.gz	GLJNBXLFFAOHQW-ZETCQYMHSA-N	0	1	228.277	0.190	20	30		BCEDMN
CNC(=O)[C@@H]1CCCCN1CCOCCC#N	ZINC000338952216	343692422	/nfs/dbraw/zinc/69/24/22/343692422.db2.gz	CWVYDVBJFKXEKH-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
CNC(=O)[C@H]1CCCCN1CCOCCC#N	ZINC000338952215	343692820	/nfs/dbraw/zinc/69/28/20/343692820.db2.gz	CWVYDVBJFKXEKH-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C[C@H](CC#N)NCCN1CCO[C@@H](C)C1	ZINC000380115108	343680954	/nfs/dbraw/zinc/68/09/54/343680954.db2.gz	PHJFXUPVMCERPB-MNOVXSKESA-N	0	1	211.309	0.599	20	30		BCEDMN
C=CC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000625700875	344040241	/nfs/dbraw/zinc/04/02/41/344040241.db2.gz	FMKARKKSDRVZHF-VIFPVBQESA-N	0	1	222.292	0.506	20	30		BCEDMN
C=CC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000625700875	344040244	/nfs/dbraw/zinc/04/02/44/344040244.db2.gz	FMKARKKSDRVZHF-VIFPVBQESA-N	0	1	222.292	0.506	20	30		BCEDMN
CN[C@@H](C)c1cn(CC2(C#N)CC2)nn1	ZINC000603226484	349889065	/nfs/dbraw/zinc/88/90/65/349889065.db2.gz	BQWROMOHTVCTNB-QMMMGPOBSA-N	0	1	205.265	0.862	20	30		BCEDMN
C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(C#N)n(C)c1	ZINC000334745769	343905013	/nfs/dbraw/zinc/90/50/13/343905013.db2.gz	ADVSXVVYVVYKFO-CABZTGNLSA-N	0	1	219.288	0.852	20	30		BCEDMN
C=CCC[C@@H](O)Cn1cc(CNC)nn1	ZINC000641211999	362272750	/nfs/dbraw/zinc/27/27/50/362272750.db2.gz	DTIDJZWIEWJIPV-SNVBAGLBSA-N	0	1	210.281	0.325	20	30		BCEDMN
Cc1cc(CC(=O)Nc2n[nH]c(C)c2C#N)n[nH]1	ZINC000588715521	344174922	/nfs/dbraw/zinc/17/49/22/344174922.db2.gz	OVEWVWJJHHLSIP-UHFFFAOYSA-N	0	1	244.258	0.803	20	30		BCEDMN
COC[C@H](CO)NCc1cc(C#N)cs1	ZINC000234786002	344256903	/nfs/dbraw/zinc/25/69/03/344256903.db2.gz	GKIKOORMXJOMPO-VIFPVBQESA-N	0	1	226.301	0.717	20	30		BCEDMN
COC(=O)COCCNC[C@H](C#N)CCC#N	ZINC000600613989	344336789	/nfs/dbraw/zinc/33/67/89/344336789.db2.gz	OTOMSAYFTPOEFK-JTQLQIEISA-N	0	1	239.275	0.209	20	30		BCEDMN
C[C@H](C#N)CNC[C@@H](O)CC1(C#N)CC1	ZINC000600727698	344364199	/nfs/dbraw/zinc/36/41/99/344364199.db2.gz	QHVQVMIJIJHIPM-ZJUUUORDSA-N	0	1	207.277	0.790	20	30		BCEDMN
CN1CCOC[C@@H]1CNC[C@H](C#N)CCC#N	ZINC000600755246	344369341	/nfs/dbraw/zinc/36/93/41/344369341.db2.gz	IOCBHEWHPAYNGP-RYUDHWBXSA-N	0	1	236.319	0.350	20	30		BCEDMN
C[C@@H](NC(=O)c1cc(C#N)cn1C)c1nnc[nH]1	ZINC000176208528	344377806	/nfs/dbraw/zinc/37/78/06/344377806.db2.gz	WNZQCWITJRVDDD-SSDOTTSWSA-N	0	1	244.258	0.506	20	30		BCEDMN
C[C@H](CC#N)NC(=O)CN(C)C1CCC1	ZINC000600817849	344379579	/nfs/dbraw/zinc/37/95/79/344379579.db2.gz	YPHWFWRQRWRRTA-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
COC[C@@H](CO)NCc1cc(C#N)cs1	ZINC000234866590	344403202	/nfs/dbraw/zinc/40/32/02/344403202.db2.gz	GKIKOORMXJOMPO-SECBINFHSA-N	0	1	226.301	0.717	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)N2CCc3nc[nH]c3C2)c1	ZINC000590378229	347051286	/nfs/dbraw/zinc/05/12/86/347051286.db2.gz	HESWUDWKHZCTBG-UHFFFAOYSA-N	0	1	241.254	0.808	20	30		BCEDMN
N#Cc1cc(CN2CCC(C(N)=O)CC2)ccn1	ZINC000068765495	344492794	/nfs/dbraw/zinc/49/27/94/344492794.db2.gz	ZQFZPKCUARZSOS-UHFFFAOYSA-N	0	1	244.298	0.651	20	30		BCEDMN
C[C@@H](CC(N)=O)NCc1ccc(C#N)o1	ZINC000135518038	344530365	/nfs/dbraw/zinc/53/03/65/344530365.db2.gz	JOJWMZJNOMWNLZ-ZETCQYMHSA-N	0	1	207.233	0.505	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)CCSC	ZINC000152449008	344536167	/nfs/dbraw/zinc/53/61/67/344536167.db2.gz	NWLUUJNCMZTVMS-UHFFFAOYSA-N	0	1	245.348	0.293	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@@H]1CCCCN1C	ZINC000259843558	344694434	/nfs/dbraw/zinc/69/44/34/344694434.db2.gz	FMKWJLCCPVHXPN-UWVGGRQHSA-N	0	1	209.293	0.889	20	30		BCEDMN
CC(C)CCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000583381068	344856721	/nfs/dbraw/zinc/85/67/21/344856721.db2.gz	VOELKEKECABIBT-UHFFFAOYSA-N	0	1	221.260	0.844	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(OC)CC1	ZINC000042567608	344868356	/nfs/dbraw/zinc/86/83/56/344868356.db2.gz	AMWGCIWRIPICBZ-SNVBAGLBSA-N	0	1	224.304	0.235	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCCc2nc[nH]n2)[nH]1	ZINC000583388090	344871331	/nfs/dbraw/zinc/87/13/31/344871331.db2.gz	HLZWHTIRMDUBLF-UHFFFAOYSA-N	0	1	244.258	0.367	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H](CO)OC[C@H]1C	ZINC000153477327	344885150	/nfs/dbraw/zinc/88/51/50/344885150.db2.gz	DUJSWDPFERMVFC-UTUOFQBUSA-N	0	1	229.320	0.395	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000408260701	344962033	/nfs/dbraw/zinc/96/20/33/344962033.db2.gz	IGINCXKHIQSDNN-JTQLQIEISA-N	0	1	249.274	0.152	20	30		BCEDMN
CN1CCN(Cc2cccc(C#N)n2)CC1	ZINC000260712056	345379523	/nfs/dbraw/zinc/37/95/23/345379523.db2.gz	BQJGXJHVOLJUSL-UHFFFAOYSA-N	0	1	216.288	0.701	20	30		BCEDMN
CCc1nc(CN2CCO[C@H](C#N)C2)n[nH]1	ZINC000158437406	345329217	/nfs/dbraw/zinc/32/92/17/345329217.db2.gz	LXIWYWDKPYCNER-MRVPVSSYSA-N	0	1	221.264	0.091	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCCc1nc[nH]n1	ZINC000136260733	345494046	/nfs/dbraw/zinc/49/40/46/345494046.db2.gz	ANQJDAFGVXYGIP-JTQLQIEISA-N	0	1	221.264	0.403	20	30		BCEDMN
C=CCCCN1CCN(C(=O)NC)CC1	ZINC000084715546	345520192	/nfs/dbraw/zinc/52/01/92/345520192.db2.gz	AXODTAXMGSAALU-UHFFFAOYSA-N	0	1	211.309	0.910	20	30		BCEDMN
CC(C)(C#N)N1CC[C@H](c2nc[nH]n2)C1	ZINC000332396004	534999612	/nfs/dbraw/zinc/99/96/12/534999612.db2.gz	SWGYHBHHCORLDJ-QMMMGPOBSA-N	0	1	205.265	0.896	20	30		BCEDMN
CC#CCN[C@@H]1CCO[C@@H]1c1nc(C)no1	ZINC000626143802	345726149	/nfs/dbraw/zinc/72/61/49/345726149.db2.gz	GDPSFWGVCHVVTR-ZJUUUORDSA-N	0	1	221.260	0.821	20	30		BCEDMN
C#C[C@H](C)NCc1ccc(C(=O)OC)[nH]1	ZINC000166458320	166216678	/nfs/dbraw/zinc/21/66/78/166216678.db2.gz	UJSNLLWAMOELNA-QMMMGPOBSA-N	0	1	206.245	0.913	20	30		BCEDMN
CN1CCN(Cc2ccncc2C#N)CC1	ZINC000261315838	345796317	/nfs/dbraw/zinc/79/63/17/345796317.db2.gz	BHRQQAZTQDHDOR-UHFFFAOYSA-N	0	1	216.288	0.701	20	30		BCEDMN
Cc1cc(C#N)ccc1CN1C[C@H](O)[C@@H](O)C1	ZINC000235763158	345852898	/nfs/dbraw/zinc/85/28/98/345852898.db2.gz	VADVANXIAFIGNW-STQMWFEESA-N	0	1	232.283	0.404	20	30		BCEDMN
C=CCCCN(C)C(=O)CCCc1nn[nH]n1	ZINC000635583858	345879469	/nfs/dbraw/zinc/87/94/69/345879469.db2.gz	JSBWUVWOIODTRM-UHFFFAOYSA-N	0	1	237.307	0.947	20	30		BCEDMN
C=C(C)COCCNC(=O)[C@@H](C)N(C)C	ZINC000635689771	345974074	/nfs/dbraw/zinc/97/40/74/345974074.db2.gz	OBIQRTSPCCXFON-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCSCCNC(=O)CCc1nn[nH]n1	ZINC000601019164	345996694	/nfs/dbraw/zinc/99/66/94/345996694.db2.gz	DKJCYYDWIJZVFE-UHFFFAOYSA-N	0	1	241.320	0.168	20	30		BCEDMN
CC#CCNC(=O)C(C)(C)CN1CCOCC1	ZINC000635747384	346047154	/nfs/dbraw/zinc/04/71/54/346047154.db2.gz	QNHWNVFWMPKNTK-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=C(CC)CNC(=O)CCCc1nn[nH]n1	ZINC000636007440	346148887	/nfs/dbraw/zinc/14/88/87/346148887.db2.gz	VFRJWVXZJVAIES-UHFFFAOYSA-N	0	1	223.280	0.605	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601134958	346230152	/nfs/dbraw/zinc/23/01/52/346230152.db2.gz	OKWLGBAGECRLCG-SSDOTTSWSA-N	0	1	207.237	0.012	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601134294	346219792	/nfs/dbraw/zinc/21/97/92/346219792.db2.gz	FFDFGHWEDRXDOF-SECBINFHSA-N	0	1	221.264	0.402	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601134294	346219796	/nfs/dbraw/zinc/21/97/96/346219796.db2.gz	FFDFGHWEDRXDOF-SECBINFHSA-N	0	1	221.264	0.402	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1snnc1C	ZINC000641767605	362702519	/nfs/dbraw/zinc/70/25/19/362702519.db2.gz	MPLLGWWAPAAUDQ-VIFPVBQESA-N	0	1	225.317	0.710	20	30		BCEDMN
N#CCCCNc1ccncc1C(N)=O	ZINC000380024357	365812508	/nfs/dbraw/zinc/81/25/08/365812508.db2.gz	XUIJNSDPVQIZLN-UHFFFAOYSA-N	0	1	204.233	0.318	20	30		BCEDMN
CN1CCN(CCNc2cncc(C#N)n2)CC1	ZINC000401226523	346490317	/nfs/dbraw/zinc/49/03/17/346490317.db2.gz	XSSHGXPYWLQBSL-UHFFFAOYSA-N	0	1	246.318	0.008	20	30		BCEDMN
CC[C@@H](CC#N)NCCCS(=O)(=O)N(C)C	ZINC000577121614	365825225	/nfs/dbraw/zinc/82/52/25/365825225.db2.gz	GQPLXVRATUHJQF-JTQLQIEISA-N	0	1	247.364	0.550	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H]2CCC[C@@H]21	ZINC000491122064	346587608	/nfs/dbraw/zinc/58/76/08/346587608.db2.gz	SXWNFICGSMOFTP-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
CCn1ncc(C#N)c1NS(C)(=O)=O	ZINC000187763788	346607660	/nfs/dbraw/zinc/60/76/60/346607660.db2.gz	GLCYIZPISNAVPD-UHFFFAOYSA-N	0	1	214.250	0.146	20	30		BCEDMN
CN(CC[NH+](C)C)C(=O)c1cc([O-])cc(C#N)c1	ZINC000589188941	346672280	/nfs/dbraw/zinc/67/22/80/346672280.db2.gz	SBRSOEYXIWLHOK-UHFFFAOYSA-N	0	1	247.298	0.897	20	30		BCEDMN
C[N@H+]1CCN(c2cncc(C#N)n2)CC1(C)C	ZINC000401351425	346636485	/nfs/dbraw/zinc/63/64/85/346636485.db2.gz	XTYDPDJNHDLSTN-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
CN1CCN(c2cncc(C#N)n2)CC1(C)C	ZINC000401351425	346636488	/nfs/dbraw/zinc/63/64/88/346636488.db2.gz	XTYDPDJNHDLSTN-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
N#CCNC(=O)CN1CCC(C2CC2)CC1	ZINC000590008147	346762670	/nfs/dbraw/zinc/76/26/70/346762670.db2.gz	GJQOQUOKLJECII-UHFFFAOYSA-N	0	1	221.304	0.748	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1ccc(C#N)nn1	ZINC000590146881	346781084	/nfs/dbraw/zinc/78/10/84/346781084.db2.gz	SLLOSTLOQXYZKQ-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000590433391	347107248	/nfs/dbraw/zinc/10/72/48/347107248.db2.gz	KGVIEVBKMSGHAO-YUMQZZPRSA-N	0	1	233.275	0.643	20	30		BCEDMN
C#CCN1C[C@@H](OC)C[C@H]1CC(=O)OCC	ZINC000364327065	347374349	/nfs/dbraw/zinc/37/43/49/347374349.db2.gz	XKRQNYCIEVLUGS-QWRGUYRKSA-N	0	1	225.288	0.662	20	30		BCEDMN
C#CCN1C[C@@H](OC)C[C@@H]1CC(=O)OCC	ZINC000364327064	347374722	/nfs/dbraw/zinc/37/47/22/347374722.db2.gz	XKRQNYCIEVLUGS-MNOVXSKESA-N	0	1	225.288	0.662	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@]1(N(C)C)CCCSC1	ZINC000364415818	347418884	/nfs/dbraw/zinc/41/88/84/347418884.db2.gz	DWEYMFOXMUUWOI-PWSUYJOCSA-N	0	1	240.372	0.952	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000616224076	347419535	/nfs/dbraw/zinc/41/95/35/347419535.db2.gz	QSRKQVAINBFIMX-SSDOTTSWSA-N	0	1	238.291	0.265	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(Cc2c[nH]nn2)CC1	ZINC000590709356	347498886	/nfs/dbraw/zinc/49/88/86/347498886.db2.gz	LAEYLIUZKGITTH-GFCCVEGCSA-N	0	1	248.334	0.470	20	30		BCEDMN
C[C@@H]1C[C@]1(C#N)C(=O)NCCN1CC=CCC1	ZINC000590751167	347503527	/nfs/dbraw/zinc/50/35/27/347503527.db2.gz	NXDVGHUEMHUALU-DGCLKSJQSA-N	0	1	233.315	0.914	20	30		BCEDMN
COC[C@@H](C)OC[C@H](O)CNCC(C)(C)C#N	ZINC000591759618	347692807	/nfs/dbraw/zinc/69/28/07/347692807.db2.gz	QCKNYRNOOGQVHO-GHMZBOCLSA-N	0	1	244.335	0.538	20	30		BCEDMN
N#Cc1cncc(N2CCc3cn[nH]c3C2)n1	ZINC000591925385	347719468	/nfs/dbraw/zinc/71/94/68/347719468.db2.gz	NEDRHUOEIBTULR-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@@](O)(CC#N)C1	ZINC000592150611	347741938	/nfs/dbraw/zinc/74/19/38/347741938.db2.gz	FBUOESLIQKJQQT-MNOVXSKESA-N	0	1	210.277	0.274	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCOCC2CC2)C1	ZINC000592152180	347743166	/nfs/dbraw/zinc/74/31/66/347743166.db2.gz	VJTZNJFINXEPHE-GFCCVEGCSA-N	0	1	224.304	0.763	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCOC2CCC2)C1	ZINC000592155245	347745084	/nfs/dbraw/zinc/74/50/84/347745084.db2.gz	ZFASBPREPOTGFB-GFCCVEGCSA-N	0	1	224.304	0.906	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCOC2CCC2)C1	ZINC000592155247	347745498	/nfs/dbraw/zinc/74/54/98/347745498.db2.gz	ZFASBPREPOTGFB-LBPRGKRZSA-N	0	1	224.304	0.906	20	30		BCEDMN
N#CCCNC[C@H](CO)Cc1ccco1	ZINC000592430803	347785889	/nfs/dbraw/zinc/78/58/89/347785889.db2.gz	GOHZMGRYHQOVID-SNVBAGLBSA-N	0	1	208.261	0.934	20	30		BCEDMN
Cc1cncc(CCN2CC[C@](O)(CC#N)C2)n1	ZINC000593034020	347842450	/nfs/dbraw/zinc/84/24/50/347842450.db2.gz	BJYWGRJVXQYJRR-CYBMUJFWSA-N	0	1	246.314	0.678	20	30		BCEDMN
N#CCCCCN1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC000593098340	347855112	/nfs/dbraw/zinc/85/51/12/347855112.db2.gz	VZITXQJCKNDNFX-BHDSKKPTSA-N	0	1	212.318	0.885	20	30		BCEDMN
C=CCOCCN1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC000593098800	347856187	/nfs/dbraw/zinc/85/61/87/347856187.db2.gz	DPANASHPZPBOIG-BHDSKKPTSA-N	0	1	215.318	0.394	20	30		BCEDMN
COCCN1CCN(CC#N)C(C)(C)C1	ZINC000593101832	347857429	/nfs/dbraw/zinc/85/74/29/347857429.db2.gz	ZZGJYMIPFMDRQM-UHFFFAOYSA-N	0	1	211.309	0.553	20	30		BCEDMN
C=CCCN1C[C@H](C)O[C@H](C(=O)OC)C1	ZINC000593087881	347863890	/nfs/dbraw/zinc/86/38/90/347863890.db2.gz	UZVHGVPDPQOXIL-UWVGGRQHSA-N	0	1	213.277	0.825	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](C)CS(C)(=O)=O	ZINC000577385671	365941574	/nfs/dbraw/zinc/94/15/74/365941574.db2.gz	MKBVVMMIHPCXHV-VHSXEESVSA-N	0	1	232.349	0.949	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000593547072	347910131	/nfs/dbraw/zinc/91/01/31/347910131.db2.gz	RRWBDIKMVZACBS-RKDXNWHRSA-N	0	1	248.290	0.455	20	30		BCEDMN
N#Cc1csc(CN[C@H]2C[C@@H](C(N)=O)C2)n1	ZINC000593669644	347924576	/nfs/dbraw/zinc/92/45/76/347924576.db2.gz	ADDWJHSYILEHFS-KNVOCYPGSA-N	0	1	236.300	0.368	20	30		BCEDMN
COC(=O)[C@@H](CCF)NC(=O)C(C)C#N	ZINC000593800732	347948756	/nfs/dbraw/zinc/94/87/56/347948756.db2.gz	IVIQQOUIUYXZHT-NKWVEPMBSA-N	0	1	216.212	0.163	20	30		BCEDMN
CNC(=O)[C@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000594013967	347989136	/nfs/dbraw/zinc/98/91/36/347989136.db2.gz	BJRKBJYOBCXQBG-NSHDSACASA-N	0	1	244.298	0.521	20	30		BCEDMN
N#Cc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)nc1	ZINC000593990819	347980410	/nfs/dbraw/zinc/98/04/10/347980410.db2.gz	RYPOXQYDIWICOE-ITGUQSILSA-N	0	1	229.283	0.623	20	30		BCEDMN
N#Cc1nccc(N2CCc3cn[nH]c3C2)n1	ZINC000594568068	348073740	/nfs/dbraw/zinc/07/37/40/348073740.db2.gz	HYXKLMVLMDGFMX-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC2(C#N)CC2)C1	ZINC000594353947	348038772	/nfs/dbraw/zinc/03/87/72/348038772.db2.gz	NIUPPZTYXANBBL-SNVBAGLBSA-N	0	1	221.304	0.748	20	30		BCEDMN
C=C[C@H](CO)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000594994059	348167665	/nfs/dbraw/zinc/16/76/65/348167665.db2.gz	DFTZRPZHSDNSIG-SECBINFHSA-N	0	1	238.243	0.937	20	30		BCEDMN
CCN(CCc1ccc(C#N)cc1)CC(N)=O	ZINC000595458511	348256280	/nfs/dbraw/zinc/25/62/80/348256280.db2.gz	SGHSNJXIMRSVRI-UHFFFAOYSA-N	0	1	231.299	0.908	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)NCCCCC#N	ZINC000595489878	348261323	/nfs/dbraw/zinc/26/13/23/348261323.db2.gz	VLZWPLWSBFPOKL-UHFFFAOYSA-N	0	1	238.335	0.883	20	30		BCEDMN
C[N@@H+](Cc1n[n-]c(=O)o1)[C@@H]1CC[C@H](C#N)C1	ZINC000595547831	348268556	/nfs/dbraw/zinc/26/85/56/348268556.db2.gz	STGMAFIERJRTBN-JGVFFNPUSA-N	0	1	222.248	0.899	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C[C@@H](C#N)CCC#N	ZINC000595547923	348268734	/nfs/dbraw/zinc/26/87/34/348268734.db2.gz	UJMKIVYFGOUYIG-MRVPVSSYSA-N	0	1	235.247	0.651	20	30		BCEDMN
C[C@@H](CO)[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000595670780	348309249	/nfs/dbraw/zinc/30/92/49/348309249.db2.gz	CTARGEQWBUKUSF-QWRGUYRKSA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CC1(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000595728163	348329206	/nfs/dbraw/zinc/32/92/06/348329206.db2.gz	KLHIPQPJKYTJIF-GHMZBOCLSA-N	0	1	233.315	0.891	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@@H](CCF)C1	ZINC000595754364	348342070	/nfs/dbraw/zinc/34/20/70/348342070.db2.gz	AJSSBEYINIMDQJ-JTQLQIEISA-N	0	1	227.283	0.698	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)CC(=O)N(C)C	ZINC000268660022	166298099	/nfs/dbraw/zinc/29/80/99/166298099.db2.gz	RAYMVKUOTSGHIC-SNVBAGLBSA-N	0	1	214.309	0.334	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)C[C@H]2COCCN2)C1	ZINC000595982040	348417445	/nfs/dbraw/zinc/41/74/45/348417445.db2.gz	RPWDQKRXMSKVQA-CMPLNLGQSA-N	0	1	237.303	0.127	20	30		BCEDMN
CC(C)OC[C@H](N)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595983129	348418466	/nfs/dbraw/zinc/41/84/66/348418466.db2.gz	YRGCMSVWCVZWNF-JQWIXIFHSA-N	0	1	239.319	0.501	20	30		BCEDMN
CC(C)(N)c1noc(CN2CC[C@@](C)(C#N)C2)n1	ZINC000595905075	348396229	/nfs/dbraw/zinc/39/62/29/348396229.db2.gz	PTXTXNCPQXGANB-LBPRGKRZSA-N	0	1	249.318	0.999	20	30		BCEDMN
C[C@]1(C#N)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1	ZINC000595904979	348396539	/nfs/dbraw/zinc/39/65/39/348396539.db2.gz	NLWVMYLXCYYZKJ-NWDGAFQWSA-N	0	1	235.331	0.743	20	30		BCEDMN
C=CCOCCNc1ncnc2[nH]cnc21	ZINC000303549685	490165856	/nfs/dbraw/zinc/16/58/56/490165856.db2.gz	FPPNALDZMJIDMG-UHFFFAOYSA-N	0	1	219.248	0.967	20	30		BCEDMN
CN(CC1CN(C)C1)c1cc(C#N)ncn1	ZINC000596453834	348551929	/nfs/dbraw/zinc/55/19/29/348551929.db2.gz	OFRPVALWYRKRDR-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597039139	348647606	/nfs/dbraw/zinc/64/76/06/348647606.db2.gz	JDHZVQKMMQNSCF-JGVFFNPUSA-N	0	1	233.275	0.643	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000596967040	348635818	/nfs/dbraw/zinc/63/58/18/348635818.db2.gz	BRDPLUVFXAVHFP-NKWVEPMBSA-N	0	1	219.248	0.253	20	30		BCEDMN
C=CCSCCNC(=O)Cc1n[nH]c(C)n1	ZINC000596973233	348638050	/nfs/dbraw/zinc/63/80/50/348638050.db2.gz	OCNIOGKDHGJDEX-UHFFFAOYSA-N	0	1	240.332	0.691	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000596994905	348640162	/nfs/dbraw/zinc/64/01/62/348640162.db2.gz	KIHQBPWQEVNZLP-IUCAKERBSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597507341	348746447	/nfs/dbraw/zinc/74/64/47/348746447.db2.gz	IUQAKKVBLQIRNH-QMMMGPOBSA-N	0	1	221.264	0.464	20	30		BCEDMN
CN(C)C1(C(=O)N2CC[C@@](F)(C#N)C2)CC1	ZINC000597548014	348755406	/nfs/dbraw/zinc/75/54/06/348755406.db2.gz	MXSVPKZPIWPRBN-SNVBAGLBSA-N	0	1	225.267	0.545	20	30		BCEDMN
N#CCC1CN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000598034756	348871199	/nfs/dbraw/zinc/87/11/99/348871199.db2.gz	JTJSDCAZBWJGHD-UHFFFAOYSA-N	0	1	241.254	0.944	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@H]1CCCN1C)C1CC1	ZINC000598128678	348894368	/nfs/dbraw/zinc/89/43/68/348894368.db2.gz	OGWNFDOBQVZSED-GXSJLCMTSA-N	0	1	221.304	0.984	20	30		BCEDMN
CCOC(=O)C12CC(C1)CN2C(=O)C(C)C#N	ZINC000598445170	348975230	/nfs/dbraw/zinc/97/52/30/348975230.db2.gz	ARSBQTAXZJCLBA-QTZUAFFRSA-N	0	1	236.271	0.700	20	30		BCEDMN
CCNC(=O)CN(C)C[C@H](O)CC(C)(C)C#N	ZINC000598585439	348995061	/nfs/dbraw/zinc/99/50/61/348995061.db2.gz	CWUVLANWQMFMKM-SNVBAGLBSA-N	0	1	241.335	0.355	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)c2ccn[nH]2)C1	ZINC000598409278	348965385	/nfs/dbraw/zinc/96/53/85/348965385.db2.gz	HCLMDKDZZRMXHQ-JTQLQIEISA-N	0	1	204.233	0.785	20	30		BCEDMN
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CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1C(N)=O	ZINC000599601745	349232489	/nfs/dbraw/zinc/23/24/89/349232489.db2.gz	YGSVRESMELNBIC-UWVGGRQHSA-N	0	1	239.319	0.237	20	30		BCEDMN
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CN(CC(C)(C)C#N)C(=O)CCc1c[nH]nn1	ZINC000601604750	349311311	/nfs/dbraw/zinc/31/13/11/349311311.db2.gz	ZBHLVUWTOZBPSE-UHFFFAOYSA-N	0	1	235.291	0.745	20	30		BCEDMN
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CC[C@@H](O)Cn1[nH]c(C)c(CCC#N)c1=O	ZINC000601946226	349395042	/nfs/dbraw/zinc/39/50/42/349395042.db2.gz	OYLWOWFFMMLIDJ-NXEZZACHSA-N	0	1	223.276	0.895	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H]1CCCCN1C	ZINC000602079600	349430448	/nfs/dbraw/zinc/43/04/48/349430448.db2.gz	CTPRTVYPBNVSQT-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
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C=CCOCCCNC(=O)C1(N(C)C)CC1	ZINC000618517215	350094356	/nfs/dbraw/zinc/09/43/56/350094356.db2.gz	YLVJGGXVFCZZLO-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C	ZINC000132070148	191024158	/nfs/dbraw/zinc/02/41/58/191024158.db2.gz	TWBMOPMBPVIAPR-ZJUUUORDSA-N	0	1	209.293	0.889	20	30		BCEDMN
CC[C@H](OC)C(=O)NC1(C#N)CCN(C)CC1	ZINC000604484382	350138286	/nfs/dbraw/zinc/13/82/86/350138286.db2.gz	LUGJSJYILZDSFD-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
CCn1cc(-c2[nH]ncc2C(=O)NCC#N)cn1	ZINC000426838900	191047247	/nfs/dbraw/zinc/04/72/47/191047247.db2.gz	WSPCMGQMMRXEEN-UHFFFAOYSA-N	0	1	244.258	0.546	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1ccc(CN(C)C)nc1	ZINC000426857508	191047314	/nfs/dbraw/zinc/04/73/14/191047314.db2.gz	IIORRWZOININJP-LLVKDONJSA-N	0	1	249.314	0.420	20	30		BCEDMN
C=C(C)CN(CC)CCS(=O)(=O)N(C)C	ZINC000336670491	350434458	/nfs/dbraw/zinc/43/44/58/350434458.db2.gz	FSPOYUNCWOUOKW-UHFFFAOYSA-N	0	1	234.365	0.776	20	30		BCEDMN
C=CCN(CCOC)C[C@H]1COCCO1	ZINC000336694158	350450161	/nfs/dbraw/zinc/45/01/61/350450161.db2.gz	WFHXBJANDWDSJT-NSHDSACASA-N	0	1	215.293	0.536	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCCN1C1CC1	ZINC000337043818	350547669	/nfs/dbraw/zinc/54/76/69/350547669.db2.gz	DFWLDGVHWRWBJG-CMPLNLGQSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=C[C@@H](CO)NCc1cn(C)nc1C(F)F	ZINC000336709101	351077706	/nfs/dbraw/zinc/07/77/06/351077706.db2.gz	QWJBSDDJVLUYIW-QMMMGPOBSA-N	0	1	231.246	0.994	20	30		BCEDMN
C=C[C@H](CO)NCc1cn(C)nc1C(F)F	ZINC000336709100	351078027	/nfs/dbraw/zinc/07/80/27/351078027.db2.gz	QWJBSDDJVLUYIW-MRVPVSSYSA-N	0	1	231.246	0.994	20	30		BCEDMN
C=CCSCCNCc1ncnn1C	ZINC000231941542	351475769	/nfs/dbraw/zinc/47/57/69/351475769.db2.gz	YEECCZCRKXUQJB-UHFFFAOYSA-N	0	1	212.322	0.824	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1ccc2[nH]nnc2c1	ZINC000175718341	363070222	/nfs/dbraw/zinc/07/02/22/363070222.db2.gz	HUWKMLWPNRXMQA-UHFFFAOYSA-N	0	1	238.250	0.667	20	30		BCEDMN
C[C@@H](N[C@@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N	ZINC000274142254	351561138	/nfs/dbraw/zinc/56/11/38/351561138.db2.gz	XKVBBMBSICFJNS-VHSXEESVSA-N	0	1	249.318	0.821	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN([C@H](C)CCC#N)C1	ZINC000577756923	366054978	/nfs/dbraw/zinc/05/49/78/366054978.db2.gz	CXDLQPXONUQGQG-NXEZZACHSA-N	0	1	224.308	0.682	20	30		BCEDMN
CCN1CCC[C@H](NS(=O)(=O)[C@@H](C)C#N)C1	ZINC000088476852	351804266	/nfs/dbraw/zinc/80/42/66/351804266.db2.gz	ABOVDSSCWIIVIH-UWVGGRQHSA-N	0	1	245.348	0.302	20	30		BCEDMN
N#CCOc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	ZINC000278778005	351783452	/nfs/dbraw/zinc/78/34/52/351783452.db2.gz	NKEMEIINFUBVEF-STQMWFEESA-N	0	1	248.282	0.126	20	30		BCEDMN
CCN1CCC[C@@H]1CNS(=O)(=O)[C@@H](C)C#N	ZINC000088475395	351802551	/nfs/dbraw/zinc/80/25/51/351802551.db2.gz	JOQFAGFIOZYQEY-VHSXEESVSA-N	0	1	245.348	0.302	20	30		BCEDMN
N#CCSCC(=O)NCCN1CC=CCC1	ZINC000279766426	351824116	/nfs/dbraw/zinc/82/41/16/351824116.db2.gz	BBQXMYRYPTVTLU-UHFFFAOYSA-N	0	1	239.344	0.621	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCCN1C1CC1	ZINC000281927738	351916401	/nfs/dbraw/zinc/91/64/01/351916401.db2.gz	HRJRVAHNZOTHHY-LBPRGKRZSA-N	0	1	231.299	0.599	20	30		BCEDMN
CC#CCN1C[C@H](OC)C[C@H]1c1nnc[nH]1	ZINC000284518965	351998825	/nfs/dbraw/zinc/99/88/25/351998825.db2.gz	FOYHRBZQMMDECX-ZJUUUORDSA-N	0	1	220.276	0.590	20	30		BCEDMN
CC#CCCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000613321626	363103375	/nfs/dbraw/zinc/10/33/75/363103375.db2.gz	WVSITTYIGQILAX-VIFPVBQESA-N	0	1	232.287	0.754	20	30		BCEDMN
C#CCCN1CCN([C@H](C)c2nncn2C)CC1	ZINC000287745923	352132924	/nfs/dbraw/zinc/13/29/24/352132924.db2.gz	LIKJDEPQSGSZDT-GFCCVEGCSA-N	0	1	247.346	0.517	20	30		BCEDMN
C=CCCCCNC(=O)NC[C@@H]1COCCN1	ZINC000627014790	363114185	/nfs/dbraw/zinc/11/41/85/363114185.db2.gz	FZDYUIUNYJSRKN-LLVKDONJSA-N	0	1	241.335	0.630	20	30		BCEDMN
CNC(=O)[C@@H]1CN(C[C@@H](C)CCC#N)CCO1	ZINC000618887724	352162991	/nfs/dbraw/zinc/16/29/91/352162991.db2.gz	JIIOGAMSKAFGTF-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
N#CCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000289435192	352185722	/nfs/dbraw/zinc/18/57/22/352185722.db2.gz	NZEMIRQXFFVQFO-SNVBAGLBSA-N	0	1	249.318	0.971	20	30		BCEDMN
CCc1nc([C@@H](C)NC(=O)/C=N/OC)n[nH]1	ZINC000289447186	352186303	/nfs/dbraw/zinc/18/63/03/352186303.db2.gz	MTCMEHZPCIERQA-XREMMQICSA-N	0	1	225.252	0.177	20	30		BCEDMN
C=CCOCCCNC(=O)[C@]1(C)CNCCO1	ZINC000638416388	352228816	/nfs/dbraw/zinc/22/88/16/352228816.db2.gz	WIMQQOZSUBNBTR-LBPRGKRZSA-N	0	1	242.319	0.074	20	30		BCEDMN
C=CCN(CCOC)CCN1CCCC1=O	ZINC000189422017	166341765	/nfs/dbraw/zinc/34/17/65/166341765.db2.gz	OTELELIRNLFKEP-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
CC(C)(C)c1nc(CN2CCOC[C@@H]2C#N)n[nH]1	ZINC000292931515	352333506	/nfs/dbraw/zinc/33/35/06/352333506.db2.gz	MQLVUPSSOGNANJ-VIFPVBQESA-N	0	1	249.318	0.827	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCCN(C)CC1	ZINC000044813463	352428531	/nfs/dbraw/zinc/42/85/31/352428531.db2.gz	ZMQDSQRQMAWMAJ-JTQLQIEISA-N	0	1	209.293	0.700	20	30		BCEDMN
Cn1cc(CNCc2ccnn2C)cc1C#N	ZINC000232315247	352618219	/nfs/dbraw/zinc/61/82/19/352618219.db2.gz	BASSYPJZEOZLKE-UHFFFAOYSA-N	0	1	229.287	0.920	20	30		BCEDMN
C=C(C)CN1CCN(C(COC)COC)CC1	ZINC000411841267	191216673	/nfs/dbraw/zinc/21/66/73/191216673.db2.gz	DZWYAEWOPXQXHA-UHFFFAOYSA-N	0	1	242.363	0.842	20	30		BCEDMN
CNC(=O)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000232314953	352619054	/nfs/dbraw/zinc/61/90/54/352619054.db2.gz	QJJSETCLUZOOBI-MRVPVSSYSA-N	0	1	220.276	0.121	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000232314955	352619166	/nfs/dbraw/zinc/61/91/66/352619166.db2.gz	QJJSETCLUZOOBI-QMMMGPOBSA-N	0	1	220.276	0.121	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@H]([C@@H](C)O)C1	ZINC000412071642	191250787	/nfs/dbraw/zinc/25/07/87/191250787.db2.gz	GNEUJXPHADTLJZ-WOPDTQHZSA-N	0	1	229.320	0.395	20	30		BCEDMN
CN(C(=O)c1ccn[nH]1)C1(C#N)CCC1	ZINC000334202179	352795451	/nfs/dbraw/zinc/79/54/51/352795451.db2.gz	PLWWDQNLWPBTMR-UHFFFAOYSA-N	0	1	204.233	0.928	20	30		BCEDMN
C=CCOCCCN1CCO[C@@H]([C@H](C)O)C1	ZINC000412088130	191254885	/nfs/dbraw/zinc/25/48/85/191254885.db2.gz	OMTOKFWZRPAUAA-NWDGAFQWSA-N	0	1	229.320	0.661	20	30		BCEDMN
C[N@H+]1CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C1	ZINC000334356006	352996246	/nfs/dbraw/zinc/99/62/46/352996246.db2.gz	LZUMVGXDBMWKFQ-NXEZZACHSA-N	0	1	223.320	0.993	20	30		BCEDMN
C[N@H+]1CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1	ZINC000334356009	352996666	/nfs/dbraw/zinc/99/66/66/352996666.db2.gz	LZUMVGXDBMWKFQ-ZJUUUORDSA-N	0	1	223.320	0.993	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@](C)(OC)C1	ZINC000279418615	166367112	/nfs/dbraw/zinc/36/71/12/166367112.db2.gz	WQJPBTHZNPZVMI-LBPRGKRZSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1cn[nH]c1	ZINC000274142073	166369989	/nfs/dbraw/zinc/36/99/89/166369989.db2.gz	XHVLCVYLDIDMQY-QMMMGPOBSA-N	0	1	208.265	0.363	20	30		BCEDMN
C[C@H](CO)[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000330870159	353188667	/nfs/dbraw/zinc/18/86/67/353188667.db2.gz	QKTMJZQZQHCEQG-OUAUKWLOSA-N	0	1	243.351	0.601	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)Cc1ccn[nH]1	ZINC000330886859	353191901	/nfs/dbraw/zinc/19/19/01/353191901.db2.gz	GUVQMHLJFAXFSW-QMMMGPOBSA-N	0	1	206.249	0.713	20	30		BCEDMN
CCc1nc([C@@H](C)NC(=O)CC#N)n[nH]1	ZINC000331053796	353213927	/nfs/dbraw/zinc/21/39/27/353213927.db2.gz	NMACTDCMLIUVRJ-ZCFIWIBFSA-N	0	1	207.237	0.458	20	30		BCEDMN
C[C@@H](CNC([O-])=[NH+]CCF)Cn1cccn1	ZINC000331236551	353235523	/nfs/dbraw/zinc/23/55/23/353235523.db2.gz	LSXNDRFVSLLUCB-VIFPVBQESA-N	0	1	228.271	0.992	20	30		BCEDMN
C[C@@H](C[NH+]=C([O-])NCCF)Cn1cccn1	ZINC000331236551	353235526	/nfs/dbraw/zinc/23/55/26/353235526.db2.gz	LSXNDRFVSLLUCB-VIFPVBQESA-N	0	1	228.271	0.992	20	30		BCEDMN
CSC[C@@H]1CCCN(CC(=O)NCC#N)C1	ZINC000331160639	353223869	/nfs/dbraw/zinc/22/38/69/353223869.db2.gz	FEOIQRLASRPUPG-SNVBAGLBSA-N	0	1	241.360	0.701	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCCC[N@H+](C)CCOC	ZINC000128432125	353288649	/nfs/dbraw/zinc/28/86/49/353288649.db2.gz	DJKRBVZBBDFJNN-NSHDSACASA-N	0	1	243.351	0.828	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)NCC(=O)OC	ZINC000175975660	188252752	/nfs/dbraw/zinc/25/27/52/188252752.db2.gz	NJGGRCVPBNGBNF-UHFFFAOYSA-N	0	1	228.292	0.174	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC=C(C)CC1	ZINC000270348862	188263302	/nfs/dbraw/zinc/26/33/02/188263302.db2.gz	PMROKLYCDQRTHY-NSHDSACASA-N	0	1	206.289	0.776	20	30		BCEDMN
C=C(C)CCN1CCO[C@@H](C(=O)NC)C1	ZINC000274850868	188264888	/nfs/dbraw/zinc/26/48/88/188264888.db2.gz	QYCAQWZIRWLAJO-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=C(C)CCN1CCN(C(=O)[C@H](C)O)CC1	ZINC000274808864	188265261	/nfs/dbraw/zinc/26/52/61/188265261.db2.gz	HGCCTNMFVRBEPQ-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cnn(C)c1C#N	ZINC000354293230	188283527	/nfs/dbraw/zinc/28/35/27/188283527.db2.gz	IEZROOSEPYFKNH-UHFFFAOYSA-N	0	1	244.258	0.253	20	30		BCEDMN
C#CCCN1CCN(Cc2cnn(C)c2)CC1	ZINC000162491045	353322021	/nfs/dbraw/zinc/32/20/21/353322021.db2.gz	LXABOBJRXWBIPQ-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C=CCCOCCNC(=O)CN(C)C	ZINC000129617098	353325131	/nfs/dbraw/zinc/32/51/31/353325131.db2.gz	QQMSUNQDSBCQFC-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)CO	ZINC000131949256	353376223	/nfs/dbraw/zinc/37/62/23/353376223.db2.gz	MONSHMIMCGFHDE-NSHDSACASA-N	0	1	226.320	0.500	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)[C@@H](C)CO	ZINC000131949256	353376227	/nfs/dbraw/zinc/37/62/27/353376227.db2.gz	MONSHMIMCGFHDE-NSHDSACASA-N	0	1	226.320	0.500	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCN2CCC1CC2	ZINC000334509135	353407688	/nfs/dbraw/zinc/40/76/88/353407688.db2.gz	RTFUXPSFQVNXIE-SECBINFHSA-N	0	1	207.277	0.453	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](CC)[C@@H]1CCNC1=O	ZINC000281571487	353443575	/nfs/dbraw/zinc/44/35/75/353443575.db2.gz	DIQWBEVVORYFGE-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@@H](C)OC)C1=O	ZINC000281199721	353437969	/nfs/dbraw/zinc/43/79/69/353437969.db2.gz	CHROFIJWXCVFCP-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cnccc1C#N	ZINC000342031396	188398857	/nfs/dbraw/zinc/39/88/57/188398857.db2.gz	YDULXPDRGCNRKT-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C#CCN1CCN(CCC(=O)OC)C[C@H]1C	ZINC000182117230	353459559	/nfs/dbraw/zinc/45/95/59/353459559.db2.gz	ZFYGWGXNTBSMIV-LLVKDONJSA-N	0	1	224.304	0.189	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCC(=O)OC)C1=O	ZINC000282024307	353460879	/nfs/dbraw/zinc/46/08/79/353460879.db2.gz	PMQWIFMTXZULJN-JTQLQIEISA-N	0	1	240.303	0.268	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCOC)C1=O	ZINC000282046731	353462126	/nfs/dbraw/zinc/46/21/26/353462126.db2.gz	RJADLEMQJPUGEG-SNVBAGLBSA-N	0	1	212.293	0.352	20	30		BCEDMN
CC#CC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000283081643	353495261	/nfs/dbraw/zinc/49/52/61/353495261.db2.gz	DTOVPVNDRGHUNM-SECBINFHSA-N	0	1	203.245	0.927	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](OC)C[C@@H]1C	ZINC000282320578	353474625	/nfs/dbraw/zinc/47/46/25/353474625.db2.gz	LAHAJQXCGHNHEI-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000284487020	353513092	/nfs/dbraw/zinc/51/30/92/353513092.db2.gz	CHLQDZCESAIZJL-RKDXNWHRSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000284487020	353513094	/nfs/dbraw/zinc/51/30/94/353513094.db2.gz	CHLQDZCESAIZJL-RKDXNWHRSA-N	0	1	234.303	0.990	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1	ZINC000284468010	353513328	/nfs/dbraw/zinc/51/33/28/353513328.db2.gz	DMCDAPHSVMKUCT-GFCCVEGCSA-N	0	1	234.303	0.128	20	30		BCEDMN
C#CCN(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000192218576	353536571	/nfs/dbraw/zinc/53/65/71/353536571.db2.gz	OTNGWKAWBNTUDR-CYBMUJFWSA-N	0	1	244.294	0.863	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H](C)OC	ZINC000285684319	353539158	/nfs/dbraw/zinc/53/91/58/353539158.db2.gz	NHWVMLTUQDAXNY-VIFPVBQESA-N	0	1	200.282	0.255	20	30		BCEDMN
C=CCCCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000288130579	353601558	/nfs/dbraw/zinc/60/15/58/353601558.db2.gz	CFUOZJXLRHILSG-JTQLQIEISA-N	0	1	248.286	0.839	20	30		BCEDMN
C=CCNC(=O)CN(C)C1CC(OCC)C1	ZINC000286695107	353569060	/nfs/dbraw/zinc/56/90/60/353569060.db2.gz	DIOHJZOHPLIJDG-UHFFFAOYSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCOCCOC	ZINC000288595341	353611247	/nfs/dbraw/zinc/61/12/47/353611247.db2.gz	DQGSBQSSDACNCL-NSHDSACASA-N	0	1	244.335	0.272	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1[nH]nc2c1CCCCC2	ZINC000290431691	353663787	/nfs/dbraw/zinc/66/37/87/353663787.db2.gz	ALLAQTPUASAZKL-SECBINFHSA-N	0	1	249.314	0.955	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)CCCCc1cn[nH]n1	ZINC000290637617	353665973	/nfs/dbraw/zinc/66/59/73/353665973.db2.gz	PTCTXHNXGNYLKB-VIFPVBQESA-N	0	1	238.291	0.181	20	30		BCEDMN
C#CCN(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000290894101	353675166	/nfs/dbraw/zinc/67/51/66/353675166.db2.gz	BVKYJJLQVFBMQM-VIFPVBQESA-N	0	1	234.303	0.924	20	30		BCEDMN
C#CCN(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000290894096	353675226	/nfs/dbraw/zinc/67/52/26/353675226.db2.gz	BVKYJJLQVFBMQM-SECBINFHSA-N	0	1	234.303	0.924	20	30		BCEDMN
C=CCNC(=O)CN(C)C(C)(C)COC	ZINC000292206530	353707074	/nfs/dbraw/zinc/70/70/74/353707074.db2.gz	SSODSLCCLPFJAT-UHFFFAOYSA-N	0	1	214.309	0.645	20	30		BCEDMN
C#CCONC(=O)NCCCc1cn[nH]c1C	ZINC000292062075	353709554	/nfs/dbraw/zinc/70/95/54/353709554.db2.gz	ZWXPXBHGUNKUFO-UHFFFAOYSA-N	0	1	236.275	0.515	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](C)[C@H]1C	ZINC000292904170	353728353	/nfs/dbraw/zinc/72/83/53/353728353.db2.gz	WHOJMDWICGYQID-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
CC(C)CN1CCO[C@@H](CNC(=O)CC#N)C1	ZINC000185077230	353749408	/nfs/dbraw/zinc/74/94/08/353749408.db2.gz	ZFKFINGXVQFIGK-NSHDSACASA-N	0	1	239.319	0.373	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)N(C)C(C)C	ZINC000293896818	353762288	/nfs/dbraw/zinc/76/22/88/353762288.db2.gz	VPUKZCNFGBDTDE-UHFFFAOYSA-N	0	1	225.336	0.991	20	30		BCEDMN
C=CCOCC[N@H+](C)C1(C(N)=O)CCCC1	ZINC000293887037	353762303	/nfs/dbraw/zinc/76/23/03/353762303.db2.gz	UTBVCMZSCALMCQ-UHFFFAOYSA-N	0	1	226.320	0.919	20	30		BCEDMN
C=CCOCCN1CCCN(CC)C(=O)C1	ZINC000294557088	353782686	/nfs/dbraw/zinc/78/26/86/353782686.db2.gz	LFBITNLQQCPTJV-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@H](C)OC[C@@H]1C	ZINC000293411617	353743155	/nfs/dbraw/zinc/74/31/55/353743155.db2.gz	IEEIOCDDXIXJBF-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCNC(=O)CN1CCC(CF)CC1	ZINC000295177336	353798755	/nfs/dbraw/zinc/79/87/55/353798755.db2.gz	RBWLYVFAYVHADZ-UHFFFAOYSA-N	0	1	214.284	0.970	20	30		BCEDMN
C#CCSCCNCc1nccnc1OC	ZINC000295665867	353811728	/nfs/dbraw/zinc/81/17/28/353811728.db2.gz	JSJTUZUHJIQKKT-UHFFFAOYSA-N	0	1	237.328	0.941	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCCC[C@H]1OC	ZINC000295887562	353813429	/nfs/dbraw/zinc/81/34/29/353813429.db2.gz	CLFFQFVMQZSAPJ-VHSXEESVSA-N	0	1	211.261	0.873	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)NOCC(C)C	ZINC000296340376	353823132	/nfs/dbraw/zinc/82/31/32/353823132.db2.gz	CFTHPYMJHMNEBE-UHFFFAOYSA-N	0	1	241.335	0.828	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296832758	353828998	/nfs/dbraw/zinc/82/89/98/353828998.db2.gz	LMDSJCLYDHWJCC-GARJFASQSA-N	0	1	223.320	0.742	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN(CC)C1CC1	ZINC000185729060	353830565	/nfs/dbraw/zinc/83/05/65/353830565.db2.gz	FSHDYECHWIMAHV-JTQLQIEISA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000296965299	353838019	/nfs/dbraw/zinc/83/80/19/353838019.db2.gz	YNBVDHBAVDMZKJ-SNVBAGLBSA-N	0	1	210.277	0.782	20	30		BCEDMN
C=CCOCC[N@H+]1CCCNC(=O)[C@@H]1C	ZINC000294780913	353789795	/nfs/dbraw/zinc/78/97/95/353789795.db2.gz	ZXXGHVSHLVQZDH-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCOCCN1CCCNC(=O)[C@@H]1C	ZINC000294780913	353789797	/nfs/dbraw/zinc/78/97/97/353789797.db2.gz	ZXXGHVSHLVQZDH-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCCN1CCN(Cc2cccnc2N)CC1	ZINC000294862979	353792157	/nfs/dbraw/zinc/79/21/57/353792157.db2.gz	CIVDJYKPLQTGPA-UHFFFAOYSA-N	0	1	244.342	0.805	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000294928667	353793169	/nfs/dbraw/zinc/79/31/69/353793169.db2.gz	LGPPFMIPDLIAAW-GXSJLCMTSA-N	0	1	247.298	0.942	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000185357421	353793662	/nfs/dbraw/zinc/79/36/62/353793662.db2.gz	MLNSLQFYAUQBHY-RXMQYKEDSA-N	0	1	208.177	0.069	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)[O-]	ZINC000038022009	166387459	/nfs/dbraw/zinc/38/74/59/166387459.db2.gz	HTPJCSIFTFHQLS-VIFPVBQESA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)[O-]	ZINC000038022009	166387461	/nfs/dbraw/zinc/38/74/61/166387461.db2.gz	HTPJCSIFTFHQLS-VIFPVBQESA-N	0	1	228.292	0.474	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1	ZINC000343656902	353955175	/nfs/dbraw/zinc/95/51/75/353955175.db2.gz	DLWAFRAGVKIIJR-ZDUSSCGKSA-N	0	1	249.358	0.555	20	30		BCEDMN
C=C[C@H](C)Nc1nc(NC)nc(N[C@@H](C)C=C)n1	ZINC000343903261	354054964	/nfs/dbraw/zinc/05/49/64/354054964.db2.gz	YIHGNCXKYPZNDR-IUCAKERBSA-N	0	1	248.334	0.152	20	30		BCEDMN
CNC(=O)CCCN(C)CC1(C#N)CC1	ZINC000331757313	134001622	/nfs/dbraw/zinc/00/16/22/134001622.db2.gz	MKCCYMRRHMCQBJ-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@H](CO)N(C[C@H](C)O)CC1(C#N)CC1	ZINC000331789265	134002494	/nfs/dbraw/zinc/00/24/94/134002494.db2.gz	USTCQNVMIPVYBJ-ZJUUUORDSA-N	0	1	212.293	0.354	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2CC[C@H](CO)O2)o1	ZINC000353686049	181108001	/nfs/dbraw/zinc/10/80/01/181108001.db2.gz	JKRPFASRAXXCGZ-NWDGAFQWSA-N	0	1	236.271	0.781	20	30		BCEDMN
N#Cc1ccc(CNC[C@H]2CC[C@@H](CO)O2)o1	ZINC000292629254	181109321	/nfs/dbraw/zinc/10/93/21/181109321.db2.gz	JKRPFASRAXXCGZ-NEPJUHHUSA-N	0	1	236.271	0.781	20	30		BCEDMN
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CN1CC[C@@H](NS(=O)(=O)CCCCC#N)C1	ZINC000344979613	354404993	/nfs/dbraw/zinc/40/49/93/354404993.db2.gz	FFSVACGTZWYTIG-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
CCN(CC(=O)N(CC#N)C1CC1)C1CC1	ZINC000349429074	366194581	/nfs/dbraw/zinc/19/45/81/366194581.db2.gz	FIBGREOFJVGANT-UHFFFAOYSA-N	0	1	221.304	0.985	20	30		BCEDMN
CC#CCN1CCC[C@H](n2ccnn2)C1	ZINC000335107170	354691971	/nfs/dbraw/zinc/69/19/71/354691971.db2.gz	CXLJBVWCJMXLMZ-NSHDSACASA-N	0	1	204.277	0.938	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)NC[C@H]1COCCN1	ZINC000627186253	363440921	/nfs/dbraw/zinc/44/09/21/363440921.db2.gz	RKUFJWWJOSLYIB-ZJUUUORDSA-N	0	1	227.308	0.239	20	30		BCEDMN
C=CCN(C(=O)NC[C@H]1COCCN1)C1CC1	ZINC000627187611	363443817	/nfs/dbraw/zinc/44/38/17/363443817.db2.gz	LTNAGSKUMVVXPB-JTQLQIEISA-N	0	1	239.319	0.335	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CCC1	ZINC000346393801	354908524	/nfs/dbraw/zinc/90/85/24/354908524.db2.gz	CRONBJDUPPYIOI-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NCC#N)CC1(C)C	ZINC000335169595	354931759	/nfs/dbraw/zinc/93/17/59/354931759.db2.gz	ZASLTDGCBFGCAO-JTQLQIEISA-N	0	1	223.320	0.994	20	30		BCEDMN
N#Cc1cscc1C(=O)NCc1nnc[nH]1	ZINC000340148827	181167080	/nfs/dbraw/zinc/16/70/80/181167080.db2.gz	POHDJDGEJOBFQV-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CCCNC(=O)C2)nn1	ZINC000639275734	355352805	/nfs/dbraw/zinc/35/28/05/355352805.db2.gz	QYACNVYFHPNGJR-SNVBAGLBSA-N	0	1	249.318	0.222	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)C[C@@H]1COCCN1	ZINC000087509563	355353694	/nfs/dbraw/zinc/35/36/94/355353694.db2.gz	LXHZZFSMYPWBQM-NXEZZACHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CCNC(=O)CNCc1cc(C#N)n(C)c1	ZINC000191567764	355734073	/nfs/dbraw/zinc/73/40/73/355734073.db2.gz	QTTOLFMYPBMFJZ-UHFFFAOYSA-N	0	1	232.287	0.289	20	30		BCEDMN
C[C@H](O)CN(CCO)Cc1ccc(C#N)cn1	ZINC000583638692	355940746	/nfs/dbraw/zinc/94/07/46/355940746.db2.gz	GTGNTEKVFWJSJZ-JTQLQIEISA-N	0	1	235.287	0.128	20	30		BCEDMN
N#Cc1ccsc1C(=O)NCCc1nc[nH]n1	ZINC000345711267	355930736	/nfs/dbraw/zinc/93/07/36/355930736.db2.gz	ZDQSEHANYWIFFM-UHFFFAOYSA-N	0	1	247.283	0.710	20	30		BCEDMN
O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cnc[nH]1	ZINC000329134038	355899051	/nfs/dbraw/zinc/89/90/51/355899051.db2.gz	BOSCZEOKRCAUSX-SSDOTTSWSA-N	0	1	231.259	0.995	20	30		BCEDMN
C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](C)C1	ZINC000617556833	356114469	/nfs/dbraw/zinc/11/44/69/356114469.db2.gz	YVEKRVBAIYKZJW-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
[O-]C(=[NH+][C@H]1CCc2cn[nH]c2C1)N1CC(F)C1	ZINC000329766721	356116188	/nfs/dbraw/zinc/11/61/88/356116188.db2.gz	YNJPRXSTGDIQJJ-VIFPVBQESA-N	0	1	238.266	0.835	20	30		BCEDMN
C=C(C)CCN1CCN(C(=O)CO)CC1	ZINC000351717407	356069504	/nfs/dbraw/zinc/06/95/04/356069504.db2.gz	DQPLGNMBFKHCDU-UHFFFAOYSA-N	0	1	212.293	0.089	20	30		BCEDMN
Cc1nccc(NC(=O)N[C@H](C)c2nnc[nH]2)n1	ZINC000330151602	356175477	/nfs/dbraw/zinc/17/54/77/356175477.db2.gz	LMOVKEPZDYCHGT-ZCFIWIBFSA-N	0	1	247.262	0.990	20	30		BCEDMN
Cc1nccc(NC(=O)N[C@@H](C)c2nnc[nH]2)n1	ZINC000330151601	356175541	/nfs/dbraw/zinc/17/55/41/356175541.db2.gz	LMOVKEPZDYCHGT-LURJTMIESA-N	0	1	247.262	0.990	20	30		BCEDMN
CN(C)C(=O)CCN1CCC(F)(C#N)CC1	ZINC000352459522	356360868	/nfs/dbraw/zinc/36/08/68/356360868.db2.gz	ZWSMSDRZJUARRM-UHFFFAOYSA-N	0	1	227.283	0.792	20	30		BCEDMN
C[C@@H](CC#N)N[C@@H](C)CN1CCOCC1	ZINC000049504870	356471372	/nfs/dbraw/zinc/47/13/72/356471372.db2.gz	PPRPDWQYZSTKNI-QWRGUYRKSA-N	0	1	211.309	0.599	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)C1CCN(C)CC1	ZINC000336166375	134113360	/nfs/dbraw/zinc/11/33/60/134113360.db2.gz	AJWXPWWTYMLBGI-UHFFFAOYSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H](CO)OC(C)(C)C1	ZINC000420932541	192286972	/nfs/dbraw/zinc/28/69/72/192286972.db2.gz	HDPMWPNXTAYEBF-RYUDHWBXSA-N	0	1	243.347	0.785	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC1	ZINC000450204260	202094433	/nfs/dbraw/zinc/09/44/33/202094433.db2.gz	UDZQTEAPAKHZFY-MNOVXSKESA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CCCN1CCN(c2nc[nH]n2)CC1	ZINC000639730786	356624375	/nfs/dbraw/zinc/62/43/75/356624375.db2.gz	QURRVDFRYLZHAN-UHFFFAOYSA-N	0	1	207.281	0.503	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N(CC#N)C1CC1	ZINC000336617494	134151515	/nfs/dbraw/zinc/15/15/15/134151515.db2.gz	HMHNOMGSWUUTGR-SNVBAGLBSA-N	0	1	207.277	0.595	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)CC(C)(C)O	ZINC000304108002	134159712	/nfs/dbraw/zinc/15/97/12/134159712.db2.gz	DLFAVAQTMBQETL-UHFFFAOYSA-N	0	1	241.335	0.451	20	30		BCEDMN
C[C@@H](Nc1ccncc1C#N)c1nnc[nH]1	ZINC000399444044	356699860	/nfs/dbraw/zinc/69/98/60/356699860.db2.gz	MUIHSUZNNVMOSD-SSDOTTSWSA-N	0	1	214.232	0.666	20	30		BCEDMN
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C=C[C@](C)(O)CC(=O)N[C@H](C)c1nnc[nH]1	ZINC000354962094	134170854	/nfs/dbraw/zinc/17/08/54/134170854.db2.gz	VUFYZKFKJNTTLY-XCBNKYQSSA-N	0	1	224.264	0.309	20	30		BCEDMN
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CC#CCN1CC[C@H](NC(=O)NC2CC2)C1	ZINC000355118891	134171835	/nfs/dbraw/zinc/17/18/35/134171835.db2.gz	CCFRMDUVIWPTNS-NSHDSACASA-N	0	1	221.304	0.546	20	30		BCEDMN
CC#CCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000355183879	134172343	/nfs/dbraw/zinc/17/23/43/134172343.db2.gz	UDYZTEKHSFJRCH-QMMMGPOBSA-N	0	1	235.291	0.887	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCN(C2CCC2)C1=O	ZINC000639864979	356955348	/nfs/dbraw/zinc/95/53/48/356955348.db2.gz	LQWGFVASVXQQES-MWLCHTKSSA-N	0	1	224.304	0.276	20	30		BCEDMN
Cc1nc(CCNc2ccncc2C#N)n[nH]1	ZINC000399503905	356960622	/nfs/dbraw/zinc/96/06/22/356960622.db2.gz	JMXGMXVKIPOZFP-UHFFFAOYSA-N	0	1	228.259	0.456	20	30		BCEDMN
Cc1nnc(CCNc2ccncc2C#N)[nH]1	ZINC000399503905	356960624	/nfs/dbraw/zinc/96/06/24/356960624.db2.gz	JMXGMXVKIPOZFP-UHFFFAOYSA-N	0	1	228.259	0.456	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)C(C)(C)C	ZINC000610091187	357098614	/nfs/dbraw/zinc/09/86/14/357098614.db2.gz	ROMNLXBRAOIOFD-JGVFFNPUSA-N	0	1	226.276	0.850	20	30		BCEDMN
CCN(CCOCCC#N)CC(=O)N(C)C	ZINC000385306494	357138673	/nfs/dbraw/zinc/13/86/73/357138673.db2.gz	MBJPQDHNIMVHPD-UHFFFAOYSA-N	0	1	227.308	0.327	20	30		BCEDMN
N#Cc1cncnc1N1CC[C@H](N2CC=CC2)C1	ZINC000582417064	357140245	/nfs/dbraw/zinc/14/02/45/357140245.db2.gz	CRTKRJSTLJJVIC-LBPRGKRZSA-N	0	1	241.298	0.799	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000358718802	134192468	/nfs/dbraw/zinc/19/24/68/134192468.db2.gz	YOGSNRLBHXAFKW-PHIMTYICSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	ZINC000628414496	357229837	/nfs/dbraw/zinc/22/98/37/357229837.db2.gz	PTUCCLWRBXMWTM-KBPBESRZSA-N	0	1	249.310	0.789	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)C2(C#N)CC(C)C2)n1	ZINC000392697326	357176683	/nfs/dbraw/zinc/17/66/83/357176683.db2.gz	SUWFAEXAZVNOFH-UHFFFAOYSA-N	0	1	247.302	0.712	20	30		BCEDMN
CN(C)CC(=O)NCC(C)(C)CCC#N	ZINC000360431173	134200584	/nfs/dbraw/zinc/20/05/84/134200584.db2.gz	QOQCYEPYBUUZMH-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
CCNC(=O)CN1CCC(CC#N)CC1	ZINC000397205508	357507210	/nfs/dbraw/zinc/50/72/10/357507210.db2.gz	SQXNKMJSXZERKD-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@@H](C(=O)NC(N)=O)N1CCC(CC#N)CC1	ZINC000397178707	357508266	/nfs/dbraw/zinc/50/82/66/357508266.db2.gz	HWVBDIJQCKRTBO-QMMMGPOBSA-N	0	1	238.291	0.195	20	30		BCEDMN
CC1CC(C#N)(C(=O)N2CCc3[nH]nnc3C2)C1	ZINC000396791644	357483830	/nfs/dbraw/zinc/48/38/30/357483830.db2.gz	CXPXQZMFHOSQSH-UHFFFAOYSA-N	0	1	245.286	0.629	20	30		BCEDMN
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CC(C)N1CCO[C@H](C(=O)NCCCC#N)C1	ZINC000368576320	134219340	/nfs/dbraw/zinc/21/93/40/134219340.db2.gz	QRKSBOKAEFIUEB-NSHDSACASA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCCN1CCO[C@]2(CCO[C@@H]2C)C1	ZINC000369316001	134222195	/nfs/dbraw/zinc/22/21/95/134222195.db2.gz	XZOXMLKGHOFDJA-VXGBXAGGSA-N	0	1	209.289	0.890	20	30		BCEDMN
C=CCCN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1	ZINC000369468207	134222847	/nfs/dbraw/zinc/22/28/47/134222847.db2.gz	NCSMDZKUHVKYOC-JTQLQIEISA-N	0	1	237.303	0.531	20	30		BCEDMN
C#CCN1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000369865950	134223259	/nfs/dbraw/zinc/22/32/59/134223259.db2.gz	WFSSYFWSZBKZAQ-LBPRGKRZSA-N	0	1	209.289	0.890	20	30		BCEDMN
N#CCCCCN1CCN2C(=O)CC[C@H]2C1	ZINC000168506712	134225091	/nfs/dbraw/zinc/22/50/91/134225091.db2.gz	FEWDFVHWECGVEB-NSHDSACASA-N	0	1	221.304	0.987	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1ccnc(C#N)c1	ZINC000192562898	357844513	/nfs/dbraw/zinc/84/45/13/357844513.db2.gz	FHNHMAJTVIZRMC-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)c1ccccn1	ZINC000610429404	357924672	/nfs/dbraw/zinc/92/46/72/357924672.db2.gz	KVWHUBHFDUXXHU-WCBMZHEXSA-N	0	1	247.254	0.572	20	30		BCEDMN
COCC#CC[N@@H+](C)[C@@H]1CCCC[C@H]1O	ZINC000639934766	357931552	/nfs/dbraw/zinc/93/15/52/357931552.db2.gz	GDPGNQLQVDOIMW-VXGBXAGGSA-N	0	1	211.305	0.872	20	30		BCEDMN
Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC#N	ZINC000610436572	357937727	/nfs/dbraw/zinc/93/77/27/357937727.db2.gz	OFAFURDBXFKXRC-UHFFFAOYSA-N	0	1	232.165	0.990	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1nc[nH]n1)C(C)C	ZINC000374164650	134235953	/nfs/dbraw/zinc/23/59/53/134235953.db2.gz	SHTFAANEEHNDJM-BBBLOLIVSA-N	0	1	232.287	0.682	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2c[nH]nn2)cn1	ZINC000610494490	357954433	/nfs/dbraw/zinc/95/44/33/357954433.db2.gz	OSNNGYFCBGKXNL-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)[C@H](C)N(C)C	ZINC000610560046	357987215	/nfs/dbraw/zinc/98/72/15/357987215.db2.gz	SFJPUCLBMGKRQM-VHSXEESVSA-N	0	1	211.309	0.991	20	30		BCEDMN
N#CCCCCN1CCN2C(=O)OC[C@@H]2C1	ZINC000374562868	134237181	/nfs/dbraw/zinc/23/71/81/134237181.db2.gz	XYLNJVSJCORLSF-JTQLQIEISA-N	0	1	223.276	0.817	20	30		BCEDMN
C#CCN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000375514217	134239729	/nfs/dbraw/zinc/23/97/29/134239729.db2.gz	WNTUHRYQSXNWAH-RNFRBKRXSA-N	0	1	220.194	0.215	20	30		BCEDMN
C=CCCN1CCOC[C@H]1CC(=O)OC	ZINC000376540928	134242823	/nfs/dbraw/zinc/24/28/23/134242823.db2.gz	MJRSTNKIBPYULF-SNVBAGLBSA-N	0	1	213.277	0.826	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000378487630	134246140	/nfs/dbraw/zinc/24/61/40/134246140.db2.gz	IQZNBEKQFVKKTQ-RKDXNWHRSA-N	0	1	220.276	0.943	20	30		BCEDMN
CN(C)CC(=O)N1CCC[C@@H](CC#N)C1	ZINC000397647668	363597544	/nfs/dbraw/zinc/59/75/44/363597544.db2.gz	SQCHKGVHTAZLHC-JTQLQIEISA-N	0	1	209.293	0.700	20	30		BCEDMN
CCOC[C@@H](C(=O)OC)N(C)C(=O)C(C)C#N	ZINC000610943088	358249213	/nfs/dbraw/zinc/24/92/13/358249213.db2.gz	XYMIWZIXMBNKDM-BDAKNGLRSA-N	0	1	242.275	0.183	20	30		BCEDMN
CCN(CCO)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000049754516	358700578	/nfs/dbraw/zinc/70/05/78/358700578.db2.gz	SRPPIOJALIJIPV-GFCCVEGCSA-N	0	1	239.319	0.109	20	30		BCEDMN
C=C(C)COCCNC(=O)[C@@H]1CCCN1C	ZINC000132642849	358732035	/nfs/dbraw/zinc/73/20/35/358732035.db2.gz	OYEGOQAMDBUCAZ-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CN(C)C1CN(C(=O)C2(C#N)CCOCC2)C1	ZINC000134918642	358811256	/nfs/dbraw/zinc/81/12/56/358811256.db2.gz	VPUVMTWTHNMYRG-UHFFFAOYSA-N	0	1	237.303	0.079	20	30		BCEDMN
C[C@H](CO)N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000135510068	358840623	/nfs/dbraw/zinc/84/06/23/358840623.db2.gz	XOWQLBHGAMKYSZ-SKDRFNHKSA-N	0	1	239.319	0.107	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1	ZINC000177516804	134298371	/nfs/dbraw/zinc/29/83/71/134298371.db2.gz	NXJIMESHNGYHGF-STQMWFEESA-N	0	1	243.347	0.787	20	30		BCEDMN
COCC#CCN1CC[C@@H](C(=O)OC)C1	ZINC000611194639	359119603	/nfs/dbraw/zinc/11/96/03/359119603.db2.gz	KEXWBKDIPVFTPG-SNVBAGLBSA-N	0	1	211.261	0.131	20	30		BCEDMN
CN(CCc1cccs1)CC(=O)NCC#N	ZINC000075966704	359248329	/nfs/dbraw/zinc/24/83/29/359248329.db2.gz	JLKQKOJLIUZWLG-UHFFFAOYSA-N	0	1	237.328	0.862	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1c1cccc(C#N)n1	ZINC000450956608	202318335	/nfs/dbraw/zinc/31/83/35/202318335.db2.gz	RWRSRXGPAVYEGY-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C=C(C)CCNc1ccncc1C(N)=O	ZINC000578484665	366578056	/nfs/dbraw/zinc/57/80/56/366578056.db2.gz	XJDFPDUGHBMCGB-UHFFFAOYSA-N	0	1	205.261	0.981	20	30		BCEDMN
CC[C@@H](CO)N(C)CC(=O)N(CC)CCC#N	ZINC000451151917	202364657	/nfs/dbraw/zinc/36/46/57/202364657.db2.gz	AKAOEAHBPPCWLJ-NSHDSACASA-N	0	1	241.335	0.451	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2cnc(C#N)cn2)CCN1C	ZINC000613888840	363681357	/nfs/dbraw/zinc/68/13/57/363681357.db2.gz	WVYACKFACXFCQZ-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000612531485	359877889	/nfs/dbraw/zinc/87/78/89/359877889.db2.gz	DXHSRHWTWUOVBL-SKDRFNHKSA-N	0	1	235.287	0.840	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N(C)CCN1CCCC1	ZINC000088485866	359958712	/nfs/dbraw/zinc/95/87/12/359958712.db2.gz	DMUDDHDOIDXBDO-SNVBAGLBSA-N	0	1	245.348	0.256	20	30		BCEDMN
CN(Cc1ccnc(C#N)c1)C1CC(O)C1	ZINC000612740971	360043086	/nfs/dbraw/zinc/04/30/86/360043086.db2.gz	FYFUFDNZDRKCLX-UHFFFAOYSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CC#N	ZINC000094447215	360308735	/nfs/dbraw/zinc/30/87/35/360308735.db2.gz	HTOZGFXAKSYGCG-WDEREUQCSA-N	0	1	221.304	0.985	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000613124205	360393819	/nfs/dbraw/zinc/39/38/19/360393819.db2.gz	PTWUQRNCDHCJFD-NKWVEPMBSA-N	0	1	224.264	0.091	20	30		BCEDMN
C=CC[C@@H]1CC[N@H+](CC(=O)NCC(=O)[O-])C1	ZINC000629498685	361099367	/nfs/dbraw/zinc/09/93/67/361099367.db2.gz	PPYNMKLNLXWOOP-SECBINFHSA-N	0	1	226.276	0.085	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c(=O)n1C	ZINC000640649758	361348325	/nfs/dbraw/zinc/34/83/25/361348325.db2.gz	BMBFSGGECYUKMN-MRVPVSSYSA-N	0	1	238.291	0.739	20	30		BCEDMN
Cc1nc(CN2CCC(F)(C#N)CC2)n[nH]1	ZINC000428997319	201058112	/nfs/dbraw/zinc/05/81/12/201058112.db2.gz	TUHSLDMTLIIUCS-UHFFFAOYSA-N	0	1	223.255	0.941	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@H](O)C(C)C)C1=O	ZINC000433196937	201168646	/nfs/dbraw/zinc/16/86/46/201168646.db2.gz	OCMRTXYQORKAHW-NEPJUHHUSA-N	0	1	240.347	0.722	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@@H](O)C(C)C)C1=O	ZINC000433196940	201169758	/nfs/dbraw/zinc/16/97/58/201169758.db2.gz	OCMRTXYQORKAHW-VXGBXAGGSA-N	0	1	240.347	0.722	20	30		BCEDMN
CC#CCCN1CCN(Cc2nccn2C)CC1	ZINC000155583686	201342567	/nfs/dbraw/zinc/34/25/67/201342567.db2.gz	NXCUJXIEIUFULX-UHFFFAOYSA-N	0	1	246.358	0.951	20	30		BCEDMN
CC1CCN(CC(=O)NCCC#N)CC1	ZINC000027343968	363886365	/nfs/dbraw/zinc/88/63/65/363886365.db2.gz	NFCNRFAHUCDCMP-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
N#CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000328972326	541329362	/nfs/dbraw/zinc/32/93/62/541329362.db2.gz	AIAIQBFIGCKALJ-MRVPVSSYSA-N	0	1	245.286	0.424	20	30		BCEDMN
N#CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000328972326	541329365	/nfs/dbraw/zinc/32/93/65/541329365.db2.gz	AIAIQBFIGCKALJ-MRVPVSSYSA-N	0	1	245.286	0.424	20	30		BCEDMN
COCCCN(CCO)Cc1ccnc(C#N)c1	ZINC000614996561	364307573	/nfs/dbraw/zinc/30/75/73/364307573.db2.gz	PFRNUBOPPNVYRJ-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
N#CC1(C[NH+]2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1	ZINC000329680643	541349811	/nfs/dbraw/zinc/34/98/11/541349811.db2.gz	XYKYOZQTYVLCRM-UHFFFAOYSA-N	0	1	247.302	0.993	20	30		BCEDMN
CC#CCN1CCN(CCC(=O)OC)C[C@@H]1C	ZINC000182104339	366867473	/nfs/dbraw/zinc/86/74/73/366867473.db2.gz	CIBQIRFETIVKOW-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)CCN1	ZINC000182283096	366881445	/nfs/dbraw/zinc/88/14/45/366881445.db2.gz	ZALFOUWZENMMQA-UHFFFAOYSA-N	0	1	232.287	0.710	20	30		BCEDMN
C=CC[C@H](CO)NC[C@H](C#N)CCC#N	ZINC000576040807	365459614	/nfs/dbraw/zinc/45/96/14/365459614.db2.gz	ULIHUZFHJSAFFW-WDEREUQCSA-N	0	1	207.277	0.957	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nnc(CC)[nH]1	ZINC000579673765	366959480	/nfs/dbraw/zinc/95/94/80/366959480.db2.gz	WDBGIUUZRHAMMJ-SFYZADRCSA-N	0	1	236.275	0.897	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(CC)n[nH]1	ZINC000579673765	366959486	/nfs/dbraw/zinc/95/94/86/366959486.db2.gz	WDBGIUUZRHAMMJ-SFYZADRCSA-N	0	1	236.275	0.897	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCN(C)C1	ZINC000184435447	367077213	/nfs/dbraw/zinc/07/72/13/367077213.db2.gz	BQVSHMKPDIJMSD-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C[C@@H](O)CN(Cc1ccc(C#N)cn1)[C@H](C)CO	ZINC000581455299	367478683	/nfs/dbraw/zinc/47/86/83/367478683.db2.gz	CZBXHKWGQCENJO-GHMZBOCLSA-N	0	1	249.314	0.517	20	30		BCEDMN
C[C@H](CCC#N)N1CCN(C[C@H](C)O)CC1	ZINC000581610421	367633595	/nfs/dbraw/zinc/63/35/95/367633595.db2.gz	NDJZNKBQEICBOK-NEPJUHHUSA-N	0	1	225.336	0.677	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000259276074	370889984	/nfs/dbraw/zinc/88/99/84/370889984.db2.gz	ZTVICOQTZMRQKA-LBPRGKRZSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCNC(=O)CSc1n[nH]c(CC)n1	ZINC000021587227	367979127	/nfs/dbraw/zinc/97/91/27/367979127.db2.gz	XPNMSZUDMVQJDK-UHFFFAOYSA-N	0	1	226.305	0.761	20	30		BCEDMN
C=CCNC(=O)CSc1nc(CC)n[nH]1	ZINC000021587227	367979136	/nfs/dbraw/zinc/97/91/36/367979136.db2.gz	XPNMSZUDMVQJDK-UHFFFAOYSA-N	0	1	226.305	0.761	20	30		BCEDMN
C=C1CCN(C(=O)Cc2ncn[nH]2)CC1	ZINC000630931152	367984836	/nfs/dbraw/zinc/98/48/36/367984836.db2.gz	NRSNXRDSKPHQES-UHFFFAOYSA-N	0	1	206.249	0.526	20	30		BCEDMN
NC(=O)CCNCC#Cc1cccc(F)c1	ZINC000581999033	368104781	/nfs/dbraw/zinc/10/47/81/368104781.db2.gz	MECLAPTVXNEDNC-UHFFFAOYSA-N	0	1	220.247	0.642	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)c2cnc[nH]2)C1	ZINC000615580960	368113192	/nfs/dbraw/zinc/11/31/92/368113192.db2.gz	DVGHUFBWVFYBHS-SECBINFHSA-N	0	1	208.196	0.487	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)c2ccn[nH]2)C1	ZINC000615662269	368197652	/nfs/dbraw/zinc/19/76/52/368197652.db2.gz	UNUWZSUUHJTAFK-VIFPVBQESA-N	0	1	208.196	0.487	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCc1n[nH]c(C(C)C)n1	ZINC000615666034	368198214	/nfs/dbraw/zinc/19/82/14/368198214.db2.gz	ATQRPFZYGJDVAU-LLVKDONJSA-N	0	1	238.291	0.481	20	30		BCEDMN
N#CC1(C(=O)NCCc2nc[nH]n2)CCCC1	ZINC000080626659	368524783	/nfs/dbraw/zinc/52/47/83/368524783.db2.gz	OXFWLAAEPBGWCQ-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)Cc1n[nH]c(C)n1	ZINC000616100717	368951886	/nfs/dbraw/zinc/95/18/86/368951886.db2.gz	MLXPIXZNSMTLOH-SECBINFHSA-N	0	1	238.291	0.099	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2C[C@H](C(N)=O)C2)nn1	ZINC000623661413	369067635	/nfs/dbraw/zinc/06/76/35/369067635.db2.gz	RIPAEOUVJFXEIF-MGCOHNPYSA-N	0	1	249.318	0.208	20	30		BCEDMN
C=CCN(CC=C)CCN1C(=O)N[C@@H](C)C1=O	ZINC000459312331	203254605	/nfs/dbraw/zinc/25/46/05/203254605.db2.gz	YUZSYXXXURZDFL-JTQLQIEISA-N	0	1	237.303	0.601	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(CCCF)CC1	ZINC000402596917	369388104	/nfs/dbraw/zinc/38/81/04/369388104.db2.gz	MISGTGRLMYHTLP-NSHDSACASA-N	0	1	244.310	0.691	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCc2cn[nH]c2C1	ZINC000619719827	369550449	/nfs/dbraw/zinc/55/04/49/369550449.db2.gz	GDQGYZHENJAZOZ-JTQLQIEISA-N	0	1	221.260	0.495	20	30		BCEDMN
Cc1ccc(Cn2nnnc2CN)cc1C#N	ZINC000600966646	369581742	/nfs/dbraw/zinc/58/17/42/369581742.db2.gz	RTSDIZZQCCBBND-UHFFFAOYSA-N	0	1	228.259	0.360	20	30		BCEDMN
N#Cc1cncnc1N1CC(N2CCCC2)C1	ZINC000601193307	369603427	/nfs/dbraw/zinc/60/34/27/369603427.db2.gz	FJCLPAOHRXSNOW-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
C[C@H]1C[C@H](O)CN1Cc1cccc(C#N)n1	ZINC000602629700	369830088	/nfs/dbraw/zinc/83/00/88/369830088.db2.gz	ISNRGNYCNOXHIO-CABZTGNLSA-N	0	1	217.272	0.908	20	30		BCEDMN
CN(CCCO)Cc1cccc(C#N)n1	ZINC000602650695	369835696	/nfs/dbraw/zinc/83/56/96/369835696.db2.gz	GLNJRFUUFBJAEH-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
CCNC(=O)CN(C)CCCSCC#N	ZINC000074981977	370065807	/nfs/dbraw/zinc/06/58/07/370065807.db2.gz	MHYIJTQRZGOVEQ-UHFFFAOYSA-N	0	1	229.349	0.701	20	30		BCEDMN
CCOC[C@H](O)CN[C@@H](CC)CC#N	ZINC000308687912	370149482	/nfs/dbraw/zinc/14/94/82/370149482.db2.gz	QJLSMHRWTVOPKH-VHSXEESVSA-N	0	1	200.282	0.666	20	30		BCEDMN
COCCN(CCC#N)C(=O)c1cnc[nH]1	ZINC000077108957	370395696	/nfs/dbraw/zinc/39/56/96/370395696.db2.gz	NMGMIMGWVVEECC-UHFFFAOYSA-N	0	1	222.248	0.412	20	30		BCEDMN
N#CCCNCC1(N2CCOCC2)CC1	ZINC000568502585	326360279	/nfs/dbraw/zinc/36/02/79/326360279.db2.gz	VDXLIXINHCCVPG-UHFFFAOYSA-N	0	1	209.293	0.354	20	30		BCEDMN
C[C@@H](C(=O)N(C)C1(C#N)CCC1)N(C)C	ZINC000078694566	370591055	/nfs/dbraw/zinc/59/10/55/370591055.db2.gz	IEZAMORBVFEWCV-VIFPVBQESA-N	0	1	209.293	0.841	20	30		BCEDMN
C=CCCn1cc(CNCC2COC2)nn1	ZINC000623761766	371084515	/nfs/dbraw/zinc/08/45/15/371084515.db2.gz	UXYVGHMTZVUCJK-UHFFFAOYSA-N	0	1	222.292	0.590	20	30		BCEDMN
CN(C[C@@H]1CCC[N@H+]1C)c1cnc(C#N)cn1	ZINC000092631046	371107023	/nfs/dbraw/zinc/10/70/23/371107023.db2.gz	GIRMYJHAAWXHIY-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
CCc1nnc(Cn2cnc(C#N)c2C#N)[nH]1	ZINC000330059288	371220638	/nfs/dbraw/zinc/22/06/38/371220638.db2.gz	KSGWCBIMSMNTLB-UHFFFAOYSA-N	0	1	227.231	0.355	20	30		BCEDMN
CC1(C#N)CN(C(=O)Cc2ccn[nH]2)C1	ZINC000280577264	371337545	/nfs/dbraw/zinc/33/75/45/371337545.db2.gz	WOEARAXBVUHCCS-UHFFFAOYSA-N	0	1	204.233	0.324	20	30		BCEDMN
Cc1nc([C@H](C)Nc2cc(C#N)ncn2)n[nH]1	ZINC000392499047	371399767	/nfs/dbraw/zinc/39/97/67/371399767.db2.gz	IRPSZJLUZBOLJT-LURJTMIESA-N	0	1	229.247	0.948	20	30		BCEDMN
C=C(C)COCCNC(=O)CCc1c[nH]nn1	ZINC000631820562	372593486	/nfs/dbraw/zinc/59/34/86/372593486.db2.gz	WERRSDRPAPNDGD-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C=C(C)COCCNC(=O)CCc1cnn[nH]1	ZINC000631820562	372593493	/nfs/dbraw/zinc/59/34/93/372593493.db2.gz	WERRSDRPAPNDGD-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
CCCc1cc(C(=O)N2CCOC[C@H]2C#N)n[nH]1	ZINC000173132143	373212960	/nfs/dbraw/zinc/21/29/60/373212960.db2.gz	QWXMFPACSWOSPQ-SNVBAGLBSA-N	0	1	248.286	0.727	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1nnc[nH]1	ZINC000633320544	373475080	/nfs/dbraw/zinc/47/50/80/373475080.db2.gz	OKHJITYOVAVANR-BDAKNGLRSA-N	0	1	236.275	0.197	20	30		BCEDMN
C=CC(C)(C)CCNC(=O)CCc1nn[nH]n1	ZINC000633668628	373673246	/nfs/dbraw/zinc/67/32/46/373673246.db2.gz	GTBHKBOZRZRWJQ-UHFFFAOYSA-N	0	1	237.307	0.851	20	30		BCEDMN
CCCN(C)CC(=O)Nc1n[nH]c(C)c1C#N	ZINC000357264866	169075411	/nfs/dbraw/zinc/07/54/11/169075411.db2.gz	WIBYIQJERNDOGM-UHFFFAOYSA-N	0	1	235.291	0.870	20	30		BCEDMN
C=C(C)CN(C)[C@@H](C)C(=O)NCC(=O)OC	ZINC000181261123	134334338	/nfs/dbraw/zinc/33/43/38/134334338.db2.gz	GMGGUJLUQKXHJI-VIFPVBQESA-N	0	1	228.292	0.172	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)NC(=O)NC1CC1	ZINC000078282510	383905062	/nfs/dbraw/zinc/90/50/62/383905062.db2.gz	IUXNANVRBBXBTI-UHFFFAOYSA-N	0	1	239.319	0.873	20	30		BCEDMN
CC(C)C1CCN(CC(=O)NCC#N)CC1	ZINC000075833770	384041783	/nfs/dbraw/zinc/04/17/83/384041783.db2.gz	YXGHRWRWAUGSGO-UHFFFAOYSA-N	0	1	223.320	0.994	20	30		BCEDMN
C#CCCCN1CCOC[C@@H]1CC(=O)OC	ZINC000367806771	533036515	/nfs/dbraw/zinc/03/65/15/533036515.db2.gz	QKYQXWNSNUAZFN-NSHDSACASA-N	0	1	225.288	0.664	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN(C(C)=O)C[C@H]1C	ZINC000357309355	384170549	/nfs/dbraw/zinc/17/05/49/384170549.db2.gz	TYRMDTXNWUVLKA-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
Cc1[nH]ncc1CNc1nccnc1C#N	ZINC000054377569	384304702	/nfs/dbraw/zinc/30/47/02/384304702.db2.gz	RUQLVNKFSOZKRG-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
COCCOCC(=O)Nc1nnc(C)[nH]1	ZINC000083529984	384308654	/nfs/dbraw/zinc/30/86/54/384308654.db2.gz	KHHGNDWHIWDKNK-UHFFFAOYSA-N	0	1	214.225	0.364	20	30		BCEDMN
COCCOCC(=O)Nc1nc(C)n[nH]1	ZINC000083529984	384308661	/nfs/dbraw/zinc/30/86/61/384308661.db2.gz	KHHGNDWHIWDKNK-UHFFFAOYSA-N	0	1	214.225	0.364	20	30		BCEDMN
C#CCCN1CCN2C(=O)N(C)C[C@H]2C1	ZINC000373247534	533054857	/nfs/dbraw/zinc/05/48/57/533054857.db2.gz	RGYBKYUGOXFAOJ-JTQLQIEISA-N	0	1	207.277	0.061	20	30		BCEDMN
CO[C@@H]1C[C@@H](CO)N(Cc2cc(C#N)n(C)c2)C1	ZINC000284650040	384282635	/nfs/dbraw/zinc/28/26/35/384282635.db2.gz	VETIUVUFFIQIBJ-QWHCGFSZSA-N	0	1	249.314	0.478	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)C2(C#N)CCC2)n1	ZINC000331607295	384392575	/nfs/dbraw/zinc/39/25/75/384392575.db2.gz	OTWCSLFRCCNOSH-UHFFFAOYSA-N	0	1	233.275	0.466	20	30		BCEDMN
C[C@@H](C#N)C(=O)N(C)[C@@H]1CN2CCC1CC2	ZINC000334192762	384381738	/nfs/dbraw/zinc/38/17/38/384381738.db2.gz	JPNYMGVUBZZTBA-GXSJLCMTSA-N	0	1	221.304	0.699	20	30		BCEDMN
C[C@H](C#N)CN[C@@H]1CCC(=O)NC1(C)C	ZINC000335607817	384386854	/nfs/dbraw/zinc/38/68/54/384386854.db2.gz	HXZGOHKWOBXLHK-RKDXNWHRSA-N	0	1	209.293	0.793	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1cccc2nn[nH]c21	ZINC000180103769	384440896	/nfs/dbraw/zinc/44/08/96/384440896.db2.gz	HIPPRJDLKYUDTF-UHFFFAOYSA-N	0	1	238.250	0.667	20	30		BCEDMN
COc1ccccc1[C@H](C)NCC(=O)NCC#N	ZINC000149245828	384474613	/nfs/dbraw/zinc/47/46/13/384474613.db2.gz	RQJYXPULVIIEBL-JTQLQIEISA-N	0	1	247.298	0.986	20	30		BCEDMN
N#Cc1csc(C(=O)NCCc2nc[nH]n2)c1	ZINC000084405936	384495483	/nfs/dbraw/zinc/49/54/83/384495483.db2.gz	LMSAJFXSASVCGB-UHFFFAOYSA-N	0	1	247.283	0.710	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H](C)O[C@H](CO)C1	ZINC000249510004	384506371	/nfs/dbraw/zinc/50/63/71/384506371.db2.gz	ZPQZMIWPGGZNMK-WOPDTQHZSA-N	0	1	229.320	0.395	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2CCC2)CC1	ZINC000040221818	384542406	/nfs/dbraw/zinc/54/24/06/384542406.db2.gz	LCSMMXRPEKAWRK-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCCCN1CCSC[C@@H]1CO	ZINC000308394831	384660800	/nfs/dbraw/zinc/66/08/00/384660800.db2.gz	CTLISABVBUBFEC-VIFPVBQESA-N	0	1	200.307	0.700	20	30		BCEDMN
C#CCNC(=O)[C@](C)(N)c1ccccc1	ZINC000052881291	384715528	/nfs/dbraw/zinc/71/55/28/384715528.db2.gz	GMDBOXASGXLRBF-GFCCVEGCSA-N	0	1	202.257	0.610	20	30		BCEDMN
C[NH+](C)CCNC(=O)c1ccc(C#N)c([O-])c1	ZINC000188212119	384837495	/nfs/dbraw/zinc/83/74/95/384837495.db2.gz	LZLHTVARANEWLX-UHFFFAOYSA-N	0	1	233.271	0.555	20	30		BCEDMN
C=CCCS(=O)(=O)N1CC[C@@H]2CN(C)C[C@H]21	ZINC000644298926	384809871	/nfs/dbraw/zinc/80/98/71/384809871.db2.gz	IBOMUXZOTMLFDY-GHMZBOCLSA-N	0	1	244.360	0.528	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCc1cnc[nH]1	ZINC000354369627	384873425	/nfs/dbraw/zinc/87/34/25/384873425.db2.gz	URENLCWGKSVGIG-SNVBAGLBSA-N	0	1	209.249	0.353	20	30		BCEDMN
C#CCOCCNc1ccncc1C(N)=O	ZINC000302137703	384956381	/nfs/dbraw/zinc/95/63/81/384956381.db2.gz	FLSYJOUDZGTPRY-UHFFFAOYSA-N	0	1	219.244	0.242	20	30		BCEDMN
C=CCCCC(=O)Nc1nn[nH]c1C(N)=O	ZINC000297702236	384895780	/nfs/dbraw/zinc/89/57/80/384895780.db2.gz	IJXORXFUXNZKOK-UHFFFAOYSA-N	0	1	223.236	0.198	20	30		BCEDMN
C=CCN(C(=O)CCCc1nn[nH]n1)C1CC1	ZINC000635766452	384906953	/nfs/dbraw/zinc/90/69/53/384906953.db2.gz	UOQNRNNLDSUOPD-UHFFFAOYSA-N	0	1	235.291	0.699	20	30		BCEDMN
C=CC[C@@H](CO)NCc1snnc1C	ZINC000320292401	384917898	/nfs/dbraw/zinc/91/78/98/384917898.db2.gz	QTVHUPDNEXCECF-QMMMGPOBSA-N	0	1	213.306	0.873	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1c1ccnc(C#N)c1	ZINC000450959965	384986326	/nfs/dbraw/zinc/98/63/26/384986326.db2.gz	ZIIKPCZMCXWVCH-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)Nc1nn[nH]c1C(N)=O	ZINC000297932081	384999251	/nfs/dbraw/zinc/99/92/51/384999251.db2.gz	YPGJJMWACFEAOD-ZCFIWIBFSA-N	0	1	237.263	0.444	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000646910288	385053535	/nfs/dbraw/zinc/05/35/35/385053535.db2.gz	PAHDQQDRWWBRMM-IUCAKERBSA-N	0	1	221.260	0.450	20	30		BCEDMN
N#Cc1ccc(NCCN2CCCOCC2)nn1	ZINC000188494734	385061974	/nfs/dbraw/zinc/06/19/74/385061974.db2.gz	LPZZLHMLEYSXPN-UHFFFAOYSA-N	0	1	247.302	0.482	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(C#N)CC2)CC1	ZINC000408365025	385038575	/nfs/dbraw/zinc/03/85/75/385038575.db2.gz	FFXJHQSDONAJLV-NSHDSACASA-N	0	1	223.320	0.289	20	30		BCEDMN
C#CCNC(=O)c1cccc(-c2nnc[nH]2)c1	ZINC000157189773	385099416	/nfs/dbraw/zinc/09/94/16/385099416.db2.gz	CUGLYISASKBDRF-UHFFFAOYSA-N	0	1	226.239	0.835	20	30		BCEDMN
N#Cc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1	ZINC000236530102	385149642	/nfs/dbraw/zinc/14/96/42/385149642.db2.gz	IZFHPAIZOMSGFX-VXGBXAGGSA-N	0	1	218.256	0.096	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1cn(C)nn1	ZINC000308867618	385224733	/nfs/dbraw/zinc/22/47/33/385224733.db2.gz	GWGIPXYEQVVGFU-SECBINFHSA-N	0	1	210.281	0.089	20	30		BCEDMN
C[C@@H](C#N)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000044828244	385228367	/nfs/dbraw/zinc/22/83/67/385228367.db2.gz	LZVGJDSJBMOZJK-DTWKUNHWSA-N	0	1	207.277	0.499	20	30		BCEDMN
CN(Cc1nnc[nH]1)[C@@H]1CC[C@H](C#N)C1	ZINC000407991290	385318628	/nfs/dbraw/zinc/31/86/28/385318628.db2.gz	UUSLSYVAXWWJGU-DTWKUNHWSA-N	0	1	205.265	0.929	20	30		BCEDMN
N#CCN1CCN(C[C@H]2CCC=CO2)CC1	ZINC000191073357	385279888	/nfs/dbraw/zinc/27/98/88/385279888.db2.gz	NVQPYVKNWLVWIM-GFCCVEGCSA-N	0	1	221.304	0.820	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)NC[C@H]2C1	ZINC000247628057	385358783	/nfs/dbraw/zinc/35/87/83/385358783.db2.gz	UMONGUFFBFQJTA-WDEREUQCSA-N	0	1	239.319	0.023	20	30		BCEDMN
C=C[C@@H](CO)NCc1ccc(OC)nc1	ZINC000309086627	385410834	/nfs/dbraw/zinc/41/08/34/385410834.db2.gz	YJYJPYMLXJHXQU-JTQLQIEISA-N	0	1	208.261	0.727	20	30		BCEDMN
CN(C)CC(=O)NCc1ccc(OCC#N)cc1	ZINC000170784254	385445724	/nfs/dbraw/zinc/44/57/24/385445724.db2.gz	HDOQNHJQMYBDRE-UHFFFAOYSA-N	0	1	247.298	0.767	20	30		BCEDMN
C=CC[C@H](CO)NCc1ncc(C)n1C	ZINC000309167495	385446051	/nfs/dbraw/zinc/44/60/51/385446051.db2.gz	JSHZGKHZVQUJAB-SNVBAGLBSA-N	0	1	209.293	0.755	20	30		BCEDMN
C=CCCCNC(=O)NCCN1CCC1	ZINC000448380369	385473724	/nfs/dbraw/zinc/47/37/24/385473724.db2.gz	FOQZPOQNPZFHMA-UHFFFAOYSA-N	0	1	211.309	0.958	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000408032990	385515204	/nfs/dbraw/zinc/51/52/04/385515204.db2.gz	GFGNDXTZAKKFCM-BDAKNGLRSA-N	0	1	247.302	0.528	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000408032990	385515210	/nfs/dbraw/zinc/51/52/10/385515210.db2.gz	GFGNDXTZAKKFCM-BDAKNGLRSA-N	0	1	247.302	0.528	20	30		BCEDMN
N#Cc1ccc(N2CCN(C3CC3)CC2)nc1N	ZINC000564470169	385544613	/nfs/dbraw/zinc/54/46/13/385544613.db2.gz	KWDVVQVXSRLARI-UHFFFAOYSA-N	0	1	243.314	0.820	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCCN(C)C	ZINC000187407089	385595215	/nfs/dbraw/zinc/59/52/15/385595215.db2.gz	ODNHRAQJWNGPNV-UHFFFAOYSA-N	0	1	206.311	0.044	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1nccc(C#N)n1	ZINC000408455804	385688089	/nfs/dbraw/zinc/68/80/89/385688089.db2.gz	FIFZYTKOMFKAHY-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCCc2nn(C)cc21	ZINC000309585532	385717869	/nfs/dbraw/zinc/71/78/69/385717869.db2.gz	SCOSCNYBQDZYDJ-KOLCDFICSA-N	0	1	221.304	0.934	20	30		BCEDMN
C[C@H](CO)CNCc1nc(C#N)cs1	ZINC000336656887	385815835	/nfs/dbraw/zinc/81/58/35/385815835.db2.gz	PCKKIKAADBGYAC-ZETCQYMHSA-N	0	1	211.290	0.733	20	30		BCEDMN
C#CCN1CCC(N2C(=O)CCCC2=O)CC1	ZINC000372807356	533151023	/nfs/dbraw/zinc/15/10/23/533151023.db2.gz	WPTRTDMRICFSCZ-UHFFFAOYSA-N	0	1	234.299	0.623	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1ccc(C#N)cn1	ZINC000111821639	385862624	/nfs/dbraw/zinc/86/26/24/385862624.db2.gz	MOPUJUGVBUKEEI-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C#CCN1CCC(c2ccnn2CCO)CC1	ZINC000195508716	533149650	/nfs/dbraw/zinc/14/96/50/533149650.db2.gz	YNNABJVVDIVIRQ-UHFFFAOYSA-N	0	1	233.315	0.688	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@H](CO)OC(C)(C)C1	ZINC000643253316	385988080	/nfs/dbraw/zinc/98/80/80/385988080.db2.gz	JKWIKOQRCHNWBQ-MNOVXSKESA-N	0	1	229.320	0.395	20	30		BCEDMN
C#CCN1CCC2(CC1)SCC(=O)N2C	ZINC000371624139	533152331	/nfs/dbraw/zinc/15/23/31/533152331.db2.gz	ILVVMOFCIKIMLB-UHFFFAOYSA-N	0	1	224.329	0.617	20	30		BCEDMN
N#Cc1csc(C(=O)Nc2nn[nH]n2)c1	ZINC000438329592	385970415	/nfs/dbraw/zinc/97/04/15/385970415.db2.gz	GSEGGGHIURFFPV-UHFFFAOYSA-N	0	1	220.217	0.385	20	30		BCEDMN
Cc1nc(C(=O)N2CCN[C@H](C)C2)ccc1C#N	ZINC000569587226	386000941	/nfs/dbraw/zinc/00/09/41/386000941.db2.gz	AJWMTIZNIBITFD-SECBINFHSA-N	0	1	244.298	0.696	20	30		BCEDMN
N#CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000345147775	386012589	/nfs/dbraw/zinc/01/25/89/386012589.db2.gz	JJXBUXONOVPILO-UHFFFAOYSA-N	0	1	223.192	0.351	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N	ZINC000345871273	386138778	/nfs/dbraw/zinc/13/87/78/386138778.db2.gz	BFCXAKLNVSDPGI-UTUOFQBUSA-N	0	1	248.330	0.934	20	30		BCEDMN
C[C@H]1CN(CC2(C#N)CC2)CCN1CCO	ZINC000408352666	386198157	/nfs/dbraw/zinc/19/81/57/386198157.db2.gz	SYNLAJYYCVCDLH-NSHDSACASA-N	0	1	223.320	0.289	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)C1CC1	ZINC000347220840	386286838	/nfs/dbraw/zinc/28/68/38/386286838.db2.gz	BOTWVRRLHHEZBC-POYBYMJQSA-N	0	1	210.233	0.214	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000416457499	386310417	/nfs/dbraw/zinc/31/04/17/386310417.db2.gz	OHPSWOKHWSHUTE-BBBLOLIVSA-N	0	1	245.348	0.301	20	30		BCEDMN
CN(CCC(N)=O)Cc1ccc(C#N)o1	ZINC000289765523	386352944	/nfs/dbraw/zinc/35/29/44/386352944.db2.gz	RCEUREVNNOCSLH-UHFFFAOYSA-N	0	1	207.233	0.458	20	30		BCEDMN
CC#CC[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000280935409	386359881	/nfs/dbraw/zinc/35/98/81/386359881.db2.gz	HKODPAUMHGNAHU-UHFFFAOYSA-N	0	1	220.276	0.301	20	30		BCEDMN
C=CCSCCNC(=O)N1CCN[C@H](C)C1	ZINC000417347850	386488148	/nfs/dbraw/zinc/48/81/48/386488148.db2.gz	WYAMKTOUPCNSSC-SNVBAGLBSA-N	0	1	243.376	0.909	20	30		BCEDMN
C[C@@H]1CN(CCCCC#N)C[C@H](C(N)=O)O1	ZINC000122858676	386522920	/nfs/dbraw/zinc/52/29/20/386522920.db2.gz	SXJXCYIHJURRIS-NXEZZACHSA-N	0	1	225.292	0.255	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1	ZINC000572038238	386464715	/nfs/dbraw/zinc/46/47/15/386464715.db2.gz	IPMTWRMWMONKJR-UONOGXRCSA-N	0	1	246.310	0.733	20	30		BCEDMN
N#CCSCC(=O)NCCN1CCCCC1	ZINC000046856391	386537616	/nfs/dbraw/zinc/53/76/16/386537616.db2.gz	VPUSOAKBFDGTDP-UHFFFAOYSA-N	0	1	241.360	0.845	20	30		BCEDMN
C[C@H](O)C[C@H]1CCCCN1CC(=O)NCC#N	ZINC000123668217	386562951	/nfs/dbraw/zinc/56/29/51/386562951.db2.gz	QKIIXKDDUXAQRB-WDEREUQCSA-N	0	1	239.319	0.252	20	30		BCEDMN
CO[C@@H]1CCN(CC(=O)NCC#N)[C@@H](C)C1	ZINC000408424112	386573745	/nfs/dbraw/zinc/57/37/45/386573745.db2.gz	CYQRZKRKGLOCOT-VHSXEESVSA-N	0	1	225.292	0.125	20	30		BCEDMN
O=C(NCCN1CCC1)[C@@H]1CCC(=O)N1	ZINC000328782867	386626319	/nfs/dbraw/zinc/62/63/19/386626319.db2.gz	JTRSSCJCWDLFGA-QMMMGPOBSA-N	0	1	211.265	0.768	20	30		BCEDMN
C=CCN1CC[C@H](N(C)Cc2nnc[nH]2)C1=O	ZINC000328837625	386629861	/nfs/dbraw/zinc/62/98/61/386629861.db2.gz	TVAXNAQYNDDYFJ-VIFPVBQESA-N	0	1	235.291	0.023	20	30		BCEDMN
C=CCNC(=O)CN1CCCC[C@@H]1CO	ZINC000049751336	386656300	/nfs/dbraw/zinc/65/63/00/386656300.db2.gz	VQLRSVNDXPEAPR-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CC)CCO	ZINC000049754329	386654487	/nfs/dbraw/zinc/65/44/87/386654487.db2.gz	BOMFBHOBIDRXCS-UHFFFAOYSA-N	0	1	226.320	0.501	20	30		BCEDMN
N#CCCNCCCN1C(=O)CCC1=O	ZINC000520219147	386604184	/nfs/dbraw/zinc/60/41/84/386604184.db2.gz	WUPFCXPFWIQOTK-UHFFFAOYSA-N	0	1	209.249	0.029	20	30		BCEDMN
Cn1nncc1C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000328674299	386606454	/nfs/dbraw/zinc/60/64/54/386606454.db2.gz	PXMPHKMZLVSYPR-MRVPVSSYSA-N	0	1	235.291	0.356	20	30		BCEDMN
CNS(=O)(=O)C[C@@H]1CCCN1CCCC#N	ZINC000330363711	386673391	/nfs/dbraw/zinc/67/33/91/386673391.db2.gz	PUWXUZJSKUYOAR-JTQLQIEISA-N	0	1	245.348	0.304	20	30		BCEDMN
CC[C@H](C)N(C)C([O-])=[NH+]CCn1cncn1	ZINC000330419893	386709448	/nfs/dbraw/zinc/70/94/48/386709448.db2.gz	GCGMMOYQYNEWIV-VIFPVBQESA-N	0	1	225.296	0.922	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)NCCC(=O)OC	ZINC000066863659	386708619	/nfs/dbraw/zinc/70/86/19/386708619.db2.gz	PDJKVBNBQCBYIJ-UHFFFAOYSA-N	0	1	242.319	0.564	20	30		BCEDMN
C[C@H]1CN(C(=O)CC#N)CCN1CC(C)(C)O	ZINC000408441103	386730656	/nfs/dbraw/zinc/73/06/56/386730656.db2.gz	GWKKOPRZUAUQJO-JTQLQIEISA-N	0	1	239.319	0.204	20	30		BCEDMN
CS[C@H](C)CNC(=O)N(C)Cc1nnc[nH]1	ZINC000330489062	386735810	/nfs/dbraw/zinc/73/58/10/386735810.db2.gz	JWDSENKOKKVLME-SSDOTTSWSA-N	0	1	243.336	0.902	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCCC1=O	ZINC000405430446	386728897	/nfs/dbraw/zinc/72/88/97/386728897.db2.gz	JUDIZCUAWUJDIV-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000330550471	386765348	/nfs/dbraw/zinc/76/53/48/386765348.db2.gz	XEHZFBFAKAFFMF-UWVGGRQHSA-N	0	1	241.360	0.842	20	30		BCEDMN
C[C@H](CN(C)C)NS(=O)(=O)CC1(C#N)CC1	ZINC000344890074	386791963	/nfs/dbraw/zinc/79/19/63/386791963.db2.gz	SXOYKXPEZZJHPB-SECBINFHSA-N	0	1	245.348	0.160	20	30		BCEDMN
C[C@H](Cn1ccnc1)[NH+]=C([O-])N(C)CCO	ZINC000330572485	386793764	/nfs/dbraw/zinc/79/37/64/386793764.db2.gz	FZWZFWAHKYQUAU-SECBINFHSA-N	0	1	226.280	0.110	20	30		BCEDMN
CCc1cc(C(=O)N(C)CCC#N)n[nH]1	ZINC000330631266	386825426	/nfs/dbraw/zinc/82/54/26/386825426.db2.gz	FRSNKUARNZNXNJ-UHFFFAOYSA-N	0	1	206.249	0.958	20	30		BCEDMN
CC#CCN(C)C(=O)CCc1nc[nH]n1	ZINC000341059459	386831316	/nfs/dbraw/zinc/83/13/16/386831316.db2.gz	ZNJUMZAROZQKDL-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
CCn1c(S(=O)(=O)CCCC#N)n[nH]c1=O	ZINC000330730062	386886084	/nfs/dbraw/zinc/88/60/84/386886084.db2.gz	OVQSVZODDMIOCC-UHFFFAOYSA-N	0	1	244.276	0.081	20	30		BCEDMN
COCCO[C@H]1COCC[C@@H]1NCCC#N	ZINC000515166852	387341445	/nfs/dbraw/zinc/34/14/45/387341445.db2.gz	LEBDEALDMPNVSI-QWRGUYRKSA-N	0	1	228.292	0.310	20	30		BCEDMN
Cn1cc(CN2CCC[C@@H](O)C2)cc1C#N	ZINC000191164014	387350642	/nfs/dbraw/zinc/35/06/42/387350642.db2.gz	DNWAHXKROGVYPR-GFCCVEGCSA-N	0	1	219.288	0.853	20	30		BCEDMN
C#CCCN(CCO)Cc1cccnc1	ZINC000270635174	387434300	/nfs/dbraw/zinc/43/43/00/387434300.db2.gz	QVASNCSACFHHGO-UHFFFAOYSA-N	0	1	204.273	0.899	20	30		BCEDMN
C=C1CCN(C[C@@](C)(O)C(=O)OCC)CC1	ZINC000274594220	387482701	/nfs/dbraw/zinc/48/27/01/387482701.db2.gz	KXABFTLGYDKDHX-GFCCVEGCSA-N	0	1	227.304	0.953	20	30		BCEDMN
C[C@@H](NCC(=O)NCC#N)c1ccc(C#N)cc1	ZINC000037749596	387565064	/nfs/dbraw/zinc/56/50/64/387565064.db2.gz	IBPSDEVZEJAODF-SNVBAGLBSA-N	0	1	242.282	0.849	20	30		BCEDMN
C=C(CC)CN1CCOC[C@@H]1CC(N)=O	ZINC000452093551	387736302	/nfs/dbraw/zinc/73/63/02/387736302.db2.gz	XXKXVJBPABTIFL-JTQLQIEISA-N	0	1	212.293	0.529	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](N)CC(=O)OC	ZINC000422904328	387767644	/nfs/dbraw/zinc/76/76/44/387767644.db2.gz	GVSYEYHGDMFTBL-VIFPVBQESA-N	0	1	226.276	0.077	20	30		BCEDMN
CN(Cc1ccc(C#N)o1)Cc1nnc[nH]1	ZINC000353718473	387832362	/nfs/dbraw/zinc/83/23/62/387832362.db2.gz	XOTJSSFJRMALHZ-UHFFFAOYSA-N	0	1	217.232	0.901	20	30		BCEDMN
CC[C@@H](CC#N)N[C@H](C)COCC(=O)OC	ZINC000449243103	388161984	/nfs/dbraw/zinc/16/19/84/388161984.db2.gz	IFUHNXAGLHXGRF-ZJUUUORDSA-N	0	1	228.292	0.846	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCN1C	ZINC000456265186	388189748	/nfs/dbraw/zinc/18/97/48/388189748.db2.gz	NXRWWHBNVOZTSW-UTUOFQBUSA-N	0	1	238.331	0.930	20	30		BCEDMN
C=CCn1cccc1C(=O)NCCc1nc[nH]n1	ZINC000488743192	388193222	/nfs/dbraw/zinc/19/32/22/388193222.db2.gz	HHSREYVBMHPLIW-UHFFFAOYSA-N	0	1	245.286	0.765	20	30		BCEDMN
C=CCn1cccc1C(=O)Nc1nn[nH]n1	ZINC000489061851	388203402	/nfs/dbraw/zinc/20/34/02/388203402.db2.gz	SDWKQUBRHFUAAN-UHFFFAOYSA-N	0	1	218.220	0.440	20	30		BCEDMN
C=CCCCS(=O)(=O)N[C@@H]1CCN(C)C1	ZINC000489096768	388204087	/nfs/dbraw/zinc/20/40/87/388204087.db2.gz	CLVCQPYISXEONB-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
C#CC[N@H+](CC)[C@@H](C)CN1CCOCC1	ZINC000490924217	388260393	/nfs/dbraw/zinc/26/03/93/388260393.db2.gz	OGAFPZJQBNOSAW-LBPRGKRZSA-N	0	1	210.321	0.662	20	30		BCEDMN
C#CCN(CC#CC)C(=O)c1cc(C)[nH]n1	ZINC000490687231	388247442	/nfs/dbraw/zinc/24/74/42/388247442.db2.gz	AONHBYKFBHNMSD-UHFFFAOYSA-N	0	1	215.256	0.817	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)COc1ccccc1	ZINC000491453912	388295939	/nfs/dbraw/zinc/29/59/39/388295939.db2.gz	UKTSRKWHLIAQOL-RYUDHWBXSA-N	0	1	235.283	0.010	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccccc1F	ZINC000491473574	388297344	/nfs/dbraw/zinc/29/73/44/388297344.db2.gz	FPLXSSGPLYUTEH-BXKDBHETSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccccc1F	ZINC000491473576	388297441	/nfs/dbraw/zinc/29/74/41/388297441.db2.gz	FPLXSSGPLYUTEH-JOYOIKCWSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H]1CCNC(=O)CC1	ZINC000491555560	388303532	/nfs/dbraw/zinc/30/35/32/388303532.db2.gz	RQMKQAGRUGXZBT-ZDUSSCGKSA-N	0	1	232.327	0.861	20	30		BCEDMN
C#CCN(CCN1C(=O)N[C@@H](C)C1=O)C1CC1	ZINC000491556101	388303658	/nfs/dbraw/zinc/30/36/58/388303658.db2.gz	WEOSJUNAZPPEPS-VIFPVBQESA-N	0	1	235.287	0.024	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CSc1nnc(C)[nH]1	ZINC000491615974	388305004	/nfs/dbraw/zinc/30/50/04/388305004.db2.gz	HOMRYEZRNVSIKZ-SSDOTTSWSA-N	0	1	238.316	0.685	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CSc1nc(C)n[nH]1	ZINC000491615974	388305005	/nfs/dbraw/zinc/30/50/05/388305005.db2.gz	HOMRYEZRNVSIKZ-SSDOTTSWSA-N	0	1	238.316	0.685	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NCc1n[nH]c(CC)n1	ZINC000491626939	388306215	/nfs/dbraw/zinc/30/62/15/388306215.db2.gz	NAQDOHILWWXKJY-VIFPVBQESA-N	0	1	249.318	0.968	20	30		BCEDMN
C#C[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O	ZINC000491631919	388306678	/nfs/dbraw/zinc/30/66/78/388306678.db2.gz	QLHBHFOTGAUXNX-VIFPVBQESA-N	0	1	237.303	0.270	20	30		BCEDMN
C#CCN1CCC(C(=O)OCc2cc[nH]n2)CC1	ZINC000491706190	388313479	/nfs/dbraw/zinc/31/34/79/388313479.db2.gz	QSRWQDJSKJWIEJ-UHFFFAOYSA-N	0	1	247.298	0.798	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(F)cc1	ZINC000491735404	388316065	/nfs/dbraw/zinc/31/60/65/388316065.db2.gz	UCDNTMPYXSICJM-RYUDHWBXSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)c1cc(CC)[nH]n1	ZINC000491761953	388318608	/nfs/dbraw/zinc/31/86/08/388318608.db2.gz	YJEAUNIBMNIDLV-JTQLQIEISA-N	0	1	233.271	0.446	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1cccc(Cl)c1	ZINC000491805107	388321919	/nfs/dbraw/zinc/32/19/19/388321919.db2.gz	ODAWDCVXKMVKQT-RYUDHWBXSA-N	0	1	239.702	0.957	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NCc1cn[nH]c1C	ZINC000491807092	388322065	/nfs/dbraw/zinc/32/20/65/388322065.db2.gz	BDFICGSNVWPUBR-QMMMGPOBSA-N	0	1	220.276	0.881	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@@H](CC)C1	ZINC000491120790	388271367	/nfs/dbraw/zinc/27/13/67/388271367.db2.gz	NTVHCEJJMRSCAR-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)C1CC[NH+](Cc2c[nH]cn2)CC1	ZINC000491154594	388273509	/nfs/dbraw/zinc/27/35/09/388273509.db2.gz	KKEDPYLZTFVLDF-UHFFFAOYSA-N	0	1	246.314	0.371	20	30		BCEDMN
CN(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC000272321551	388404009	/nfs/dbraw/zinc/40/40/09/388404009.db2.gz	KLOYSZJHUIIJBH-UHFFFAOYSA-N	0	1	218.260	0.272	20	30		BCEDMN
C=CCn1cc(C(=O)NCc2cc(C)[nH]n2)nn1	ZINC000648784120	388353707	/nfs/dbraw/zinc/35/37/07/388353707.db2.gz	CMLPKPNTOOZDIJ-UHFFFAOYSA-N	0	1	246.274	0.426	20	30		BCEDMN
C[NH+](C)C1CN(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000442669702	388360196	/nfs/dbraw/zinc/36/01/96/388360196.db2.gz	CYDIXDQMVZFQLM-UHFFFAOYSA-N	0	1	245.282	0.650	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](CCOC)CC(=O)[O-]	ZINC000572654071	388363042	/nfs/dbraw/zinc/36/30/42/388363042.db2.gz	XPYVNQYTAUDJCH-JTQLQIEISA-N	0	1	231.292	0.347	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2CC2)CC1	ZINC000040221782	388413337	/nfs/dbraw/zinc/41/33/37/388413337.db2.gz	LKQYCLCVGMEEOI-UHFFFAOYSA-N	0	1	207.277	0.501	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCOCC1CC1	ZINC000088600309	388533285	/nfs/dbraw/zinc/53/32/85/388533285.db2.gz	NYAMRDGLBQQMFI-LLVKDONJSA-N	0	1	238.331	0.483	20	30		BCEDMN
C=CCCCN1CCO[C@H](CNC(=O)NC)C1	ZINC000528621683	388552759	/nfs/dbraw/zinc/55/27/59/388552759.db2.gz	GDSYREPUEVCCHW-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000538227430	388681637	/nfs/dbraw/zinc/68/16/37/388681637.db2.gz	TYOARUTXFXZCCL-QMMMGPOBSA-N	0	1	248.290	0.455	20	30		BCEDMN
C#CCN(CC#C)C(=O)CCCCc1cn[nH]n1	ZINC000139633364	388647853	/nfs/dbraw/zinc/64/78/53/388647853.db2.gz	APFRKWFIUWLYMH-UHFFFAOYSA-N	0	1	244.298	0.613	20	30		BCEDMN
C#CCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-]	ZINC000191522098	388664797	/nfs/dbraw/zinc/66/47/97/388664797.db2.gz	YQEXJWHVOWWTHP-UHFFFAOYSA-N	0	1	236.231	0.586	20	30		BCEDMN
Cn1cc(CN2CCC(O)CC2)cc1C#N	ZINC000276778450	388741564	/nfs/dbraw/zinc/74/15/64/388741564.db2.gz	QENXRHHZTKOHHG-UHFFFAOYSA-N	0	1	219.288	0.853	20	30		BCEDMN
CO[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@@H]1OC	ZINC000277315562	388747071	/nfs/dbraw/zinc/74/70/71/388747071.db2.gz	SVQOLEUKFUKFHQ-BETUJISGSA-N	0	1	249.314	0.742	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC([C@H](C)O)CC1	ZINC000225782218	388690439	/nfs/dbraw/zinc/69/04/39/388690439.db2.gz	MTFNWLBPOBEFTL-QWRGUYRKSA-N	0	1	238.331	0.217	20	30		BCEDMN
COCC[C@H](CO)NCc1ccc(C#N)o1	ZINC000282359919	388816208	/nfs/dbraw/zinc/81/62/08/388816208.db2.gz	WCIWLLHVHBNDDC-SECBINFHSA-N	0	1	224.260	0.638	20	30		BCEDMN
CC(C)=CCn1c(=O)[nH]cc(C#N)c1=O	ZINC000335478825	388831030	/nfs/dbraw/zinc/83/10/30/388831030.db2.gz	NTNPXJWDUGXTJP-UHFFFAOYSA-N	0	1	205.217	0.374	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCC(F)(F)F)c1=O	ZINC000335480858	388831789	/nfs/dbraw/zinc/83/17/89/388831789.db2.gz	XUTXFIZTIXMGOG-UHFFFAOYSA-N	0	1	233.149	0.361	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CCCC2)c1=O	ZINC000335480920	388831819	/nfs/dbraw/zinc/83/18/19/388831819.db2.gz	ZQUCNLITYJRXGX-UHFFFAOYSA-N	0	1	219.244	0.598	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000541017261	388836888	/nfs/dbraw/zinc/83/68/88/388836888.db2.gz	DCZXAXMQQNOTME-OUAUKWLOSA-N	0	1	238.335	0.928	20	30		BCEDMN
N#CC1(CNC(=O)c2ccc3[nH]nnc3c2)CC1	ZINC000555862661	388861998	/nfs/dbraw/zinc/86/19/98/388861998.db2.gz	DJWMNTTUQBMWRE-UHFFFAOYSA-N	0	1	241.254	0.991	20	30		BCEDMN
COC(=O)[C@](C)(NC(=O)C(C)C#N)C1CC1	ZINC000565573365	388954516	/nfs/dbraw/zinc/95/45/16/388954516.db2.gz	LEVVYQWIITZENB-RDDDGLTNSA-N	0	1	224.260	0.604	20	30		BCEDMN
CN(CCC#N)C[C@H](O)CNCc1ccco1	ZINC000566108643	388987776	/nfs/dbraw/zinc/98/77/76/388987776.db2.gz	XBICCLZKKHMFRC-LLVKDONJSA-N	0	1	237.303	0.576	20	30		BCEDMN
CC(C)OCC[C@@H](O)CNC[C@H](C)C#N	ZINC000566116987	388989107	/nfs/dbraw/zinc/98/91/07/388989107.db2.gz	OJCMUZBRXFQRDK-GHMZBOCLSA-N	0	1	214.309	0.912	20	30		BCEDMN
CC(=O)NC1CN(C(=O)Cc2ccn[nH]2)C1	ZINC000329919059	533418469	/nfs/dbraw/zinc/41/84/69/533418469.db2.gz	RKEVBSGMLAGLLV-UHFFFAOYSA-N	0	1	222.248	0.139	20	30		BCEDMN
C=C(C)CS(=O)(=O)NC1CCN(CC)CC1	ZINC000357018809	533524109	/nfs/dbraw/zinc/52/41/09/533524109.db2.gz	MRSFWJKGCHZDHR-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
C[C@@H](O)CN1CCN(c2ccc(C#N)nc2)CC1	ZINC000267441683	132189915	/nfs/dbraw/zinc/18/99/15/132189915.db2.gz	YUMUPKXYFNMRST-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
CCN1CCN(c2nccc(C#N)n2)[C@H](C)C1	ZINC000295739345	132221012	/nfs/dbraw/zinc/22/10/12/132221012.db2.gz	XWNMZHZINJFUPD-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
CCCN1CCN(c2nccnc2C#N)CC1	ZINC000054379125	132364723	/nfs/dbraw/zinc/36/47/23/132364723.db2.gz	VDKDDHTUPHEPND-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
C[C@@H]1CCSCC[N@H+]1CC(=O)NCC#N	ZINC000335937746	134012915	/nfs/dbraw/zinc/01/29/15/134012915.db2.gz	KBMSZTIUSNLCMB-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
C[C@@H]1CCSCCN1CC(=O)NCC#N	ZINC000335937746	134012916	/nfs/dbraw/zinc/01/29/16/134012916.db2.gz	KBMSZTIUSNLCMB-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)C[C@H](C)OC	ZINC000353199205	134162308	/nfs/dbraw/zinc/16/23/08/134162308.db2.gz	BSYXGLOZRNXNRL-NSHDSACASA-N	0	1	241.335	0.715	20	30		BCEDMN
C[C@H](NC(=O)NCCCCC#N)c1nnc[nH]1	ZINC000353399719	134163681	/nfs/dbraw/zinc/16/36/81/134163681.db2.gz	NDSKSCFCSPDZBR-QMMMGPOBSA-N	0	1	236.279	0.859	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C	ZINC000355508225	134173501	/nfs/dbraw/zinc/17/35/01/134173501.db2.gz	KBJPANLWRKIVOX-GVXVVHGQSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=C[C@H](CO)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000356856867	134180622	/nfs/dbraw/zinc/18/06/22/134180622.db2.gz	QLLCRBFXEOHQHU-NXEZZACHSA-N	0	1	244.360	0.087	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NCc1nnc[nH]1	ZINC000358556130	134190252	/nfs/dbraw/zinc/19/02/52/134190252.db2.gz	FWUOCHSCNMSAPL-QMMMGPOBSA-N	0	1	224.264	0.402	20	30		BCEDMN
CCC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000358801430	134192479	/nfs/dbraw/zinc/19/24/79/134192479.db2.gz	DAYZOGBGXAHNHE-JGVFFNPUSA-N	0	1	212.249	0.604	20	30		BCEDMN
N#CC1(F)CCN(C(=O)c2ccn[nH]2)CC1	ZINC000359366862	134194670	/nfs/dbraw/zinc/19/46/70/134194670.db2.gz	YBKDORVVLDKHMV-UHFFFAOYSA-N	0	1	222.223	0.878	20	30		BCEDMN
C=CCOC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000360727213	134201831	/nfs/dbraw/zinc/20/18/31/134201831.db2.gz	VBLHRAJDGLLYBR-IUCAKERBSA-N	0	1	240.259	0.006	20	30		BCEDMN
N#C[C@H]1CN(C(=O)c2ccn[nH]2)CCN1C1CC1	ZINC000363079964	134215116	/nfs/dbraw/zinc/21/51/16/134215116.db2.gz	PEGITQITJVAAFN-JTQLQIEISA-N	0	1	245.286	0.222	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000367963571	134216738	/nfs/dbraw/zinc/21/67/38/134216738.db2.gz	MPFGFTWGDKCLQC-VHSXEESVSA-N	0	1	228.255	0.003	20	30		BCEDMN
CC#CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC000368976530	134221206	/nfs/dbraw/zinc/22/12/06/134221206.db2.gz	WXUZDFJATLJLCZ-HBNTYKKESA-N	0	1	206.289	0.596	20	30		BCEDMN
C=CCCCN1CCN(CC(=O)NCC)CC1	ZINC000117872404	134221829	/nfs/dbraw/zinc/22/18/29/134221829.db2.gz	PNRROLZZSSTUOL-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1CCCc2c[nH]nc21	ZINC000371267835	134228250	/nfs/dbraw/zinc/22/82/50/134228250.db2.gz	DVKOTNGTMNPTFP-LBPRGKRZSA-N	0	1	241.294	0.925	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)CCN1CCCC1	ZINC000120329736	134228763	/nfs/dbraw/zinc/22/87/63/134228763.db2.gz	FSIXLTNLOIBXSS-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
C=CCCN1CCOC[C@@H]1CC(=O)OC	ZINC000376540927	134242695	/nfs/dbraw/zinc/24/26/95/134242695.db2.gz	MJRSTNKIBPYULF-JTQLQIEISA-N	0	1	213.277	0.826	20	30		BCEDMN
N#CCSCCCN1CCNC(=O)CC1	ZINC000173882329	134278656	/nfs/dbraw/zinc/27/86/56/134278656.db2.gz	JRXHAOSGOKOKTN-UHFFFAOYSA-N	0	1	227.333	0.455	20	30		BCEDMN
C[C@H](C#N)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000181848131	134339956	/nfs/dbraw/zinc/33/99/56/134339956.db2.gz	NUXMSVUUISCAQC-GFCCVEGCSA-N	0	1	247.346	0.840	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCC(C)(C)O)C1=O	ZINC000337239843	135007626	/nfs/dbraw/zinc/00/76/26/135007626.db2.gz	ZWESSQXTKPJJFV-NSHDSACASA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@@H](C#N)N1CC[C@@H](CN2CCOCC2)C1	ZINC000248461360	135012137	/nfs/dbraw/zinc/01/21/37/135012137.db2.gz	OZJABWVCTPVRJK-RYUDHWBXSA-N	0	1	223.320	0.553	20	30		BCEDMN
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C=CCOCCCN1C[C@@H]2COC[C@H](C1)O2	ZINC000338370550	135035380	/nfs/dbraw/zinc/03/53/80/135035380.db2.gz	WEWUKBVQTYIERG-TXEJJXNPSA-N	0	1	227.304	0.679	20	30		BCEDMN
CSc1nc(=O)n(CCOCCC#N)[nH]1	ZINC000338565996	135040961	/nfs/dbraw/zinc/04/09/61/135040961.db2.gz	HCGCCRPFPMQCSD-UHFFFAOYSA-N	0	1	228.277	0.224	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@@](F)(CO)C1	ZINC000338586970	135042112	/nfs/dbraw/zinc/04/21/12/135042112.db2.gz	KSQWGVJNFNMBAP-QWRGUYRKSA-N	0	1	217.284	0.720	20	30		BCEDMN
CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCN(C)C1=O	ZINC000339002135	135051910	/nfs/dbraw/zinc/05/19/10/135051910.db2.gz	XHBKEPYPDXYUQC-AXFHLTTASA-N	0	1	221.304	0.841	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1	ZINC000339059491	135055584	/nfs/dbraw/zinc/05/55/84/135055584.db2.gz	DYPZBBLGKMVGDI-GRYCIOLGSA-N	0	1	233.315	0.985	20	30		BCEDMN
C=CCOCCN1CCN2C(=O)CC[C@H]2C1	ZINC000339059516	135056122	/nfs/dbraw/zinc/05/61/22/135056122.db2.gz	FNDWUABMYNRLLP-NSHDSACASA-N	0	1	224.304	0.496	20	30		BCEDMN
C=CCOCC[N@@H+]1CCN(C[C@@H](C)O)C[C@H]1C	ZINC000339090063	135057846	/nfs/dbraw/zinc/05/78/46/135057846.db2.gz	BAJFAKAWVHFAHQ-CHWSQXEVSA-N	0	1	242.363	0.576	20	30		BCEDMN
N#C[C@@H]1CC[C@@H](N2CCc3n[nH]nc3C2)C1	ZINC000339120001	135060099	/nfs/dbraw/zinc/06/00/99/135060099.db2.gz	VXBWTIDQZMVUDW-RKDXNWHRSA-N	0	1	217.276	0.855	20	30		BCEDMN
CCN(CCOCCC#N)[C@@H]1CCNC1=O	ZINC000339154685	135062881	/nfs/dbraw/zinc/06/28/81/135062881.db2.gz	BLDLDGGYCJKCTN-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
C[C@H]1CN2CCCC[C@H]2CN1C(=O)CC#N	ZINC000251679920	135073542	/nfs/dbraw/zinc/07/35/42/135073542.db2.gz	HTOZGFXAKSYGCG-QWRGUYRKSA-N	0	1	221.304	0.985	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)N(C)[C@H](C)C1	ZINC000339623185	135076529	/nfs/dbraw/zinc/07/65/29/135076529.db2.gz	SAADAYNICWRUMK-GHMZBOCLSA-N	0	1	225.336	0.313	20	30		BCEDMN
Cc1cc(CC(=O)N[C@@H](C#N)C(C)C)[nH]n1	ZINC000260134591	135106610	/nfs/dbraw/zinc/10/66/10/135106610.db2.gz	RWBBTRRQTYDKHC-JTQLQIEISA-N	0	1	220.276	0.925	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C	ZINC000259960101	135146012	/nfs/dbraw/zinc/14/60/12/135146012.db2.gz	LOVOGKXARIDROI-ZJUUUORDSA-N	0	1	209.293	0.699	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000269510632	135165406	/nfs/dbraw/zinc/16/54/06/135165406.db2.gz	CMYZLCRCZQGLOR-GFCCVEGCSA-N	0	1	248.286	0.557	20	30		BCEDMN
CC#CCNC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000121591208	135224411	/nfs/dbraw/zinc/22/44/11/135224411.db2.gz	MVDNSXSJPCJJJN-VIFPVBQESA-N	0	1	217.272	0.969	20	30		BCEDMN
C=CCC[C@@H](O)CN(CC)CC(=O)NCC	ZINC000122112428	135226044	/nfs/dbraw/zinc/22/60/44/135226044.db2.gz	OEKQAARTZQXHAH-LLVKDONJSA-N	0	1	228.336	0.772	20	30		BCEDMN
C=CCC[C@H](O)CN(CC)CC(=O)NCC	ZINC000122112642	135226342	/nfs/dbraw/zinc/22/63/42/135226342.db2.gz	OEKQAARTZQXHAH-NSHDSACASA-N	0	1	228.336	0.772	20	30		BCEDMN
CN(CC#N)C(=O)c1cnc(C2CC2)[nH]1	ZINC000341392712	135237822	/nfs/dbraw/zinc/23/78/22/135237822.db2.gz	DXQQOZKRXDHQOX-UHFFFAOYSA-N	0	1	204.233	0.883	20	30		BCEDMN
CC#CCCCC(=O)NCc1nnc[nH]1	ZINC000342017603	135246339	/nfs/dbraw/zinc/24/63/39/135246339.db2.gz	KWXCROQUFBCGFU-UHFFFAOYSA-N	0	1	206.249	0.615	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CN(CC)C1CC1	ZINC000342170676	135252391	/nfs/dbraw/zinc/25/23/91/135252391.db2.gz	YPRUNEPBBVFBFF-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
CN(CC[C@@H]1CCCO1)CC(=O)NCC#N	ZINC000342612720	135303987	/nfs/dbraw/zinc/30/39/87/135303987.db2.gz	YWPRZRXRJXRIKC-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CC1CCN(C(=O)C[C@H]2COCCN2)CC1	ZINC000262592537	135306998	/nfs/dbraw/zinc/30/69/98/135306998.db2.gz	WLDACJMLETXUDK-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1CCN(C)CC[C@H]1C	ZINC000334166548	135323507	/nfs/dbraw/zinc/32/35/07/135323507.db2.gz	AQJIULIILQCLQG-VHSXEESVSA-N	0	1	209.293	0.699	20	30		BCEDMN
[NH2+]=C(NCc1ncccc1[O-])N1CCC1	ZINC000263205512	135339666	/nfs/dbraw/zinc/33/96/66/135339666.db2.gz	YDJMZBSEZBMSHR-UHFFFAOYSA-N	0	1	206.249	0.308	20	30		BCEDMN
CCc1nc([C@H](C)NC(=O)[C@@H](C)C#N)n[nH]1	ZINC000343006215	135344762	/nfs/dbraw/zinc/34/47/62/135344762.db2.gz	YUSDDXSWYRQENI-BQBZGAKWSA-N	0	1	221.264	0.704	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN(C(C)=O)CC1	ZINC000268653749	135364403	/nfs/dbraw/zinc/36/44/03/135364403.db2.gz	PIICQMGWSYYVGV-GFCCVEGCSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCNC(=O)CNCc1c(C)cnn1C	ZINC000286116982	135372680	/nfs/dbraw/zinc/37/26/80/135372680.db2.gz	UPGBHJHDQIPNNG-UHFFFAOYSA-N	0	1	222.292	0.120	20	30		BCEDMN
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CCSCCN1CCN(CC#N)CC1	ZINC000072516219	135389162	/nfs/dbraw/zinc/38/91/62/135389162.db2.gz	QCILNJGHTSOPHH-UHFFFAOYSA-N	0	1	213.350	0.881	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnc[nH]2)C1=O	ZINC000281764013	135511740	/nfs/dbraw/zinc/51/17/40/135511740.db2.gz	QLAOQSBJKZUUSO-JTQLQIEISA-N	0	1	248.286	0.269	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCCO	ZINC000282008162	135514753	/nfs/dbraw/zinc/51/47/53/135514753.db2.gz	XWOZQXWWAHXZMY-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCOCCC[N@@H+]1CC[C@@H](NC(N)=O)C1	ZINC000348061619	136024699	/nfs/dbraw/zinc/02/46/99/136024699.db2.gz	UESIKBJONIUSMK-SNVBAGLBSA-N	0	1	227.308	0.322	20	30		BCEDMN
C=CCOCCCN1C[C@H](C(N)=O)O[C@@H](C)C1	ZINC000348027843	136026988	/nfs/dbraw/zinc/02/69/88/136026988.db2.gz	FWUGQOJLZVYLGV-WDEREUQCSA-N	0	1	242.319	0.154	20	30		BCEDMN
C=CCOCCCN1CCN2C(=O)NC[C@@H]2C1	ZINC000348034793	136028246	/nfs/dbraw/zinc/02/82/46/136028246.db2.gz	ODSNTQIOVKJGOA-LLVKDONJSA-N	0	1	239.319	0.289	20	30		BCEDMN
C=CCOCCCN1CCN2C(=O)NC[C@H]2C1	ZINC000348034795	136028421	/nfs/dbraw/zinc/02/84/21/136028421.db2.gz	ODSNTQIOVKJGOA-NSHDSACASA-N	0	1	239.319	0.289	20	30		BCEDMN
N#CCNC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21	ZINC000335399628	136093899	/nfs/dbraw/zinc/09/38/99/136093899.db2.gz	LFOMYPGLHAASKK-VHSXEESVSA-N	0	1	207.277	0.501	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000601432770	397890077	/nfs/dbraw/zinc/89/00/77/397890077.db2.gz	YPBCVDSIZPLCTM-NSHDSACASA-N	0	1	248.290	0.285	20	30		BCEDMN
C#CCN(CCN1CCO[C@@H](C)C1)C1CC1	ZINC000491146658	398032579	/nfs/dbraw/zinc/03/25/79/398032579.db2.gz	OUBNBLJCESZBRR-LBPRGKRZSA-N	0	1	222.332	0.805	20	30		BCEDMN
C#CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000491230136	398034565	/nfs/dbraw/zinc/03/45/65/398034565.db2.gz	LAXCCWAYGJMSGA-VIFPVBQESA-N	0	1	244.210	0.346	20	30		BCEDMN
Cn1cncc1CNCc1cc(C#N)n(C)c1	ZINC000352453027	398086521	/nfs/dbraw/zinc/08/65/21/398086521.db2.gz	JUEGICQRALKNPJ-UHFFFAOYSA-N	0	1	229.287	0.920	20	30		BCEDMN
COCC#CCN(C)[C@H]1CCN2CCO[C@H]1C2	ZINC000649707690	398054676	/nfs/dbraw/zinc/05/46/76/398054676.db2.gz	CCRWSJAMWFPTPN-STQMWFEESA-N	0	1	238.331	0.041	20	30		BCEDMN
C#CCN(C)C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000491671277	398058633	/nfs/dbraw/zinc/05/86/33/398058633.db2.gz	FOXIPIYKOSTUBW-VIFPVBQESA-N	0	1	232.287	0.542	20	30		BCEDMN
C#CC[N@H+](C)CCC[N-]C(=O)C(F)(F)F	ZINC000192239540	398107157	/nfs/dbraw/zinc/10/71/57/398107157.db2.gz	IAOFEBJAZMMRBL-UHFFFAOYSA-N	0	1	222.210	0.620	20	30		BCEDMN
C#CC[N@@H+](C)CCC[N-]C(=O)C(F)(F)F	ZINC000192239540	398107160	/nfs/dbraw/zinc/10/71/60/398107160.db2.gz	IAOFEBJAZMMRBL-UHFFFAOYSA-N	0	1	222.210	0.620	20	30		BCEDMN
C#CC[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000192239427	398107367	/nfs/dbraw/zinc/10/73/67/398107367.db2.gz	ICNDLYONODYBGW-UHFFFAOYSA-N	0	1	216.244	0.088	20	30		BCEDMN
C#CC[N@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000192239427	398107368	/nfs/dbraw/zinc/10/73/68/398107368.db2.gz	ICNDLYONODYBGW-UHFFFAOYSA-N	0	1	216.244	0.088	20	30		BCEDMN
Cc1nc(CN2CCN(CCCC#N)CC2)n[nH]1	ZINC000611072203	398097894	/nfs/dbraw/zinc/09/78/94/398097894.db2.gz	LBNRIOOJSWVBSE-UHFFFAOYSA-N	0	1	248.334	0.535	20	30		BCEDMN
C[C@H]1CN(c2ccc(C#N)nn2)[C@@H](C)CN1C	ZINC000611256823	398125831	/nfs/dbraw/zinc/12/58/31/398125831.db2.gz	AONOIJOQLFEHBX-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
CNC(=O)[C@H]1CCCCN1CCCC#N	ZINC000042422115	173306120	/nfs/dbraw/zinc/30/61/20/173306120.db2.gz	RWYMIZMQQGVJCG-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C#CCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000269031485	166144174	/nfs/dbraw/zinc/14/41/74/166144174.db2.gz	SMWKODJTKGCMTO-VIFPVBQESA-N	0	1	234.303	0.972	20	30		BCEDMN
C#CCCCN1CCN(C(=O)COC)CC1	ZINC000271035874	166130161	/nfs/dbraw/zinc/13/01/61/166130161.db2.gz	LRYPQUQLMGTWJM-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
C#CCCN1CCN(Cc2ccn(C)n2)CC1	ZINC000271991794	166137773	/nfs/dbraw/zinc/13/77/73/166137773.db2.gz	FDMHAFHHKOSVRM-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000660843810	409838077	/nfs/dbraw/zinc/83/80/77/409838077.db2.gz	AZONMQQIRLWTQE-SSDOTTSWSA-N	0	1	213.237	0.144	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000660843810	409838085	/nfs/dbraw/zinc/83/80/85/409838085.db2.gz	AZONMQQIRLWTQE-SSDOTTSWSA-N	0	1	213.237	0.144	20	30		BCEDMN
N#CCC[N@H+](C[C@@H](O)Cn1cccn1)CC1CC1	ZINC000081514669	410075854	/nfs/dbraw/zinc/07/58/54/410075854.db2.gz	ILXITSPXWKULLW-CYBMUJFWSA-N	0	1	248.330	0.870	20	30		BCEDMN
N#CCCN(C[C@@H](O)Cn1cccn1)CC1CC1	ZINC000081514669	410075861	/nfs/dbraw/zinc/07/58/61/410075861.db2.gz	ILXITSPXWKULLW-CYBMUJFWSA-N	0	1	248.330	0.870	20	30		BCEDMN
C#CCN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000264241746	166165877	/nfs/dbraw/zinc/16/58/77/166165877.db2.gz	LPMYVLZMOZBHHJ-UHFFFAOYSA-N	0	1	236.231	0.722	20	30		BCEDMN
C#CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000272274703	166177483	/nfs/dbraw/zinc/17/74/83/166177483.db2.gz	YZTNRUSIMKHBBW-GHMZBOCLSA-N	0	1	221.304	0.355	20	30		BCEDMN
C#CCNCC(=O)N(C)Cc1cccs1	ZINC000087555771	166187134	/nfs/dbraw/zinc/18/71/34/166187134.db2.gz	SPQFTYUUMMOOCD-UHFFFAOYSA-N	0	1	222.313	0.929	20	30		BCEDMN
C#CCOc1ccccc1CNC(CO)CO	ZINC000087751990	166199678	/nfs/dbraw/zinc/19/96/78/166199678.db2.gz	QRJXHMBXBVKBDQ-UHFFFAOYSA-N	0	1	235.283	0.141	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000275511904	166216537	/nfs/dbraw/zinc/21/65/37/166216537.db2.gz	OWBHDNKZUMQKOY-QMMMGPOBSA-N	0	1	243.270	0.562	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@H]1CNCCO1	ZINC000158405777	166232646	/nfs/dbraw/zinc/23/26/46/166232646.db2.gz	NSJWPASCFCCBPJ-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCCCN1CCC[C@@H](O)[C@H]1C(=O)OC	ZINC000189595033	166234451	/nfs/dbraw/zinc/23/44/51/166234451.db2.gz	LZZPTKCEBHNAPR-MNOVXSKESA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CCCCN1CCSC[C@@H]1C(N)=O	ZINC000271503639	166235521	/nfs/dbraw/zinc/23/55/21/166235521.db2.gz	DKWYSVMWZRAWBH-SECBINFHSA-N	0	1	214.334	0.855	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CCN[C@@H](C)C1	ZINC000237621089	166272052	/nfs/dbraw/zinc/27/20/52/166272052.db2.gz	XJCODZBMWZPKNT-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N1CCNCC1	ZINC000159449407	166275118	/nfs/dbraw/zinc/27/51/18/166275118.db2.gz	DMPWTMJSYXLNAO-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCC[C@@H](O)CN1CC[C@@](F)(C(=O)OC)C1	ZINC000268435656	166297788	/nfs/dbraw/zinc/29/77/88/166297788.db2.gz	DZUOGWWHJRANAQ-PWSUYJOCSA-N	0	1	245.294	0.901	20	30		BCEDMN
C=CCN(C)C(=O)N[C@@H]1CCN(CCOC)C1	ZINC000274983564	166317476	/nfs/dbraw/zinc/31/74/76/166317476.db2.gz	FTRZLAYHMRWAMG-LLVKDONJSA-N	0	1	241.335	0.535	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](NC)c1cnn(C)c1	ZINC000262292695	166329989	/nfs/dbraw/zinc/32/99/89/166329989.db2.gz	YRRXMEBIIANCOI-LBPRGKRZSA-N	0	1	248.330	0.881	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1O	ZINC000352659911	166366861	/nfs/dbraw/zinc/36/68/61/166366861.db2.gz	LOHGRQISMHDMRO-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](SC)C1	ZINC000296075966	166367565	/nfs/dbraw/zinc/36/75/65/166367565.db2.gz	CEDRDGORRCPADZ-SECBINFHSA-N	0	1	214.334	0.726	20	30		BCEDMN
C=CCNC(=O)CN[C@H](C)c1cn[nH]c1	ZINC000274142071	166369906	/nfs/dbraw/zinc/36/99/06/166369906.db2.gz	XHVLCVYLDIDMQY-MRVPVSSYSA-N	0	1	208.265	0.363	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1	ZINC000365105909	166382968	/nfs/dbraw/zinc/38/29/68/166382968.db2.gz	BQTBZHXFOGLVAG-MFKMUULPSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCCO	ZINC000276449630	166383168	/nfs/dbraw/zinc/38/31/68/166383168.db2.gz	VUARVVIOWKPUDM-SNVBAGLBSA-N	0	1	214.309	0.381	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)Sc1c[nH]nn1	ZINC000177373433	166384130	/nfs/dbraw/zinc/38/41/30/166384130.db2.gz	BWSGSHAQKCFBHB-ZCFIWIBFSA-N	0	1	212.278	0.588	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1c[nH]nc1C	ZINC000272788443	166424936	/nfs/dbraw/zinc/42/49/36/166424936.db2.gz	BTODCHYWMZSXBU-UHFFFAOYSA-N	0	1	243.332	0.409	20	30		BCEDMN
N#Cc1cc([N+](=O)[O-])ccc1NCc1nn[nH]n1	ZINC000044931660	411142476	/nfs/dbraw/zinc/14/24/76/411142476.db2.gz	JUWQXSRQFISBIY-UHFFFAOYSA-N	0	1	245.202	0.592	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC(=O)[O-])C1CCC1	ZINC000655935769	411159500	/nfs/dbraw/zinc/15/95/00/411159500.db2.gz	PSLHELQHRIFSLV-UHFFFAOYSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CC(=O)[O-])C1CCC1	ZINC000655935769	411159503	/nfs/dbraw/zinc/15/95/03/411159503.db2.gz	PSLHELQHRIFSLV-UHFFFAOYSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCN1CC[C@@H](N(C[C@H](C)O)C2CC2)C1=O	ZINC000653902528	411218003	/nfs/dbraw/zinc/21/80/03/411218003.db2.gz	VQLGKBVMJHZHMP-CMPLNLGQSA-N	0	1	238.331	0.619	20	30		BCEDMN
C=CCCC(=O)NC[C@H]1CN(C)CCN1C	ZINC000264701058	411229997	/nfs/dbraw/zinc/22/99/97/411229997.db2.gz	DEVOSTBHYREFTQ-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
CCNC(=O)C(C)(C)NCC#CCOC	ZINC000656640983	411314699	/nfs/dbraw/zinc/31/46/99/411314699.db2.gz	SNRMIKHQRRMMSE-UHFFFAOYSA-N	0	1	212.293	0.141	20	30		BCEDMN
C=CCn1cc([C@@H](N)[C@H]2CCCO2)nn1	ZINC000656445844	411255484	/nfs/dbraw/zinc/25/54/84/411255484.db2.gz	WZSQRBPAKPQRDO-NXEZZACHSA-N	0	1	208.265	0.643	20	30		BCEDMN
C=C[C@H](CO)NC[C@](C)(O)C(F)(F)F	ZINC000662168469	411371716	/nfs/dbraw/zinc/37/17/16/411371716.db2.gz	HMSWDYXNZZPNCQ-RQJHMYQMSA-N	0	1	213.199	0.436	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)c1n[nH]c(CC)n1	ZINC000662168686	411371866	/nfs/dbraw/zinc/37/18/66/411371866.db2.gz	QPLOEHHDSWHJSF-HTQZYQBOSA-N	0	1	210.281	0.565	20	30		BCEDMN
C=CC[N@@H+](C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000662211499	411378126	/nfs/dbraw/zinc/37/81/26/411378126.db2.gz	PPHXHOFBERELNJ-SNVBAGLBSA-N	0	1	238.287	0.322	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@@H](N)COC(C)C	ZINC000659261188	411382290	/nfs/dbraw/zinc/38/22/90/411382290.db2.gz	XYSVFXSCKCNCOC-IUCAKERBSA-N	0	1	200.282	0.429	20	30		BCEDMN
C=CCN(C)C(=O)[C@@H](N)COC(C)C	ZINC000659310306	411391809	/nfs/dbraw/zinc/39/18/09/411391809.db2.gz	YSQLJUSKMLYMHK-VIFPVBQESA-N	0	1	200.282	0.383	20	30		BCEDMN
C=CCCn1cc(CNCCCOC)nn1	ZINC000657286676	411445493	/nfs/dbraw/zinc/44/54/93/411445493.db2.gz	RPQFXHVCKXEQGG-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
C=CCCn1cc(CNCC2(C)COC2)nn1	ZINC000657359366	411477316	/nfs/dbraw/zinc/47/73/16/411477316.db2.gz	VGJQEWIEKKVLFH-UHFFFAOYSA-N	0	1	236.319	0.980	20	30		BCEDMN
C=CCCn1cc(CNC(C)(C)CO)nn1	ZINC000657356049	411478325	/nfs/dbraw/zinc/47/83/25/411478325.db2.gz	GGAAEBCZSVKCRE-UHFFFAOYSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCNC(=O)CNCc1cnc2n1CCC2	ZINC000657427684	411503953	/nfs/dbraw/zinc/50/39/53/411503953.db2.gz	DKYAACJALILIJK-UHFFFAOYSA-N	0	1	234.303	0.221	20	30		BCEDMN
CC#CCNC(=O)N(C)Cc1cnc[nH]1	ZINC000660964539	411688865	/nfs/dbraw/zinc/68/88/65/411688865.db2.gz	PIVXWICDUWAOOS-UHFFFAOYSA-N	0	1	206.249	0.574	20	30		BCEDMN
Cc1ccc(NC[C@@H]2COCCN2)nc1C#N	ZINC000600954306	411691605	/nfs/dbraw/zinc/69/16/05/411691605.db2.gz	XBTXUYARJABKBE-SNVBAGLBSA-N	0	1	232.287	0.662	20	30		BCEDMN
Cc1nc(NCCN2CCC2)ccc1C#N	ZINC000336675423	411748296	/nfs/dbraw/zinc/74/82/96/411748296.db2.gz	BJXMVRIMTFLQEQ-UHFFFAOYSA-N	0	1	216.288	1.379	20	30		BCEDMN
COCC#CCN1CCc2cc[nH]c(=O)c2C1	ZINC000683144753	487620583	/nfs/dbraw/zinc/62/05/83/487620583.db2.gz	ABMJKWNLCQLDHO-UHFFFAOYSA-N	0	1	232.283	0.795	20	30		BCEDMN
CCc1nc(CNc2nc(C)cc(C#N)n2)n[nH]1	ZINC000392497416	411785768	/nfs/dbraw/zinc/78/57/68/411785768.db2.gz	DMMFBSIGKRQGJR-UHFFFAOYSA-N	0	1	243.274	0.949	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)C(O)[C@H](C)C1	ZINC000661620918	411820884	/nfs/dbraw/zinc/82/08/84/411820884.db2.gz	BGMBYKDMJMZQLY-NXEZZACHSA-N	0	1	226.320	0.237	20	30		BCEDMN
C=CCCN1CCc2cnc(N)nc2C1	ZINC000623292277	411840362	/nfs/dbraw/zinc/84/03/62/411840362.db2.gz	IKNUDDGNPQICRO-UHFFFAOYSA-N	0	1	204.277	0.993	20	30		BCEDMN
C=C(C)CN1CCc2nnc(N)cc2C1	ZINC000361946474	411849520	/nfs/dbraw/zinc/84/95/20/411849520.db2.gz	XNYRHHIISSLKOB-UHFFFAOYSA-N	0	1	204.277	0.993	20	30		BCEDMN
C=C[C@@H](CO)Nc1cc(-n2cccn2)nc(N)n1	ZINC000357608303	411850985	/nfs/dbraw/zinc/85/09/85/411850985.db2.gz	QXXJIBDLHYNTPP-QMMMGPOBSA-N	0	1	246.274	0.203	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCCCCC	ZINC000662167889	411988935	/nfs/dbraw/zinc/98/89/35/411988935.db2.gz	QKELWQZSIDCNHV-SNVBAGLBSA-N	0	1	214.309	0.429	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCCCC1	ZINC000662163977	412014438	/nfs/dbraw/zinc/01/44/38/412014438.db2.gz	QXDNKVLXYFNPMC-LLVKDONJSA-N	0	1	226.320	0.526	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@H](C)CC	ZINC000662168135	412015591	/nfs/dbraw/zinc/01/55/91/412015591.db2.gz	ZCFYPRWQJONTGO-RKDXNWHRSA-N	0	1	200.282	0.038	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000662167402	412015672	/nfs/dbraw/zinc/01/56/72/412015672.db2.gz	CKKLCLSZFIPSCR-IJLUTSLNSA-N	0	1	240.347	0.818	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N(C)C(C)C	ZINC000662167066	412015943	/nfs/dbraw/zinc/01/59/43/412015943.db2.gz	QRHNHJHNRSRMFJ-VHSXEESVSA-N	0	1	214.309	0.378	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000662167355	412016803	/nfs/dbraw/zinc/01/68/03/412016803.db2.gz	AXNNZJLUBCHBPT-GRYCIOLGSA-N	0	1	240.347	0.912	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCc1ccco1	ZINC000662167503	412016854	/nfs/dbraw/zinc/01/68/54/412016854.db2.gz	GVGNBLTYXFXYCR-SECBINFHSA-N	0	1	224.260	0.032	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C	ZINC000662229544	412031787	/nfs/dbraw/zinc/03/17/87/412031787.db2.gz	VDBXPOMCXNLOHX-UHFFFAOYSA-N	0	1	242.319	0.721	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C	ZINC000662229544	412031788	/nfs/dbraw/zinc/03/17/88/412031788.db2.gz	VDBXPOMCXNLOHX-UHFFFAOYSA-N	0	1	242.319	0.721	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@@H](N)COC(C)C	ZINC000662465839	412184449	/nfs/dbraw/zinc/18/44/49/412184449.db2.gz	SNSJARWPPLFZMS-ZJUUUORDSA-N	0	1	214.309	0.820	20	30		BCEDMN
N#Cc1ccc(N[C@@H]2CCc3[nH]cnc3C2)nn1	ZINC000589606186	412273814	/nfs/dbraw/zinc/27/38/14/412273814.db2.gz	KNPXDURKMWPIJE-MRVPVSSYSA-N	0	1	240.270	1.041	20	30		BCEDMN
N#Cc1cnnc(NCc2n[nH]c(C3CC3)n2)c1	ZINC000596250744	412279552	/nfs/dbraw/zinc/27/95/52/412279552.db2.gz	UBZWZODQKJJGHH-UHFFFAOYSA-N	0	1	241.258	0.956	20	30		BCEDMN
N#Cc1cnnc(N[C@@H]2CCCc3cn[nH]c32)c1	ZINC000596168174	412279720	/nfs/dbraw/zinc/27/97/20/412279720.db2.gz	LYZLLFFOGGZQJR-SNVBAGLBSA-N	0	1	240.270	1.561	20	30		BCEDMN
CC1=CCN(CCNc2cc(C#N)ncn2)CC1	ZINC000555804976	412334297	/nfs/dbraw/zinc/33/42/97/412334297.db2.gz	DLNSXRZQPVKDBT-UHFFFAOYSA-N	0	1	243.314	1.412	20	30		BCEDMN
C=CCCC(C)(C)NC(=O)[C@@H]1CNCCO1	ZINC000662953207	412353508	/nfs/dbraw/zinc/35/35/08/412353508.db2.gz	LWCQYPXHGJYPQQ-JTQLQIEISA-N	0	1	226.320	0.836	20	30		BCEDMN
CN(C)CCN(C)S(=O)(=O)CC1(C#N)CC1	ZINC000361558794	172451844	/nfs/dbraw/zinc/45/18/44/172451844.db2.gz	KHNOOWNXFCGOBE-UHFFFAOYSA-N	0	1	245.348	0.113	20	30		BCEDMN
CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181145933	173013472	/nfs/dbraw/zinc/01/34/72/173013472.db2.gz	NDUOREOXPCQMAX-UHFFFAOYSA-N	0	1	232.287	0.664	20	30		BCEDMN
CN1CCC[C@H]1CNC(=O)c1ccc(C#N)o1	ZINC000335072358	173056485	/nfs/dbraw/zinc/05/64/85/173056485.db2.gz	YCOCCLIERORPJV-VIFPVBQESA-N	0	1	233.271	0.975	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ccnc(C#N)c2)C1	ZINC000225345294	173077227	/nfs/dbraw/zinc/07/72/27/173077227.db2.gz	RUNFVOYPTIBCOC-ZDUSSCGKSA-N	0	1	245.330	0.611	20	30		BCEDMN
Cn1cc(CN2CCN(C)CC2)cc1C#N	ZINC000261098648	173087618	/nfs/dbraw/zinc/08/76/18/173087618.db2.gz	XRTMBGKLOQHURP-UHFFFAOYSA-N	0	1	218.304	0.644	20	30		BCEDMN
CN1CC[C@H](Nc2nccnc2C#N)C1	ZINC000054377857	173155822	/nfs/dbraw/zinc/15/58/22/173155822.db2.gz	QYVURMAULFIDGU-QMMMGPOBSA-N	0	1	203.249	0.464	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1ccc(OC)c(C#N)c1	ZINC000087823938	173302882	/nfs/dbraw/zinc/30/28/82/173302882.db2.gz	QRHPLYVLSGKDHC-VIFPVBQESA-N	0	1	247.298	0.791	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1ccc(C#N)cc1	ZINC000037749161	173302960	/nfs/dbraw/zinc/30/29/60/173302960.db2.gz	VSXRCDGLOBFWSS-VIFPVBQESA-N	0	1	217.272	0.782	20	30		BCEDMN
COCCNC(=O)C(C#N)c1nc(C)cs1	ZINC000122050612	174326351	/nfs/dbraw/zinc/32/63/51/174326351.db2.gz	KMYKKKGPVANVQN-QMMMGPOBSA-N	0	1	239.300	0.821	20	30		BCEDMN
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C#C[C@@H](CO)NC(=O)c1c(C)n[nH]c1C(C)C	ZINC000854771716	588806954	/nfs/dbraw/zinc/80/69/54/588806954.db2.gz	HQKPXKLEERVQKO-VIFPVBQESA-N	0	1	235.287	0.565	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCC23COC3)CC1	ZINC000854837546	588812841	/nfs/dbraw/zinc/81/28/41/588812841.db2.gz	KRIWVYRWZAZEBD-UHFFFAOYSA-N	0	1	248.326	0.333	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000854987128	588819864	/nfs/dbraw/zinc/81/98/64/588819864.db2.gz	LCDPOROGQYHYJS-JTQLQIEISA-N	0	1	232.287	0.780	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@@H]2CCN2C2CCCC2)C1	ZINC000890527453	582467380	/nfs/dbraw/zinc/46/73/80/582467380.db2.gz	SKLHZSPYRCXLQO-LBPRGKRZSA-N	0	1	248.326	0.210	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)C1=NC(=O)N(C)C1	ZINC000890553767	582473625	/nfs/dbraw/zinc/47/36/25/582473625.db2.gz	AOYYEMJGQICABG-MRVPVSSYSA-N	0	1	221.260	0.916	20	30		BCEDMN
C#CCONC(=O)C1CN(CC(F)(F)F)C1	ZINC000812784190	582565103	/nfs/dbraw/zinc/56/51/03/582565103.db2.gz	ABIUQPBKRTVWKN-UHFFFAOYSA-N	0	1	236.193	0.162	20	30		BCEDMN
C#CCONC(=O)CCSc1nnc(C)[nH]1	ZINC000855606170	588841241	/nfs/dbraw/zinc/84/12/41/588841241.db2.gz	AUSLFJGKOFZOMX-UHFFFAOYSA-N	0	1	240.288	0.276	20	30		BCEDMN
C=CCCONC(=O)Cc1ccn(C)n1	ZINC000856027160	588855361	/nfs/dbraw/zinc/85/53/61/588855361.db2.gz	BNZHXWYYPJDQGX-UHFFFAOYSA-N	0	1	209.249	0.587	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H](C)N(C)C)C1CCOCC1	ZINC000856109267	588860654	/nfs/dbraw/zinc/86/06/54/588860654.db2.gz	KVJZARCXFKCLHJ-JQWIXIFHSA-N	0	1	238.331	0.481	20	30		BCEDMN
C#CCOCCN1CCCC[C@@H]1C(=O)NC	ZINC000851744676	582966084	/nfs/dbraw/zinc/96/60/84/582966084.db2.gz	LNYQVWOOSFGLAB-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CC2(CC2)C1	ZINC000852827346	583018276	/nfs/dbraw/zinc/01/82/76/583018276.db2.gz	GZLATTKJEJRBRK-ZJUUUORDSA-N	0	1	219.288	0.404	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCC1CCC1	ZINC000856347400	588869063	/nfs/dbraw/zinc/86/90/63/588869063.db2.gz	QAJQYOCVJDZKJR-LBPRGKRZSA-N	0	1	236.315	0.932	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000855606920	583108292	/nfs/dbraw/zinc/10/82/92/583108292.db2.gz	RPJOMLXGCJTHPI-QMMMGPOBSA-N	0	1	219.244	0.196	20	30		BCEDMN
CC[N@H+]1CC[C@H]1CNC(=O)c1cnccc1C#N	ZINC000893873624	583238331	/nfs/dbraw/zinc/23/83/31/583238331.db2.gz	RFCDVAKWKIVGPM-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1cnccc1C#N	ZINC000893873624	583238333	/nfs/dbraw/zinc/23/83/33/583238333.db2.gz	RFCDVAKWKIVGPM-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
C#CCN(CC)C[C@H]1[C@@H](C(=O)OC)C1(F)F	ZINC000893975832	583264933	/nfs/dbraw/zinc/26/49/33/583264933.db2.gz	HYKSYFYJQOBVTK-IUCAKERBSA-N	0	1	231.242	0.996	20	30		BCEDMN
C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)c1nnc[nH]1	ZINC000332876892	583303467	/nfs/dbraw/zinc/30/34/67/583303467.db2.gz	AUVJYVRBRHBACG-YIZRAAEISA-N	0	1	248.290	0.857	20	30		BCEDMN
CCOc1cncc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000857211366	588893738	/nfs/dbraw/zinc/89/37/38/588893738.db2.gz	HJCMJUHLEJYYFH-SECBINFHSA-N	0	1	247.302	0.752	20	30		BCEDMN
Cc1nc[nH]c1C=NN1C(=O)[C@H](C)N(C)C1=O	ZINC000857214967	588893929	/nfs/dbraw/zinc/89/39/29/588893929.db2.gz	KZTXHWSDRYNYCZ-ZETCQYMHSA-N	0	1	235.247	0.335	20	30		BCEDMN
COCCOC[C@@H](C)NCC1(C#N)CC1	ZINC000894205267	583341847	/nfs/dbraw/zinc/34/18/47/583341847.db2.gz	WVAVZOKHEHVVQN-SNVBAGLBSA-N	0	1	212.293	0.931	20	30		BCEDMN
COCCOC[C@H](C)NCC1(C#N)CC1	ZINC000894205266	583341970	/nfs/dbraw/zinc/34/19/70/583341970.db2.gz	WVAVZOKHEHVVQN-JTQLQIEISA-N	0	1	212.293	0.931	20	30		BCEDMN
C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)o3)[C@H]2C1	ZINC000814145971	583342531	/nfs/dbraw/zinc/34/25/31/583342531.db2.gz	PMUJWTJGGWAMCY-KOLCDFICSA-N	0	1	245.282	0.927	20	30		BCEDMN
C=C[C@@H](O)C(=O)OCc1nnc(C(C)(C)C)[nH]1	ZINC000814547603	583358075	/nfs/dbraw/zinc/35/80/75/583358075.db2.gz	CKMINHQGYRLYKA-SSDOTTSWSA-N	0	1	239.275	0.692	20	30		BCEDMN
C=C[C@@H](O)C(=O)OCc1n[nH]c(C(C)(C)C)n1	ZINC000814547603	583358077	/nfs/dbraw/zinc/35/80/77/583358077.db2.gz	CKMINHQGYRLYKA-SSDOTTSWSA-N	0	1	239.275	0.692	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)C(C)(C)c1cnc[nH]1	ZINC000857223500	588895664	/nfs/dbraw/zinc/89/56/64/588895664.db2.gz	SRKWIASZANOMMV-JTQLQIEISA-N	0	1	249.314	0.578	20	30		BCEDMN
C#CCC(C)(C)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000857294214	588904532	/nfs/dbraw/zinc/90/45/32/588904532.db2.gz	AHWSHWLABFYXFK-UHFFFAOYSA-N	0	1	237.259	0.783	20	30		BCEDMN
C[C@@H]1CC[N@@H+](CCNC(=O)NCCC#N)C1	ZINC000894486125	583471688	/nfs/dbraw/zinc/47/16/88/583471688.db2.gz	RZQMRIXWAGMOME-SNVBAGLBSA-N	0	1	224.308	0.541	20	30		BCEDMN
C[NH+](C)CC#CCNc1cc(Cl)[n-]c(=O)n1	ZINC000894877100	583541743	/nfs/dbraw/zinc/54/17/43/583541743.db2.gz	VLPGLRUYWUMLBM-UHFFFAOYSA-N	0	1	240.694	0.813	20	30		BCEDMN
C#C[C@H](NC(=O)NCc1n[nH]c(C)n1)C(C)C	ZINC000894931947	583556029	/nfs/dbraw/zinc/55/60/29/583556029.db2.gz	FRJPQOVTTMPFDF-VIFPVBQESA-N	0	1	235.291	0.570	20	30		BCEDMN
CC1(CN2CCN(C(=O)CC#N)CC2)CC1	ZINC000895065688	583577950	/nfs/dbraw/zinc/57/79/50/583577950.db2.gz	HGNUGMDBNJCTFJ-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
C[C@@H](C1CC1)N1CCN(C(=O)CC#N)CC1	ZINC000895065652	583578088	/nfs/dbraw/zinc/57/80/88/583578088.db2.gz	GCJDSGVKKKDFLY-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccc(Cl)nn1	ZINC000895097415	583588410	/nfs/dbraw/zinc/58/84/10/583588410.db2.gz	FNTIERKQRUUZIE-SNVBAGLBSA-N	0	1	239.706	0.994	20	30		BCEDMN
Cn1ccc(CN[C@@H]2CCCN(O)C2=O)c1	ZINC000895161356	583610325	/nfs/dbraw/zinc/61/03/25/583610325.db2.gz	FXCHGYVXUULQJT-SNVBAGLBSA-N	0	1	223.276	0.495	20	30		BCEDMN
C#CC1(O)CCN(Cc2cn(C)nc2C)CC1	ZINC000895382492	583662143	/nfs/dbraw/zinc/66/21/43/583662143.db2.gz	HFVVXQRWGCSBIW-UHFFFAOYSA-N	0	1	233.315	0.689	20	30		BCEDMN
C#CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2	ZINC000895482473	583680906	/nfs/dbraw/zinc/68/09/06/583680906.db2.gz	GNOCTEVPLKOIGQ-MRVPVSSYSA-N	0	1	217.272	0.898	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1cn(CC)nn1	ZINC000895668704	583705670	/nfs/dbraw/zinc/70/56/70/583705670.db2.gz	NIMBGRIKKXDXKH-LLVKDONJSA-N	0	1	236.319	0.816	20	30		BCEDMN
C[C@H]1[C@@H](Nc2c(C#N)cnn2C)CC[N@H+]1C	ZINC000895736510	583717709	/nfs/dbraw/zinc/71/77/09/583717709.db2.gz	JWKFQFNTCQTUAE-WPRPVWTQSA-N	0	1	219.292	0.796	20	30		BCEDMN
CN1CC[C@H]1CNc1c(C#N)cnn1C	ZINC000895768290	583723790	/nfs/dbraw/zinc/72/37/90/583723790.db2.gz	BJVVMZLZBFPEGI-VIFPVBQESA-N	0	1	205.265	0.408	20	30		BCEDMN
C#CCN1CCC(Nc2ncncc2C#N)CC1	ZINC000895808881	583729692	/nfs/dbraw/zinc/72/96/92/583729692.db2.gz	WBYVACKKKSULRL-UHFFFAOYSA-N	0	1	241.298	0.280	20	30		BCEDMN
CC(C)(CCC#N)CN1C[C@H](O)C[C@H]1C(N)=O	ZINC000895946760	583749634	/nfs/dbraw/zinc/74/96/34/583749634.db2.gz	VNCCRGZGRHUGBH-ZJUUUORDSA-N	0	1	239.319	0.237	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(OC)o1	ZINC000895965466	583754373	/nfs/dbraw/zinc/75/43/73/583754373.db2.gz	WSGAVZFRRCZOAV-SECBINFHSA-N	0	1	209.245	0.762	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(OC)o1	ZINC000895965467	583754721	/nfs/dbraw/zinc/75/47/21/583754721.db2.gz	WSGAVZFRRCZOAV-VIFPVBQESA-N	0	1	209.245	0.762	20	30		BCEDMN
C#CCSCC(=O)Nc1nc(SC)n[nH]1	ZINC000896001497	583760472	/nfs/dbraw/zinc/76/04/72/583760472.db2.gz	ZXXRTWWAQAVFLJ-UHFFFAOYSA-N	0	1	242.329	0.832	20	30		BCEDMN
C#CCSCC(=O)Nc1nnc(C)[nH]1	ZINC000896530524	583808571	/nfs/dbraw/zinc/80/85/71/583808571.db2.gz	TUSNOVTZIWDPOB-UHFFFAOYSA-N	0	1	210.262	0.418	20	30		BCEDMN
C#CCSCC(=O)Nc1nc(C)n[nH]1	ZINC000896530524	583808572	/nfs/dbraw/zinc/80/85/72/583808572.db2.gz	TUSNOVTZIWDPOB-UHFFFAOYSA-N	0	1	210.262	0.418	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000866947878	583965964	/nfs/dbraw/zinc/96/59/64/583965964.db2.gz	SIPDMZUFXUQKMU-LDYMZIIASA-N	0	1	248.286	0.594	20	30		BCEDMN
Cc1nnc(C=NNC2=NC[C@@H](C)N2)s1	ZINC000863105263	583976053	/nfs/dbraw/zinc/97/60/53/583976053.db2.gz	LDCPYDFBYWKZPT-RXMQYKEDSA-N	0	1	224.293	0.118	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1cnn(CC)n1	ZINC000858334042	588946533	/nfs/dbraw/zinc/94/65/33/588946533.db2.gz	GWQWIILSULNLPU-LLVKDONJSA-N	0	1	236.319	0.816	20	30		BCEDMN
C#CC[C@H](COC)NCc1c(C)nnn1CC	ZINC000858334148	588946640	/nfs/dbraw/zinc/94/66/40/588946640.db2.gz	HXPJZPJOOZPDDZ-LLVKDONJSA-N	0	1	236.319	0.734	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnc(C)nc1	ZINC000858335835	588947317	/nfs/dbraw/zinc/94/73/17/588947317.db2.gz	JOBUBMSHMXZVFD-LBPRGKRZSA-N	0	1	219.288	0.913	20	30		BCEDMN
C=CCCN(C)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897517570	583999888	/nfs/dbraw/zinc/99/98/88/583999888.db2.gz	VSDYXDJZTZUCBX-GFCCVEGCSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CCCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000865370651	584016977	/nfs/dbraw/zinc/01/69/77/584016977.db2.gz	UIRFRNIHRHTQFH-UHFFFAOYSA-N	0	1	231.255	0.602	20	30		BCEDMN
CC1(C#N)CN(C(=O)C2CN([C@H]3CCOC3)C2)C1	ZINC000897631383	584033211	/nfs/dbraw/zinc/03/32/11/584033211.db2.gz	WSWWBCIPTAXFPY-NSHDSACASA-N	0	1	249.314	0.079	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897648653	584034823	/nfs/dbraw/zinc/03/48/23/584034823.db2.gz	CZVXEDQCGJWOCZ-QWRGUYRKSA-N	0	1	240.347	0.912	20	30		BCEDMN
CO[C@@H]1CCOC[C@H]1NCc1cccc(C#N)n1	ZINC000897890316	584057644	/nfs/dbraw/zinc/05/76/44/584057644.db2.gz	MFTDIMSOZPMCEY-CHWSQXEVSA-N	0	1	247.298	0.847	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898145610	584087296	/nfs/dbraw/zinc/08/72/96/584087296.db2.gz	DWTGYYXAKZSNPW-MRVPVSSYSA-N	0	1	236.275	0.194	20	30		BCEDMN
C=C(C)CNC(=O)NCc1n[nH]c(C)n1	ZINC000898360662	584110797	/nfs/dbraw/zinc/11/07/97/584110797.db2.gz	GOPONQIKKFJYQY-UHFFFAOYSA-N	0	1	209.253	0.488	20	30		BCEDMN
C=CCN(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898360718	584111217	/nfs/dbraw/zinc/11/12/17/584111217.db2.gz	HYHSXFXFBXBBOP-UHFFFAOYSA-N	0	1	209.253	0.441	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)NCc1n[nH]c(C)n1	ZINC000898365305	584112110	/nfs/dbraw/zinc/11/21/10/584112110.db2.gz	ZBHZAMIMAKPEEP-SSDOTTSWSA-N	0	1	223.280	0.877	20	30		BCEDMN
Cc1nc(CNC(=O)N2CC[C@](C)(C#N)C2)n[nH]1	ZINC000898348863	584112389	/nfs/dbraw/zinc/11/23/89/584112389.db2.gz	UCBLDASLYMIFMB-LLVKDONJSA-N	0	1	248.290	0.558	20	30		BCEDMN
C=C(C)CN(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898348428	584112413	/nfs/dbraw/zinc/11/24/13/584112413.db2.gz	NNVNEWADTXRPJD-UHFFFAOYSA-N	0	1	223.280	0.831	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CC(N2CCCC2)C1	ZINC000898601682	584145783	/nfs/dbraw/zinc/14/57/83/584145783.db2.gz	RDLCYARZSPCXEH-LBPRGKRZSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=C1CN(C(=O)C2CN([C@H]3CCOC3)C2)C1	ZINC000898705736	584152778	/nfs/dbraw/zinc/15/27/78/584152778.db2.gz	MLLKWQGLDGRBNO-NSHDSACASA-N	0	1	222.288	0.106	20	30		BCEDMN
C=C1CN(C(=O)CSc2nnc(C)[nH]2)C1	ZINC000898698061	584154802	/nfs/dbraw/zinc/15/48/02/584154802.db2.gz	BIVKSUNWBCOLPT-UHFFFAOYSA-N	0	1	224.289	0.604	20	30		BCEDMN
C=C1CN(C(=O)CSc2nc(C)n[nH]2)C1	ZINC000898698061	584154803	/nfs/dbraw/zinc/15/48/03/584154803.db2.gz	BIVKSUNWBCOLPT-UHFFFAOYSA-N	0	1	224.289	0.604	20	30		BCEDMN
C#CC1(F)CN(C(=O)c2c[nH]cc3ncnc2-3)C1	ZINC000899214707	584181757	/nfs/dbraw/zinc/18/17/57/584181757.db2.gz	BDXHTUOFDGFQOZ-UHFFFAOYSA-N	0	1	244.229	0.755	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2cccnn2)C1=O	ZINC000899352073	584199714	/nfs/dbraw/zinc/19/97/14/584199714.db2.gz	ZECIEWHRLVXUHZ-VIFPVBQESA-N	0	1	214.228	0.839	20	30		BCEDMN
N#CC1(CCCCn2nnnc2CN)CCC1	ZINC000899633276	584221507	/nfs/dbraw/zinc/22/15/07/584221507.db2.gz	RTPJXZUAJKAUFM-UHFFFAOYSA-N	0	1	234.307	0.996	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C	ZINC000900325371	584294994	/nfs/dbraw/zinc/29/49/94/584294994.db2.gz	BYFPYYJXMIVXQE-ZYHUDNBSSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000900325371	584294995	/nfs/dbraw/zinc/29/49/95/584294995.db2.gz	BYFPYYJXMIVXQE-ZYHUDNBSSA-N	0	1	239.319	0.204	20	30		BCEDMN
C=CCSCCNC(=O)Cc1cnc[nH]1	ZINC000900414723	584305879	/nfs/dbraw/zinc/30/58/79/584305879.db2.gz	KDSIPSNRJTZMPC-UHFFFAOYSA-N	0	1	225.317	0.988	20	30		BCEDMN
C/C=C/[C@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000900607546	584330681	/nfs/dbraw/zinc/33/06/81/584330681.db2.gz	DPOYGQAOZROTPL-FSIBCCDJSA-N	0	1	237.303	0.028	20	30		BCEDMN
C=C1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C)CC1	ZINC000900585564	584331596	/nfs/dbraw/zinc/33/15/96/584331596.db2.gz	UIPGJJMHIRLZFA-WCQYABFASA-N	0	1	238.331	0.620	20	30		BCEDMN
N#C[C@H](NC(=O)c1cncc2nc[nH]c21)C1CC1	ZINC000900639522	584334512	/nfs/dbraw/zinc/33/45/12/584334512.db2.gz	YWQCKXKSNRIAJO-VIFPVBQESA-N	0	1	241.254	0.990	20	30		BCEDMN
CN(CC(=O)N[C@@H](C#N)C1CC1)C1CCC1	ZINC000900639171	584335024	/nfs/dbraw/zinc/33/50/24/584335024.db2.gz	VSLSJKHCAUKZGZ-NSHDSACASA-N	0	1	221.304	0.889	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CC1)C1CCC1	ZINC000900724041	584344823	/nfs/dbraw/zinc/34/48/23/584344823.db2.gz	WXBLOINZKGWARQ-UHFFFAOYSA-N	0	1	207.277	0.643	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@H](C)CC[S@@](C)=O	ZINC000900885132	584361261	/nfs/dbraw/zinc/36/12/61/584361261.db2.gz	VFKIBORKBWTVRW-QLJPJBMISA-N	0	1	246.376	0.378	20	30		BCEDMN
C#CCCCCNC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000901034325	584376196	/nfs/dbraw/zinc/37/61/96/584376196.db2.gz	JNGHGBIWRITOPX-AAEUAGOBSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CC[C@@H](COC)Nc1ccncc1C(N)=O	ZINC000858860490	588979669	/nfs/dbraw/zinc/97/96/69/588979669.db2.gz	NPAVYTVLBAJOLB-VIFPVBQESA-N	0	1	233.271	0.053	20	30		BCEDMN
C(=NNC1=NCCN1)c1cccc2c1OCC2	ZINC000901252141	584409797	/nfs/dbraw/zinc/40/97/97/584409797.db2.gz	AJFUVXDEUOHLOA-UHFFFAOYSA-N	0	1	230.271	0.504	20	30		BCEDMN
Cc1cc(F)ncc1C=NNC1=NCCN1	ZINC000901252491	584410332	/nfs/dbraw/zinc/41/03/32/584410332.db2.gz	HLSGOVFYDJHRLX-UHFFFAOYSA-N	0	1	221.239	0.412	20	30		BCEDMN
Cc1nc[nH]c1C=NN[C@@H]1CCCC[C@H]1O	ZINC000901339761	584427513	/nfs/dbraw/zinc/42/75/13/584427513.db2.gz	YDQDWNKGHLRWBY-MWLCHTKSSA-N	0	1	222.292	0.945	20	30		BCEDMN
C#CCCOC(=O)N[C@@H]1CCCN(C)C1	ZINC000858915797	588984907	/nfs/dbraw/zinc/98/49/07/588984907.db2.gz	ITIRSXCQPFZRCS-SNVBAGLBSA-N	0	1	210.277	0.830	20	30		BCEDMN
C=CC[C@H](CO)NCc1cn(CC)cn1	ZINC000902483898	584624992	/nfs/dbraw/zinc/62/49/92/584624992.db2.gz	SOAOLMOCZXYIJE-SNVBAGLBSA-N	0	1	209.293	0.930	20	30		BCEDMN
C[C@H](NCCOCCO)c1cc(C#N)ccn1	ZINC000902725701	584661032	/nfs/dbraw/zinc/66/10/32/584661032.db2.gz	FAVNSJIONMYYAL-JTQLQIEISA-N	0	1	235.287	0.613	20	30		BCEDMN
C[C@H](CC(N)=O)N[C@@H](C)c1cc(C#N)ccn1	ZINC000902848783	584681842	/nfs/dbraw/zinc/68/18/42/584681842.db2.gz	XSWVOORBUIVHLZ-BDAKNGLRSA-N	0	1	232.287	0.868	20	30		BCEDMN
CCCS(=O)(=O)Nc1ccncc1C#N	ZINC000903149589	584732156	/nfs/dbraw/zinc/73/21/56/584732156.db2.gz	ARBQCPOVXFVDQZ-UHFFFAOYSA-N	0	1	225.273	0.527	20	30		BCEDMN
CC(C)(N)c1noc(CN2CCC[C@@H](C#N)C2)n1	ZINC000903563559	584782083	/nfs/dbraw/zinc/78/20/83/584782083.db2.gz	HVVQIFDGFNQQLH-VIFPVBQESA-N	0	1	249.318	0.999	20	30		BCEDMN
CCCCN(O)C(=O)[C@@H]1CN2CCN1CCC2	ZINC000904211687	584854292	/nfs/dbraw/zinc/85/42/92/584854292.db2.gz	AIHLHPLZPWGAEJ-NSHDSACASA-N	0	1	241.335	0.394	20	30		BCEDMN
COCCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1	ZINC000834479608	584913728	/nfs/dbraw/zinc/91/37/28/584913728.db2.gz	GSOILLKMHIBAAS-UWVGGRQHSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC[C@@H]1CCOC1	ZINC000834479742	584913781	/nfs/dbraw/zinc/91/37/81/584913781.db2.gz	IACCWMVESMYHHY-GMTAPVOTSA-N	0	1	237.303	0.031	20	30		BCEDMN
CC[C@@H]1CC[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)O1	ZINC000834480046	584913790	/nfs/dbraw/zinc/91/37/90/584913790.db2.gz	KMXKGHAGDCVRTO-ZRUFSTJUSA-N	0	1	237.303	0.172	20	30		BCEDMN
C#C[C@H](CC)NC(=O)[C@@H]1CCCCN1C	ZINC000754358026	584917793	/nfs/dbraw/zinc/91/77/93/584917793.db2.gz	SMQISTUEDOABFN-MNOVXSKESA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCNC(=O)CN(CCCC)CCOC	ZINC000731667158	584928023	/nfs/dbraw/zinc/92/80/23/584928023.db2.gz	MZIPTJSWIKKETD-UHFFFAOYSA-N	0	1	226.320	0.484	20	30		BCEDMN
C=CC1CCN(CC(=O)NCCC#N)CC1	ZINC000732205947	584934550	/nfs/dbraw/zinc/93/45/50/584934550.db2.gz	KKHLHUMNOBDQJA-UHFFFAOYSA-N	0	1	221.304	0.914	20	30		BCEDMN
CCCCCN(CCO)CC(=O)NCCC#N	ZINC000732871022	584941598	/nfs/dbraw/zinc/94/15/98/584941598.db2.gz	BBDYIOWKQRSEMT-UHFFFAOYSA-N	0	1	241.335	0.501	20	30		BCEDMN
CCc1cccc2c1NC(=O)C2=NNC(=N)N	ZINC000733077527	584942803	/nfs/dbraw/zinc/94/28/03/584942803.db2.gz	BEQZHBMSJXFDKB-UHFFFAOYSA-N	0	1	231.259	0.388	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NCCC#N)CCS1	ZINC000755199745	584946673	/nfs/dbraw/zinc/94/66/73/584946673.db2.gz	OQLZQRLKIFFGAQ-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C#CCNC(=O)CN(CCC(=O)OC)C(C)C	ZINC000733614096	584951330	/nfs/dbraw/zinc/95/13/30/584951330.db2.gz	XUKDOBBELHGXPB-UHFFFAOYSA-N	0	1	240.303	0.009	20	30		BCEDMN
N#CCCN1CCN(C[C@@H](O)C2CC2)CC1	ZINC000734149483	584957529	/nfs/dbraw/zinc/95/75/29/584957529.db2.gz	ANLKVLPVJHBJQC-GFCCVEGCSA-N	0	1	223.320	0.289	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2=COCC2)CC1	ZINC000734127198	584958565	/nfs/dbraw/zinc/95/85/65/584958565.db2.gz	OWECRFCNWOBASC-UHFFFAOYSA-N	0	1	235.287	0.395	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2c[nH]nn2)nc1	ZINC000734329209	584960096	/nfs/dbraw/zinc/96/00/96/584960096.db2.gz	DQWJJVJZZWITLU-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)OCc1c[nH]nn1	ZINC000734332314	584960181	/nfs/dbraw/zinc/96/01/81/584960181.db2.gz	OUYKLQXWZBATIC-QMMMGPOBSA-N	0	1	225.248	0.829	20	30		BCEDMN
Cn1nncc1N=NCc1cccc2nccn21	ZINC000814983043	584972076	/nfs/dbraw/zinc/97/20/76/584972076.db2.gz	ACGZJSPNFDRZQI-UHFFFAOYSA-N	0	1	241.258	0.909	20	30		BCEDMN
CC1(C)CN(CC(=O)NCCC#N)CCCO1	ZINC000735311868	584975500	/nfs/dbraw/zinc/97/55/00/584975500.db2.gz	XWMNZTKPSLKSBC-UHFFFAOYSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=C(C)C[N@@H+](CCN1CCOCC1)CC(=O)[O-]	ZINC000736095025	584989439	/nfs/dbraw/zinc/98/94/39/584989439.db2.gz	FCWCXETWVQJTRH-UHFFFAOYSA-N	0	1	242.319	0.281	20	30		BCEDMN
CC(C#N)C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736679908	585009706	/nfs/dbraw/zinc/00/97/06/585009706.db2.gz	RGSRESNPHFRVQT-MWLCHTKSSA-N	0	1	232.287	0.345	20	30		BCEDMN
C#CCN(C(=O)NC[C@@H]1CCN1CC)C1CC1	ZINC000890060636	585016477	/nfs/dbraw/zinc/01/64/77/585016477.db2.gz	VOHCBKNZJYCQBQ-LBPRGKRZSA-N	0	1	235.331	0.888	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1nc[nH]n1)[C@@H]1CCCO1	ZINC000772892465	585018395	/nfs/dbraw/zinc/01/83/95/585018395.db2.gz	XFULCQYKJQVMPD-ZJUUUORDSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)c1cc(CCC)[nH]n1	ZINC000838267706	585051527	/nfs/dbraw/zinc/05/15/27/585051527.db2.gz	RIPVNSLEOKPVJQ-LLVKDONJSA-N	0	1	247.298	0.836	20	30		BCEDMN
C=CCONC(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000838706960	585065467	/nfs/dbraw/zinc/06/54/67/585065467.db2.gz	XEQMMZQCPCEYBX-JTQLQIEISA-N	0	1	243.307	0.124	20	30		BCEDMN
C=CCONC(=O)N[C@H]1CCN(CCOC)C1	ZINC000838706960	585065468	/nfs/dbraw/zinc/06/54/68/585065468.db2.gz	XEQMMZQCPCEYBX-JTQLQIEISA-N	0	1	243.307	0.124	20	30		BCEDMN
C=CCONC(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000838706961	585065491	/nfs/dbraw/zinc/06/54/91/585065491.db2.gz	XEQMMZQCPCEYBX-SNVBAGLBSA-N	0	1	243.307	0.124	20	30		BCEDMN
C=CCONC(=O)N[C@@H]1CCN(CCOC)C1	ZINC000838706961	585065492	/nfs/dbraw/zinc/06/54/92/585065492.db2.gz	XEQMMZQCPCEYBX-SNVBAGLBSA-N	0	1	243.307	0.124	20	30		BCEDMN
CC#CC(=O)N1CCN(C2CCOCC2)CC1	ZINC000788305153	585068234	/nfs/dbraw/zinc/06/82/34/585068234.db2.gz	LYGWOEQJNYEZKR-UHFFFAOYSA-N	0	1	236.315	0.333	20	30		BCEDMN
Cc1cn[nH]c1CN1CCN(C(=O)CC#N)CC1	ZINC000886228659	585115845	/nfs/dbraw/zinc/11/58/45/585115845.db2.gz	CYTZIMBUZIQJBG-UHFFFAOYSA-N	0	1	247.302	0.276	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)c1ncn[nH]1	ZINC000746162215	585164325	/nfs/dbraw/zinc/16/43/25/585164325.db2.gz	KDYPEFGIDGALQB-SSDOTTSWSA-N	0	1	207.237	0.473	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)c1nc[nH]n1	ZINC000746162215	585164326	/nfs/dbraw/zinc/16/43/26/585164326.db2.gz	KDYPEFGIDGALQB-SSDOTTSWSA-N	0	1	207.237	0.473	20	30		BCEDMN
N=C(N)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000747750689	585183331	/nfs/dbraw/zinc/18/33/31/585183331.db2.gz	DAUDLMIHBWNAJJ-UHFFFAOYSA-N	0	1	246.230	0.893	20	30		BCEDMN
C#Cc1ccc(C(=O)NCCc2nc[nH]n2)nc1	ZINC000748359930	585191679	/nfs/dbraw/zinc/19/16/79/585191679.db2.gz	BZOMUVMJETYFPH-UHFFFAOYSA-N	0	1	241.254	0.154	20	30		BCEDMN
CO[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000750395405	585214112	/nfs/dbraw/zinc/21/41/12/585214112.db2.gz	NYBRFJWGGLZSRR-APPZFPTMSA-N	0	1	224.260	0.399	20	30		BCEDMN
C[C@@H](CO)NN=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000751132428	585224433	/nfs/dbraw/zinc/22/44/33/585224433.db2.gz	BSERCWLUOMGPQM-ZETCQYMHSA-N	0	1	239.231	0.605	20	30		BCEDMN
COC[C@H]1CCCN1CC(=O)NCCC#N	ZINC000752087000	585242165	/nfs/dbraw/zinc/24/21/65/585242165.db2.gz	BTOKSVHZNQLVIX-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
Cc1nc(COC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000752518715	585247222	/nfs/dbraw/zinc/24/72/22/585247222.db2.gz	CGHMZLVMQOVWPX-UHFFFAOYSA-N	0	1	231.215	0.670	20	30		BCEDMN
C#CCOCCNC(=O)c1ccc(F)cc1O	ZINC000753230072	585255127	/nfs/dbraw/zinc/25/51/27/585255127.db2.gz	HBZFNSWNKXNLDO-UHFFFAOYSA-N	0	1	237.230	0.911	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=NC1=N[C@@H]2CCCC[C@H]2N1	ZINC000753927123	585272150	/nfs/dbraw/zinc/27/21/50/585272150.db2.gz	AKXLWPUIOJSXFV-GMTAPVOTSA-N	0	1	249.362	0.784	20	30		BCEDMN
CNC(=S)NN=C1CN(C(C)C)C[C@H]1C	ZINC000754253861	585281378	/nfs/dbraw/zinc/28/13/78/585281378.db2.gz	HXTVWOJHYHWLLG-MRVPVSSYSA-N	0	1	228.365	0.796	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCN(CC)[C@H](C)C1	ZINC000754388053	585283730	/nfs/dbraw/zinc/28/37/30/585283730.db2.gz	SJRRHJMVIZBUAL-VXGBXAGGSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCN(CC)[C@H](C)C1	ZINC000754388047	585283981	/nfs/dbraw/zinc/28/39/81/585283981.db2.gz	SJRRHJMVIZBUAL-NEPJUHHUSA-N	0	1	237.347	0.150	20	30		BCEDMN
CCc1nc(COC(=O)C(C)(C)C#N)n[nH]1	ZINC000754789514	585290875	/nfs/dbraw/zinc/29/08/75/585290875.db2.gz	TVLBZFIVIPRELS-UHFFFAOYSA-N	0	1	222.248	0.960	20	30		BCEDMN
CC[C@@]1(C)NC(=O)N(N=Cc2[nH]cnc2C)C1=O	ZINC000755554891	585301374	/nfs/dbraw/zinc/30/13/74/585301374.db2.gz	OIWUWDMWJQSTES-LLVKDONJSA-N	0	1	249.274	0.773	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839733400	585336993	/nfs/dbraw/zinc/33/69/93/585336993.db2.gz	KAPFZBHGHQZFTM-RKDXNWHRSA-N	0	1	228.248	0.313	20	30		BCEDMN
CN1CCCC(=NNCCS(C)(=O)=O)CC1	ZINC000758110815	585349234	/nfs/dbraw/zinc/34/92/34/585349234.db2.gz	QHSXNJVBJWGEAU-UHFFFAOYSA-N	0	1	247.364	0.092	20	30		BCEDMN
C#CCNC(=S)N1CCN(C(C)C)CC1	ZINC000758194149	585351652	/nfs/dbraw/zinc/35/16/52/585351652.db2.gz	KCOSIROERYCQEO-UHFFFAOYSA-N	0	1	225.361	0.520	20	30		BCEDMN
C#CCNC(=S)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000758251512	585352877	/nfs/dbraw/zinc/35/28/77/585352877.db2.gz	LRFINLVOOLDFDN-MRVPVSSYSA-N	0	1	236.344	0.746	20	30		BCEDMN
C#CCN(CC)CCCCS(C)(=O)=O	ZINC000759716601	585379478	/nfs/dbraw/zinc/37/94/78/585379478.db2.gz	AMYAUFRDHRNLDJ-UHFFFAOYSA-N	0	1	217.334	0.766	20	30		BCEDMN
C#CCNC(=O)CNC(C)(C)c1ccc(C)nc1	ZINC000759910357	585382648	/nfs/dbraw/zinc/38/26/48/585382648.db2.gz	GRJMFMSGZVQTDN-UHFFFAOYSA-N	0	1	245.326	0.964	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ncc(F)cn1	ZINC000760255046	585387658	/nfs/dbraw/zinc/38/76/58/585387658.db2.gz	QJYHEMNCODCKON-SSDOTTSWSA-N	0	1	223.255	0.965	20	30		BCEDMN
C#CCCCC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000760314603	585389946	/nfs/dbraw/zinc/38/99/46/585389946.db2.gz	QOELUNNMVSFCSH-GFCCVEGCSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCCCC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000760343133	585390732	/nfs/dbraw/zinc/39/07/32/585390732.db2.gz	CKZWRRSZYZAQLU-UHFFFAOYSA-N	0	1	247.302	0.889	20	30		BCEDMN
C#CCCN1CCN(C[C@H]2COCCO2)CC1	ZINC000760840470	585398590	/nfs/dbraw/zinc/39/85/90/585398590.db2.gz	LCLPFBVBOGAPOQ-ZDUSSCGKSA-N	0	1	238.331	0.043	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCN(C)[C@@H](C)C1	ZINC000761074540	585405264	/nfs/dbraw/zinc/40/52/64/585405264.db2.gz	XGBJGWNFDQQURN-QWRGUYRKSA-N	0	1	225.336	0.313	20	30		BCEDMN
C#CCOCCN(C)[C@@H](C)C(=O)NC(C)(C)C	ZINC000761109212	585410392	/nfs/dbraw/zinc/41/03/92/585410392.db2.gz	OMQDLBBDDAKMLP-NSHDSACASA-N	0	1	240.347	0.871	20	30		BCEDMN
Cc1[nH]cnc1C=NNc1cnn(C)c1	ZINC000761880603	585422178	/nfs/dbraw/zinc/42/21/78/585422178.db2.gz	HQQXCOPWQOBSHQ-UHFFFAOYSA-N	0	1	204.237	0.898	20	30		BCEDMN
N#Cc1ccc(CC(=O)Nc2c[nH]nn2)cc1	ZINC000763200197	585444612	/nfs/dbraw/zinc/44/46/12/585444612.db2.gz	ZMUSFINTFSXMIQ-UHFFFAOYSA-N	0	1	227.227	0.858	20	30		BCEDMN
COc1nccnc1[N-][NH+]=Cc1cnc(N)nc1	ZINC000763408584	585447825	/nfs/dbraw/zinc/44/78/25/585447825.db2.gz	OWYCLAYYZVGTJP-UHFFFAOYSA-N	0	1	245.246	0.303	20	30		BCEDMN
C#C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCCO1	ZINC000763780906	585454200	/nfs/dbraw/zinc/45/42/00/585454200.db2.gz	OFKLTURGDNJEKW-SDDRHHMPSA-N	0	1	249.310	0.853	20	30		BCEDMN
C#CCN(CC[C@H]1CCS(=O)(=O)C1)C1CC1	ZINC000763951253	585457585	/nfs/dbraw/zinc/45/75/85/585457585.db2.gz	SNOSTFJAJSYQEQ-NSHDSACASA-N	0	1	241.356	0.909	20	30		BCEDMN
CC#CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000764058110	585459208	/nfs/dbraw/zinc/45/92/08/585459208.db2.gz	PYTLOYIGCJKWIL-TXEJJXNPSA-N	0	1	238.331	0.625	20	30		BCEDMN
COc1cc(C(=O)NC2=NO[C@H](C)C2)on1	ZINC000764284715	585463400	/nfs/dbraw/zinc/46/34/00/585463400.db2.gz	QODLIQNIWMOOIU-RXMQYKEDSA-N	0	1	225.204	0.535	20	30		BCEDMN
C#CCCCNC(=O)CN(C)[C@H]1CCSC1	ZINC000764409327	585465207	/nfs/dbraw/zinc/46/52/07/585465207.db2.gz	UOPXAJZMSCIVOI-NSHDSACASA-N	0	1	240.372	0.953	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)C(C)C#N	ZINC000765221215	585482762	/nfs/dbraw/zinc/48/27/62/585482762.db2.gz	CRRQQYASVWVFJW-SECBINFHSA-N	0	1	224.260	0.724	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)C(C)C#N	ZINC000765221216	585482881	/nfs/dbraw/zinc/48/28/81/585482881.db2.gz	CRRQQYASVWVFJW-VIFPVBQESA-N	0	1	224.260	0.724	20	30		BCEDMN
CC(C)S(=O)(=O)C=C(O)NC1=NO[C@@H](C)C1	ZINC000765376902	585484607	/nfs/dbraw/zinc/48/46/07/585484607.db2.gz	RHTJNBCFJWQPRS-ZETCQYMHSA-N	0	1	248.304	0.048	20	30		BCEDMN
Cc1nonc1C(=O)N=C1C[C@@H](C)ON1	ZINC000765376748	585484755	/nfs/dbraw/zinc/48/47/55/585484755.db2.gz	PRZFEIIBIOFELE-SCSAIBSYSA-N	0	1	210.193	0.230	20	30		BCEDMN
C#CCCCN1CCN(CC(=O)NCC)CC1	ZINC000766896430	585509849	/nfs/dbraw/zinc/50/98/49/585509849.db2.gz	OLWXSIQRDOQSRA-UHFFFAOYSA-N	0	1	237.347	0.154	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@H]1CCO	ZINC000767592170	585522468	/nfs/dbraw/zinc/52/24/68/585522468.db2.gz	GHBLEFYAKFZBNB-VXGBXAGGSA-N	0	1	229.320	0.397	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCc1c[nH]nn1	ZINC000768221836	585533984	/nfs/dbraw/zinc/53/39/84/585533984.db2.gz	RZGOAHZSQNJKTD-UHFFFAOYSA-N	0	1	206.249	0.470	20	30		BCEDMN
C[C@H](C#N)OC(=O)CCCCc1cn[nH]n1	ZINC000768509561	585539423	/nfs/dbraw/zinc/53/94/23/585539423.db2.gz	MWHUFCGLSBQBMY-MRVPVSSYSA-N	0	1	222.248	0.973	20	30		BCEDMN
C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000769281184	585552509	/nfs/dbraw/zinc/55/25/09/585552509.db2.gz	HFJJTJNTMPNTPD-GUBZILKMSA-N	0	1	220.272	0.974	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCCC2(C1)OCCO2	ZINC000770264393	585572451	/nfs/dbraw/zinc/57/24/51/585572451.db2.gz	WGPUUBKTDUNHEG-LLVKDONJSA-N	0	1	227.304	0.762	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C	ZINC000771406231	585594042	/nfs/dbraw/zinc/59/40/42/585594042.db2.gz	TVXMWQXAHGPFDG-RYUDHWBXSA-N	0	1	238.331	0.577	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1CC(=O)NCCC#N	ZINC000771463836	585594211	/nfs/dbraw/zinc/59/42/11/585594211.db2.gz	ZRPZJBJXUJAMEJ-WDEREUQCSA-N	0	1	238.335	0.041	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1CCCO1	ZINC000772889047	585626506	/nfs/dbraw/zinc/62/65/06/585626506.db2.gz	FYOVOCHGJLZXQY-SDDRHHMPSA-N	0	1	236.315	0.378	20	30		BCEDMN
Cn1[nH]ccc1=NN=C1CCC[N@@H+](C)CC1	ZINC000774408179	585657486	/nfs/dbraw/zinc/65/74/86/585657486.db2.gz	ALFSTHBBYAJLJC-UHFFFAOYSA-N	0	1	221.308	0.726	20	30		BCEDMN
C#C[C@H](NC/C=C(/C)C(=O)OC)[C@H]1CCCO1	ZINC000775797840	585685287	/nfs/dbraw/zinc/68/52/87/585685287.db2.gz	GCYKJLPHDOBDGK-DXGKCEBASA-N	0	1	237.299	0.876	20	30		BCEDMN
C#C[C@H](N[C@H]1CCCN(C)C1=O)[C@@H]1CCCO1	ZINC000775801201	585685630	/nfs/dbraw/zinc/68/56/30/585685630.db2.gz	WRJORBDMMWAUDM-SRVKXCTJSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCN(C[C@@H](O)CC(=O)OCC)C1CC1	ZINC000859251689	589024626	/nfs/dbraw/zinc/02/46/26/589024626.db2.gz	BSJYAVCIBMCOTE-NSHDSACASA-N	0	1	225.288	0.398	20	30		BCEDMN
N#CCOC(=O)Cc1n[nH]c2c1CCCC2	ZINC000777086114	585708361	/nfs/dbraw/zinc/70/83/61/585708361.db2.gz	QMIGCWIAUVLCAD-UHFFFAOYSA-N	0	1	219.244	0.898	20	30		BCEDMN
C#C[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2	ZINC000777229758	585709694	/nfs/dbraw/zinc/70/96/94/585709694.db2.gz	PWXDRLKLRFCTDC-SECBINFHSA-N	0	1	231.299	0.969	20	30		BCEDMN
N#CCNC(=O)Cc1n[nH]c2c1CCCC2	ZINC000777243211	585709840	/nfs/dbraw/zinc/70/98/40/585709840.db2.gz	KJXQEOXMAIWUJA-UHFFFAOYSA-N	0	1	218.260	0.471	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@](CC)(CO)C1	ZINC000778328767	585731725	/nfs/dbraw/zinc/73/17/25/585731725.db2.gz	OPMPGSMBZQFTQK-CYBMUJFWSA-N	0	1	238.331	0.220	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccccn2)N1	ZINC000779792975	585764124	/nfs/dbraw/zinc/76/41/24/585764124.db2.gz	QFSLXZVWDPBFSU-MRVPVSSYSA-N	0	1	203.249	0.353	20	30		BCEDMN
COC(=O)c1ccc(C=NNC2=NC[C@@H](C)N2)[nH]1	ZINC000779800407	585764611	/nfs/dbraw/zinc/76/46/11/585764611.db2.gz	YVWXLQDEQXNRTM-SSDOTTSWSA-N	0	1	249.274	0.073	20	30		BCEDMN
Cc1nn(C)c(C)c1C=NNC1=NC[C@H](C)N1	ZINC000779801256	585764678	/nfs/dbraw/zinc/76/46/78/585764678.db2.gz	STOGANLBKDGRII-ZETCQYMHSA-N	0	1	234.307	0.308	20	30		BCEDMN
Cc1ncccc1C=NNC1=NC[C@@H](C)N1	ZINC000779801835	585764828	/nfs/dbraw/zinc/76/48/28/585764828.db2.gz	YVQHBVBDSNWCJI-MRVPVSSYSA-N	0	1	217.276	0.661	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn3ccccc3n2)N1	ZINC000779801800	585764910	/nfs/dbraw/zinc/76/49/10/585764910.db2.gz	XUEPDFGXPLENGO-SECBINFHSA-N	0	1	242.286	0.606	20	30		BCEDMN
Cc1nc[nH]c1C=NNc1ccncc1	ZINC000779808601	585765741	/nfs/dbraw/zinc/76/57/41/585765741.db2.gz	MUNSWMIQTSINJS-UHFFFAOYSA-N	0	1	201.233	0.981	20	30		BCEDMN
C1C[C@@H]2C(=NN[C@@H]3CCCOC3)CCN2C1	ZINC000780261088	585775714	/nfs/dbraw/zinc/77/57/14/585775714.db2.gz	KOBHTORFZQAHSX-ZYHUDNBSSA-N	0	1	223.320	0.979	20	30		BCEDMN
N#Cc1cc(F)c(C=NNC(=N)N)c(F)c1	ZINC000782187670	585811156	/nfs/dbraw/zinc/81/11/56/585811156.db2.gz	RVMJOOYUCABKKT-UHFFFAOYSA-N	0	1	223.186	0.653	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cnccc1C	ZINC000782999643	585826832	/nfs/dbraw/zinc/82/68/32/585826832.db2.gz	QWWLIKJPWZSDNJ-NSHDSACASA-N	0	1	231.299	0.790	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC(C)(C)C#N	ZINC000786317269	585889437	/nfs/dbraw/zinc/88/94/37/585889437.db2.gz	UGNUVVMEZPLTER-ZETCQYMHSA-N	0	1	207.233	0.381	20	30		BCEDMN
CCc1nc([C@H](C)NC(=O)NCCC#N)n[nH]1	ZINC000787359590	585907734	/nfs/dbraw/zinc/90/77/34/585907734.db2.gz	QNYMUYFWLNLMQB-ZETCQYMHSA-N	0	1	236.279	0.641	20	30		BCEDMN
CCOCCC=Nn1c(=O)c(C)n[nH]c1=S	ZINC000788416333	585922702	/nfs/dbraw/zinc/92/27/02/585922702.db2.gz	VHYAPNOMANYSMW-UHFFFAOYSA-N	0	1	242.304	0.496	20	30		BCEDMN
C[C@H]1CC(N=N[C@H]2CCOC2)CN1C1CC1	ZINC000788449218	585924336	/nfs/dbraw/zinc/92/43/36/585924336.db2.gz	WZXPRMSPKFUWGW-UWVGGRQHSA-N	0	1	223.320	0.978	20	30		BCEDMN
C#CCN1CCC([C@@H](O)c2ncc[nH]2)CC1	ZINC000788467371	585925014	/nfs/dbraw/zinc/92/50/14/585925014.db2.gz	GLKUVDFSYMXFLJ-LLVKDONJSA-N	0	1	219.288	0.788	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)Nc1c[nH]nn1	ZINC000789927202	585953751	/nfs/dbraw/zinc/95/37/51/585953751.db2.gz	PPDNUMQKKXJTAM-UHFFFAOYSA-N	0	1	216.204	0.267	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(CCC#N)CC1CC1	ZINC000789975147	585955152	/nfs/dbraw/zinc/95/51/52/585955152.db2.gz	RZMNDEXAJRGNJZ-UHFFFAOYSA-N	0	1	233.275	0.879	20	30		BCEDMN
N=C(N)NN=Cc1nccn1-c1ccccc1	ZINC000790153102	585958742	/nfs/dbraw/zinc/95/87/42/585958742.db2.gz	CTQCQXJKCVSCEL-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cc(C)on1	ZINC000790297722	585962388	/nfs/dbraw/zinc/96/23/88/585962388.db2.gz	OMBKFUVCMCWQEA-LURJTMIESA-N	0	1	221.264	0.644	20	30		BCEDMN
COC(=O)c1ccc(C=N[N-]c2[nH+]ccn2C)[nH]1	ZINC000790300361	585962673	/nfs/dbraw/zinc/96/26/73/585962673.db2.gz	VAEQTWIIYGPDBY-UHFFFAOYSA-N	0	1	247.258	0.981	20	30		BCEDMN
Cc1ccccc1-n1nccc1C=NNC(=N)N	ZINC000794488843	586040577	/nfs/dbraw/zinc/04/05/77/586040577.db2.gz	NBGXXKWPIICULR-UHFFFAOYSA-N	0	1	242.286	0.998	20	30		BCEDMN
CC(C)n1nccc1C=NNC1=NC[C@H](C)N1	ZINC000794532088	586042262	/nfs/dbraw/zinc/04/22/62/586042262.db2.gz	ZZMFYGUNAPWZEJ-VIFPVBQESA-N	0	1	234.307	0.735	20	30		BCEDMN
Cc1ccncc1C=NNC1=NC[C@H](C)N1	ZINC000794529388	586042327	/nfs/dbraw/zinc/04/23/27/586042327.db2.gz	CMCDLYRAIJQABS-VIFPVBQESA-N	0	1	217.276	0.661	20	30		BCEDMN
Cc1cnn(C)c1CN=Nc1cnn(C)c1	ZINC000794940510	586056815	/nfs/dbraw/zinc/05/68/15/586056815.db2.gz	WSNGLTJLGWAKSK-UHFFFAOYSA-N	0	1	218.264	0.908	20	30		BCEDMN
COCCN(C)N=C1CCN2CCC[C@@H]12	ZINC000794964184	586058317	/nfs/dbraw/zinc/05/83/17/586058317.db2.gz	YMXCIDNMOOFMIX-NSHDSACASA-N	0	1	211.309	0.789	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1	ZINC000794975141	586060180	/nfs/dbraw/zinc/06/01/80/586060180.db2.gz	WUGTZCJFBDWVFY-YTWAJWBKSA-N	0	1	225.288	0.274	20	30		BCEDMN
C#CCNC(=S)NCCN1CC=CCC1	ZINC000795015778	586065637	/nfs/dbraw/zinc/06/56/37/586065637.db2.gz	TVAXENBSJOYLIE-UHFFFAOYSA-N	0	1	223.345	0.346	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc(C)n(C)n1	ZINC000799884193	586200532	/nfs/dbraw/zinc/20/05/32/586200532.db2.gz	HHHNUNQIMDUECD-SSDOTTSWSA-N	0	1	234.307	0.390	20	30		BCEDMN
Cn1cc(-c2ccc(C=NNC(=N)N)s2)cn1	ZINC000800810670	586230742	/nfs/dbraw/zinc/23/07/42/586230742.db2.gz	XJBVEYIMNBDKDX-UHFFFAOYSA-N	0	1	248.315	0.966	20	30		BCEDMN
CC#CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000801180323	586246012	/nfs/dbraw/zinc/24/60/12/586246012.db2.gz	VSXYQHCXXZHTIR-QWRGUYRKSA-N	0	1	208.305	0.951	20	30		BCEDMN
Cc1nc(C(=O)N=C2C[C@H](C)ON2)co1	ZINC000801637857	586267203	/nfs/dbraw/zinc/26/72/03/586267203.db2.gz	KIRKAEDDSZQFRY-YFKPBYRVSA-N	0	1	209.205	0.835	20	30		BCEDMN
C[C@H](C#N)OCCN1CCCC[C@@]1(C)C(N)=O	ZINC000801940350	586279390	/nfs/dbraw/zinc/27/93/90/586279390.db2.gz	AEULURGBCGDCNF-PWSUYJOCSA-N	0	1	239.319	0.645	20	30		BCEDMN
COCC#CCOC(=O)[C@@H](C(C)C)N(C)C	ZINC000803495358	586362136	/nfs/dbraw/zinc/36/21/36/586362136.db2.gz	OHXNRPHCANPELV-LLVKDONJSA-N	0	1	227.304	0.766	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(CC)C[C@H]1C	ZINC000804382207	586394519	/nfs/dbraw/zinc/39/45/19/586394519.db2.gz	YOYKHKDAECIANH-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCn1ccnc1C=NNc1cnn(C)c1	ZINC000807986033	586455564	/nfs/dbraw/zinc/45/55/64/586455564.db2.gz	WDJOTWNPKWBXHK-UHFFFAOYSA-N	0	1	228.259	0.696	20	30		BCEDMN
C#CCCS(=O)(=O)NCc1cc(CC)[nH]n1	ZINC000808295531	586469452	/nfs/dbraw/zinc/46/94/52/586469452.db2.gz	ZLNPEWQBRGPTOE-UHFFFAOYSA-N	0	1	241.316	0.415	20	30		BCEDMN
CON=CC(=O)Nc1cc(C(F)(F)F)n[nH]1	ZINC000809722283	586515146	/nfs/dbraw/zinc/51/51/46/586515146.db2.gz	RLLJIJSLVHYRGT-UHFFFAOYSA-N	0	1	236.153	0.999	20	30		BCEDMN
C#Cc1ccccc1CC(=O)NCc1nnc[nH]1	ZINC000810183565	586536031	/nfs/dbraw/zinc/53/60/31/586536031.db2.gz	APUOYRUVERVYOF-UHFFFAOYSA-N	0	1	240.266	0.645	20	30		BCEDMN
COC(=O)CN(CC#N)Cc1[nH]ncc1C	ZINC000811466377	586559600	/nfs/dbraw/zinc/55/96/00/586559600.db2.gz	RLMZVMWDTZILFZ-UHFFFAOYSA-N	0	1	222.248	0.217	20	30		BCEDMN
CN(C)c1ncc(C=NNCC(F)F)n1C	ZINC000811643023	586562643	/nfs/dbraw/zinc/56/26/43/586562643.db2.gz	PBINOEWJXBJTBD-UHFFFAOYSA-N	0	1	231.250	0.675	20	30		BCEDMN
C#CCN(C)C(=O)N[C@H]1CCCN(C)C1	ZINC000812011059	586569512	/nfs/dbraw/zinc/56/95/12/586569512.db2.gz	PMSQGRXEEQUGMB-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
N#CCCCC(=O)OCCc1c[nH]nn1	ZINC000813070077	586590504	/nfs/dbraw/zinc/59/05/04/586590504.db2.gz	BRURQOLBVUXRNM-UHFFFAOYSA-N	0	1	208.221	0.584	20	30		BCEDMN
N#CCCCC(=O)OCCc1cnn[nH]1	ZINC000813070077	586590505	/nfs/dbraw/zinc/59/05/05/586590505.db2.gz	BRURQOLBVUXRNM-UHFFFAOYSA-N	0	1	208.221	0.584	20	30		BCEDMN
Cc1nnsc1C=NNC1=NC[C@@H](C)N1	ZINC000814225430	586618072	/nfs/dbraw/zinc/61/80/72/586618072.db2.gz	HODVNAKTVFWEHE-RXMQYKEDSA-N	0	1	224.293	0.118	20	30		BCEDMN
CCSCC=Nn1c(=O)c(C)n[nH]c1=S	ZINC000814724340	586630565	/nfs/dbraw/zinc/63/05/65/586630565.db2.gz	MHKLYVNJWISLSD-UHFFFAOYSA-N	0	1	244.345	0.822	20	30		BCEDMN
Cc1cc(N=NCc2cnn(C)n2)nc(C)n1	ZINC000814807114	586636286	/nfs/dbraw/zinc/63/62/86/586636286.db2.gz	GJFQJAKABAZRLP-UHFFFAOYSA-N	0	1	231.263	0.668	20	30		BCEDMN
C[C@H]1CN=C(NN=C2COc3cc(F)ccc32)N1	ZINC000814897162	586645186	/nfs/dbraw/zinc/64/51/86/586645186.db2.gz	GITCPDBKJMPAPR-ZETCQYMHSA-N	0	1	248.261	0.860	20	30		BCEDMN
CN(CCC#N)c1ccc(C=NNCCO)cc1	ZINC000814942604	586656810	/nfs/dbraw/zinc/65/68/10/586656810.db2.gz	LGDZFATVQXIHGB-UHFFFAOYSA-N	0	1	246.314	0.952	20	30		BCEDMN
Cc1nn(-c2ccncc2)cc1C=NNCCO	ZINC000814943957	586657508	/nfs/dbraw/zinc/65/75/08/586657508.db2.gz	OUBKOAYTTJJITF-UHFFFAOYSA-N	0	1	245.286	0.492	20	30		BCEDMN
C[C@H](O)CNN=Cc1ccc(N2CCCC2)nc1	ZINC000814960304	586658922	/nfs/dbraw/zinc/65/89/22/586658922.db2.gz	QCVNKSVCYFAHFD-NSHDSACASA-N	0	1	248.330	0.986	20	30		BCEDMN
C[C@@H](O)CNN=Cc1cnccc1N(C)C	ZINC000814964783	586660976	/nfs/dbraw/zinc/66/09/76/586660976.db2.gz	DPLPITSAXDVSEL-SECBINFHSA-N	0	1	222.292	0.452	20	30		BCEDMN
CC(N=Nc1cnnn1C)c1cnn(C)c1	ZINC000814981381	586662836	/nfs/dbraw/zinc/66/28/36/586662836.db2.gz	FPKDUJXTODCADE-UHFFFAOYSA-N	0	1	219.252	0.385	20	30		BCEDMN
Cn1nncc1N=NCc1ccc(O)c(O)c1	ZINC000814982708	586663397	/nfs/dbraw/zinc/66/33/97/586663397.db2.gz	LSSHTJNIHUMXFY-UHFFFAOYSA-N	0	1	233.231	0.672	20	30		BCEDMN
Cn1nncc1NN=Cc1nc(C(C)(C)C)no1	ZINC000814983349	586663546	/nfs/dbraw/zinc/66/35/46/586663546.db2.gz	FSYWRPBQVVAKJY-UHFFFAOYSA-N	0	1	249.278	0.942	20	30		BCEDMN
COc1c(O)cccc1CN=Nc1cnnn1C	ZINC000814983146	586663600	/nfs/dbraw/zinc/66/36/00/586663600.db2.gz	ANWHOMVCRBUPKW-UHFFFAOYSA-N	0	1	247.258	0.975	20	30		BCEDMN
C=CCOCCNC1(CO)COC(C)(C)OC1	ZINC000815102472	586666462	/nfs/dbraw/zinc/66/64/62/586666462.db2.gz	IXXJGYKOAYAGGI-UHFFFAOYSA-N	0	1	245.319	0.293	20	30		BCEDMN
C=CCC(F)(F)C(=O)N1CC(N(C)C)C1	ZINC000815886985	586696266	/nfs/dbraw/zinc/69/62/66/586696266.db2.gz	PDWOODRPNPJXCC-UHFFFAOYSA-N	0	1	218.247	0.970	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000816674144	586754157	/nfs/dbraw/zinc/75/41/57/586754157.db2.gz	RWBXMRTXDJKXSS-ZJUUUORDSA-N	0	1	247.298	0.330	20	30		BCEDMN
CC(C#N)C(=O)N(C)[C@H]1CC(C)(C)OC1=O	ZINC000817074165	586781171	/nfs/dbraw/zinc/78/11/71/586781171.db2.gz	MEWPYFUJMOOZEJ-YUMQZZPRSA-N	0	1	224.260	0.699	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000817165638	586784821	/nfs/dbraw/zinc/78/48/21/586784821.db2.gz	OGCLTFVKIMNKFG-MNOVXSKESA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000817680983	586817270	/nfs/dbraw/zinc/81/72/70/586817270.db2.gz	BLZYQACLFKKKJK-UWVGGRQHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000817680981	586817632	/nfs/dbraw/zinc/81/76/32/586817632.db2.gz	BLZYQACLFKKKJK-NXEZZACHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C[N@H+](CC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1	ZINC000818402236	586889779	/nfs/dbraw/zinc/88/97/79/586889779.db2.gz	BPXCUPCRGOOUGT-NSHDSACASA-N	0	1	234.255	0.608	20	30		BCEDMN
C#CCOCCC(=O)O[C@H](C)c1n[nH]c(C)n1	ZINC000840367184	586911746	/nfs/dbraw/zinc/91/17/46/586911746.db2.gz	BTFSFCUMICSSGI-MRVPVSSYSA-N	0	1	237.259	0.757	20	30		BCEDMN
CC(C)OCC[C@@H](O)CNCCC#N	ZINC000819269359	586945439	/nfs/dbraw/zinc/94/54/39/586945439.db2.gz	GKMPHNPGPNSXCM-SNVBAGLBSA-N	0	1	200.282	0.666	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H]1CCn2ccnc21	ZINC000819338265	586953646	/nfs/dbraw/zinc/95/36/46/586953646.db2.gz	ZDBQSVIFKIUGGJ-SNVBAGLBSA-N	0	1	232.287	0.057	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840381977	586958354	/nfs/dbraw/zinc/95/83/54/586958354.db2.gz	MYGIGNGLRXUEGJ-BWZBUEFSSA-N	0	1	225.248	0.706	20	30		BCEDMN
Nc1cnccc1C=NN1CCC[C@@H]1CO	ZINC000819814249	586997799	/nfs/dbraw/zinc/99/77/99/586997799.db2.gz	XVTZRJQSXQSAOH-SNVBAGLBSA-N	0	1	220.276	0.454	20	30		BCEDMN
C#CCCNC(=O)C(C)(C)CN1CCOCC1	ZINC000819981456	587010817	/nfs/dbraw/zinc/01/08/17/587010817.db2.gz	AWTFEPUMYPNGQM-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000820059451	587016030	/nfs/dbraw/zinc/01/60/30/587016030.db2.gz	FQRSDOQFLOPJLY-JTQLQIEISA-N	0	1	247.298	0.262	20	30		BCEDMN
CC[N@H+]1CCC(=NNCCC(=O)[O-])[C@@H](C)C1	ZINC000820348316	587044632	/nfs/dbraw/zinc/04/46/32/587044632.db2.gz	QTUHNDAPADBKAX-VIFPVBQESA-N	0	1	227.308	0.768	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H](C)N(C)C)[C@@H]1CCCO1	ZINC000822073794	587151276	/nfs/dbraw/zinc/15/12/76/587151276.db2.gz	UGMXJZMRDDEEEL-VWYCJHECSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)CCCc1nn[nH]n1	ZINC000822398237	587165931	/nfs/dbraw/zinc/16/59/31/587165931.db2.gz	WQRXQTKQOCHFHM-SECBINFHSA-N	0	1	235.291	0.441	20	30		BCEDMN
C#CCN(CC#N)C(=O)CN1CCCC1	ZINC000822679245	587180773	/nfs/dbraw/zinc/18/07/73/587180773.db2.gz	FPPARKFRFIEQED-UHFFFAOYSA-N	0	1	205.261	0.068	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822681220	587180788	/nfs/dbraw/zinc/18/07/88/587180788.db2.gz	YCJCFEKJGPOTFN-GMTAPVOTSA-N	0	1	247.298	0.404	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823450776	587222913	/nfs/dbraw/zinc/22/29/13/587222913.db2.gz	IYJCMYLTPIAAKY-UWVGGRQHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=C(C)C[N@@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480545	587225135	/nfs/dbraw/zinc/22/51/35/587225135.db2.gz	GDHOWHZXEUWDIZ-UWVGGRQHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=C(C)C[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480545	587225137	/nfs/dbraw/zinc/22/51/37/587225137.db2.gz	GDHOWHZXEUWDIZ-UWVGGRQHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000823497059	587227772	/nfs/dbraw/zinc/22/77/72/587227772.db2.gz	VLMGCJMBVDWREU-NXEZZACHSA-N	0	1	228.292	0.655	20	30		BCEDMN
CC(C)(O)CCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000824173009	587259467	/nfs/dbraw/zinc/25/94/67/587259467.db2.gz	UVKWZVWXVKFRIP-UHFFFAOYSA-N	0	1	247.262	0.096	20	30		BCEDMN
C=C(C)CONC(=O)CCCc1nn[nH]n1	ZINC000824233605	587262072	/nfs/dbraw/zinc/26/20/72/587262072.db2.gz	VLIBZQBNKIXOBM-UHFFFAOYSA-N	0	1	225.252	0.146	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)CN1CCCC1)C1CC1	ZINC000824459677	587270997	/nfs/dbraw/zinc/27/09/97/587270997.db2.gz	RZLJZLDSTWOFBY-JTQLQIEISA-N	0	1	221.304	0.985	20	30		BCEDMN
C=C[C@@H](CC)CC(=O)NCc1n[nH]c(=O)n1C	ZINC000824602822	587278793	/nfs/dbraw/zinc/27/87/93/587278793.db2.gz	KAKHNHCFNKQLIM-QMMMGPOBSA-N	0	1	238.291	0.739	20	30		BCEDMN
C=CCCONC(=O)CCCc1nn[nH]n1	ZINC000824659383	587281614	/nfs/dbraw/zinc/28/16/14/587281614.db2.gz	FPSYEESLPOXDPZ-UHFFFAOYSA-N	0	1	225.252	0.146	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)[C@@H](C)N(C)C	ZINC000825079997	587303172	/nfs/dbraw/zinc/30/31/72/587303172.db2.gz	CSFPPHAHQRDTAE-MNOVXSKESA-N	0	1	226.320	0.481	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@@H](C)N(C)C	ZINC000825080707	587303519	/nfs/dbraw/zinc/30/35/19/587303519.db2.gz	VGUSNPMDNMZDSF-NXEZZACHSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#CCONC(=O)Cc1cc(CC)nn1C	ZINC000825136532	587306443	/nfs/dbraw/zinc/30/64/43/587306443.db2.gz	CVJYRXIQVCENNY-UHFFFAOYSA-N	0	1	221.260	0.206	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000825416324	587318639	/nfs/dbraw/zinc/31/86/39/587318639.db2.gz	AYFIYDGJZNCKLZ-QMMMGPOBSA-N	0	1	236.275	0.794	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000825416321	587318667	/nfs/dbraw/zinc/31/86/67/587318667.db2.gz	AYFIYDGJZNCKLZ-MRVPVSSYSA-N	0	1	236.275	0.794	20	30		BCEDMN
CC#CC[N@@H+](CC(=O)[O-])C1CCOCC1	ZINC000825710813	587333247	/nfs/dbraw/zinc/33/32/47/587333247.db2.gz	CAYYOMZJFAUKCP-UHFFFAOYSA-N	0	1	211.261	0.575	20	30		BCEDMN
CC(C)C#CC(=O)N[C@H]1CCCN(C)C1	ZINC000826598257	587356335	/nfs/dbraw/zinc/35/63/35/587356335.db2.gz	FBPZPRGCOPVPRT-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
C#Cc1cnc(N2C[C@H](C)N(C)C[C@H]2C)nc1	ZINC000827852101	587405839	/nfs/dbraw/zinc/40/58/39/587405839.db2.gz	JDLWEAZQCPGLBJ-WDEREUQCSA-N	0	1	230.315	0.987	20	30		BCEDMN
Cc1cnc(C(=O)NCC#CCN(C)C)cc1C	ZINC000827972296	587414188	/nfs/dbraw/zinc/41/41/88/587414188.db2.gz	YMBDLGUUCKITBD-UHFFFAOYSA-N	0	1	245.326	0.993	20	30		BCEDMN
C#Cc1cnc(NCc2n[nH]c(CC)n2)nc1	ZINC000828268084	587429393	/nfs/dbraw/zinc/42/93/93/587429393.db2.gz	QZFGDVMTEGURNP-UHFFFAOYSA-N	0	1	228.259	0.751	20	30		BCEDMN
COC1CC(C(=O)C(C#N)C(=O)NC(C)C)C1	ZINC000860472270	589101908	/nfs/dbraw/zinc/10/19/08/589101908.db2.gz	GOUQVDSPOGNPBM-RTBKNWGFSA-N	0	1	238.287	0.645	20	30		BCEDMN
Cc1oc(C(=O)N=C2C[C@H](C)ON2)cc1CO	ZINC000867063326	587505089	/nfs/dbraw/zinc/50/50/89/587505089.db2.gz	VNRCHQYDUNJPFP-LURJTMIESA-N	0	1	238.243	0.932	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCC(=O)C2CC2)C1	ZINC000829992520	587531122	/nfs/dbraw/zinc/53/11/22/587531122.db2.gz	YDIWVJIUVZVHHG-LBPRGKRZSA-N	0	1	222.288	0.706	20	30		BCEDMN
C=CCn1cc(C(=O)OCc2n[nH]c(C)n2)nn1	ZINC000830119835	587537127	/nfs/dbraw/zinc/53/71/27/587537127.db2.gz	HSAUZHKRXDRDRJ-UHFFFAOYSA-N	0	1	248.246	0.248	20	30		BCEDMN
C#CC1CCN([C@H](C)C(=O)NC(=O)NC)CC1	ZINC000830304886	587545315	/nfs/dbraw/zinc/54/53/15/587545315.db2.gz	AZOWWRPACPLHOJ-SECBINFHSA-N	0	1	237.303	0.176	20	30		BCEDMN
N#Cc1ccc(C[NH2+]C2CN(C(=O)[O-])C2)o1	ZINC000831126817	587587025	/nfs/dbraw/zinc/58/70/25/587587025.db2.gz	SMSCGQHHJCWMFK-UHFFFAOYSA-N	0	1	221.216	0.603	20	30		BCEDMN
Cc1nccnc1C(=O)N=C1C[C@H](C)ON1	ZINC000831398583	587603462	/nfs/dbraw/zinc/60/34/62/587603462.db2.gz	DMOTWQSGLOWTQH-LURJTMIESA-N	0	1	220.232	0.637	20	30		BCEDMN
C#CCNC(=O)CN1CCN(CC)C[C@H]1CC	ZINC000831965121	587639912	/nfs/dbraw/zinc/63/99/12/587639912.db2.gz	PVZRQFQPWHBUJZ-GFCCVEGCSA-N	0	1	237.347	0.152	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CCC(C(C)=O)CC1	ZINC000832282519	587652992	/nfs/dbraw/zinc/65/29/92/587652992.db2.gz	VFVWPBGCVBOGCD-UHFFFAOYSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000832425685	587659434	/nfs/dbraw/zinc/65/94/34/587659434.db2.gz	PVTXNUZGWBWWCP-YUMQZZPRSA-N	0	1	218.260	0.363	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833362364	587708151	/nfs/dbraw/zinc/70/81/51/587708151.db2.gz	OFHACFRXUHTIAE-UWVGGRQHSA-N	0	1	211.261	0.574	20	30		BCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCCC#N	ZINC000833629637	587725260	/nfs/dbraw/zinc/72/52/60/587725260.db2.gz	YSJOZSPIFBRWGP-NSHDSACASA-N	0	1	239.319	0.771	20	30		BCEDMN
CC[N@H+](CC#CCOC)C1CN(C(=O)[O-])C1	ZINC000833856536	587736291	/nfs/dbraw/zinc/73/62/91/587736291.db2.gz	LOCMJLCRSUZLTI-UHFFFAOYSA-N	0	1	226.276	0.320	20	30		BCEDMN
CC[N@@H+](CC#CCOC)C1CN(C(=O)[O-])C1	ZINC000833856536	587736292	/nfs/dbraw/zinc/73/62/92/587736292.db2.gz	LOCMJLCRSUZLTI-UHFFFAOYSA-N	0	1	226.276	0.320	20	30		BCEDMN
N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)ccn1	ZINC000833970585	587741283	/nfs/dbraw/zinc/74/12/83/587741283.db2.gz	QQMJFVWGHHSQQQ-JTQLQIEISA-N	0	1	246.270	0.795	20	30		BCEDMN
N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[O-])C2)ccn1	ZINC000833970585	587741285	/nfs/dbraw/zinc/74/12/85/587741285.db2.gz	QQMJFVWGHHSQQQ-JTQLQIEISA-N	0	1	246.270	0.795	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000834385311	587754152	/nfs/dbraw/zinc/75/41/52/587754152.db2.gz	DIAAPXDJTAMIKD-IUCAKERBSA-N	0	1	232.287	0.753	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(F)n1	ZINC000834479572	587756038	/nfs/dbraw/zinc/75/60/38/587756038.db2.gz	GEUCNAJHLZFTPD-CBAPKCEASA-N	0	1	234.234	0.062	20	30		BCEDMN
CC[C@H](C)OCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834480405	587756110	/nfs/dbraw/zinc/75/61/10/587756110.db2.gz	PPJXQOUVANBDNI-AEJSXWLSSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)c(F)c1	ZINC000834479220	587756116	/nfs/dbraw/zinc/75/61/16/587756116.db2.gz	BFAVLCOLWGCAEZ-SKDRFNHKSA-N	0	1	247.273	0.976	20	30		BCEDMN
Cc1cscc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834479940	587756137	/nfs/dbraw/zinc/75/61/37/587756137.db2.gz	JQGVKUYNERMKRH-WCBMZHEXSA-N	0	1	235.312	0.898	20	30		BCEDMN
CC1(C)C(C(=O)N[C@@H]2CNC[C@@H]2C#N)C1(C)C	ZINC000834479400	587756175	/nfs/dbraw/zinc/75/61/75/587756175.db2.gz	DJOKJFQDLNTATD-DTWKUNHWSA-N	0	1	235.331	0.896	20	30		BCEDMN
C=CCOCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834480234	587756219	/nfs/dbraw/zinc/75/62/19/587756219.db2.gz	NBSXFIACXIFOHP-GHMZBOCLSA-N	0	1	237.303	0.197	20	30		BCEDMN
CCCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1	ZINC000834481055	587756361	/nfs/dbraw/zinc/75/63/61/587756361.db2.gz	ZNKANIHVGHEIJV-VHSXEESVSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1F	ZINC000834480830	587756486	/nfs/dbraw/zinc/75/64/86/587756486.db2.gz	WWKAEYHCMDDBLG-GXSJLCMTSA-N	0	1	247.273	0.976	20	30		BCEDMN
C[C@]1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1(F)F	ZINC000834485649	587756513	/nfs/dbraw/zinc/75/65/13/587756513.db2.gz	ZTWCGJPESZPXOU-ACLDMZEESA-N	0	1	229.230	0.259	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(N)cc1	ZINC000834484720	587756641	/nfs/dbraw/zinc/75/66/41/587756641.db2.gz	MDGNCQFXWOQYPF-ONGXEEELSA-N	0	1	230.271	0.110	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)CCO1	ZINC000834485335	587756689	/nfs/dbraw/zinc/75/66/89/587756689.db2.gz	VJCICROCTXRBHY-CHWFTXMASA-N	0	1	237.303	0.029	20	30		BCEDMN
CC(Cl)(Cl)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834485321	587756786	/nfs/dbraw/zinc/75/67/86/587756786.db2.gz	VGRNSTFSWIAFBE-RITPCOANSA-N	0	1	236.102	0.408	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(N)c1	ZINC000834485130	587756842	/nfs/dbraw/zinc/75/68/42/587756842.db2.gz	SAFXOJOHLFKRFV-MWLCHTKSSA-N	0	1	230.271	0.110	20	30		BCEDMN
COCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCC1	ZINC000834499174	587757304	/nfs/dbraw/zinc/75/73/04/587757304.db2.gz	FMRYNXKJILXANK-UWVGGRQHSA-N	0	1	237.303	0.031	20	30		BCEDMN
CC[C@H](C)CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834499413	587757390	/nfs/dbraw/zinc/75/73/90/587757390.db2.gz	IEVOCAMXLRJKTP-IVZWLZJFSA-N	0	1	209.293	0.650	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)no1	ZINC000834498652	587757514	/nfs/dbraw/zinc/75/75/14/587757514.db2.gz	BHRKIFAVQBGDIX-WPRPVWTQSA-N	0	1	246.270	0.393	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834495519	587757535	/nfs/dbraw/zinc/75/75/35/587757535.db2.gz	WKNDFMDFZQZQEH-VWYCJHECSA-N	0	1	237.303	0.195	20	30		BCEDMN
Cc1ccc(F)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834495818	587757547	/nfs/dbraw/zinc/75/75/47/587757547.db2.gz	ZWOKMYNGHUGWDX-JOYOIKCWSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)no1	ZINC000834498649	587757551	/nfs/dbraw/zinc/75/75/51/587757551.db2.gz	BHRKIFAVQBGDIX-PSASIEDQSA-N	0	1	246.270	0.393	20	30		BCEDMN
CC(C)CO[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834495727	587757584	/nfs/dbraw/zinc/75/75/84/587757584.db2.gz	YRUKDZVZMZZLDI-OUAUKWLOSA-N	0	1	239.319	0.275	20	30		BCEDMN
COc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834506188	587757701	/nfs/dbraw/zinc/75/77/01/587757701.db2.gz	QKBUHYHVFXHGHZ-CMPLNLGQSA-N	0	1	245.282	0.537	20	30		BCEDMN
COc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834506189	587757753	/nfs/dbraw/zinc/75/77/53/587757753.db2.gz	QKBUHYHVFXHGHZ-JQWIXIFHSA-N	0	1	245.282	0.537	20	30		BCEDMN
C[C@@H]1CC/C(=C\C(=O)N[C@@H]2CNC[C@H]2C#N)C1	ZINC000834500542	587757818	/nfs/dbraw/zinc/75/78/18/587757818.db2.gz	UKPCOKMICOVSJD-TZRJLBGBSA-N	0	1	233.315	0.961	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccccc1N	ZINC000834505862	587757872	/nfs/dbraw/zinc/75/78/72/587757872.db2.gz	OSUFFFQOIGMRSG-ZYHUDNBSSA-N	0	1	244.298	0.039	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CCCCC1	ZINC000834505425	587757904	/nfs/dbraw/zinc/75/79/04/587757904.db2.gz	KPEJICRMELOTKQ-QWRGUYRKSA-N	0	1	221.304	0.794	20	30		BCEDMN
COc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1	ZINC000834505437	587758002	/nfs/dbraw/zinc/75/80/02/587758002.db2.gz	KUQVKUUJFVKXOG-PWSUYJOCSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1cccc(F)c1	ZINC000834506972	587758085	/nfs/dbraw/zinc/75/80/85/587758085.db2.gz	WSQUIQKAGBNUBT-ZYHUDNBSSA-N	0	1	247.273	0.596	20	30		BCEDMN
COc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834506191	587758162	/nfs/dbraw/zinc/75/81/62/587758162.db2.gz	QKBUHYHVFXHGHZ-ZYHUDNBSSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccccc1F	ZINC000834507246	587758205	/nfs/dbraw/zinc/75/82/05/587758205.db2.gz	ZAXSMUIMTHZQPC-KCJUWKMLSA-N	0	1	233.246	0.667	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccsc1	ZINC000834510840	587758242	/nfs/dbraw/zinc/75/82/42/587758242.db2.gz	FWAVOCARTSZNON-MNOVXSKESA-N	0	1	249.339	0.908	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccsc1	ZINC000834510841	587758327	/nfs/dbraw/zinc/75/83/27/587758327.db2.gz	FWAVOCARTSZNON-QWRGUYRKSA-N	0	1	249.339	0.908	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCC(C)(C)O	ZINC000834618494	587761068	/nfs/dbraw/zinc/76/10/68/587761068.db2.gz	RLBVDOMJAWKSTO-BDAKNGLRSA-N	0	1	229.276	0.396	20	30		BCEDMN
NC(=O)CON=C1CCCc2cc(N)ccc21	ZINC000834968001	587773721	/nfs/dbraw/zinc/77/37/21/587773721.db2.gz	CMLAWXFQPWZCOY-UHFFFAOYSA-N	0	1	233.271	0.811	20	30		BCEDMN
C[C@H](O)CNN=C1CCCc2nc(N)ccc21	ZINC000834982593	587775998	/nfs/dbraw/zinc/77/59/98/587775998.db2.gz	GOUVAWLOAVDTIH-QMMMGPOBSA-N	0	1	234.303	0.675	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)c1nccn1C	ZINC000836216192	587828670	/nfs/dbraw/zinc/82/86/70/587828670.db2.gz	IFNFZFCSPPMKQF-UHFFFAOYSA-N	0	1	234.303	0.105	20	30		BCEDMN
C=CCO[N-]C(=O)Cn1c[nH+]c2c1CCCC2	ZINC000837047763	587847993	/nfs/dbraw/zinc/84/79/93/587847993.db2.gz	LIJPVXSEMUUQRM-UHFFFAOYSA-N	0	1	235.287	0.996	20	30		BCEDMN
CN(C)C1CN(C(=O)C#CC(C)(C)C)C1	ZINC000837502549	587878035	/nfs/dbraw/zinc/87/80/35/587878035.db2.gz	MKWSAVUUOIMKOO-UHFFFAOYSA-N	0	1	208.305	0.808	20	30		BCEDMN
CSC[C@@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000841235373	587949508	/nfs/dbraw/zinc/94/95/08/587949508.db2.gz	YTROWIYJDWMLIR-ZXFLCMHBSA-N	0	1	243.288	0.413	20	30		BCEDMN
CN(C)c1ccc(C=NNC2=NCCN2)cc1F	ZINC000841658507	587968597	/nfs/dbraw/zinc/96/85/97/587968597.db2.gz	DRDJITOSZVGIPR-UHFFFAOYSA-N	0	1	249.293	0.774	20	30		BCEDMN
CCOc1cccc(C=NNC2=NCCN2)c1	ZINC000841658475	587968946	/nfs/dbraw/zinc/96/89/46/587968946.db2.gz	CGRYRCDUMSTOPR-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
COc1cccc(C=NNC2=NCCN2)c1F	ZINC000841659440	587969667	/nfs/dbraw/zinc/96/96/67/587969667.db2.gz	KSSVPRBJOKHRJU-UHFFFAOYSA-N	0	1	236.250	0.717	20	30		BCEDMN
Nc1ccc2c(c1)CCCC2=NNC1=NCCN1	ZINC000841659772	587969832	/nfs/dbraw/zinc/96/98/32/587969832.db2.gz	LTRMWXWVEGQSFV-UHFFFAOYSA-N	0	1	243.314	0.858	20	30		BCEDMN
CCOc1cccc(C=NNC2=NCCN2)c1O	ZINC000841662742	587970617	/nfs/dbraw/zinc/97/06/17/587970617.db2.gz	QPXXUXVQGQYYCD-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
Cn1ncnc1C=NNC1=N[C@@H]2CCCC[C@H]2N1	ZINC000842529090	588033598	/nfs/dbraw/zinc/03/35/98/588033598.db2.gz	OIXPUTCXAZEZCH-RKDXNWHRSA-N	0	1	247.306	0.009	20	30		BCEDMN
C#CCOCCc1nc(C2(N)CCCC2)no1	ZINC000842590609	588044972	/nfs/dbraw/zinc/04/49/72/588044972.db2.gz	RXABSVBCJJSHIB-UHFFFAOYSA-N	0	1	235.287	0.990	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccccc1N	ZINC000843459005	588112093	/nfs/dbraw/zinc/11/20/93/588112093.db2.gz	BGOZNTIJOGLEFG-GZMMTYOYSA-N	0	1	230.271	0.110	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccccc1N	ZINC000843459010	588112125	/nfs/dbraw/zinc/11/21/25/588112125.db2.gz	BGOZNTIJOGLEFG-LDYMZIIASA-N	0	1	230.271	0.110	20	30		BCEDMN
CCCONC(=O)Cc1noc(C)c1C#N	ZINC000844085770	588163513	/nfs/dbraw/zinc/16/35/13/588163513.db2.gz	RJHKUDLEPZZPEH-UHFFFAOYSA-N	0	1	223.232	0.855	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CC=CC1	ZINC000844194997	588173479	/nfs/dbraw/zinc/17/34/79/588173479.db2.gz	OPWQUPBVFZTAMA-VHSXEESVSA-N	0	1	205.261	0.180	20	30		BCEDMN
CCN(CC(=O)NCCC#N)[C@@H]1CCCOC1	ZINC000844404250	588190235	/nfs/dbraw/zinc/19/02/35/588190235.db2.gz	LYLBAZWVYBFLEA-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@]2(CC2(F)F)C1	ZINC000844467447	588197610	/nfs/dbraw/zinc/19/76/10/588197610.db2.gz	KXBRHUKEJWNQJE-SNVBAGLBSA-N	0	1	228.242	0.467	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)cc2F)N1	ZINC000844589941	588206093	/nfs/dbraw/zinc/20/60/93/588206093.db2.gz	LZYSSCYECAPKBX-ZETCQYMHSA-N	0	1	236.250	0.803	20	30		BCEDMN
N#CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1	ZINC000846347527	588264771	/nfs/dbraw/zinc/26/47/71/588264771.db2.gz	NTNHVZJQLZVXLL-RKDXNWHRSA-N	0	1	237.259	0.852	20	30		BCEDMN
C=C(C)CONC(=O)CCN1CCOCC1	ZINC000846539488	588269631	/nfs/dbraw/zinc/26/96/31/588269631.db2.gz	IPPGYLNHFBOUHL-UHFFFAOYSA-N	0	1	228.292	0.333	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCc1nc[nH]n1	ZINC000846545349	588273762	/nfs/dbraw/zinc/27/37/62/588273762.db2.gz	GIAAFEMRYZBAKO-ZETCQYMHSA-N	0	1	210.237	0.360	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCN1CCOCC1	ZINC000846548537	588274832	/nfs/dbraw/zinc/27/48/32/588274832.db2.gz	FQYXUXYKBHRMOZ-JTQLQIEISA-N	0	1	228.292	0.331	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC000846549577	588275057	/nfs/dbraw/zinc/27/50/57/588275057.db2.gz	ZERDTORCBHRATJ-UWVGGRQHSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H]1C[N@@H+](CC)CCO1	ZINC000846549577	588275058	/nfs/dbraw/zinc/27/50/58/588275058.db2.gz	ZERDTORCBHRATJ-UWVGGRQHSA-N	0	1	228.292	0.329	20	30		BCEDMN
CC(C#N)C(=O)N[C@H]1C(=O)OCC1(C)C	ZINC000846656985	588281190	/nfs/dbraw/zinc/28/11/90/588281190.db2.gz	RMPWDEHUMYVYAR-BQBZGAKWSA-N	0	1	210.233	0.214	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000846676335	588282008	/nfs/dbraw/zinc/28/20/08/588282008.db2.gz	CRVYPBRFPVBNRG-KXNHARMFSA-N	0	1	233.315	0.650	20	30		BCEDMN
C#CCN(CC)C[C@H]1CN(CC)C(=O)O1	ZINC000846812381	588290939	/nfs/dbraw/zinc/29/09/39/588290939.db2.gz	VJJJPNZPUWGZMW-JTQLQIEISA-N	0	1	210.277	0.782	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCOC1=O	ZINC000846993473	588300771	/nfs/dbraw/zinc/30/07/71/588300771.db2.gz	NLPCKZHFJORWDT-VIFPVBQESA-N	0	1	211.265	0.720	20	30		BCEDMN
C#C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000847021075	588302999	/nfs/dbraw/zinc/30/29/99/588302999.db2.gz	IQTZLSGJJRVCGO-MRVPVSSYSA-N	0	1	206.249	0.356	20	30		BCEDMN
C#C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000847021075	588303000	/nfs/dbraw/zinc/30/30/00/588303000.db2.gz	IQTZLSGJJRVCGO-MRVPVSSYSA-N	0	1	206.249	0.356	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NC2CC2)C1	ZINC000847024968	588303838	/nfs/dbraw/zinc/30/38/38/588303838.db2.gz	AWGCUHZGNVQBIF-JTQLQIEISA-N	0	1	206.289	0.610	20	30		BCEDMN
C[C@@H]1CC(NC(=O)CN2CC[C@H](C)C2)=NO1	ZINC000847623676	588319203	/nfs/dbraw/zinc/31/92/03/588319203.db2.gz	DPUQDXBWZSFHKZ-DTWKUNHWSA-N	0	1	225.292	0.567	20	30		BCEDMN
C[C@@H](CO)NN=C1CCCN2CCCC[C@H]12	ZINC000848406558	588378529	/nfs/dbraw/zinc/37/85/29/588378529.db2.gz	GYXSJODRYYYUIH-CMPLNLGQSA-N	0	1	225.336	0.961	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cncnc1C	ZINC000848408706	588378984	/nfs/dbraw/zinc/37/89/84/588378984.db2.gz	WSKHCGYYXJKTJK-ZETCQYMHSA-N	0	1	232.291	0.446	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cc3n(n2)CCCC3)N1	ZINC000848408764	588379178	/nfs/dbraw/zinc/37/91/78/588379178.db2.gz	ZCACPXMJQZHWNH-VIFPVBQESA-N	0	1	246.318	0.491	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cncnc1C	ZINC000848411663	588380680	/nfs/dbraw/zinc/38/06/80/588380680.db2.gz	BEQJCKDVKPJGGA-UHFFFAOYSA-N	0	1	218.264	0.058	20	30		BCEDMN
C#C[C@@H]1CCCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000848748709	588410834	/nfs/dbraw/zinc/41/08/34/588410834.db2.gz	AMAAYGFLPQUBCV-MRVPVSSYSA-N	0	1	243.270	0.908	20	30		BCEDMN
C=CCNC(=[NH2+])NCc1ncccc1[O-]	ZINC000849093059	588452809	/nfs/dbraw/zinc/45/28/09/588452809.db2.gz	HBWOOGWYELOHIS-UHFFFAOYSA-N	0	1	206.249	0.587	20	30		BCEDMN
C#CC[C@@H]1CCC[N@H+](CCOCC(=O)[O-])C1	ZINC000849344157	588473728	/nfs/dbraw/zinc/47/37/28/588473728.db2.gz	CMYDRLKHLWWHQJ-LLVKDONJSA-N	0	1	225.288	0.823	20	30		BCEDMN
Cc1nc(COC(=O)[C@@H](C)CC#N)n[nH]1	ZINC000849853487	588505366	/nfs/dbraw/zinc/50/53/66/588505366.db2.gz	YCXWLYDPQYUDNA-LURJTMIESA-N	0	1	208.221	0.706	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCCC1	ZINC000850764499	588565977	/nfs/dbraw/zinc/56/59/77/588565977.db2.gz	RCMMQNSBLACYIR-ONGXEEELSA-N	0	1	238.287	0.646	20	30		BCEDMN
CN(CC(=O)NCC#N)Cc1ccccc1O	ZINC000109772515	588592241	/nfs/dbraw/zinc/59/22/41/588592241.db2.gz	JAILJHNIGAXNKU-UHFFFAOYSA-N	0	1	233.271	0.464	20	30		BCEDMN
C#CCN(CC)CCc1nnn(C(C)(C)C)n1	ZINC000851799802	588630470	/nfs/dbraw/zinc/63/04/70/588630470.db2.gz	SAPNAIZIPWAVPR-UHFFFAOYSA-N	0	1	235.335	0.926	20	30		BCEDMN
C#CCOCCN[C@@](C)(C(N)=O)c1ccccc1	ZINC000851834870	588634039	/nfs/dbraw/zinc/63/40/39/588634039.db2.gz	XBANVTIASXAVSQ-CQSZACIVSA-N	0	1	246.310	0.627	20	30		BCEDMN
C#CCOCCN1CCC2(C1)OCCO2	ZINC000851839081	588634263	/nfs/dbraw/zinc/63/42/63/588634263.db2.gz	DGKSJBHBYCKILS-UHFFFAOYSA-N	0	1	211.261	0.085	20	30		BCEDMN
C#CCOCCN1CCOC2(CCC2)C1	ZINC000851883356	588639469	/nfs/dbraw/zinc/63/94/69/588639469.db2.gz	FREDXPUEWFQKBN-UHFFFAOYSA-N	0	1	209.289	0.891	20	30		BCEDMN
C=CCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851953739	588647336	/nfs/dbraw/zinc/64/73/36/588647336.db2.gz	FAKTUFFXQJROGN-CYBMUJFWSA-N	0	1	234.299	0.477	20	30		BCEDMN
C#CCOCCN[C@](C)(CO)c1cccc(O)c1	ZINC000852051829	588657712	/nfs/dbraw/zinc/65/77/12/588657712.db2.gz	HCBKITRNUCNYEV-CQSZACIVSA-N	0	1	249.310	0.839	20	30		BCEDMN
C#C[C@@](C)(CC)NCC(=O)Nc1cnccn1	ZINC000852104983	588663891	/nfs/dbraw/zinc/66/38/91/588663891.db2.gz	RAWOUPOUGXNOGI-LBPRGKRZSA-N	0	1	232.287	0.807	20	30		BCEDMN
C#CCOCCNC(C)(C)c1nc(C)cc(=O)[nH]1	ZINC000852145160	588667301	/nfs/dbraw/zinc/66/73/01/588667301.db2.gz	HSCATAAJIHRYOS-UHFFFAOYSA-N	0	1	249.314	0.965	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852276576	588675279	/nfs/dbraw/zinc/67/52/79/588675279.db2.gz	APNKVDWTSBMJMB-SECBINFHSA-N	0	1	220.276	0.963	20	30		BCEDMN
C#C[C@H](NC(=O)N(C)CC1CN(C)C1)C(C)C	ZINC000852304537	588677522	/nfs/dbraw/zinc/67/75/22/588677522.db2.gz	LLLMXVGXCANAAG-LBPRGKRZSA-N	0	1	237.347	0.847	20	30		BCEDMN
C=CCOCC[N@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000852442862	588682915	/nfs/dbraw/zinc/68/29/15/588682915.db2.gz	MQZNBZYXWPYPNS-NSHDSACASA-N	0	1	240.303	0.716	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CC1=CCCOC1	ZINC000852518846	588687660	/nfs/dbraw/zinc/68/76/60/588687660.db2.gz	QBIIWFMZTUAHPY-LLVKDONJSA-N	0	1	236.315	0.403	20	30		BCEDMN
C=C(Cl)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000852733573	588698528	/nfs/dbraw/zinc/69/85/28/588698528.db2.gz	RYRHBLKCYPOSOE-PSASIEDQSA-N	0	1	231.679	0.772	20	30		BCEDMN
C#CCCN(CCOC)Cc1cn[nH]c1	ZINC000852749436	588698551	/nfs/dbraw/zinc/69/85/51/588698551.db2.gz	YBLJVQKGLUFBQE-UHFFFAOYSA-N	0	1	207.277	0.881	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)s1	ZINC000852827056	588706005	/nfs/dbraw/zinc/70/60/05/588706005.db2.gz	AOKGZXSFKFQWDG-RNFRBKRXSA-N	0	1	239.275	0.729	20	30		BCEDMN
C/C(=C/C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccco1	ZINC000852827149	588706206	/nfs/dbraw/zinc/70/62/06/588706206.db2.gz	CEJBOEYEZTZSKI-DESOLJLISA-N	0	1	245.282	0.911	20	30		BCEDMN
CCC(F)(F)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852874560	588709787	/nfs/dbraw/zinc/70/97/87/588709787.db2.gz	AVJCPQIIIWDNGZ-RNFRBKRXSA-N	0	1	217.219	0.259	20	30		BCEDMN
CSC(C)(C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852875159	588710233	/nfs/dbraw/zinc/71/02/33/588710233.db2.gz	FWJHGPYDKSXASN-SFYZADRCSA-N	0	1	227.333	0.356	20	30		BCEDMN
CCC(F)(F)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852874561	588709929	/nfs/dbraw/zinc/70/99/29/588709929.db2.gz	AVJCPQIIIWDNGZ-RQJHMYQMSA-N	0	1	217.219	0.259	20	30		BCEDMN
CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852875790	588710078	/nfs/dbraw/zinc/71/00/78/588710078.db2.gz	PQYUUOLEVUNJQQ-COMAGPEQSA-N	0	1	249.314	0.029	20	30		BCEDMN
C=C(Cl)CNC(=O)NC[C@@H]1COCCN1	ZINC000861682673	589174346	/nfs/dbraw/zinc/17/43/46/589174346.db2.gz	UJQBNKFMUIPHHJ-MRVPVSSYSA-N	0	1	233.699	0.027	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C	ZINC000861837680	589180042	/nfs/dbraw/zinc/18/00/42/589180042.db2.gz	HUNKVMVEBSYLCZ-UHFFFAOYSA-N	0	1	248.330	0.263	20	30		BCEDMN
C[NH+](C)CCO[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000861857588	589180803	/nfs/dbraw/zinc/18/08/03/589180803.db2.gz	DQNYMNJHOSSXSW-UHFFFAOYSA-N	0	1	248.286	0.105	20	30		BCEDMN
CCC(=NOCC(N)=O)c1ccc(N)cc1	ZINC000863104763	589256392	/nfs/dbraw/zinc/25/63/92/589256392.db2.gz	QPDVQOSKEFDSAS-UHFFFAOYSA-N	0	1	221.260	0.885	20	30		BCEDMN
C(=NNC1=NCCN1)c1cnc(C2CC2)o1	ZINC000863120192	589260288	/nfs/dbraw/zinc/26/02/88/589260288.db2.gz	MLNXRFROUXTIFJ-UHFFFAOYSA-N	0	1	219.248	0.435	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)[C@H](C)N(C)C	ZINC000863785323	589317697	/nfs/dbraw/zinc/31/76/97/589317697.db2.gz	CSFPPHAHQRDTAE-QWRGUYRKSA-N	0	1	226.320	0.481	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1C	ZINC000863786525	589318026	/nfs/dbraw/zinc/31/80/26/589318026.db2.gz	CBOPKIJCXMAKEJ-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000863807006	589320718	/nfs/dbraw/zinc/32/07/18/589320718.db2.gz	WKLFYWSGCAGNBX-QWRGUYRKSA-N	0	1	249.314	0.743	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCN1CC[C@H](O)C1	ZINC000863833916	589322216	/nfs/dbraw/zinc/32/22/16/589322216.db2.gz	XZABMAHRMIOCBM-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C[C@H]1CC(NC(=O)C[N@@H+](C)C2CCC2)=NO1	ZINC000863901939	589324618	/nfs/dbraw/zinc/32/46/18/589324618.db2.gz	IJHVQIMEVBNIKB-QMMMGPOBSA-N	0	1	225.292	0.709	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864905016	589400598	/nfs/dbraw/zinc/40/05/98/589400598.db2.gz	UKRVBNNLVHFFDP-WPRPVWTQSA-N	0	1	236.275	0.451	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864975382	589402841	/nfs/dbraw/zinc/40/28/41/589402841.db2.gz	PMPSXJSHGZBTOW-SECBINFHSA-N	0	1	222.248	0.205	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000865164457	589412475	/nfs/dbraw/zinc/41/24/75/589412475.db2.gz	FMKWRRSXVSGBNR-VXNVDRBHSA-N	0	1	222.248	0.204	20	30		BCEDMN
CC#CCNC(=O)c1nnc2ccccc2c1O	ZINC000121688120	589526567	/nfs/dbraw/zinc/52/65/67/589526567.db2.gz	ZMHILVSZAOXZOY-UHFFFAOYSA-N	0	1	241.250	0.676	20	30		BCEDMN
C=CCN(CCC#N)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000868512538	589562026	/nfs/dbraw/zinc/56/20/26/589562026.db2.gz	UPDDGLIRFUEXAB-JTQLQIEISA-N	0	1	234.259	0.371	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@H+](CC(F)F)C1	ZINC000869252147	589594137	/nfs/dbraw/zinc/59/41/37/589594137.db2.gz	DYLXTXSZPRKUOJ-VIFPVBQESA-N	0	1	246.257	0.645	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCCN(CC(F)F)C1	ZINC000869252147	589594138	/nfs/dbraw/zinc/59/41/38/589594138.db2.gz	DYLXTXSZPRKUOJ-VIFPVBQESA-N	0	1	246.257	0.645	20	30		BCEDMN
CN(C(=O)C1=NC(=O)N(C)C1)[C@H]1CCC[C@H]1C#N	ZINC000870669993	589682076	/nfs/dbraw/zinc/68/20/76/589682076.db2.gz	HGKZZTQURXIYEG-WPRPVWTQSA-N	0	1	248.286	0.890	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2coc(C#N)c2)CCN1	ZINC000870913161	589696711	/nfs/dbraw/zinc/69/67/11/589696711.db2.gz	RMZKLBTWIPXZFS-MRVPVSSYSA-N	0	1	219.244	0.585	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)c1coc(C#N)c1	ZINC000870934112	589698077	/nfs/dbraw/zinc/69/80/77/589698077.db2.gz	FNYQMBJTKPWQLF-MRVPVSSYSA-N	0	1	219.244	0.585	20	30		BCEDMN
Cc1cnc(F)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000870941630	589699768	/nfs/dbraw/zinc/69/97/68/589699768.db2.gz	XEZWTAAHHVVUJU-SCZZXKLOSA-N	0	1	248.261	0.371	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccnn1C	ZINC000871926815	589833185	/nfs/dbraw/zinc/83/31/85/589833185.db2.gz	KZXDZQOQUZOLKQ-ZJUUUORDSA-N	0	1	236.319	0.761	20	30		BCEDMN
C=CCN1CC[C@H](N[C@H](C)c2ccnn2C)C1=O	ZINC000871925498	589833212	/nfs/dbraw/zinc/83/32/12/589833212.db2.gz	CDAITTANKLRCPY-MNOVXSKESA-N	0	1	248.330	0.858	20	30		BCEDMN
C[C@H]1C(N=Nc2cccnn2)CCN1C	ZINC000872352909	589916346	/nfs/dbraw/zinc/91/63/46/589916346.db2.gz	MCQVNLFMHTVYBD-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@H]1C(N=Nc2nccn(C)c2=O)CCN1C	ZINC000872355347	589917176	/nfs/dbraw/zinc/91/71/76/589917176.db2.gz	TWVHLXBNCPGFDP-QMMMGPOBSA-N	0	1	235.291	0.272	20	30		BCEDMN
COc1cncc(C=NNC2=NC[C@@H](C)N2)c1C	ZINC000872364545	589920334	/nfs/dbraw/zinc/92/03/34/589920334.db2.gz	NJSCQVGMWJRDMS-MRVPVSSYSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnsc2)N1	ZINC000872365028	589920857	/nfs/dbraw/zinc/92/08/57/589920857.db2.gz	ZPNKEXUZQVDHQF-ZCFIWIBFSA-N	0	1	209.278	0.414	20	30		BCEDMN
Cc1ccnc(N)c1C=NN(C)[C@H](C)CO	ZINC000872384005	589928539	/nfs/dbraw/zinc/92/85/39/589928539.db2.gz	AMGBPKBANXQXFO-SECBINFHSA-N	0	1	222.292	0.619	20	30		BCEDMN
Cc1ccnc(N)c1C=NN(C)C[C@@H](C)O	ZINC000872385638	589929090	/nfs/dbraw/zinc/92/90/90/589929090.db2.gz	KPZJJANCBGRJFS-SECBINFHSA-N	0	1	222.292	0.619	20	30		BCEDMN
Cc1cc(N=NC2CCN(C)[C@H]2C)nc(N)n1	ZINC000872421714	589938187	/nfs/dbraw/zinc/93/81/87/589938187.db2.gz	VOHSMQQVDUSERX-QMMMGPOBSA-N	0	1	234.307	0.859	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)CN(C)C)CC1	ZINC000874864604	590151059	/nfs/dbraw/zinc/15/10/59/590151059.db2.gz	MGCMNVGPMUJGJV-XYPYZODXSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1	ZINC000874865066	590151680	/nfs/dbraw/zinc/15/16/80/590151680.db2.gz	DMAIOQRQDYISNE-KYZUINATSA-N	0	1	218.260	0.727	20	30		BCEDMN
C#CCN(CC#CC)C[C@]1(OC)CCOC1	ZINC000876751145	590237803	/nfs/dbraw/zinc/23/78/03/590237803.db2.gz	YIGWAQJXESOJHQ-CYBMUJFWSA-N	0	1	221.300	0.750	20	30		BCEDMN
CCO[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C(C)C	ZINC000876801342	590243277	/nfs/dbraw/zinc/24/32/77/590243277.db2.gz	BKQPRGVRIZGHEN-MXWKQRLJSA-N	0	1	239.319	0.275	20	30		BCEDMN
CCn1ncc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1C	ZINC000876801467	590243370	/nfs/dbraw/zinc/24/33/70/590243370.db2.gz	CXFWCBFHTWAVKA-MWLCHTKSSA-N	0	1	247.302	0.053	20	30		BCEDMN
CCC(C)(C)[C@H](O)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876803220	590243662	/nfs/dbraw/zinc/24/36/62/590243662.db2.gz	VMYQDMBQHCQQQZ-LPEHRKFASA-N	0	1	239.319	0.011	20	30		BCEDMN
C[C@H](CC(=O)N[C@@H]1CNC[C@@H]1C#N)C(F)(F)F	ZINC000876803604	590243755	/nfs/dbraw/zinc/24/37/55/590243755.db2.gz	XLIYXDNWEZVVCA-GJMOJQLCSA-N	0	1	249.236	0.803	20	30		BCEDMN
CC(C)=C(C)CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876803082	590243819	/nfs/dbraw/zinc/24/38/19/590243819.db2.gz	ULTSONZVFLPYPU-MNOVXSKESA-N	0	1	221.304	0.961	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1(C(F)F)CCC1	ZINC000876802499	590243870	/nfs/dbraw/zinc/24/38/70/590243870.db2.gz	PLYDULLYGABINQ-JGVFFNPUSA-N	0	1	243.257	0.650	20	30		BCEDMN
C[C@H](CC(=O)N[C@H]1CNC[C@@H]1C#N)C(F)(F)F	ZINC000876803603	590244135	/nfs/dbraw/zinc/24/41/35/590244135.db2.gz	XLIYXDNWEZVVCA-CSMHCCOUSA-N	0	1	249.236	0.803	20	30		BCEDMN
N#CCCNC1CC(n2cc([N+](=O)[O-])cn2)C1	ZINC000877483145	590337877	/nfs/dbraw/zinc/33/78/77/590337877.db2.gz	KLFFARXKUUIJCW-UHFFFAOYSA-N	0	1	235.247	0.998	20	30		BCEDMN
C#C[C@@H](C)NCc1ccc(C(=O)OC)n1C	ZINC000877514475	590344444	/nfs/dbraw/zinc/34/44/44/590344444.db2.gz	PBMGAEYMZGFKGO-SECBINFHSA-N	0	1	220.272	0.923	20	30		BCEDMN
Cc1cc(CN2CC[C@@H](O)[C@@H](O)C2)ccc1C#N	ZINC000877749395	590412956	/nfs/dbraw/zinc/41/29/56/590412956.db2.gz	JKICQCSJIYJNJG-KGLIPLIRSA-N	0	1	246.310	0.794	20	30		BCEDMN
CC1CC(Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000877890830	590441167	/nfs/dbraw/zinc/44/11/67/590441167.db2.gz	RRPRYCXIWGZOPH-UHFFFAOYSA-N	0	1	219.244	0.454	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC[C@@H](CO)C1	ZINC000877934573	590450711	/nfs/dbraw/zinc/45/07/11/590450711.db2.gz	CRQPICAZKVGJQX-MNOVXSKESA-N	0	1	227.304	0.808	20	30		BCEDMN
C#CCCCCCN1CCO[C@H](C(N)=O)C1	ZINC000878018545	590473196	/nfs/dbraw/zinc/47/31/96/590473196.db2.gz	QFLPXQFJPRWHFO-NSHDSACASA-N	0	1	224.304	0.366	20	30		BCEDMN
C#CCCN1CCN(CCc2cnccn2)CC1	ZINC000878311860	590541032	/nfs/dbraw/zinc/54/10/32/590541032.db2.gz	BZBKQINGZAIFSW-UHFFFAOYSA-N	0	1	244.342	0.660	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC[C@](C)(O)C1	ZINC000878328258	590547861	/nfs/dbraw/zinc/54/78/61/590547861.db2.gz	FZXCTFFXQHDNSX-JQWIXIFHSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@H](C)N1CCN(C(=O)[C@H](C)O)CC1	ZINC000878331576	590548442	/nfs/dbraw/zinc/54/84/42/590548442.db2.gz	WCYDBZZXEONRBS-QWRGUYRKSA-N	0	1	226.320	0.476	20	30		BCEDMN
C#C[C@@H](NCCN(C#N)CC)[C@H]1CCCO1	ZINC000878454186	590570881	/nfs/dbraw/zinc/57/08/81/590570881.db2.gz	VBVPNBSQMRJKKZ-VXGBXAGGSA-N	0	1	221.304	0.560	20	30		BCEDMN
C#C[C@@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21	ZINC000878517520	590585645	/nfs/dbraw/zinc/58/56/45/590585645.db2.gz	SLJAGWOJZNLQGM-NXEZZACHSA-N	0	1	204.277	0.719	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](O)C(C)(C)C1	ZINC000878532176	590587396	/nfs/dbraw/zinc/58/73/96/590587396.db2.gz	QATLYPYCVUKLDV-ZJUUUORDSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(CCO)CC1CC1	ZINC000878602213	590595254	/nfs/dbraw/zinc/59/52/54/590595254.db2.gz	SOTIZYODXCUCFG-LLVKDONJSA-N	0	1	227.304	0.808	20	30		BCEDMN
C#CCNC(=O)CN1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1	ZINC000878838768	590629641	/nfs/dbraw/zinc/62/96/41/590629641.db2.gz	FSADBTKDMNWSTK-TXEJJXNPSA-N	0	1	237.347	0.150	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)Cc1cnc[nH]1	ZINC000878884453	590639853	/nfs/dbraw/zinc/63/98/53/590639853.db2.gz	DFPJMEMMQXIOGP-JTQLQIEISA-N	0	1	223.276	0.959	20	30		BCEDMN
C#CCN(Cc1n[nH]c(C)n1)C1CSC1	ZINC000878910787	590646550	/nfs/dbraw/zinc/64/65/50/590646550.db2.gz	UULGVDQZKHRIHI-UHFFFAOYSA-N	0	1	222.317	0.664	20	30		BCEDMN
C#CCN(CCc1c[nH]nn1)C1CSC1	ZINC000878910695	590647812	/nfs/dbraw/zinc/64/78/12/590647812.db2.gz	QYMFFXRKRBTGLX-UHFFFAOYSA-N	0	1	222.317	0.398	20	30		BCEDMN
C#CC[N@H+]1CCC[C@@H](n2ccnn2)CC1	ZINC000878940542	590656398	/nfs/dbraw/zinc/65/63/98/590656398.db2.gz	LQTQRTCKMRPLEX-LLVKDONJSA-N	0	1	204.277	0.938	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@H](CNC(=O)NC)C1	ZINC000879034094	590683162	/nfs/dbraw/zinc/68/31/62/590683162.db2.gz	WHGUZRZDQBHYCP-GHMZBOCLSA-N	0	1	241.335	0.581	20	30		BCEDMN
C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#N	ZINC000879173292	590707625	/nfs/dbraw/zinc/70/76/25/590707625.db2.gz	ISDDRTJIPSCQKI-GMSGAONNSA-N	0	1	218.260	0.715	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cnn(C)c1	ZINC000879190722	590711764	/nfs/dbraw/zinc/71/17/64/590711764.db2.gz	RLOMEXHBVGDELM-LBPRGKRZSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCCN1CC[C@]2(CC(C(=O)OC)=NO2)C1	ZINC000879484683	590780121	/nfs/dbraw/zinc/78/01/21/590780121.db2.gz	WTOVCQIXAGVGEL-LBPRGKRZSA-N	0	1	236.271	0.404	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)CC(C)(C)C1	ZINC000879618397	590832077	/nfs/dbraw/zinc/83/20/77/590832077.db2.gz	XTOUNFISFHLURN-MNOVXSKESA-N	0	1	240.347	0.770	20	30		BCEDMN
COCC#CCN1C[C@H](O)CC(C)(C)C1	ZINC000879622159	590836736	/nfs/dbraw/zinc/83/67/36/590836736.db2.gz	IDHVFCNTPNJTTD-LLVKDONJSA-N	0	1	211.305	0.729	20	30		BCEDMN
C=CCCN1CCC[C@@H]2OCCNC(=O)[C@H]21	ZINC000879720160	590855792	/nfs/dbraw/zinc/85/57/92/590855792.db2.gz	WYAMJHDZSYBYSR-QWRGUYRKSA-N	0	1	224.304	0.542	20	30		BCEDMN
C#CCNC(=O)CN[C@H]1CCCn2nccc21	ZINC000879786243	590869843	/nfs/dbraw/zinc/86/98/43/590869843.db2.gz	OQUBKQNPSYUZHL-JTQLQIEISA-N	0	1	232.287	0.057	20	30		BCEDMN
C=CCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000879931494	590891116	/nfs/dbraw/zinc/89/11/16/590891116.db2.gz	LNLMDFIIMVLTTD-QWRGUYRKSA-N	0	1	229.345	0.929	20	30		BCEDMN
C#CCONC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C	ZINC000880079684	590920617	/nfs/dbraw/zinc/92/06/17/590920617.db2.gz	SMSGLWNVUCXBGJ-GZMMTYOYSA-N	0	1	233.271	0.757	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(F)CC1	ZINC000880243406	590976979	/nfs/dbraw/zinc/97/69/79/590976979.db2.gz	HQWFOXBGHMJQAB-VIFPVBQESA-N	0	1	212.268	0.558	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H](CF)C1	ZINC000880289354	590984361	/nfs/dbraw/zinc/98/43/61/590984361.db2.gz	LGLFUZVULHPFEL-VIFPVBQESA-N	0	1	243.282	0.290	20	30		BCEDMN
C#CCC1(O)CCN(CC2OCCO2)CC1	ZINC000880481711	591055800	/nfs/dbraw/zinc/05/58/00/591055800.db2.gz	ZBKGPDKOJUTIDQ-UHFFFAOYSA-N	0	1	225.288	0.210	20	30		BCEDMN
CC(C)C[C@@H](C(N)=O)N(C)CCOCCC#N	ZINC000880592625	591102703	/nfs/dbraw/zinc/10/27/03/591102703.db2.gz	YQVAKWGWLSVECD-NSHDSACASA-N	0	1	241.335	0.748	20	30		BCEDMN
CCN1[C@H](C)CN(C(=O)C=NOC)C[C@@H]1C	ZINC000880610278	591109380	/nfs/dbraw/zinc/10/93/80/591109380.db2.gz	MBWQWRJPODTHQS-AOOOYVTPSA-N	0	1	227.308	0.560	20	30		BCEDMN
C[C@H](C#N)OCCn1cc(CNC2CC2)nn1	ZINC000881323702	591191212	/nfs/dbraw/zinc/19/12/12/591191212.db2.gz	OFMYBCUVSGUTJF-SECBINFHSA-N	0	1	235.291	0.459	20	30		BCEDMN
C[C@@H](C#N)OCCn1cc(CNC2CC2)nn1	ZINC000881323703	591191249	/nfs/dbraw/zinc/19/12/49/591191249.db2.gz	OFMYBCUVSGUTJF-VIFPVBQESA-N	0	1	235.291	0.459	20	30		BCEDMN
C#CCOCCC(=O)NC[C@H]1CCN1CC	ZINC000882490072	591367083	/nfs/dbraw/zinc/36/70/83/591367083.db2.gz	YAQZEBGNHPDPSN-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN1CC	ZINC000882492680	591373094	/nfs/dbraw/zinc/37/30/94/591373094.db2.gz	BSYSXXJDCVCXSG-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC1(NS(=O)(=O)c2ncc[nH]2)CCCC1	ZINC000882775527	591435397	/nfs/dbraw/zinc/43/53/97/591435397.db2.gz	JCMTVCBLTFPDQB-UHFFFAOYSA-N	0	1	239.300	0.634	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CN(CC)C1CC1	ZINC000882896987	591469275	/nfs/dbraw/zinc/46/92/75/591469275.db2.gz	XLPZQLJVTIRIQI-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc(CC)nc1	ZINC000883125424	591544187	/nfs/dbraw/zinc/54/41/87/591544187.db2.gz	ITQSAHMXTRRTHX-LLVKDONJSA-N	0	1	219.288	0.513	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc([C@@H](C)O)s1	ZINC000883125071	591544507	/nfs/dbraw/zinc/54/45/07/591544507.db2.gz	YFLNEGLGSADEFD-BDAKNGLRSA-N	0	1	240.328	0.670	20	30		BCEDMN
C#CC1(F)CN(C(=O)N[C@H]2CCCN(C)C2)C1	ZINC000883178310	591564148	/nfs/dbraw/zinc/56/41/48/591564148.db2.gz	UKDGKOSEMTZEKC-JTQLQIEISA-N	0	1	239.294	0.447	20	30		BCEDMN
C=CCC[C@@H](C)NCc1nnc2n1CCNC2=O	ZINC000883304086	591610471	/nfs/dbraw/zinc/61/04/71/591610471.db2.gz	NEIAIZBNBWDIIG-SECBINFHSA-N	0	1	249.318	0.466	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1nccnc1OC	ZINC000883400855	591648954	/nfs/dbraw/zinc/64/89/54/591648954.db2.gz	WULBXQBPEFCDFC-SNVBAGLBSA-N	0	1	237.303	0.902	20	30		BCEDMN
C#CCCCNC(=O)NC[C@@H]1CC[N@@H+]1CC	ZINC000883476023	591678071	/nfs/dbraw/zinc/67/80/71/591678071.db2.gz	ZZSQTRUIQOOMMB-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C#CCCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883476023	591678074	/nfs/dbraw/zinc/67/80/74/591678074.db2.gz	ZZSQTRUIQOOMMB-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1CC	ZINC000883508066	591684790	/nfs/dbraw/zinc/68/47/90/591684790.db2.gz	OSGRBAOOTDFEPG-NXEZZACHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@H]1CCN1CC	ZINC000883508066	591684792	/nfs/dbraw/zinc/68/47/92/591684792.db2.gz	OSGRBAOOTDFEPG-NXEZZACHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1CC	ZINC000883508067	591685319	/nfs/dbraw/zinc/68/53/19/591685319.db2.gz	OSGRBAOOTDFEPG-UWVGGRQHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@H](C)NC(=O)NC[C@@H]1CCN1CC	ZINC000883508067	591685323	/nfs/dbraw/zinc/68/53/23/591685323.db2.gz	OSGRBAOOTDFEPG-UWVGGRQHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NC[C@@H]1CCN1CC	ZINC000883763854	591736871	/nfs/dbraw/zinc/73/68/71/591736871.db2.gz	KOOLSKDUURRWJX-UWVGGRQHSA-N	0	1	227.308	0.886	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000884018591	591801359	/nfs/dbraw/zinc/80/13/59/591801359.db2.gz	YOGHMTUABJPEDR-QMMMGPOBSA-N	0	1	218.260	0.320	20	30		BCEDMN
COC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCCC1	ZINC000884250959	591884124	/nfs/dbraw/zinc/88/41/24/591884124.db2.gz	SJKDQRJNHBRUGW-ZJUUUORDSA-N	0	1	237.303	0.173	20	30		BCEDMN
CC(C)[C@H]1CNCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000884430253	591931658	/nfs/dbraw/zinc/93/16/58/591931658.db2.gz	JVXWPSZSEYYZDW-GFCCVEGCSA-N	0	1	246.314	0.956	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCc3cccnc32)N1	ZINC000884447604	591937598	/nfs/dbraw/zinc/93/75/98/591937598.db2.gz	DHWHHSUGBWEKQL-QMMMGPOBSA-N	0	1	229.287	0.669	20	30		BCEDMN
Cc1coc(C=NNC2=NC[C@H](C)N2)c1	ZINC000884447734	591937695	/nfs/dbraw/zinc/93/76/95/591937695.db2.gz	HQFWBNBROSXQSE-QMMMGPOBSA-N	0	1	206.249	0.859	20	30		BCEDMN
Cc1coc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000884447733	591937784	/nfs/dbraw/zinc/93/77/84/591937784.db2.gz	HQFWBNBROSXQSE-MRVPVSSYSA-N	0	1	206.249	0.859	20	30		BCEDMN
C=CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC	ZINC000884550591	591976343	/nfs/dbraw/zinc/97/63/43/591976343.db2.gz	GWDUJEOUOBZSPD-BWZBUEFSSA-N	0	1	243.215	0.313	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CC(=O)CC[C@@H]1C	ZINC000885083862	592049478	/nfs/dbraw/zinc/04/94/78/592049478.db2.gz	XNEQDYXEQUUNGW-JTQLQIEISA-N	0	1	224.304	0.684	20	30		BCEDMN
C[N@@H+](CCO)C[C@H](O)CC1(C#N)CCC1	ZINC000885948777	592111261	/nfs/dbraw/zinc/11/12/61/592111261.db2.gz	FGJROWWFHBUNII-SNVBAGLBSA-N	0	1	212.293	0.355	20	30		BCEDMN
C#C[C@H](NC[C@@](C)(O)C(F)F)[C@@H]1CCCO1	ZINC000886143268	592162251	/nfs/dbraw/zinc/16/22/51/592162251.db2.gz	YDHACPPNWIAIFM-ATZCPNFKSA-N	0	1	233.258	0.773	20	30		BCEDMN
C#C[C@H](NC[C@@](C)(O)C(F)F)[C@H]1CCCO1	ZINC000886143269	592162520	/nfs/dbraw/zinc/16/25/20/592162520.db2.gz	YDHACPPNWIAIFM-IQJOONFLSA-N	0	1	233.258	0.773	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2ncnn2CC)C1	ZINC000886209960	592176608	/nfs/dbraw/zinc/17/66/08/592176608.db2.gz	ZJZAWFAIMMCAAG-LBPRGKRZSA-N	0	1	247.346	0.485	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2nc(C)c[nH]2)C1	ZINC000886209896	592176771	/nfs/dbraw/zinc/17/67/71/592176771.db2.gz	YECGBTVIYZMQER-GFCCVEGCSA-N	0	1	232.331	0.905	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2ncnn2C)C1	ZINC000886209365	592176815	/nfs/dbraw/zinc/17/68/15/592176815.db2.gz	KVVOTBKFQXFRGK-LLVKDONJSA-N	0	1	233.319	0.002	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2ccn(C)n2)C1	ZINC000886213739	592178162	/nfs/dbraw/zinc/17/81/62/592178162.db2.gz	ZPCVJZASNLBREI-ZDUSSCGKSA-N	0	1	232.331	0.607	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)CN1C[C@@H]2C[C@@H]2C1	ZINC000886332340	592211048	/nfs/dbraw/zinc/21/10/48/592211048.db2.gz	RYUISTNZMRCDTF-TXEJJXNPSA-N	0	1	246.314	0.594	20	30		BCEDMN
C=CCC1(O)CCN(CC2OCCO2)CC1	ZINC000886776684	592319826	/nfs/dbraw/zinc/31/98/26/592319826.db2.gz	MQCNQJLSNPUANI-UHFFFAOYSA-N	0	1	227.304	0.762	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](C)[C@@H](OC)C1	ZINC000221132952	592397439	/nfs/dbraw/zinc/39/74/39/592397439.db2.gz	PZFOKVAGJNKYQB-QWRGUYRKSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](C)[C@@H](OC)C1	ZINC000221132899	592398170	/nfs/dbraw/zinc/39/81/70/592398170.db2.gz	PZFOKVAGJNKYQB-MNOVXSKESA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CC[C@H](CF)C2)C1=O	ZINC000887302845	592479055	/nfs/dbraw/zinc/47/90/55/592479055.db2.gz	DISZABARFMDRLO-NXEZZACHSA-N	0	1	238.262	0.039	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](OC)C[C@H]1C	ZINC000300934319	592525640	/nfs/dbraw/zinc/52/56/40/592525640.db2.gz	RJOKVUREYIBADG-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
CCc1cc(C(=O)N2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000887670911	592538779	/nfs/dbraw/zinc/53/87/79/592538779.db2.gz	JLUMDVCXDGXQCV-GFCCVEGCSA-N	0	1	248.286	0.727	20	30		BCEDMN
C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)N(C)C	ZINC000887678493	592540587	/nfs/dbraw/zinc/54/05/87/592540587.db2.gz	CVWHDGCXUVAJDU-ONGXEEELSA-N	0	1	225.292	0.078	20	30		BCEDMN
C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)N(C)C	ZINC000887692032	592542965	/nfs/dbraw/zinc/54/29/65/592542965.db2.gz	CVWHDGCXUVAJDU-MWLCHTKSSA-N	0	1	225.292	0.078	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)N(C)C[C@@H](C)C#N	ZINC000890073593	592676661	/nfs/dbraw/zinc/67/66/61/592676661.db2.gz	QSQKCEHYSDFNOT-WDEREUQCSA-N	0	1	238.335	0.882	20	30		BCEDMN
C[N@@H+](CCOc1cccc(C#N)c1)CC(=O)[O-]	ZINC000739701022	596903980	/nfs/dbraw/zinc/90/39/80/596903980.db2.gz	ZWVUEHMCHBHKBL-UHFFFAOYSA-N	0	1	234.255	0.953	20	30		BCEDMN
C=CCCC[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000736102517	600262690	/nfs/dbraw/zinc/26/26/90/600262690.db2.gz	MHYUXJJYTLZCKN-UHFFFAOYSA-N	0	1	242.319	0.818	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000226915734	601911971	/nfs/dbraw/zinc/91/19/71/601911971.db2.gz	OQNJMOJVHDNBMF-CABZTGNLSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=C(C)C[N@@H+](C)CCN1CCN(C(=O)[O-])CC1	ZINC000738471510	602874960	/nfs/dbraw/zinc/87/49/60/602874960.db2.gz	UAUXXTUQZYYYBP-UHFFFAOYSA-N	0	1	241.335	0.790	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H](CNC(=O)[O-])C1	ZINC000738503558	603328052	/nfs/dbraw/zinc/32/80/52/603328052.db2.gz	RYEBFDDMOWEYPW-SNVBAGLBSA-N	0	1	210.277	0.989	20	30		BCEDMN
C=C(CC)CNC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000909387765	634590257	/nfs/dbraw/zinc/59/02/57/634590257.db2.gz	PMBPGPJRJBYEDZ-JQWIXIFHSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CC(C)(C)C(=O)N1CCCN(CCO)CC1	ZINC000981754531	635391727	/nfs/dbraw/zinc/39/17/27/635391727.db2.gz	IGUIBPLKMBTUEB-UHFFFAOYSA-N	0	1	240.347	0.725	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ncoc2C)C1	ZINC001010349543	635391262	/nfs/dbraw/zinc/39/12/62/635391262.db2.gz	NDROPVNBMOCNOM-NSHDSACASA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cccnn1	ZINC001028221483	635502216	/nfs/dbraw/zinc/50/22/16/635502216.db2.gz	KPUKYLQCNMBJNV-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1	ZINC001010410387	635593772	/nfs/dbraw/zinc/59/37/72/635593772.db2.gz	VORQPKKZJQPLIJ-NWDGAFQWSA-N	0	1	236.315	0.237	20	30		BCEDMN
CCc1nc(CN2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000933606382	631457218	/nfs/dbraw/zinc/45/72/18/631457218.db2.gz	XSPSZVWLJSUHMG-NSHDSACASA-N	0	1	235.291	0.482	20	30		BCEDMN
N#CCCOCCN1CCC[C@@H]1C1OCCO1	ZINC000933899653	631547029	/nfs/dbraw/zinc/54/70/29/631547029.db2.gz	FGLREPXXNMQOJI-LLVKDONJSA-N	0	1	240.303	0.754	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1	ZINC000176098121	631565055	/nfs/dbraw/zinc/56/50/55/631565055.db2.gz	OZRVLAREHWCMRS-HRDYMLBCSA-N	0	1	206.245	0.487	20	30		BCEDMN
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H]2CO)CC1	ZINC000934014171	631595216	/nfs/dbraw/zinc/59/52/16/631595216.db2.gz	ZKGPUCLLPNWRSE-NXEZZACHSA-N	0	1	210.277	0.108	20	30		BCEDMN
N#Cc1ccc([C@H](O)CN2CC[C@@H]2CO)cc1	ZINC000934024748	631599500	/nfs/dbraw/zinc/59/95/00/631599500.db2.gz	GKBCVDGKLDAYMB-CHWSQXEVSA-N	0	1	232.283	0.658	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CC[C@H]1OC	ZINC000934129845	631706383	/nfs/dbraw/zinc/70/63/83/631706383.db2.gz	WJCMYOZZURKJSZ-NXEZZACHSA-N	0	1	212.293	0.398	20	30		BCEDMN
CCOCC(=O)C(C#N)C(=O)NC1CCCC1	ZINC000119705576	631738224	/nfs/dbraw/zinc/73/82/24/631738224.db2.gz	LCSMFCVESDCZPC-JTQLQIEISA-N	0	1	238.287	0.791	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1	ZINC000972052949	631747989	/nfs/dbraw/zinc/74/79/89/631747989.db2.gz	OAZVLAPMENYXRD-LLVKDONJSA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)CC)C1	ZINC000972091824	631764720	/nfs/dbraw/zinc/76/47/20/631764720.db2.gz	ZPGZNGHUFXYUFK-MNOVXSKESA-N	0	1	226.295	0.900	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H](F)CC)C1	ZINC000972091826	631765633	/nfs/dbraw/zinc/76/56/33/631765633.db2.gz	ZPGZNGHUFXYUFK-WDEREUQCSA-N	0	1	226.295	0.900	20	30		BCEDMN
C#CC1(O)CN([C@@H](C)c2n[nH]c(CC)n2)C1	ZINC000934450641	631841489	/nfs/dbraw/zinc/84/14/89/631841489.db2.gz	MLHFMDYOWUFZGZ-QMMMGPOBSA-N	0	1	220.276	0.108	20	30		BCEDMN
C=CCN(C(C)C)S(=O)(=O)c1ncc[nH]1	ZINC000309100702	631883496	/nfs/dbraw/zinc/88/34/96/631883496.db2.gz	FOLSUCHMFMTKBE-UHFFFAOYSA-N	0	1	229.305	0.995	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCCS(N)(=O)=O	ZINC000934512176	631894636	/nfs/dbraw/zinc/89/46/36/631894636.db2.gz	FKJKGHLUPYBZBW-SNVBAGLBSA-N	0	1	230.333	0.153	20	30		BCEDMN
CC[C@H](NN=C1C[N@H+](C)C[C@H]1C)C(=O)[O-]	ZINC000308834896	631895466	/nfs/dbraw/zinc/89/54/66/631895466.db2.gz	HSQBEOZUGMIZMM-SFYZADRCSA-N	0	1	213.281	0.377	20	30		BCEDMN
CC[C@H](NN=C1C[N@@H+](C)C[C@H]1C)C(=O)[O-]	ZINC000308834896	631895470	/nfs/dbraw/zinc/89/54/70/631895470.db2.gz	HSQBEOZUGMIZMM-SFYZADRCSA-N	0	1	213.281	0.377	20	30		BCEDMN
C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000124673508	632097742	/nfs/dbraw/zinc/09/77/42/632097742.db2.gz	HFJJTJNTMPNTPD-KXUCPTDWSA-N	0	1	220.272	0.974	20	30		BCEDMN
N#CCCNC(=O)CN1CCCCC[C@H]1CO	ZINC000157010571	632411302	/nfs/dbraw/zinc/41/13/02/632411302.db2.gz	YVBVMQFGBPBMMB-NSHDSACASA-N	0	1	239.319	0.253	20	30		BCEDMN
CC(C)SCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000309507678	632434625	/nfs/dbraw/zinc/43/46/25/632434625.db2.gz	NWQFYVSNGPLBSN-DTWKUNHWSA-N	0	1	227.333	0.356	20	30		BCEDMN
C=CCN(CC(=O)OCC)Cc1cnc[nH]1	ZINC000091773397	632443155	/nfs/dbraw/zinc/44/31/55/632443155.db2.gz	TVSYFXXVULVVGM-UHFFFAOYSA-N	0	1	223.276	0.961	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2nccs2)C1	ZINC000972600503	632514186	/nfs/dbraw/zinc/51/41/86/632514186.db2.gz	BWRHPRCCRAQJSJ-JTQLQIEISA-N	0	1	249.339	0.923	20	30		BCEDMN
C#CCN1CCC[C@H](CNC(=O)c2cnon2)C1	ZINC001023661768	632555977	/nfs/dbraw/zinc/55/59/77/632555977.db2.gz	CSPYVICYHKBDOT-SNVBAGLBSA-N	0	1	248.286	0.145	20	30		BCEDMN
C#CCN1CCC[C@@H](CNC(=O)c2cnon2)C1	ZINC001023661765	632556657	/nfs/dbraw/zinc/55/66/57/632556657.db2.gz	CSPYVICYHKBDOT-JTQLQIEISA-N	0	1	248.286	0.145	20	30		BCEDMN
N#C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1	ZINC000928231796	635838603	/nfs/dbraw/zinc/83/86/03/635838603.db2.gz	NFYKJFXEPZJHEV-VIFPVBQESA-N	0	1	218.260	0.714	20	30		BCEDMN
C#CCOCCN(CCC)CC(=O)NCCC	ZINC000851730804	633172783	/nfs/dbraw/zinc/17/27/83/633172783.db2.gz	GRNVCLLZWZAESE-UHFFFAOYSA-N	0	1	240.347	0.874	20	30		BCEDMN
CS/C=C/C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000306501348	635967896	/nfs/dbraw/zinc/96/78/96/635967896.db2.gz	CIHQQVBHASLNHH-YEMZYZDBSA-N	0	1	211.290	0.091	20	30		BCEDMN
CON(C)C(=O)CNCc1ccc(C#N)c(C)c1	ZINC000895042328	636019301	/nfs/dbraw/zinc/01/93/01/636019301.db2.gz	FPXVVAPWMYDVGK-UHFFFAOYSA-N	0	1	247.298	0.976	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1C	ZINC000928557964	636097473	/nfs/dbraw/zinc/09/74/73/636097473.db2.gz	VSURWDPRSGTVOT-KOLCDFICSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C	ZINC000909515065	636135683	/nfs/dbraw/zinc/13/56/83/636135683.db2.gz	OMDYRAUFWGBARF-VIFPVBQESA-N	0	1	226.276	0.180	20	30		BCEDMN
C[C@@H](C#N)OCCN(C)Cc1cnc[nH]1	ZINC000852287117	633737173	/nfs/dbraw/zinc/73/71/73/633737173.db2.gz	ABIZNOLBFRQSPA-VIFPVBQESA-N	0	1	208.265	0.770	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C	ZINC001025665053	633740480	/nfs/dbraw/zinc/74/04/80/633740480.db2.gz	ZFILAJRWJKSJFL-OBPIAQAESA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1OCC	ZINC001025689071	633746046	/nfs/dbraw/zinc/74/60/46/633746046.db2.gz	LONPRKXBLOEZRY-KIJLLGNVSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)C1	ZINC001025731667	633755104	/nfs/dbraw/zinc/75/51/04/633755104.db2.gz	VQWTXAKOVPMIFS-NGEZQELSSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)CO1	ZINC001025906416	633818235	/nfs/dbraw/zinc/81/82/35/633818235.db2.gz	NGOUGVGQAKGQTI-KIJLLGNVSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H]1C	ZINC001026123082	633852152	/nfs/dbraw/zinc/85/21/52/633852152.db2.gz	BXQSHNRGEVVLRW-FHUSYTEZSA-N	0	1	248.326	0.091	20	30		BCEDMN
CC1(C)C[C@@H]1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000309503687	633937536	/nfs/dbraw/zinc/93/75/36/633937536.db2.gz	MJAZGLPRDXQYGZ-IWSPIJDZSA-N	0	1	207.277	0.260	20	30		BCEDMN
CC1(C)C[C@@H]1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000309503688	633937988	/nfs/dbraw/zinc/93/79/88/633937988.db2.gz	MJAZGLPRDXQYGZ-YIZRAAEISA-N	0	1	207.277	0.260	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cn2cccnc2n1	ZINC000895490146	636151179	/nfs/dbraw/zinc/15/11/79/636151179.db2.gz	NBWRRVHVXOUXBV-JTQLQIEISA-N	0	1	230.271	0.203	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cccc(C#N)n1	ZINC000895490143	636151851	/nfs/dbraw/zinc/15/18/51/636151851.db2.gz	MXXAMDWZYAKJKX-LBPRGKRZSA-N	0	1	215.256	0.427	20	30		BCEDMN
COC/C(C)=C/CN1CC[C@@](O)(CC#N)C1	ZINC000930818740	634115200	/nfs/dbraw/zinc/11/52/00/634115200.db2.gz	MXJKUAFLWGFTDI-JPOQUURFSA-N	0	1	224.304	0.930	20	30		BCEDMN
COC/C(C)=C\CN1CC[C@](O)(CC#N)C1	ZINC000930818739	634115124	/nfs/dbraw/zinc/11/51/24/634115124.db2.gz	MXJKUAFLWGFTDI-CTPBAPBTSA-N	0	1	224.304	0.930	20	30		BCEDMN
COC/C(C)=C\CN1CC[C@@](O)(CC#N)C1	ZINC000930818741	634116561	/nfs/dbraw/zinc/11/65/61/634116561.db2.gz	MXJKUAFLWGFTDI-LCKPPEIMSA-N	0	1	224.304	0.930	20	30		BCEDMN
C#CCCCNC(=O)NCc1n[nH]c(C)n1	ZINC000893303474	634119400	/nfs/dbraw/zinc/11/94/00/634119400.db2.gz	PUSWBEOFSPFOQN-UHFFFAOYSA-N	0	1	221.264	0.326	20	30		BCEDMN
CO[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000120272044	634184269	/nfs/dbraw/zinc/18/42/69/634184269.db2.gz	SDQBVAOTWHMWOI-JGVFFNPUSA-N	0	1	212.249	0.255	20	30		BCEDMN
N#CCc1cccc2c1CCN(C[C@H](O)CO)C2	ZINC000931332369	634354123	/nfs/dbraw/zinc/35/41/23/634354123.db2.gz	DTWGHQFLLVFSPN-ZDUSSCGKSA-N	0	1	246.310	0.464	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cnccn1	ZINC001027731222	635128261	/nfs/dbraw/zinc/12/82/61/635128261.db2.gz	HQRXQNGEJKOTNN-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCO1	ZINC001027735956	635130537	/nfs/dbraw/zinc/13/05/37/635130537.db2.gz	BOGWTULXTSWSRM-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCO1	ZINC001027737596	635130799	/nfs/dbraw/zinc/13/07/99/635130799.db2.gz	RZDLPKQINAGLSL-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cccn1C	ZINC001027760175	635138309	/nfs/dbraw/zinc/13/83/09/635138309.db2.gz	SJHSQCDCPVBUNE-GFCCVEGCSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1	ZINC001027782139	635147448	/nfs/dbraw/zinc/14/74/48/635147448.db2.gz	QBMCVWSXTQXVBV-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
COc1cc(F)cc(C=NNC2=NCCN2)c1	ZINC000841659804	635164226	/nfs/dbraw/zinc/16/42/26/635164226.db2.gz	MJPOKASXROXRFB-UHFFFAOYSA-N	0	1	236.250	0.717	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cncnc1	ZINC001027838535	635168386	/nfs/dbraw/zinc/16/83/86/635168386.db2.gz	COTPTRZGFTVBRL-LBPRGKRZSA-N	0	1	246.314	0.857	20	30		BCEDMN
COc1cc(C=NNC2=NCCN2)ccc1C	ZINC000841660833	635175346	/nfs/dbraw/zinc/17/53/46/635175346.db2.gz	JYCODXQOPXGZJX-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ncn(C)n1	ZINC001027866056	635182561	/nfs/dbraw/zinc/18/25/61/635182561.db2.gz	VDBHQBDGITWFLZ-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C[C@@H](O)[C@H](C)NCc1nc(C#N)cs1	ZINC000336670161	635199466	/nfs/dbraw/zinc/19/94/66/635199466.db2.gz	YKHAKWCRCVFTDT-NKWVEPMBSA-N	0	1	211.290	0.874	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnn(C)c2)C1	ZINC001010112007	635200729	/nfs/dbraw/zinc/20/07/29/635200729.db2.gz	ARRACNLSDWBCQW-NSHDSACASA-N	0	1	234.303	0.410	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1	ZINC000980559375	635236493	/nfs/dbraw/zinc/23/64/93/635236493.db2.gz	WFKZPUJJTHOHLD-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC000980538330	635237160	/nfs/dbraw/zinc/23/71/60/635237160.db2.gz	FDKILFMKEJCDSU-LBPRGKRZSA-N	0	1	246.314	0.049	20	30		BCEDMN
C#CCCN1CCCN(C(=O)CSC)CC1	ZINC000980674515	635256032	/nfs/dbraw/zinc/25/60/32/635256032.db2.gz	AFUSNNOEDBOIRP-UHFFFAOYSA-N	0	1	240.372	0.907	20	30		BCEDMN
C#CCSCC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000895874005	636179743	/nfs/dbraw/zinc/17/97/43/636179743.db2.gz	DIVJEQUOJNJWGO-JTQLQIEISA-N	0	1	238.356	0.706	20	30		BCEDMN
C#CCN(CC)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000896844340	636230423	/nfs/dbraw/zinc/23/04/23/636230423.db2.gz	KYSSADPAKMUKJI-GFCCVEGCSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2=CCOCC2)CC1	ZINC000928654346	636271325	/nfs/dbraw/zinc/27/13/25/636271325.db2.gz	XTVDSZCHTJZCFA-UHFFFAOYSA-N	0	1	248.326	0.547	20	30		BCEDMN
Cc1ccnc(N)c1C=NNC[C@H](C)O	ZINC000872378005	636583821	/nfs/dbraw/zinc/58/38/21/636583821.db2.gz	QWINMAGRNHUNJD-QMMMGPOBSA-N	0	1	208.265	0.277	20	30		BCEDMN
C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccn[nH]1	ZINC000988167554	636681957	/nfs/dbraw/zinc/68/19/57/636681957.db2.gz	SKTUYPMUBSYGGH-RKDXNWHRSA-N	0	1	233.275	0.126	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@@H](NCC#N)C[C@@H]2C)n[nH]1	ZINC000988251710	636684124	/nfs/dbraw/zinc/68/41/24/636684124.db2.gz	WNUMVDPTLMUROT-UWVGGRQHSA-N	0	1	247.302	0.434	20	30		BCEDMN
C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cc1ccn[nH]1	ZINC000988437531	636711598	/nfs/dbraw/zinc/71/15/98/636711598.db2.gz	MDZCGSZGSFZSNH-GXSJLCMTSA-N	0	1	247.302	0.055	20	30		BCEDMN
N#CCN(C(=O)Cc1c[nH]cn1)C1CC1	ZINC000900360182	637184132	/nfs/dbraw/zinc/18/41/32/637184132.db2.gz	IIFFDRMPVPBTDK-UHFFFAOYSA-N	0	1	204.233	0.467	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2c3c(nn2C)CCC3)N1	ZINC000901214769	637235580	/nfs/dbraw/zinc/23/55/80/637235580.db2.gz	DJNCBMHIRIOYDP-QMMMGPOBSA-N	0	1	246.318	0.180	20	30		BCEDMN
N#Cc1ccc(CNCC[N+](=O)[O-])cc1	ZINC000905035504	637556513	/nfs/dbraw/zinc/55/65/13/637556513.db2.gz	FGCNDPQYZLLEFV-UHFFFAOYSA-N	0	1	205.217	0.925	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1cccnc1	ZINC000905154146	637637074	/nfs/dbraw/zinc/63/70/74/637637074.db2.gz	XNMBZPHKNHFRGT-UHFFFAOYSA-N	0	1	232.287	0.768	20	30		BCEDMN
CC[C@@](O)(CNCC#CCO)C(F)(F)F	ZINC000905357186	637777388	/nfs/dbraw/zinc/77/73/88/637777388.db2.gz	KGDHGMUKWCWAAK-MRVPVSSYSA-N	0	1	225.210	0.275	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)CC1(O)CCCCC1	ZINC000905367809	637789444	/nfs/dbraw/zinc/78/94/44/637789444.db2.gz	VUQMXTUCKNWSGD-NWDGAFQWSA-N	0	1	241.331	0.016	20	30		BCEDMN
CCCn1cc(C(C)=NNc2cnnn2C)nn1	ZINC000905473448	637817974	/nfs/dbraw/zinc/81/79/74/637817974.db2.gz	KBQMZBOENNQWFH-UHFFFAOYSA-N	0	1	248.294	0.653	20	30		BCEDMN
C(=NNC1=NCCN1)c1nccc2c1CCCC2	ZINC000905479184	637819001	/nfs/dbraw/zinc/81/90/01/637819001.db2.gz	QCGSBDALERVQOV-UHFFFAOYSA-N	0	1	243.314	0.843	20	30		BCEDMN
CCCn1cc(C(C)=NNC2=NC[C@@H](C)N2)nn1	ZINC000905461947	637824770	/nfs/dbraw/zinc/82/47/70/637824770.db2.gz	XYKKAQBFJDYPBN-MRVPVSSYSA-N	0	1	249.322	0.349	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn(CCF)c2)N1	ZINC000905460668	637825260	/nfs/dbraw/zinc/82/52/60/637825260.db2.gz	NOJLTJRBPMEWBF-QMMMGPOBSA-N	0	1	238.270	0.124	20	30		BCEDMN
Cn1ccnc1NN=Cc1cnc2n1CCOC2	ZINC000905468231	637829658	/nfs/dbraw/zinc/82/96/58/637829658.db2.gz	RLEJUHKHFBQIKE-UHFFFAOYSA-N	0	1	246.274	0.593	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1CNC[C@@H](C#N)CCC#N	ZINC000905489294	637835544	/nfs/dbraw/zinc/83/55/44/637835544.db2.gz	BOYNPPXYBGQERM-GMTAPVOTSA-N	0	1	235.287	0.829	20	30		BCEDMN
N#CCC1CN(C[C@H](O)CCC2(O)CCC2)C1	ZINC000905962723	638009128	/nfs/dbraw/zinc/00/91/28/638009128.db2.gz	MEQLCQKDMGBBHA-GFCCVEGCSA-N	0	1	238.331	0.888	20	30		BCEDMN
CCc1nc[nH]c1C(=O)Nc1cnn(CC#N)c1	ZINC000906462977	638171531	/nfs/dbraw/zinc/17/15/31/638171531.db2.gz	SUUPTOLLNHHNHB-UHFFFAOYSA-N	0	1	244.258	0.944	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)Cc1cnc[nH]1	ZINC000907388045	638370455	/nfs/dbraw/zinc/37/04/55/638370455.db2.gz	LOPNAFMNTNCKJX-MRVPVSSYSA-N	0	1	206.249	0.761	20	30		BCEDMN
C#CCN(C(=O)Cc1c[nH]cn1)C1CC1	ZINC000907393070	638371469	/nfs/dbraw/zinc/37/14/69/638371469.db2.gz	JKJWFVHVTGSCIT-UHFFFAOYSA-N	0	1	203.245	0.576	20	30		BCEDMN
Nc1cn[nH]c1[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000907420594	638378604	/nfs/dbraw/zinc/37/86/04/638378604.db2.gz	ACVBRZIKHIDHLI-JTQLQIEISA-N	0	1	244.298	0.721	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C	ZINC000908622077	639037689	/nfs/dbraw/zinc/03/76/89/639037689.db2.gz	YQQPKVVIOBOXQZ-KBVBSXBZSA-N	0	1	247.298	0.186	20	30		BCEDMN
C=CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000909714143	639206445	/nfs/dbraw/zinc/20/64/45/639206445.db2.gz	UGNVXYQLLXUPDY-UWVGGRQHSA-N	0	1	240.303	0.616	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	ZINC000910285494	639406197	/nfs/dbraw/zinc/40/61/97/639406197.db2.gz	ARKHDEGKLMVINH-JTQLQIEISA-N	0	1	242.319	0.862	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cnc[nH]1	ZINC000911277644	639607246	/nfs/dbraw/zinc/60/72/46/639607246.db2.gz	ZUJNGQXDGDTAIW-ONGXEEELSA-N	0	1	235.287	0.660	20	30		BCEDMN
C#CCN(Cc1ccccc1)C[C@@H](O)[C@H](C)O	ZINC000930476678	639770421	/nfs/dbraw/zinc/77/04/21/639770421.db2.gz	RYNKPPOGERAIGY-GXTWGEPZSA-N	0	1	233.311	0.864	20	30		BCEDMN
CCNC(=O)[C@@H](NC[C@H](O)CC#N)C(C)C	ZINC000930567533	639812103	/nfs/dbraw/zinc/81/21/03/639812103.db2.gz	GPONJFVGYXYTCE-ZJUUUORDSA-N	0	1	227.308	0.011	20	30		BCEDMN
CC#CCN(C)C[C@@H](O)C1(O)CCCC1	ZINC000930587340	639814210	/nfs/dbraw/zinc/81/42/10/639814210.db2.gz	APAVHWFKLILMED-LLVKDONJSA-N	0	1	211.305	0.608	20	30		BCEDMN
C#C[C@](C)(CC)NCC(=O)Nc1cccnn1	ZINC000930600471	639816575	/nfs/dbraw/zinc/81/65/75/639816575.db2.gz	JQOLLUFMTPIAQO-GFCCVEGCSA-N	0	1	232.287	0.807	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN[C@H](C)C1	ZINC000911809023	639831500	/nfs/dbraw/zinc/83/15/00/639831500.db2.gz	HPQNZRPZPMVLPD-IJLUTSLNSA-N	0	1	238.331	0.788	20	30		BCEDMN
CCn1cc([C@@H](C)NC[C@H](O)CC#N)cn1	ZINC000930658254	639850507	/nfs/dbraw/zinc/85/05/07/639850507.db2.gz	XVRWODZFAMCYNC-MWLCHTKSSA-N	0	1	222.292	0.828	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)C1(O)CCC1	ZINC000930693597	639862730	/nfs/dbraw/zinc/86/27/30/639862730.db2.gz	QUIDCKIXIURFRZ-ZJUUUORDSA-N	0	1	212.293	0.544	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1	ZINC000912029554	639921971	/nfs/dbraw/zinc/92/19/71/639921971.db2.gz	AOPIZWZJVWOGNZ-GHMZBOCLSA-N	0	1	240.347	0.722	20	30		BCEDMN
CC#CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1	ZINC000912023691	639929788	/nfs/dbraw/zinc/92/97/88/639929788.db2.gz	HRMKUBZISRYJKP-PHIMTYICSA-N	0	1	208.305	0.951	20	30		BCEDMN
C=CCC[C@H](O)CN1[C@H](C)C(=O)N[C@H](C)[C@H]1C	ZINC000930833384	639934034	/nfs/dbraw/zinc/93/40/34/639934034.db2.gz	FTVSBLZUWCAHMF-KKOKHZNYSA-N	0	1	240.347	0.911	20	30		BCEDMN
C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1CCC#N	ZINC000930918084	639989740	/nfs/dbraw/zinc/98/97/40/639989740.db2.gz	YCMCVQYACJCFHQ-OPRDCNLKSA-N	0	1	209.293	0.874	20	30		BCEDMN
C=CCN(C[C@H](O)CC#N)[C@H](C)COC	ZINC000930931570	639992127	/nfs/dbraw/zinc/99/21/27/639992127.db2.gz	ZDPZAZKDARFLQN-GHMZBOCLSA-N	0	1	212.293	0.784	20	30		BCEDMN
C#CC1(O)CCN([C@H](C)c2n[nH]c(C)n2)CC1	ZINC000931149268	640078599	/nfs/dbraw/zinc/07/85/99/640078599.db2.gz	FWGRAHSJSPDODF-SECBINFHSA-N	0	1	234.303	0.634	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@@H+](CCC)C1	ZINC000912449855	640079217	/nfs/dbraw/zinc/07/92/17/640079217.db2.gz	DHDFVBRZYUVJNL-NSHDSACASA-N	0	1	224.304	0.789	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@H+](CCC)C1	ZINC000912449855	640079219	/nfs/dbraw/zinc/07/92/19/640079219.db2.gz	DHDFVBRZYUVJNL-NSHDSACASA-N	0	1	224.304	0.789	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@H](N2CCC2)C1	ZINC000912902232	640246427	/nfs/dbraw/zinc/24/64/27/640246427.db2.gz	CEWGXXYAIUXKFI-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC000912985499	640264384	/nfs/dbraw/zinc/26/43/84/640264384.db2.gz	GRCYQRHVTHKDKP-JTQLQIEISA-N	0	1	217.272	0.824	20	30		BCEDMN
C=CCN1CCC(N2C(=O)CN(C)C2=O)CC1	ZINC000348918460	640282979	/nfs/dbraw/zinc/28/29/79/640282979.db2.gz	YTVUYLMJNDCMEC-UHFFFAOYSA-N	0	1	237.303	0.531	20	30		BCEDMN
C[C@@H]1CC[C@H](C(=O)NCC#CCN(C)C)O1	ZINC000913523406	640379455	/nfs/dbraw/zinc/37/94/55/640379455.db2.gz	ZAVPIQRZVJLIHZ-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@@H]1CO[C@H](C(=O)NCC#CCN(C)C)C1	ZINC000913524873	640379998	/nfs/dbraw/zinc/37/99/98/640379998.db2.gz	AAKKGUNECNIRQX-QWRGUYRKSA-N	0	1	224.304	0.093	20	30		BCEDMN
Cc1ncc(C(=O)NCC#CCN(C)C)c(C)n1	ZINC000913520102	640382371	/nfs/dbraw/zinc/38/23/71/640382371.db2.gz	CNKNOPZVHBBCTD-UHFFFAOYSA-N	0	1	246.314	0.388	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1=CCOCC1	ZINC000913521387	640383770	/nfs/dbraw/zinc/38/37/70/640383770.db2.gz	XBDRHRGAKHCILU-UHFFFAOYSA-N	0	1	222.288	0.014	20	30		BCEDMN
CO[C@H](C)CCC(=O)NCC#CCN(C)C	ZINC000913521193	640383649	/nfs/dbraw/zinc/38/36/49/640383649.db2.gz	OFNFRHNCYMFKLW-LLVKDONJSA-N	0	1	226.320	0.483	20	30		BCEDMN
CCC[C@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000932177602	640448969	/nfs/dbraw/zinc/44/89/69/640448969.db2.gz	AENFUSNLJPBKHG-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCO[C@@H](C)CC1	ZINC000932348700	640490742	/nfs/dbraw/zinc/49/07/42/640490742.db2.gz	GRXBLIYLPKVKMU-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC[N@H+](CCCOC(=O)NC(N)=O)C(C)C	ZINC000932388422	640502411	/nfs/dbraw/zinc/50/24/11/640502411.db2.gz	JRCOIETUZNECLF-UHFFFAOYSA-N	0	1	241.291	0.525	20	30		BCEDMN
C#CCN(CC(=O)N1CCNC1=O)C(C)(C)C	ZINC000932464491	640538689	/nfs/dbraw/zinc/53/86/89/640538689.db2.gz	COVLQWNEIRCISR-UHFFFAOYSA-N	0	1	237.303	0.272	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cn[nH]c2)C[C@@H]1C	ZINC000947093527	640664641	/nfs/dbraw/zinc/66/46/41/640664641.db2.gz	DKBFZRNOSQXPNR-CMPLNLGQSA-N	0	1	246.314	0.626	20	30		BCEDMN
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C=CCC[C@@H](O)C[N@H+]1CCCNC(=O)[C@H]1CC	ZINC000933221957	640685406	/nfs/dbraw/zinc/68/54/06/640685406.db2.gz	MYMDUBIPSMFSHI-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC[C@H]1C(=O)NCCCN1CCOCCC#N	ZINC000933231618	640687355	/nfs/dbraw/zinc/68/73/55/640687355.db2.gz	PFMBLDPUGYXYLW-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
C[C@H](C#N)OCCN1CCC[C@H]1C1OCCO1	ZINC000933900166	640785228	/nfs/dbraw/zinc/78/52/28/640785228.db2.gz	VIUOKKIPQVIHGA-MNOVXSKESA-N	0	1	240.303	0.752	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1	ZINC000971024958	711494684	/nfs/dbraw/zinc/49/46/84/711494684.db2.gz	KZDUEHMPQWCYHE-NWDGAFQWSA-N	0	1	236.315	0.331	20	30		BCEDMN
C=CCN1CC(NC(=O)[C@@H]2CCCCN2C)C1	ZINC001030535340	640899421	/nfs/dbraw/zinc/89/94/21/640899421.db2.gz	OFIIJZXHXITLDZ-LBPRGKRZSA-N	0	1	237.347	0.457	20	30		BCEDMN
CO[C@H]1CC[C@H]1N(C)CC(=O)NCCC#N	ZINC000934128308	641086345	/nfs/dbraw/zinc/08/63/45/641086345.db2.gz	RNWYMNNTYNFNHY-ZJUUUORDSA-N	0	1	225.292	0.125	20	30		BCEDMN
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C#C[C@@H]1CCCCN1CCc1nnnn1C	ZINC000934519456	641187493	/nfs/dbraw/zinc/18/74/93/641187493.db2.gz	RVWJODHXXIUBOT-SNVBAGLBSA-N	0	1	219.292	0.240	20	30		BCEDMN
C#CCNCC(=O)NCCSC(F)(F)F	ZINC000231945933	641219517	/nfs/dbraw/zinc/21/95/17/641219517.db2.gz	MWUITYGLZGDSIK-UHFFFAOYSA-N	0	1	240.250	0.578	20	30		BCEDMN
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C[C@@H]1CC(=NC(=O)c2ccc(C=O)cn2)NO1	ZINC000935136182	641347028	/nfs/dbraw/zinc/34/70/28/641347028.db2.gz	WFFRRTWKPMWGCE-SSDOTTSWSA-N	0	1	233.227	0.746	20	30		BCEDMN
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C#C[C@H](C)NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	ZINC000935463842	641414029	/nfs/dbraw/zinc/41/40/29/641414029.db2.gz	SOOGWQSUMWSGNB-JTQLQIEISA-N	0	1	249.314	0.513	20	30		BCEDMN
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CC(C)(C#N)CS(=O)(=O)NCC(F)F	ZINC000914210961	641617055	/nfs/dbraw/zinc/61/70/55/641617055.db2.gz	XOJKLCWBOUDFTD-UHFFFAOYSA-N	0	1	226.248	0.721	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NC[C@@H]1CCN1C	ZINC000925408737	641672619	/nfs/dbraw/zinc/67/26/19/641672619.db2.gz	BAFDAPKRDLEREZ-LBPRGKRZSA-N	0	1	233.315	0.359	20	30		BCEDMN
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Cc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834510906	641727182	/nfs/dbraw/zinc/72/71/82/641727182.db2.gz	GYAXCGRNGZLXPW-VXGBXAGGSA-N	0	1	229.283	0.836	20	30		BCEDMN
C=C(C)CCN1CC(NC(=O)Cc2ncc[nH]2)C1	ZINC001031144774	641733880	/nfs/dbraw/zinc/73/38/80/641733880.db2.gz	ABXLDEGTXHILGR-UHFFFAOYSA-N	0	1	248.330	0.719	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCN1C	ZINC000925415217	641733992	/nfs/dbraw/zinc/73/39/92/641733992.db2.gz	DRWMINNPDKOXTG-VHSXEESVSA-N	0	1	209.293	0.354	20	30		BCEDMN
Cc1cc2c(c(F)c1)NC(=O)C2=NNC(=N)N	ZINC000915048391	641794475	/nfs/dbraw/zinc/79/44/75/641794475.db2.gz	FADXPAMUKAVWHB-UHFFFAOYSA-N	0	1	235.222	0.273	20	30		BCEDMN
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Cc1cn[nH]c1Cn1nc(C)c(C)c(C#N)c1=O	ZINC000916275154	641925066	/nfs/dbraw/zinc/92/50/66/641925066.db2.gz	PMIMFKDDJYFGMF-UHFFFAOYSA-N	0	1	243.270	0.812	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ccccn2)C1	ZINC001031515557	642249298	/nfs/dbraw/zinc/24/92/98/642249298.db2.gz	LSCMSLIJPYOJLA-UHFFFAOYSA-N	0	1	243.310	0.767	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)Cc1cn[nH]c1C	ZINC000918687826	642249307	/nfs/dbraw/zinc/24/93/07/642249307.db2.gz	DFYMUBGYMHTYAL-UHFFFAOYSA-N	0	1	241.316	0.503	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cnccn2)C1	ZINC001031522725	642264231	/nfs/dbraw/zinc/26/42/31/642264231.db2.gz	DESHNZXXWFNECV-UHFFFAOYSA-N	0	1	246.314	0.714	20	30		BCEDMN
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C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1	ZINC000971177889	642314535	/nfs/dbraw/zinc/31/45/35/642314535.db2.gz	QZYGXTMMSOLWCK-NEPJUHHUSA-N	0	1	236.315	0.189	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C)nn2C)C1	ZINC001031566588	642314934	/nfs/dbraw/zinc/31/49/34/642314934.db2.gz	XXIRXHXDLIVZSJ-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC001031603228	642363194	/nfs/dbraw/zinc/36/31/94/642363194.db2.gz	LSHGBPSEMFLUPA-UHFFFAOYSA-N	0	1	244.298	0.734	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccoc2)C1	ZINC000971387957	642395077	/nfs/dbraw/zinc/39/50/77/642395077.db2.gz	BSZLCMYFCDNXEO-CYBMUJFWSA-N	0	1	246.310	0.988	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cncnc2)C1	ZINC000971390578	642398126	/nfs/dbraw/zinc/39/81/26/642398126.db2.gz	DFHGXIHYFPVOPD-LBPRGKRZSA-N	0	1	244.298	0.256	20	30		BCEDMN
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C#CC1(F)CN(C(=O)c2cccc3nn[nH]c32)C1	ZINC000919933884	642410116	/nfs/dbraw/zinc/41/01/16/642410116.db2.gz	RRANUAKPKZRKQM-UHFFFAOYSA-N	0	1	244.229	0.755	20	30		BCEDMN
C#CCOCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C	ZINC000155146988	642414832	/nfs/dbraw/zinc/41/48/32/642414832.db2.gz	RRDHWKMYFLZTCR-RYUDHWBXSA-N	0	1	238.331	0.577	20	30		BCEDMN
CCC1(CC)CNC(=O)[C@@H]1NC[C@H](O)CC#N	ZINC000933286365	642462988	/nfs/dbraw/zinc/46/29/88/642462988.db2.gz	NVWHDJDDILDTSX-ZJUUUORDSA-N	0	1	239.319	0.155	20	30		BCEDMN
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CC#CCN1CC[C@H](C)[C@H](NC(C)=O)C1	ZINC000964574896	642753246	/nfs/dbraw/zinc/75/32/46/642753246.db2.gz	LTHOQVXXERMFHG-CMPLNLGQSA-N	0	1	208.305	0.856	20	30		BCEDMN
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C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)OC)C1	ZINC000967417406	642801334	/nfs/dbraw/zinc/80/13/34/642801334.db2.gz	CLXDTJNETXUSLM-VHSXEESVSA-N	0	1	246.738	0.964	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ccsn2)C1	ZINC001031759865	642816249	/nfs/dbraw/zinc/81/62/49/642816249.db2.gz	KYUJXNQXZGDYOF-UHFFFAOYSA-N	0	1	249.339	0.828	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC001006665625	642823199	/nfs/dbraw/zinc/82/31/99/642823199.db2.gz	HCPPFEMAPSFPLA-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1	ZINC001006665629	642823863	/nfs/dbraw/zinc/82/38/63/642823863.db2.gz	HCPPFEMAPSFPLA-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2ccn[nH]2)C1	ZINC001006797544	642825635	/nfs/dbraw/zinc/82/56/35/642825635.db2.gz	MPIIVVISLLZPDW-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCCN1CCC[C@H](NC(=O)c2cnon2)C1	ZINC001008925855	642834559	/nfs/dbraw/zinc/83/45/59/642834559.db2.gz	FWRSKDXFUSJPBA-JTQLQIEISA-N	0	1	248.286	0.287	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cn2cncn2)C1	ZINC001009435455	642837065	/nfs/dbraw/zinc/83/70/65/642837065.db2.gz	MOWLQWYLSRFCCU-NSHDSACASA-N	0	1	249.318	0.045	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C2=COCCO2)C1	ZINC001009996994	642848245	/nfs/dbraw/zinc/84/82/45/642848245.db2.gz	OSVFYMIKHBMPQK-JTQLQIEISA-N	0	1	238.287	0.251	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2cnn(C)c2)C1	ZINC001010118649	642851564	/nfs/dbraw/zinc/85/15/64/642851564.db2.gz	RXSWCMCASGOURC-GFCCVEGCSA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)C[C@H]2CCCO2)C1	ZINC001010246617	642853703	/nfs/dbraw/zinc/85/37/03/642853703.db2.gz	DFQLVCCEFZASAH-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1	ZINC001010246629	642854974	/nfs/dbraw/zinc/85/49/74/642854974.db2.gz	DFQLVCCEFZASAH-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1	ZINC001010318702	642857001	/nfs/dbraw/zinc/85/70/01/642857001.db2.gz	HTQFYMWLAMJDRX-SNVBAGLBSA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H]2CCOC2)C1	ZINC001010344545	642859758	/nfs/dbraw/zinc/85/97/58/642859758.db2.gz	NVSSQFAGXPAKJV-QWRGUYRKSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2ccnn2C)C1	ZINC001010350130	642860141	/nfs/dbraw/zinc/86/01/41/642860141.db2.gz	SMRFOGBHSJTPNG-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2cnn(C)c2)C1	ZINC001010365589	642860387	/nfs/dbraw/zinc/86/03/87/642860387.db2.gz	XQKVLMJJJWADFN-LBPRGKRZSA-N	0	1	248.330	0.339	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001010344543	642860781	/nfs/dbraw/zinc/86/07/81/642860781.db2.gz	NVSSQFAGXPAKJV-GHMZBOCLSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C)C1	ZINC001010377089	642861814	/nfs/dbraw/zinc/86/18/14/642861814.db2.gz	ARELOKXVGZVZPA-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C)C1	ZINC001010377088	642863147	/nfs/dbraw/zinc/86/31/47/642863147.db2.gz	ARELOKXVGZVZPA-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2cc(C)on2)C1	ZINC001010374318	642863361	/nfs/dbraw/zinc/86/33/61/642863361.db2.gz	YRVYOAQVTTWUIW-NSHDSACASA-N	0	1	249.314	0.902	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001010416239	642866005	/nfs/dbraw/zinc/86/60/05/642866005.db2.gz	QAAIYUXWJFWQGQ-LBPRGKRZSA-N	0	1	246.314	0.166	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2ccnn2C)C1	ZINC001010789853	642873298	/nfs/dbraw/zinc/87/32/98/642873298.db2.gz	QUFWUXHVVIHUPC-LLVKDONJSA-N	0	1	248.330	0.339	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2ncc[nH]2)C1	ZINC001014373324	642887029	/nfs/dbraw/zinc/88/70/29/642887029.db2.gz	ONOXZYDEVQJGRL-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
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C=CCN1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001014495759	642889845	/nfs/dbraw/zinc/88/98/45/642889845.db2.gz	QUYPMHZOQARBMJ-LOWVWBTDSA-N	0	1	236.315	0.399	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1	ZINC001015055897	642895828	/nfs/dbraw/zinc/89/58/28/642895828.db2.gz	FTNKAYIUBAVYAW-SNVBAGLBSA-N	0	1	248.330	0.962	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001015567320	642909832	/nfs/dbraw/zinc/90/98/32/642909832.db2.gz	JWUSIANHJHJBDZ-NDBYEHHHSA-N	0	1	248.326	0.093	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnc(C)n2C)C1	ZINC001015616257	642912112	/nfs/dbraw/zinc/91/21/12/642912112.db2.gz	QWXFJPZCPXJHHU-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001015731400	642924463	/nfs/dbraw/zinc/92/44/63/642924463.db2.gz	KFPLBNZIKHYFHG-IJLUTSLNSA-N	0	1	238.331	0.930	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001015760906	642927874	/nfs/dbraw/zinc/92/78/74/642927874.db2.gz	AYYISDNEDRJGLK-JTQLQIEISA-N	0	1	234.303	0.329	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015819402	642930616	/nfs/dbraw/zinc/93/06/16/642930616.db2.gz	HDIREZWHBZDKFZ-SNVBAGLBSA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015819402	642930621	/nfs/dbraw/zinc/93/06/21/642930621.db2.gz	HDIREZWHBZDKFZ-SNVBAGLBSA-N	0	1	234.303	0.708	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2ccnnc2)C1	ZINC001015748287	642931248	/nfs/dbraw/zinc/93/12/48/642931248.db2.gz	MYCMJZXWGCTROR-LBPRGKRZSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ncccn2)C1	ZINC001015886151	642934563	/nfs/dbraw/zinc/93/45/63/642934563.db2.gz	YAFBAGDRJNIBNJ-SNVBAGLBSA-N	0	1	232.287	0.467	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2ncccn2)C1	ZINC001015886124	642937219	/nfs/dbraw/zinc/93/72/19/642937219.db2.gz	XMEBOWIEMSEYNV-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001015903304	642941798	/nfs/dbraw/zinc/94/17/98/642941798.db2.gz	XBMXWQVBEFSVKY-JTQLQIEISA-N	0	1	234.303	0.329	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2nocc2C)C1	ZINC001015950536	642942200	/nfs/dbraw/zinc/94/22/00/642942200.db2.gz	DQXMDRFJEIKINH-NSHDSACASA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cn(CC)nn2)C1	ZINC001015916589	642944925	/nfs/dbraw/zinc/94/49/25/642944925.db2.gz	MXUXHJRXUWHYNH-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016250623	642951171	/nfs/dbraw/zinc/95/11/71/642951171.db2.gz	PNNMPECLKWNLDX-JTQLQIEISA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016250623	642951182	/nfs/dbraw/zinc/95/11/82/642951182.db2.gz	PNNMPECLKWNLDX-JTQLQIEISA-N	0	1	234.303	0.410	20	30		BCEDMN
CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)C1	ZINC001016396540	642955225	/nfs/dbraw/zinc/95/52/25/642955225.db2.gz	DNNYVEBIOLOGCE-LBPRGKRZSA-N	0	1	246.314	0.097	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cn2ccnc2)C1	ZINC001016396540	642955241	/nfs/dbraw/zinc/95/52/41/642955241.db2.gz	DNNYVEBIOLOGCE-LBPRGKRZSA-N	0	1	246.314	0.097	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2c[nH]nc2C)C1	ZINC001031889259	642989942	/nfs/dbraw/zinc/98/99/42/642989942.db2.gz	XRLIQHNVFDZWEE-UHFFFAOYSA-N	0	1	246.314	0.403	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@H](NCC#N)C2)n[nH]1	ZINC001018571711	643001540	/nfs/dbraw/zinc/00/15/40/643001540.db2.gz	DMHGVDWCJNVLRZ-VIFPVBQESA-N	0	1	233.275	0.046	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001031985778	643154137	/nfs/dbraw/zinc/15/41/37/643154137.db2.gz	RVEULBQWYMBPNU-PWSUYJOCSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cocn2)C1	ZINC000969392343	643163716	/nfs/dbraw/zinc/16/37/16/643163716.db2.gz	SNWJPSIUHJRGOA-VIFPVBQESA-N	0	1	235.287	0.911	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cnco2)[C@H](C)C1	ZINC000942540618	643195071	/nfs/dbraw/zinc/19/50/71/643195071.db2.gz	NDHBNWJDCVDYEO-GHMZBOCLSA-N	0	1	247.298	0.748	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnco2)[C@@H](C)C1	ZINC000942540620	643195083	/nfs/dbraw/zinc/19/50/83/643195083.db2.gz	NDHBNWJDCVDYEO-QWRGUYRKSA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cncn2C)C1	ZINC000970069430	643281017	/nfs/dbraw/zinc/28/10/17/643281017.db2.gz	BHQQECUMJXTDGQ-JTQLQIEISA-N	0	1	248.330	0.656	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)[nH]1	ZINC001032317504	643495081	/nfs/dbraw/zinc/49/50/81/643495081.db2.gz	ONDONSCGOKRPJH-UWVGGRQHSA-N	0	1	245.286	0.140	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ccn(C)n2)C1	ZINC000970880706	643584437	/nfs/dbraw/zinc/58/44/37/643584437.db2.gz	PNGRPAFMWQFQPP-JTQLQIEISA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cccnc2)C1	ZINC000970964640	643638563	/nfs/dbraw/zinc/63/85/63/643638563.db2.gz	CRBTVIDAXLIRHF-CYBMUJFWSA-N	0	1	243.310	0.861	20	30		BCEDMN
C=CCCOCCNC(=O)NC[C@H]1CCN1C	ZINC000921659328	643706871	/nfs/dbraw/zinc/70/68/71/643706871.db2.gz	DAGBEZDDJSDYSU-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
CC#CCCNC(=O)NC[C@H]1CCN1C	ZINC000922041304	643852571	/nfs/dbraw/zinc/85/25/71/643852571.db2.gz	VJXRXEQVDCDMQS-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
C#CCNCC(=O)N(CC)C[C@H]1CCOC1	ZINC000086156943	643932982	/nfs/dbraw/zinc/93/29/82/643932982.db2.gz	WPQAIJWDKZRVCX-LLVKDONJSA-N	0	1	224.304	0.094	20	30		BCEDMN
C=CCCn1cc(CNC[C@H]2CCN2C)nn1	ZINC000922576758	644030629	/nfs/dbraw/zinc/03/06/29/644030629.db2.gz	WBJWHKXHJUCGDQ-GFCCVEGCSA-N	0	1	235.335	0.648	20	30		BCEDMN
C=C(C)CCNC(=O)NC[C@H]1CCN1C	ZINC000922706249	644072032	/nfs/dbraw/zinc/07/20/32/644072032.db2.gz	UDWZMOKFGKYUPZ-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)Cc1n[nH]c(C)n1	ZINC000922733749	644082550	/nfs/dbraw/zinc/08/25/50/644082550.db2.gz	GOQPWJKUVKJOBN-VIFPVBQESA-N	0	1	238.291	0.099	20	30		BCEDMN
CS(=O)(=O)CCNCc1cc(C#N)cs1	ZINC000086500244	644144469	/nfs/dbraw/zinc/14/44/69/644144469.db2.gz	GHIRIMKKQGXWGT-UHFFFAOYSA-N	0	1	244.341	0.754	20	30		BCEDMN
N#Cc1csc(CN[C@H]2C[C@H](CO)C2)n1	ZINC000923004163	644228511	/nfs/dbraw/zinc/22/85/11/644228511.db2.gz	ANIZAYPTDZJMTC-ZKCHVHJHSA-N	0	1	223.301	0.875	20	30		BCEDMN
CN(Cc1nnc[nH]1)C(=O)C#Cc1ccccc1	ZINC000080525517	644273479	/nfs/dbraw/zinc/27/34/79/644273479.db2.gz	PKMGNDWBXAJCGI-UHFFFAOYSA-N	0	1	240.266	0.815	20	30		BCEDMN
C=C(C)CNC(=O)NCCCc1nc[nH]n1	ZINC000923136666	644273660	/nfs/dbraw/zinc/27/36/60/644273660.db2.gz	DUHCDCTXNARHMJ-UHFFFAOYSA-N	0	1	223.280	0.613	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000923248747	644301278	/nfs/dbraw/zinc/30/12/78/644301278.db2.gz	RGQHIVZTXBQVAR-GMTAPVOTSA-N	0	1	227.304	0.966	20	30		BCEDMN
C#CCNCC(=O)NCCCOC(C)C	ZINC000082344077	644368184	/nfs/dbraw/zinc/36/81/84/644368184.db2.gz	SVRNWZBDSIUVGW-UHFFFAOYSA-N	0	1	212.293	0.141	20	30		BCEDMN
C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1	ZINC000923552820	644495375	/nfs/dbraw/zinc/49/53/75/644495375.db2.gz	ZZYRXHZXPMJFBT-VXGBXAGGSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)/C=C/C)C1	ZINC000923554759	644499071	/nfs/dbraw/zinc/49/90/71/644499071.db2.gz	OYKULUDBOFJEPW-GQOHGMTASA-N	0	1	206.289	0.776	20	30		BCEDMN
C=CCCCCCN(C)CCS(N)(=O)=O	ZINC000740878635	644563589	/nfs/dbraw/zinc/56/35/89/644563589.db2.gz	QEHKSPUBWLUZOZ-UHFFFAOYSA-N	0	1	234.365	0.953	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000246414541	644586928	/nfs/dbraw/zinc/58/69/28/644586928.db2.gz	FMFVKFBXDFGYBZ-RGOKHQFPSA-N	0	1	220.272	0.877	20	30		BCEDMN
C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COC	ZINC001017276556	644606108	/nfs/dbraw/zinc/60/61/08/644606108.db2.gz	GODUOSOEPQCWQK-TXEJJXNPSA-N	0	1	236.315	0.331	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2	ZINC000759834367	644644589	/nfs/dbraw/zinc/64/45/89/644644589.db2.gz	PFGJTSULOXPDCB-JGVFFNPUSA-N	0	1	206.245	0.631	20	30		BCEDMN
CCn1cc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000779804934	644717616	/nfs/dbraw/zinc/71/76/16/644717616.db2.gz	HURSNVVZSTTZQK-QMMMGPOBSA-N	0	1	220.280	0.174	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1	ZINC000958088857	644776215	/nfs/dbraw/zinc/77/62/15/644776215.db2.gz	KRQIKWDKHCRGGW-IAZYJMLFSA-N	0	1	230.267	0.573	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1	ZINC000958159851	644779468	/nfs/dbraw/zinc/77/94/68/644779468.db2.gz	CQIWUNKHUDZXGX-PJXYFTJBSA-N	0	1	244.294	0.881	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1	ZINC000958297681	644787060	/nfs/dbraw/zinc/78/70/60/644787060.db2.gz	LEXUXPGFVOBXEP-IAZYJMLFSA-N	0	1	244.298	0.093	20	30		BCEDMN
N=C(N)NN=Cc1ccnn1-c1ccccc1	ZINC000790290682	644789068	/nfs/dbraw/zinc/78/90/68/644789068.db2.gz	NSDUSKVLPCNINX-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(C)C	ZINC000958595127	644813736	/nfs/dbraw/zinc/81/37/36/644813736.db2.gz	TVQPEJBWLTXWMX-KXNHARMFSA-N	0	1	232.327	0.712	20	30		BCEDMN
Cc1cc(F)ccc1[C@H](O)CNCC#CCO	ZINC000843078616	644833377	/nfs/dbraw/zinc/83/33/77/644833377.db2.gz	CXRHOOJUZFWASN-CYBMUJFWSA-N	0	1	237.274	0.753	20	30		BCEDMN
C#CCCCCC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000808099213	644872590	/nfs/dbraw/zinc/87/25/90/644872590.db2.gz	GRIHJHNJJQXNMP-UHFFFAOYSA-N	0	1	237.259	0.927	20	30		BCEDMN
CCCN(CCO[C@@H](C)C#N)CC(=O)NC	ZINC000304256915	644881554	/nfs/dbraw/zinc/88/15/54/644881554.db2.gz	SIGIJTXYUINPDB-JTQLQIEISA-N	0	1	227.308	0.373	20	30		BCEDMN
C[C@H](C#N)OCC[N@@H+](C)Cc1cnn(C)c1	ZINC000304250919	644882694	/nfs/dbraw/zinc/88/26/94/644882694.db2.gz	QYTOXVOAZWPOIQ-SNVBAGLBSA-N	0	1	222.292	0.781	20	30		BCEDMN
C[C@H](C#N)OCCN(C)Cc1cnn(C)c1	ZINC000304250919	644882699	/nfs/dbraw/zinc/88/26/99/644882699.db2.gz	QYTOXVOAZWPOIQ-SNVBAGLBSA-N	0	1	222.292	0.781	20	30		BCEDMN
C#CCONC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000812783270	644931149	/nfs/dbraw/zinc/93/11/49/644931149.db2.gz	GXKFHZIIIYVOLA-UHFFFAOYSA-N	0	1	236.183	0.595	20	30		BCEDMN
C[C@H]1CN(C2CC2)CC1N=Nc1cnnn1C	ZINC000814983683	644947624	/nfs/dbraw/zinc/94/76/24/644947624.db2.gz	MKKSPLKGRAPZMG-QMMMGPOBSA-N	0	1	234.307	0.697	20	30		BCEDMN
C[C@H](O)CN(C)N=Cc1ccncc1N	ZINC000819813612	645018302	/nfs/dbraw/zinc/01/83/02/645018302.db2.gz	PUAHJGDDRUQWCP-QMMMGPOBSA-N	0	1	208.265	0.310	20	30		BCEDMN
C#CC1CCN(c2nc3[nH]ncc3c(=O)[nH]2)CC1	ZINC000826715935	645067083	/nfs/dbraw/zinc/06/70/83/645067083.db2.gz	SEGSTRRCTJAUOJ-UHFFFAOYSA-N	0	1	243.270	0.908	20	30		BCEDMN
C#CC[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000829784024	645111190	/nfs/dbraw/zinc/11/11/90/645111190.db2.gz	DOLRBUVDEQGRGO-NSHDSACASA-N	0	1	219.288	0.361	20	30		BCEDMN
C[C@@H](C#N)OCCN1CC[C@](O)(CC#N)C1	ZINC000829998490	645113099	/nfs/dbraw/zinc/11/30/99/645113099.db2.gz	MKUBPBZBXYQFSC-WDEREUQCSA-N	0	1	223.276	0.266	20	30		BCEDMN
C#CC1CCN(CC(=O)NC2(C#N)CCC2)CC1	ZINC000830345433	645120967	/nfs/dbraw/zinc/12/09/67/645120967.db2.gz	CRPRQBPCGAJVAB-UHFFFAOYSA-N	0	1	245.326	0.894	20	30		BCEDMN
CCc1ccnc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834484587	645143152	/nfs/dbraw/zinc/14/31/52/645143152.db2.gz	KRPUBDQQUXMFKK-ZYHUDNBSSA-N	0	1	244.298	0.485	20	30		BCEDMN
CC(C)C#CC(=O)N1CCC2(CN(C)C2)C1	ZINC000834522310	645143284	/nfs/dbraw/zinc/14/32/84/645143284.db2.gz	NFALXTAFZBUQFM-UHFFFAOYSA-N	0	1	220.316	0.810	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccncc1	ZINC000834521216	645144002	/nfs/dbraw/zinc/14/40/02/645144002.db2.gz	DYFABRGUCJXGPZ-RYUDHWBXSA-N	0	1	244.298	0.242	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)C#CC1CC1)C2	ZINC000834523077	645145539	/nfs/dbraw/zinc/14/55/39/645145539.db2.gz	YORQABOPFLQQQK-UHFFFAOYSA-N	0	1	218.300	0.564	20	30		BCEDMN
CC1(C)CN(C(=O)C#CC2CC2)CCN1	ZINC000837452468	645201017	/nfs/dbraw/zinc/20/10/17/645201017.db2.gz	XSQIGAZJONINLN-UHFFFAOYSA-N	0	1	206.289	0.610	20	30		BCEDMN
C=CCC[C@@H](CO)N[C@@H](C)c1cnn(C)n1	ZINC000926545284	645269370	/nfs/dbraw/zinc/26/93/70/645269370.db2.gz	JGAUWBPWUQPABV-UWVGGRQHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)C(C)(C)CO)nn1	ZINC000926615849	645315874	/nfs/dbraw/zinc/31/58/74/645315874.db2.gz	RVQFVQRBZVNUQQ-JTQLQIEISA-N	0	1	238.335	0.961	20	30		BCEDMN
C#CCNCC(=O)N(C)Cc1ccccc1OC	ZINC000105964462	645369062	/nfs/dbraw/zinc/36/90/62/645369062.db2.gz	SWBQFBQHLUDPLY-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
C[C@@H]1COC[C@H]1N1CCN(CCC#N)CC1	ZINC000926807731	645439497	/nfs/dbraw/zinc/43/94/97/645439497.db2.gz	MFSDHWCUAMKLKW-VXGBXAGGSA-N	0	1	223.320	0.553	20	30		BCEDMN
C[C@H]1COC[C@@H]1N1CCN(CCC#N)CC1	ZINC000926807730	645440485	/nfs/dbraw/zinc/44/04/85/645440485.db2.gz	MFSDHWCUAMKLKW-RYUDHWBXSA-N	0	1	223.320	0.553	20	30		BCEDMN
C=C(C)C[C@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926866885	645464202	/nfs/dbraw/zinc/46/42/02/645464202.db2.gz	ZGVIZUVKTZHHHO-NXEZZACHSA-N	0	1	224.308	0.793	20	30		BCEDMN
CC1(C)OC[C@@H](CN2CC[C@](O)(CC#N)C2)O1	ZINC000852204643	645474143	/nfs/dbraw/zinc/47/41/43/645474143.db2.gz	FDZPGKAUHURIER-ZYHUDNBSSA-N	0	1	240.303	0.488	20	30		BCEDMN
CN1CC(C(=O)N[C@H]2CC[C@@H](CC#N)C2)=NC1=O	ZINC000854752159	645511370	/nfs/dbraw/zinc/51/13/70/645511370.db2.gz	PRTFWMOADLWAFZ-IUCAKERBSA-N	0	1	248.286	0.938	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc(F)c(C)c1	ZINC000857577231	645618257	/nfs/dbraw/zinc/61/82/57/645618257.db2.gz	WNMHXYUOWANZSO-UHFFFAOYSA-N	0	1	234.274	0.973	20	30		BCEDMN
CON=CC(=O)NCc1cc(N(C)C)ccn1	ZINC000927699196	645639762	/nfs/dbraw/zinc/63/97/62/645639762.db2.gz	RUPZRTBWYLSQCC-UHFFFAOYSA-N	0	1	236.275	0.396	20	30		BCEDMN
CCOC(=O)[C@@H](CSC)NC(=O)C(C)C#N	ZINC000928298328	645719616	/nfs/dbraw/zinc/71/96/16/645719616.db2.gz	UDZBVOMVQDYDQQ-JGVFFNPUSA-N	0	1	244.316	0.557	20	30		BCEDMN
CCOC(=O)[C@H](CSC)NC(=O)C(C)C#N	ZINC000928298329	645720334	/nfs/dbraw/zinc/72/03/34/645720334.db2.gz	UDZBVOMVQDYDQQ-SFYZADRCSA-N	0	1	244.316	0.557	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C	ZINC000928553634	645809348	/nfs/dbraw/zinc/80/93/48/645809348.db2.gz	HLNGXHKKXNOSJE-MXWKQRLJSA-N	0	1	224.304	0.398	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CCN1C	ZINC000928555817	645812484	/nfs/dbraw/zinc/81/24/84/645812484.db2.gz	PQWDWFHNBLRGDF-SNVBAGLBSA-N	0	1	232.287	0.629	20	30		BCEDMN
C#CCOCCN1CCC[C@H]2CCNC(=O)[C@H]21	ZINC000880527829	645836003	/nfs/dbraw/zinc/83/60/03/645836003.db2.gz	VOPFTWZESUEPFC-RYUDHWBXSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cn(C)nc1C(F)F	ZINC000883124417	645849712	/nfs/dbraw/zinc/84/97/12/645849712.db2.gz	GHRGGJNBXNZEOO-VIFPVBQESA-N	0	1	243.257	0.832	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2CSC2)CC1	ZINC000928650147	645852209	/nfs/dbraw/zinc/85/22/09/645852209.db2.gz	ZQJMQCIFLREFFM-UHFFFAOYSA-N	0	1	238.356	0.563	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2[nH]cnc2C)CC1	ZINC000928648113	645852657	/nfs/dbraw/zinc/85/26/57/645852657.db2.gz	GNMWLNCLJMBOAW-UHFFFAOYSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cnc[nH]2)CC1	ZINC000928654733	645854168	/nfs/dbraw/zinc/85/41/68/645854168.db2.gz	AYLBSGFPJHVEHN-UHFFFAOYSA-N	0	1	232.287	0.237	20	30		BCEDMN
N#CC[C@@H](NC(=O)c1cnn[nH]1)C(F)(F)F	ZINC000928815547	645862350	/nfs/dbraw/zinc/86/23/50/645862350.db2.gz	RZOWRONTBICCSQ-RXMQYKEDSA-N	0	1	233.153	0.379	20	30		BCEDMN
C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CO	ZINC000929363809	646097872	/nfs/dbraw/zinc/09/78/72/646097872.db2.gz	KOHVWRUCEARLPZ-AWEZNQCLSA-N	0	1	246.310	0.899	20	30		BCEDMN
C#CC[C@@H](CO)NCc1oc(C)nc1C	ZINC000723630522	711527306	/nfs/dbraw/zinc/52/73/06/711527306.db2.gz	FOOZKOPWVHTCSF-JTQLQIEISA-N	0	1	208.261	0.765	20	30		BCEDMN
CN1C[C@H](O)C[C@H]1CNC(=O)C#CC(C)(C)C	ZINC000924978874	646146244	/nfs/dbraw/zinc/14/62/44/646146244.db2.gz	LLXLJVLJJINGDX-WDEREUQCSA-N	0	1	238.331	0.217	20	30		BCEDMN
C[C@](CO)(NC[C@H](O)CC#N)c1ccccc1	ZINC000929604272	646194913	/nfs/dbraw/zinc/19/49/13/646194913.db2.gz	SZLSSPIVTZOYHE-CHWSQXEVSA-N	0	1	234.299	0.758	20	30		BCEDMN
C=C(C)C[C@H]1NC(=O)N(C[C@H]2CCN2C)C1=O	ZINC000925196918	646207902	/nfs/dbraw/zinc/20/79/02/646207902.db2.gz	POGTZXCXICSAGE-NXEZZACHSA-N	0	1	237.303	0.577	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCN1C	ZINC000925403646	646265080	/nfs/dbraw/zinc/26/50/80/646265080.db2.gz	NFJAGSJMTLEJAM-NXEZZACHSA-N	0	1	224.308	0.492	20	30		BCEDMN
C#CCN(CC#C)CC1(O)CCOCC1	ZINC000929758124	646291560	/nfs/dbraw/zinc/29/15/60/646291560.db2.gz	NLOIBJHGSMZHSQ-UHFFFAOYSA-N	0	1	207.273	0.096	20	30		BCEDMN
C#CC1CCN(C(=O)NC[C@H]2CCN2C)CC1	ZINC000925430964	646280319	/nfs/dbraw/zinc/28/03/19/646280319.db2.gz	RJSMQUREHWKYDQ-GFCCVEGCSA-N	0	1	235.331	0.745	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CCC1(O)CCC1	ZINC000929757751	646287366	/nfs/dbraw/zinc/28/73/66/646287366.db2.gz	LCSMRXIDGYMNIU-CYBMUJFWSA-N	0	1	235.327	0.611	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN2C(=O)CC[C@@H]2C1	ZINC000930142380	646454452	/nfs/dbraw/zinc/45/44/52/646454452.db2.gz	KHHMMHCFGBECCY-GHMZBOCLSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=CCOCCN[C@H](C)c1cnnn1C	ZINC000926117025	646577794	/nfs/dbraw/zinc/57/77/94/646577794.db2.gz	VHXJOKADNCZYHZ-SECBINFHSA-N	0	1	210.281	0.668	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCO1	ZINC001038042113	711578412	/nfs/dbraw/zinc/57/84/12/711578412.db2.gz	VVKVBGFOSSHKKQ-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H]1COCC[C@H]1OC	ZINC000724916835	711627349	/nfs/dbraw/zinc/62/73/49/711627349.db2.gz	RTFHECRSNAIIMR-GMTAPVOTSA-N	0	1	242.319	0.071	20	30		BCEDMN
N#C[C@H]1CCCN(CC[C@H]2CCNC2=O)C1	ZINC000395844261	711698015	/nfs/dbraw/zinc/69/80/15/711698015.db2.gz	JSIMEIZFVWVBFJ-GHMZBOCLSA-N	0	1	221.304	0.748	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1	ZINC001075590637	711747384	/nfs/dbraw/zinc/74/73/84/711747384.db2.gz	AJOSYKMPOQLUTB-SDDRHHMPSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1	ZINC001075619692	711761092	/nfs/dbraw/zinc/76/10/92/711761092.db2.gz	LSBCUNPLNVOTAJ-SDDRHHMPSA-N	0	1	231.299	0.312	20	30		BCEDMN
C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1	ZINC001076664303	711807464	/nfs/dbraw/zinc/80/74/64/711807464.db2.gz	OSDMNFWVPLHRLX-VXGBXAGGSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1	ZINC001076664303	711807465	/nfs/dbraw/zinc/80/74/65/711807465.db2.gz	OSDMNFWVPLHRLX-VXGBXAGGSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=C(Br)CNC[C@H](O)COC	ZINC000070590309	711895901	/nfs/dbraw/zinc/89/59/01/711895901.db2.gz	XWZLZVCARFXTSI-ZETCQYMHSA-N	0	1	224.098	0.492	20	30		BCEDMN
C#CC1CCN(C(=O)Cc2ccn[nH]2)CC1	ZINC000700627263	712003235	/nfs/dbraw/zinc/00/32/35/712003235.db2.gz	LWQYSYRVQOLIRX-UHFFFAOYSA-N	0	1	217.272	0.824	20	30		BCEDMN
C#CCNCC(=O)N[C@@](C)(CCC)C(=O)OC	ZINC000707364048	712169042	/nfs/dbraw/zinc/16/90/42/712169042.db2.gz	RIIPVJALWAFYNE-LBPRGKRZSA-N	0	1	240.303	0.057	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C=C1CCC1	ZINC000379455396	712384703	/nfs/dbraw/zinc/38/47/03/712384703.db2.gz	MYRRXFHHWKZGLR-VHSXEESVSA-N	0	1	205.261	0.324	20	30		BCEDMN
C=C(C)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000715835074	712534977	/nfs/dbraw/zinc/53/49/77/712534977.db2.gz	USTKZNRUPYNGHG-CMPLNLGQSA-N	0	1	225.288	0.986	20	30		BCEDMN
C#CCSCCN[C@@H](C)c1cn(C)nn1	ZINC000715888301	712540173	/nfs/dbraw/zinc/54/01/73/712540173.db2.gz	DMSACMZYWONAIN-VIFPVBQESA-N	0	1	224.333	0.832	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cncnc1	ZINC000716928725	712596495	/nfs/dbraw/zinc/59/64/95/712596495.db2.gz	MZOFUEFMLXTFNH-NSHDSACASA-N	0	1	205.261	0.605	20	30		BCEDMN
COCCN(C)N=Cc1cccnc1N	ZINC000379989098	712644500	/nfs/dbraw/zinc/64/45/00/712644500.db2.gz	WQBDJGVJUDKABP-UHFFFAOYSA-N	0	1	208.265	0.576	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCC1(OC)OC	ZINC000717536531	712660907	/nfs/dbraw/zinc/66/09/07/712660907.db2.gz	ZHAHGAIDWGELFE-BDAKNGLRSA-N	0	1	201.266	0.274	20	30		BCEDMN
C#CC[C@H](CO)NCc1snnc1C	ZINC000717828339	712681684	/nfs/dbraw/zinc/68/16/84/712681684.db2.gz	FWGIOOYBDKOXTC-MRVPVSSYSA-N	0	1	211.290	0.320	20	30		BCEDMN
Cc1nc(CN2CCC[C@@H](C#N)C2)n[nH]1	ZINC000932153971	712715599	/nfs/dbraw/zinc/71/55/99/712715599.db2.gz	CQIJCRRGHDFNRJ-VIFPVBQESA-N	0	1	205.265	0.849	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cccnc1	ZINC001038014296	712898345	/nfs/dbraw/zinc/89/83/45/712898345.db2.gz	ASRGFSPLDGYKHV-CYBMUJFWSA-N	0	1	243.310	0.909	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CCCS1	ZINC000381483128	710644830	/nfs/dbraw/zinc/64/48/30/710644830.db2.gz	FZXZIGUNZPIUFY-IWSPIJDZSA-N	0	1	225.317	0.110	20	30		BCEDMN
CCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1	ZINC000381497457	710645859	/nfs/dbraw/zinc/64/58/59/710645859.db2.gz	BNDHMSROTSRACP-IUCAKERBSA-N	0	1	207.277	0.404	20	30		BCEDMN
CN(CCCO)Cc1cncc(C#N)c1	ZINC000721537637	710681165	/nfs/dbraw/zinc/68/11/65/710681165.db2.gz	AWPYKDYMOKEREV-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
COC[C@@H](C)NN=C(C)c1ccc(N)nc1	ZINC000382108452	710786758	/nfs/dbraw/zinc/78/67/58/710786758.db2.gz	JJRDJDWQJZBVOI-MRVPVSSYSA-N	0	1	222.292	0.843	20	30		BCEDMN
C=C(C)CN1CC(N(C)C(=O)c2ccn[nH]2)C1	ZINC001042491852	710788241	/nfs/dbraw/zinc/78/82/41/710788241.db2.gz	FCXHCLSSKZNDIS-UHFFFAOYSA-N	0	1	234.303	0.742	20	30		BCEDMN
C#CCN1CC[C@H]2CCN(C(=O)C3CC3)C[C@H]21	ZINC001041877140	710772171	/nfs/dbraw/zinc/77/21/71/710772171.db2.gz	YPTCHOKBVZVHBH-WCQYABFASA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCN1CC(N(C)C(=O)c2cnc(C)[nH]2)C1	ZINC001042542920	710790858	/nfs/dbraw/zinc/79/08/58/710790858.db2.gz	BFVJQYQZOGVRCV-UHFFFAOYSA-N	0	1	232.287	0.108	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2ccncc2)C1	ZINC001046103130	710848708	/nfs/dbraw/zinc/84/87/08/710848708.db2.gz	PLVQRKNHGJTTNI-CQSZACIVSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046166177	710853274	/nfs/dbraw/zinc/85/32/74/710853274.db2.gz	YARSKICHMJMMQQ-GFCCVEGCSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001046537091	710861333	/nfs/dbraw/zinc/86/13/33/710861333.db2.gz	HAJCMBPFVIRSIQ-OWTLIXCDSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1C[C@@H]2CCCN(C(=O)CC)[C@@H]2C1	ZINC001049935783	710904431	/nfs/dbraw/zinc/90/44/31/710904431.db2.gz	MKPUEAHHRYFRME-NWDGAFQWSA-N	0	1	220.316	0.952	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC#N)C2)[nH]1	ZINC001054477686	710935918	/nfs/dbraw/zinc/93/59/18/710935918.db2.gz	CHVYPXKAGULGPK-LDYMZIIASA-N	0	1	247.302	0.292	20	30		BCEDMN
CNC(=O)[C@H](C#N)C(=O)[C@H]1CC1(Cl)Cl	ZINC000133427902	710970818	/nfs/dbraw/zinc/97/08/18/710970818.db2.gz	DZASJMJARMRMMS-RFZPGFLSSA-N	0	1	235.070	0.635	20	30		BCEDMN
C#CCNC(=O)CN(C)CCCOC(C)C	ZINC000382857184	710975159	/nfs/dbraw/zinc/97/51/59/710975159.db2.gz	LOXQKLDNWDGZOG-UHFFFAOYSA-N	0	1	226.320	0.483	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](SC)C1	ZINC000382994320	710976337	/nfs/dbraw/zinc/97/63/37/710976337.db2.gz	ZMQMXCWZPYUFJH-SECBINFHSA-N	0	1	212.318	0.173	20	30		BCEDMN
C#CCNC(=O)CN1CCSCC[C@H]1C	ZINC000385159977	711005606	/nfs/dbraw/zinc/00/56/06/711005606.db2.gz	BBUBMJXSWMMKQG-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCSC[C@@H]1CO	ZINC000388593265	711062656	/nfs/dbraw/zinc/06/26/56/711062656.db2.gz	INFKNULCWFNGFF-UWVGGRQHSA-N	0	1	230.333	0.325	20	30		BCEDMN
CC[C@H](NN=C1CC[N@@H+](C)[C@H](C)C1)C(=O)[O-]	ZINC000390210944	711108898	/nfs/dbraw/zinc/10/88/98/711108898.db2.gz	VCUAXTMNCPWWTQ-SCZZXKLOSA-N	0	1	227.308	0.909	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1csc(N)n1	ZINC000390347880	711112488	/nfs/dbraw/zinc/11/24/88/711112488.db2.gz	OOACMNUOTDVNQU-RXMQYKEDSA-N	0	1	238.320	0.217	20	30		BCEDMN
C#CC[N@@H+]1C[C@H](NC(=O)c2cnn[n-]2)CC[C@H]1C	ZINC001071634587	711198424	/nfs/dbraw/zinc/19/84/24/711198424.db2.gz	FZQMEVWROTYYIL-NXEZZACHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C3(C)CC3)C2)C1	ZINC001072763362	711399863	/nfs/dbraw/zinc/39/98/63/711399863.db2.gz	ZKWWHDAVZCUWRS-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C=CCN1CCCO[C@@H](CNC(=O)C2CC2)C1	ZINC001073499858	711440877	/nfs/dbraw/zinc/44/08/77/711440877.db2.gz	XWHHZMHEEOQVBY-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001010649439	710593027	/nfs/dbraw/zinc/59/30/27/710593027.db2.gz	HDYZAVVRBOKPHQ-NSHDSACASA-N	0	1	244.298	0.876	20	30		BCEDMN
C#C[C@@H](NCCCS(C)(=O)=O)[C@H]1CCCO1	ZINC000381358498	710628221	/nfs/dbraw/zinc/62/82/21/710628221.db2.gz	DYCBMDJROGQFQI-GHMZBOCLSA-N	0	1	245.344	0.192	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2cccn2C)C1	ZINC001046148820	710851746	/nfs/dbraw/zinc/85/17/46/710851746.db2.gz	DXDSLNJVHJFLIO-AWEZNQCLSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CC[N@@H+]1CC=C(CNC(=O)c2cnon2)CC1	ZINC001001280864	710950678	/nfs/dbraw/zinc/95/06/78/710950678.db2.gz	AMGUWOHJHRDJLA-UHFFFAOYSA-N	0	1	246.270	0.065	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)c2cnon2)CC1	ZINC001001280864	710950683	/nfs/dbraw/zinc/95/06/83/710950683.db2.gz	AMGUWOHJHRDJLA-UHFFFAOYSA-N	0	1	246.270	0.065	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCc1n[nH]c(C)n1	ZINC000392726808	711150601	/nfs/dbraw/zinc/15/06/01/711150601.db2.gz	QWXOHDPEHVELQS-ZETCQYMHSA-N	0	1	207.237	0.279	20	30		BCEDMN
C#CCN1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1	ZINC001070388999	711137365	/nfs/dbraw/zinc/13/73/65/711137365.db2.gz	WXKLEEXDDHNKIU-LLVKDONJSA-N	0	1	246.314	0.468	20	30		BCEDMN
C#CC[N@@H+]1C[C@H](NC(=O)c2ncn[n-]2)CC[C@H]1C	ZINC001071908055	711208153	/nfs/dbraw/zinc/20/81/53/711208153.db2.gz	LLWLBQVHIQNXBI-NXEZZACHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C(C)(C)F)C2)C1	ZINC001072382840	711363553	/nfs/dbraw/zinc/36/35/53/711363553.db2.gz	SKABVCKGACYBFP-UHFFFAOYSA-N	0	1	238.306	0.902	20	30		BCEDMN
C#C[C@H](N[C@H](CO)C(=C)C)[C@H]1CCCO1	ZINC000308816130	711566447	/nfs/dbraw/zinc/56/64/47/711566447.db2.gz	AQHLXYBXRGAEFY-QJPTWQEYSA-N	0	1	209.289	0.694	20	30		BCEDMN
C#C[C@H](NCC#CCOC)[C@H]1CCCO1	ZINC000308950151	711653522	/nfs/dbraw/zinc/65/35/22/711653522.db2.gz	OUGCFKXRVXSLJB-NWDGAFQWSA-N	0	1	207.273	0.407	20	30		BCEDMN
COC(=O)N[C@H]1CCN(CCCC#N)C1	ZINC000228259220	711697513	/nfs/dbraw/zinc/69/75/13/711697513.db2.gz	ZBKDMYAUODZRNB-VIFPVBQESA-N	0	1	211.265	0.720	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1	ZINC001075569429	711729911	/nfs/dbraw/zinc/72/99/11/711729911.db2.gz	RNMGXFCKXNTIHM-CMPLNLGQSA-N	0	1	244.298	0.189	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1	ZINC001075569429	711729917	/nfs/dbraw/zinc/72/99/17/711729917.db2.gz	RNMGXFCKXNTIHM-CMPLNLGQSA-N	0	1	244.298	0.189	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ccncc1	ZINC001027721492	711733363	/nfs/dbraw/zinc/73/33/63/711733363.db2.gz	KCNUNDMNLQECLR-ZDUSSCGKSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ccncc1	ZINC001027721491	711733494	/nfs/dbraw/zinc/73/34/94/711733494.db2.gz	KCNUNDMNLQECLR-CYBMUJFWSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1	ZINC001027897324	711742859	/nfs/dbraw/zinc/74/28/59/711742859.db2.gz	KXEJPBLYLAPIQV-LBPRGKRZSA-N	0	1	231.299	0.842	20	30		BCEDMN
Cc1cc(C[C@H](C)NC(=O)NCCC#N)n[nH]1	ZINC000426433149	711764381	/nfs/dbraw/zinc/76/43/81/711764381.db2.gz	LNYJZOJWKHLBOZ-QMMMGPOBSA-N	0	1	235.291	0.862	20	30		BCEDMN
C#CCNCC(=O)N(C)Cc1cc(C)on1	ZINC000086156810	711791291	/nfs/dbraw/zinc/79/12/91/711791291.db2.gz	YXYTWJWUCHREPL-UHFFFAOYSA-N	0	1	221.260	0.164	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1	ZINC001076672180	711807609	/nfs/dbraw/zinc/80/76/09/711807609.db2.gz	IBUUEBYFLZKYOT-VXGBXAGGSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1	ZINC001076670356	711807619	/nfs/dbraw/zinc/80/76/19/711807619.db2.gz	GBLORLLKEWQKOB-NXEZZACHSA-N	0	1	244.310	0.472	20	30		BCEDMN
C#CCCN1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1	ZINC001076868873	711809811	/nfs/dbraw/zinc/80/98/11/711809811.db2.gz	GTUSGDWIPVANBE-CHWSQXEVSA-N	0	1	248.326	0.281	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(C#N)n1C	ZINC000913523197	711823142	/nfs/dbraw/zinc/82/31/42/711823142.db2.gz	PXQRZMJNQROEIN-UHFFFAOYSA-N	0	1	244.298	0.192	20	30		BCEDMN
COCC(C)(C)CC(=O)NCC#CCN(C)C	ZINC000913523110	711823146	/nfs/dbraw/zinc/82/31/46/711823146.db2.gz	MLLYXJLUALMDIW-UHFFFAOYSA-N	0	1	240.347	0.730	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cnn(C2CC2)c1	ZINC000913524699	711823271	/nfs/dbraw/zinc/82/32/71/711823271.db2.gz	YYUOIEINCDIHBI-UHFFFAOYSA-N	0	1	246.314	0.513	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1CCCC1	ZINC000913514341	711823348	/nfs/dbraw/zinc/82/33/48/711823348.db2.gz	MYXQMGIEZUKCDF-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
CN(C)CC#CCNC(=O)/C=C/c1ccco1	ZINC000913514408	711823358	/nfs/dbraw/zinc/82/33/58/711823358.db2.gz	OXSJNIHGPFYJSR-BQYQJAHWSA-N	0	1	232.283	0.974	20	30		BCEDMN
CCOC1(C(=O)NCC#CCN(C)C)CCC1	ZINC000913524700	711823387	/nfs/dbraw/zinc/82/33/87/711823387.db2.gz	ZAUCFOYSWINTGX-UHFFFAOYSA-N	0	1	238.331	0.627	20	30		BCEDMN
C[C@H](C(=O)NCC#CCN(C)C)[C@H]1CCCO1	ZINC000913524421	711823450	/nfs/dbraw/zinc/82/34/50/711823450.db2.gz	MHVFSAWTWTZDIO-NWDGAFQWSA-N	0	1	238.331	0.483	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1=COCCC1	ZINC000913518528	711823816	/nfs/dbraw/zinc/82/38/16/711823816.db2.gz	SROOLSNNMDYKQT-UHFFFAOYSA-N	0	1	222.288	0.362	20	30		BCEDMN
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C#CCN1CCC[C@@H](NC(=O)CC)[C@H]1C	ZINC000992931574	711861844	/nfs/dbraw/zinc/86/18/44/711861844.db2.gz	SNJINJIMKTYYDE-GHMZBOCLSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)CC)[C@H]1C	ZINC000992931575	711861980	/nfs/dbraw/zinc/86/19/80/711861980.db2.gz	SNJINJIMKTYYDE-MNOVXSKESA-N	0	1	208.305	0.999	20	30		BCEDMN
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C#CCCN1CC[C@@H](N(C)C(=O)C(F)F)C1	ZINC001032850823	711963434	/nfs/dbraw/zinc/96/34/34/711963434.db2.gz	VWKUQKQRZUFBLF-SECBINFHSA-N	0	1	230.258	0.808	20	30		BCEDMN
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C=CCN1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001080587246	712353671	/nfs/dbraw/zinc/35/36/71/712353671.db2.gz	DFOSLLRVRKGXAC-MWLCHTKSSA-N	0	1	248.330	0.954	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1	ZINC001080653839	712354296	/nfs/dbraw/zinc/35/42/96/712354296.db2.gz	RUYDOLXLIMCLRR-GHMZBOCLSA-N	0	1	246.314	0.713	20	30		BCEDMN
CCN1CC[C@H]1CNc1ccc(C#N)nn1	ZINC000712591757	712435502	/nfs/dbraw/zinc/43/55/02/712435502.db2.gz	MHTUFGPQLKITQP-JTQLQIEISA-N	0	1	217.276	0.854	20	30		BCEDMN
C#CCONC(=O)c1[nH]nc2c1CCCC2	ZINC000713734512	712470855	/nfs/dbraw/zinc/47/08/55/712470855.db2.gz	KZMNLJADJNGJOB-UHFFFAOYSA-N	0	1	219.244	0.583	20	30		BCEDMN
C#CCSCCN[C@H](C)c1cn(C)nn1	ZINC000715888299	712540365	/nfs/dbraw/zinc/54/03/65/712540365.db2.gz	DMSACMZYWONAIN-SECBINFHSA-N	0	1	224.333	0.832	20	30		BCEDMN
C=C(Br)CN[C@](C)(CO)COC	ZINC000716885071	712580417	/nfs/dbraw/zinc/58/04/17/712580417.db2.gz	KRJGEIXLARLONG-MRVPVSSYSA-N	0	1	238.125	0.882	20	30		BCEDMN
C[C@@H]1[C@H](NC(=O)c2ccc(C#N)o2)CCN1C	ZINC000719365285	712805858	/nfs/dbraw/zinc/80/58/58/712805858.db2.gz	YQFYNXNWGXPCKQ-PSASIEDQSA-N	0	1	233.271	0.974	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000720443699	712843917	/nfs/dbraw/zinc/84/39/17/712843917.db2.gz	LWEWCTLUVFUSEM-QMMMGPOBSA-N	0	1	248.290	0.455	20	30		BCEDMN
C[C@@H]1CN(c2nccnc2C#N)[C@H](C)CN1C	ZINC001164630590	719153197	/nfs/dbraw/zinc/15/31/97/719153197.db2.gz	JKZCOUTVCKKMGY-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN(CC#N)C(=O)C(C)(C)CN1CCOCC1	ZINC000602085520	349433649	/nfs/dbraw/zinc/43/36/49/349433649.db2.gz	HRFKKBQHZROPHR-UHFFFAOYSA-N	0	1	239.319	0.327	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@H](O)C1CC1	ZINC000160769169	538906119	/nfs/dbraw/zinc/90/61/19/538906119.db2.gz	UTIHAJVXEQEOQV-ONGXEEELSA-N	0	1	226.320	0.380	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000602141528	349451286	/nfs/dbraw/zinc/45/12/86/349451286.db2.gz	OUEKVMIFHUHLKM-LNLATYFQSA-N	0	1	248.261	0.977	20	30		BCEDMN
C=CCN(CCC#N)C(=O)CCCc1nn[nH]n1	ZINC000602151762	349462201	/nfs/dbraw/zinc/46/22/01/349462201.db2.gz	CZZUIQNQWJFZJW-UHFFFAOYSA-N	0	1	248.290	0.451	20	30		BCEDMN
C[C@H](C(=O)N(C)CC(C)(C)C#N)N(C)C	ZINC000602156875	349464847	/nfs/dbraw/zinc/46/48/47/349464847.db2.gz	ZYPHIAKQIHSQEO-SECBINFHSA-N	0	1	211.309	0.945	20	30		BCEDMN
N#C[C@@H](CO)NC(=O)[C@H]1CCN1C1CCCC1	ZINC000602159222	349465417	/nfs/dbraw/zinc/46/54/17/349465417.db2.gz	QUBRAPGGHAQMQV-GXSJLCMTSA-N	0	1	237.303	0.004	20	30		BCEDMN
CCN(C(=O)CCCc1nn[nH]n1)[C@@H](C)C#N	ZINC000602185785	349469018	/nfs/dbraw/zinc/46/90/18/349469018.db2.gz	BMWVIKFPWXOANS-QMMMGPOBSA-N	0	1	236.279	0.283	20	30		BCEDMN
Cc1ncc(C(=O)N2CCN(CCC#N)CC2)[nH]1	ZINC000602209235	349475859	/nfs/dbraw/zinc/47/58/59/349475859.db2.gz	XFNZLJKZBXZLQP-UHFFFAOYSA-N	0	1	247.302	0.390	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCCO	ZINC000302313744	136221508	/nfs/dbraw/zinc/22/15/08/136221508.db2.gz	BLPVUXMFPCABKU-GFCCVEGCSA-N	0	1	241.335	0.355	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C[C@@H]1COCCN1	ZINC000122474970	136222235	/nfs/dbraw/zinc/22/22/35/136222235.db2.gz	UYFOHGVCEMHGMA-VHSXEESVSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C[C@@H]1COCCN1	ZINC000122475180	136222256	/nfs/dbraw/zinc/22/22/56/136222256.db2.gz	UYFOHGVCEMHGMA-NXEZZACHSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NCCN1CC[C@H](O)C1	ZINC000629916813	361774348	/nfs/dbraw/zinc/77/43/48/361774348.db2.gz	WROWAOJCBWSZRL-AAEUAGOBSA-N	0	1	240.347	0.772	20	30		BCEDMN
N#CC1(C(=O)N2CCNCC2)CC2(CC2)C1	ZINC000602420749	349528093	/nfs/dbraw/zinc/52/80/93/349528093.db2.gz	FMKOPMCCHGNQTA-UHFFFAOYSA-N	0	1	219.288	0.502	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCOCC	ZINC000093317710	398243129	/nfs/dbraw/zinc/24/31/29/398243129.db2.gz	KOTHOHVFSXKGKO-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCOCCNC(=O)C[N@H+](C)C1CCC1	ZINC000629979675	361826509	/nfs/dbraw/zinc/82/65/09/361826509.db2.gz	SUYBMXBIFSJIGW-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCOCCNC(=O)CN(C)C1CCC1	ZINC000629979675	361826514	/nfs/dbraw/zinc/82/65/14/361826514.db2.gz	SUYBMXBIFSJIGW-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
Cc1ccc(C#N)c(NCc2nnc[nH]2)n1	ZINC000043395556	178364720	/nfs/dbraw/zinc/36/47/20/178364720.db2.gz	GCXNLCQGKKNAIZ-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1	ZINC000296656166	398267517	/nfs/dbraw/zinc/26/75/17/398267517.db2.gz	JMFLZTNMOHUUET-NSHDSACASA-N	0	1	242.319	0.962	20	30		BCEDMN
C=CCOCCN1CC[C@H](OC(=O)N(C)C)C1	ZINC000296656166	398267519	/nfs/dbraw/zinc/26/75/19/398267519.db2.gz	JMFLZTNMOHUUET-NSHDSACASA-N	0	1	242.319	0.962	20	30		BCEDMN
C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)[O-])C1=O	ZINC000650517722	398278875	/nfs/dbraw/zinc/27/88/75/398278875.db2.gz	VJRZRABVZIIGHZ-VHSXEESVSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)C(=O)[O-])C1=O	ZINC000650517722	398278878	/nfs/dbraw/zinc/27/88/78/398278878.db2.gz	VJRZRABVZIIGHZ-VHSXEESVSA-N	0	1	240.303	0.568	20	30		BCEDMN
CC#CCN1CCN(C[C@H]2CCCO2)CC1	ZINC000607725340	342782267	/nfs/dbraw/zinc/78/22/67/342782267.db2.gz	AQVSMZPJAXINGW-CYBMUJFWSA-N	0	1	222.332	0.806	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)c1[nH]nc2c1CCCC2	ZINC000185856886	538971417	/nfs/dbraw/zinc/97/14/17/538971417.db2.gz	YLVCBMCKLBOULE-VIFPVBQESA-N	0	1	249.314	0.955	20	30		BCEDMN
Cc1cc(CN2C[C@H](O)C[C@H](O)C2)ccc1C#N	ZINC000618594168	342790651	/nfs/dbraw/zinc/79/06/51/342790651.db2.gz	KBLOOOVUMCMKIJ-OKILXGFUSA-N	0	1	246.310	0.794	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H](C)[C@@H](O)C1	ZINC000388232387	539014781	/nfs/dbraw/zinc/01/47/81/539014781.db2.gz	YKLHWABBKIAEIT-NEPJUHHUSA-N	0	1	240.347	0.724	20	30		BCEDMN
Cc1cc(CN2C[C@H](O)[C@@H](O)C2)ccc1C#N	ZINC000489049889	398307617	/nfs/dbraw/zinc/30/76/17/398307617.db2.gz	YJPBABQGESCAJQ-STQMWFEESA-N	0	1	232.283	0.404	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC(=O)NCCN1CCC1	ZINC000329656550	136244558	/nfs/dbraw/zinc/24/45/58/136244558.db2.gz	MOXNJMZETRYIFV-WDEREUQCSA-N	0	1	236.319	0.888	20	30		BCEDMN
Cc1[nH]ncc1CN1CCO[C@@H](C#N)C1	ZINC000093136692	398308782	/nfs/dbraw/zinc/30/87/82/398308782.db2.gz	WPFRHZHDPLRTQI-JTQLQIEISA-N	0	1	206.249	0.443	20	30		BCEDMN
CC(C)(C#N)CN[C@H]1CCCNC(=O)C1	ZINC000602607957	349631141	/nfs/dbraw/zinc/63/11/41/349631141.db2.gz	NTJJLYKVSODMFO-VIFPVBQESA-N	0	1	209.293	0.794	20	30		BCEDMN
CC[C@@H](CC#N)N[C@@H](C)Cn1cncn1	ZINC000602611430	349634573	/nfs/dbraw/zinc/63/45/73/349634573.db2.gz	LMFKFDJOEVJEOR-UWVGGRQHSA-N	0	1	207.281	0.948	20	30		BCEDMN
CO[C@H](CNC[C@@H](C)C#N)[C@H]1CCOC1	ZINC000602608927	349633009	/nfs/dbraw/zinc/63/30/09/349633009.db2.gz	ZUNFFLUDOVYPED-GARJFASQSA-N	0	1	212.293	0.787	20	30		BCEDMN
CC[C@@H](CC#N)N[C@H]1CCCNC(=O)C1	ZINC000602610215	349633632	/nfs/dbraw/zinc/63/36/32/349633632.db2.gz	GUMXQSLNGRRVQN-UWVGGRQHSA-N	0	1	209.293	0.937	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](COC)OC	ZINC000233869651	342893339	/nfs/dbraw/zinc/89/33/39/342893339.db2.gz	LXUURWVZFGKKAB-UWVGGRQHSA-N	0	1	200.282	0.930	20	30		BCEDMN
C[C@@H](NC(=O)c1cnccc1C#N)c1nnc[nH]1	ZINC000343038730	342907019	/nfs/dbraw/zinc/90/70/19/342907019.db2.gz	UEJMAZQDXXXHRM-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
Cn1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)nn1	ZINC000329671212	136246230	/nfs/dbraw/zinc/24/62/30/136246230.db2.gz	NDJYUDPKJYUSML-MRVPVSSYSA-N	0	1	246.274	0.920	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCN(C(=O)CO)CC1	ZINC000602652673	349660044	/nfs/dbraw/zinc/66/00/44/349660044.db2.gz	JEBKHFORCOLFGO-NSHDSACASA-N	0	1	239.319	0.063	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1nccc(C#N)n1	ZINC000235686072	398339566	/nfs/dbraw/zinc/33/95/66/398339566.db2.gz	UWLNGKVBAKYMFZ-VIFPVBQESA-N	0	1	217.276	0.489	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CO	ZINC000158876928	398341464	/nfs/dbraw/zinc/34/14/64/398341464.db2.gz	ZFBOACIEPCUGEP-LLVKDONJSA-N	0	1	228.336	0.724	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(C)c(C(=O)OC)[nH]1	ZINC000602720288	349712338	/nfs/dbraw/zinc/71/23/38/349712338.db2.gz	AMGYMMQSSCAUPN-SECBINFHSA-N	0	1	238.287	0.746	20	30		BCEDMN
Cc1cn[nH]c1CN1CCN(CCC#N)CC1	ZINC000602749232	349715857	/nfs/dbraw/zinc/71/58/57/349715857.db2.gz	ZEUOVGKEJIFCHJ-UHFFFAOYSA-N	0	1	233.319	0.749	20	30		BCEDMN
N#Cc1cccc(CNCC[N@H+]2CC[C@H](O)C2)n1	ZINC000602728602	349716306	/nfs/dbraw/zinc/71/63/06/349716306.db2.gz	BJPLBVOEYPYAAH-ZDUSSCGKSA-N	0	1	246.314	0.109	20	30		BCEDMN
CCc1nc(C#N)cc(NCCc2nc[nH]n2)n1	ZINC000308273625	346915448	/nfs/dbraw/zinc/91/54/48/346915448.db2.gz	INBWMMUYCFYBSM-UHFFFAOYSA-N	0	1	243.274	0.683	20	30		BCEDMN
N#CCCCN1CCN(Cc2nnc[nH]2)CC1	ZINC000602862759	349774648	/nfs/dbraw/zinc/77/46/48/349774648.db2.gz	FGUQZLMKNNSCPZ-UHFFFAOYSA-N	0	1	234.307	0.226	20	30		BCEDMN
C[C@@H]1CN(Cc2c[nH]nn2)C[C@H](C)N1CC#N	ZINC000602854271	349788112	/nfs/dbraw/zinc/78/81/12/349788112.db2.gz	OCCWNQWAYDXLHW-AOOOYVTPSA-N	0	1	234.307	0.223	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2nc(C)cc(C)n12	ZINC000352465726	136263883	/nfs/dbraw/zinc/26/38/83/136263883.db2.gz	NREZMPBSSZTEMU-LLVKDONJSA-N	0	1	246.314	0.983	20	30		BCEDMN
C=CCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000352542924	136264270	/nfs/dbraw/zinc/26/42/70/136264270.db2.gz	ABDDIQAQXJSDOG-NSHDSACASA-N	0	1	246.376	0.776	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)n1cc([C@@H](C)NC)nn1	ZINC000640883319	362069239	/nfs/dbraw/zinc/06/92/39/362069239.db2.gz	FXXAIJILYKEGSY-RKDXNWHRSA-N	0	1	237.307	0.422	20	30		BCEDMN
N#Cc1cnnc(N2CCN(CCCF)CC2)c1	ZINC000402796790	343111864	/nfs/dbraw/zinc/11/18/64/343111864.db2.gz	NKMABSVIYCUQRB-UHFFFAOYSA-N	0	1	249.293	0.830	20	30		BCEDMN
C=CCNC(=O)CN(CC)[C@H]1CCOC1	ZINC000361578347	136268642	/nfs/dbraw/zinc/26/86/42/136268642.db2.gz	QXFKPGCBOBGNBF-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(CC)CCOC	ZINC000270804633	187237102	/nfs/dbraw/zinc/23/71/02/187237102.db2.gz	VDIMJTRFCROQDN-SNVBAGLBSA-N	0	1	212.293	0.093	20	30		BCEDMN
N#Cc1nccc(N2CCN(CCCF)CC2)n1	ZINC000402833406	343147909	/nfs/dbraw/zinc/14/79/09/343147909.db2.gz	LUWBIDGHUOXFDJ-UHFFFAOYSA-N	0	1	249.293	0.830	20	30		BCEDMN
C[C@H](CC#N)NCCC(=O)N(C)CCC#N	ZINC000602869253	349799811	/nfs/dbraw/zinc/79/98/11/349799811.db2.gz	NATAHHFQRSVMPL-SNVBAGLBSA-N	0	1	222.292	0.640	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCc3[nH]nnc3C2)[nH]1	ZINC000343293922	343230663	/nfs/dbraw/zinc/23/06/63/343230663.db2.gz	ILNIEOASSPYUBE-UHFFFAOYSA-N	0	1	242.242	0.203	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)OC[C@H]2C1	ZINC000366300290	136280566	/nfs/dbraw/zinc/28/05/66/136280566.db2.gz	YSBSQYFOXOTVJK-GHMZBOCLSA-N	0	1	240.303	0.450	20	30		BCEDMN
COC(=O)[C@]1(NC(=O)C(C)C#N)CCSC1	ZINC000340405716	136289246	/nfs/dbraw/zinc/28/92/46/136289246.db2.gz	KZUQNMYKIROONO-XVKPBYJWSA-N	0	1	242.300	0.311	20	30		BCEDMN
N#CCCCNC(=O)CCCCc1cn[nH]n1	ZINC000274351127	136285024	/nfs/dbraw/zinc/28/50/24/136285024.db2.gz	DEAJBGVPCVNGLG-UHFFFAOYSA-N	0	1	235.291	0.937	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1	ZINC000285023505	136287302	/nfs/dbraw/zinc/28/73/02/136287302.db2.gz	HQDSTCPWWQRAIY-MRVPVSSYSA-N	0	1	245.286	0.282	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1	ZINC000285023505	136287303	/nfs/dbraw/zinc/28/73/03/136287303.db2.gz	HQDSTCPWWQRAIY-MRVPVSSYSA-N	0	1	245.286	0.282	20	30		BCEDMN
C#CCNC(=O)C(C#N)c1nc(C)cs1	ZINC000122048202	166183670	/nfs/dbraw/zinc/18/36/70/166183670.db2.gz	TYGFRGYUMVTUJX-QMMMGPOBSA-N	0	1	219.269	0.808	20	30		BCEDMN
N#Cc1nccc(NCCCc2nc[nH]n2)n1	ZINC000310176471	343370036	/nfs/dbraw/zinc/37/00/36/343370036.db2.gz	VREPUCZHCDOHAC-UHFFFAOYSA-N	0	1	229.247	0.511	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC2(CCO2)CC1	ZINC000367091177	136343150	/nfs/dbraw/zinc/34/31/50/136343150.db2.gz	HJIVRIXLPDVOHY-LLVKDONJSA-N	0	1	236.315	0.379	20	30		BCEDMN
CCc1nc2n(n1)C[C@H](NC(=O)N1CCC1)CC2	ZINC000329330449	136365215	/nfs/dbraw/zinc/36/52/15/136365215.db2.gz	ZAAZTEYZZKYWND-SECBINFHSA-N	0	1	249.318	0.775	20	30		BCEDMN
CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC1)CC2	ZINC000329330450	136365306	/nfs/dbraw/zinc/36/53/06/136365306.db2.gz	ZAAZTEYZZKYWND-VIFPVBQESA-N	0	1	249.318	0.775	20	30		BCEDMN
COCCN(CCC#N)C(=O)C(C)C#N	ZINC000070846649	343513405	/nfs/dbraw/zinc/51/34/05/343513405.db2.gz	FPPFKAGGINYYIF-SECBINFHSA-N	0	1	209.249	0.535	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1CC1(C#N)CC1	ZINC000602899703	349815966	/nfs/dbraw/zinc/81/59/66/349815966.db2.gz	RCEPWHBYPCSLHS-ZJUUUORDSA-N	0	1	210.277	0.108	20	30		BCEDMN
CCc1nnc(NC(=O)CSCC#N)[nH]1	ZINC000479129792	529743276	/nfs/dbraw/zinc/74/32/76/529743276.db2.gz	KGCMRJLYHAOBES-UHFFFAOYSA-N	0	1	225.277	0.562	20	30		BCEDMN
CCc1n[nH]c(NC(=O)CSCC#N)n1	ZINC000479129792	529743277	/nfs/dbraw/zinc/74/32/77/529743277.db2.gz	KGCMRJLYHAOBES-UHFFFAOYSA-N	0	1	225.277	0.562	20	30		BCEDMN
C=CCN1CCN(CC=C)[C@@H](CCO)C1	ZINC000570269805	323054687	/nfs/dbraw/zinc/05/46/87/323054687.db2.gz	DWIABLLAEAAIRM-LBPRGKRZSA-N	0	1	210.321	0.727	20	30		BCEDMN
C=CCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000634695305	343622585	/nfs/dbraw/zinc/62/25/85/343622585.db2.gz	SDWXPRVRCRKOMM-CMPLNLGQSA-N	0	1	243.303	0.753	20	30		BCEDMN
CCN1CCN(c2cnc(C#N)cn2)C[C@@H]1C	ZINC000071179107	343626254	/nfs/dbraw/zinc/62/62/54/343626254.db2.gz	ADAMGVBMOYHJPX-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
CC(C)(C#N)CCN1CCNC(=O)CC1	ZINC000087595582	343654903	/nfs/dbraw/zinc/65/49/03/343654903.db2.gz	PWFXYNHODKJTEP-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
CN(CCC(=O)NC(N)=O)[C@@H]1CCC[C@H]1C#N	ZINC000602976973	349842281	/nfs/dbraw/zinc/84/22/81/349842281.db2.gz	VXEGJABSQKJYSE-DTWKUNHWSA-N	0	1	238.291	0.195	20	30		BCEDMN
C[C@@H]1CO[C@H](CO)CN1CCCCC#N	ZINC000088092314	343704769	/nfs/dbraw/zinc/70/47/69/343704769.db2.gz	KFCSHAYQKZSWDT-MNOVXSKESA-N	0	1	212.293	0.762	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000603018478	349858442	/nfs/dbraw/zinc/85/84/42/349858442.db2.gz	ZXZDOPKWXZPWJO-VXGBXAGGSA-N	0	1	240.347	0.986	20	30		BCEDMN
Cn1cc(CN[C@@H]2CCCN(C)C2=O)cc1C#N	ZINC000334191337	343831623	/nfs/dbraw/zinc/83/16/23/343831623.db2.gz	OGHVHQAKSRYMNT-GFCCVEGCSA-N	0	1	246.314	0.607	20	30		BCEDMN
N#CC1(Cn2cc(CNC3CC3)nn2)CC1	ZINC000603227908	349890074	/nfs/dbraw/zinc/89/00/74/349890074.db2.gz	UEWXBMOUVFFBMM-UHFFFAOYSA-N	0	1	217.276	0.834	20	30		BCEDMN
C#CCSCCNCc1nccn1C	ZINC000164317170	166202670	/nfs/dbraw/zinc/20/26/70/166202670.db2.gz	CUHOZYWYHCJHAT-UHFFFAOYSA-N	0	1	209.318	0.876	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CNCCO1)C1CC1	ZINC000131293759	344230000	/nfs/dbraw/zinc/23/00/00/344230000.db2.gz	VRYZCJIWRBDFOT-JTQLQIEISA-N	0	1	210.277	0.152	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2cnccn12	ZINC000289822960	323069561	/nfs/dbraw/zinc/06/95/61/323069561.db2.gz	MELOPZCXBGXMHZ-SECBINFHSA-N	0	1	218.260	0.366	20	30		BCEDMN
N#CC1(CNC[C@H](O)CC2(C#N)CC2)CC1	ZINC000600733685	344364684	/nfs/dbraw/zinc/36/46/84/344364684.db2.gz	AXRCLYUNRSSUNX-SNVBAGLBSA-N	0	1	219.288	0.935	20	30		BCEDMN
C=CCC1(NC(=O)CN(C)C)CCOCC1	ZINC000618247337	344433030	/nfs/dbraw/zinc/43/30/30/344433030.db2.gz	SHLKSZVTUUSVHX-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
CN(CC(=O)NCC1(C#N)CC1)C1CCC1	ZINC000600826483	344381515	/nfs/dbraw/zinc/38/15/15/344381515.db2.gz	OCSVCEOCGKCREW-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
CC#CCCNC(=O)N1CCN[C@@H](C)C1	ZINC000335137991	347048536	/nfs/dbraw/zinc/04/85/36/347048536.db2.gz	JXJJYJOALFEHDC-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
CCN(CCC(=O)N(C)C)C[C@H](C)C#N	ZINC000042323706	344450559	/nfs/dbraw/zinc/45/05/59/344450559.db2.gz	FTVKIARDHPQARW-SNVBAGLBSA-N	0	1	211.309	0.946	20	30		BCEDMN
COC[C@H](O)CNCc1ccc(C#N)o1	ZINC000135486412	344473404	/nfs/dbraw/zinc/47/34/04/344473404.db2.gz	WFNTXQGOVGARKI-MRVPVSSYSA-N	0	1	210.233	0.248	20	30		BCEDMN
C=CCCCCN1CCO[C@@H](CC(N)=O)C1	ZINC000626076002	344722527	/nfs/dbraw/zinc/72/25/27/344722527.db2.gz	BSKUTUOCWZOXIM-NSHDSACASA-N	0	1	226.320	0.919	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@H]1CCCCN1C	ZINC000259843575	344694166	/nfs/dbraw/zinc/69/41/66/344694166.db2.gz	FMKWJLCCPVHXPN-VHSXEESVSA-N	0	1	209.293	0.889	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CNC[C@H](C)C#N	ZINC000562994080	323078707	/nfs/dbraw/zinc/07/87/07/323078707.db2.gz	UTTHMCSAQCIUIJ-OUAUKWLOSA-N	0	1	230.308	0.148	20	30		BCEDMN
C#CCCN1CCN(CCCC#N)CC1	ZINC000119804619	344865454	/nfs/dbraw/zinc/86/54/54/344865454.db2.gz	UDLGSSYFFUZURA-UHFFFAOYSA-N	0	1	205.305	0.931	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)N(C)CCC#N	ZINC000121403830	344924094	/nfs/dbraw/zinc/92/40/94/344924094.db2.gz	WNPKHVZBVOVSMM-SNVBAGLBSA-N	0	1	209.293	0.865	20	30		BCEDMN
CC[N@@H+](CCC#N)CC1(O)CCOCC1	ZINC000154256003	345024628	/nfs/dbraw/zinc/02/46/28/345024628.db2.gz	DCUAYBNYYVGEEA-UHFFFAOYSA-N	0	1	212.293	0.763	20	30		BCEDMN
CCN(CCC#N)CC1(O)CCOCC1	ZINC000154256003	345024632	/nfs/dbraw/zinc/02/46/32/345024632.db2.gz	DCUAYBNYYVGEEA-UHFFFAOYSA-N	0	1	212.293	0.763	20	30		BCEDMN
CC1(C#N)CCN([C@H]2COC[C@@H]2O)CC1	ZINC000361348232	345120028	/nfs/dbraw/zinc/12/00/28/345120028.db2.gz	IRYCKRZUTVIICT-UWVGGRQHSA-N	0	1	210.277	0.372	20	30		BCEDMN
CC1(C#N)CCN([C@@H]2COC[C@H]2O)CC1	ZINC000361348231	345120167	/nfs/dbraw/zinc/12/01/67/345120167.db2.gz	IRYCKRZUTVIICT-NXEZZACHSA-N	0	1	210.277	0.372	20	30		BCEDMN
CC(C)(C#N)CCN1CCn2c(n[nH]c2=O)C1	ZINC000347233163	534987644	/nfs/dbraw/zinc/98/76/44/534987644.db2.gz	QILRUAWYGASKNC-UHFFFAOYSA-N	0	1	235.291	0.739	20	30		BCEDMN
N#CCC(=O)Nc1ccc2[nH]nnc2c1	ZINC000082275168	345500756	/nfs/dbraw/zinc/50/07/56/345500756.db2.gz	AONDTKCVAURMPB-UHFFFAOYSA-N	0	1	201.189	0.810	20	30		BCEDMN
N#Cc1csc(CNC[C@H](O)C2CC2)n1	ZINC000308860723	187307015	/nfs/dbraw/zinc/30/70/15/187307015.db2.gz	AEXKTYJNZHQTHS-VIFPVBQESA-N	0	1	223.301	0.875	20	30		BCEDMN
CC(C)(CCC#N)CNC(=O)c1ncn[nH]1	ZINC000360421024	535004775	/nfs/dbraw/zinc/00/47/75/535004775.db2.gz	BSQUDXLZRWRHAA-UHFFFAOYSA-N	0	1	221.264	0.864	20	30		BCEDMN
CC(C)(CCC#N)CNC(=O)c1nc[nH]n1	ZINC000360421024	535004778	/nfs/dbraw/zinc/00/47/78/535004778.db2.gz	BSQUDXLZRWRHAA-UHFFFAOYSA-N	0	1	221.264	0.864	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CCCc1nn[nH]n1	ZINC000635576063	345846195	/nfs/dbraw/zinc/84/61/95/345846195.db2.gz	KPHMXVOOBUNPEH-MRVPVSSYSA-N	0	1	223.280	0.603	20	30		BCEDMN
CN(C(=O)Cc1ncn[nH]1)C1(C#N)CCC1	ZINC000601014373	345994541	/nfs/dbraw/zinc/99/45/41/345994541.db2.gz	ZXQCJGXKLVJOSA-UHFFFAOYSA-N	0	1	219.248	0.252	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2CSC2)CC1	ZINC000601042978	346004802	/nfs/dbraw/zinc/00/48/02/346004802.db2.gz	PGMCRYNBTHTCSN-UHFFFAOYSA-N	0	1	239.344	0.454	20	30		BCEDMN
C[C@H](CCC#N)N1CCN2CCOC[C@@H]2C1	ZINC000563221020	323104522	/nfs/dbraw/zinc/10/45/22/323104522.db2.gz	QLDPUZZABBKWQK-NEPJUHHUSA-N	0	1	223.320	0.695	20	30		BCEDMN
C#CCONC(=O)[C@H]1COc2ccccc2C1	ZINC000291289010	346348187	/nfs/dbraw/zinc/34/81/87/346348187.db2.gz	PKSZYLGNMIDKKF-LLVKDONJSA-N	0	1	231.251	0.919	20	30		BCEDMN
CC#CC[C@H](CO)NCc1snnc1C	ZINC000641767604	362702413	/nfs/dbraw/zinc/70/24/13/362702413.db2.gz	MPLLGWWAPAAUDQ-SECBINFHSA-N	0	1	225.317	0.710	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1c(C)nnn1CC	ZINC000641767882	362702681	/nfs/dbraw/zinc/70/26/81/362702681.db2.gz	RVZCJCCQDVXQRJ-NSHDSACASA-N	0	1	236.319	0.470	20	30		BCEDMN
C=CCCNC(=O)CCCc1nn[nH]n1	ZINC000636170471	346343448	/nfs/dbraw/zinc/34/34/48/346343448.db2.gz	SZFZGGRLHWJWIC-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
CCSCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000575059233	346468408	/nfs/dbraw/zinc/46/84/08/346468408.db2.gz	MBJXNWXVWLOFQS-UHFFFAOYSA-N	0	1	225.273	0.161	20	30		BCEDMN
C[C@@H](C[NH+](C)C)NC(=O)c1cc([O-])cc(C#N)c1	ZINC000588189742	346645545	/nfs/dbraw/zinc/64/55/45/346645545.db2.gz	UFLFEAPSBTZNEB-VIFPVBQESA-N	0	1	247.298	0.944	20	30		BCEDMN
Cc1nc([C@H](C)Nc2cncc(C#N)n2)n[nH]1	ZINC000401377471	346647388	/nfs/dbraw/zinc/64/73/88/346647388.db2.gz	JSSRCYBIVMYEIA-LURJTMIESA-N	0	1	229.247	0.948	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](CC(N)=O)C2)o1	ZINC000589209789	346674474	/nfs/dbraw/zinc/67/44/74/346674474.db2.gz	UBQFHUOAHBWSFI-VIFPVBQESA-N	0	1	233.271	0.849	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](CC(N)=O)C2)o1	ZINC000589209787	346674495	/nfs/dbraw/zinc/67/44/95/346674495.db2.gz	UBQFHUOAHBWSFI-SECBINFHSA-N	0	1	233.271	0.849	20	30		BCEDMN
N#Cc1cccc(CNC[C@H]2C[NH2+]CCO2)c1	ZINC000580649696	365845207	/nfs/dbraw/zinc/84/52/07/365845207.db2.gz	RMYOFAUCAMOKNM-CYBMUJFWSA-N	0	1	231.299	0.636	20	30		BCEDMN
CC(=O)NCCN(C)CC1(CC#N)CC1	ZINC000308129117	346689815	/nfs/dbraw/zinc/68/98/15/346689815.db2.gz	BASMMVDECJDUKH-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)N1CC(C#N)C1	ZINC000590089533	346772356	/nfs/dbraw/zinc/77/23/56/346772356.db2.gz	POJPJMQESKERQV-UHFFFAOYSA-N	0	1	245.348	0.113	20	30		BCEDMN
N#C[C@H](NC(=O)Cc1nnc[nH]1)C1CCCCC1	ZINC000601278062	347138616	/nfs/dbraw/zinc/13/86/16/347138616.db2.gz	OHNJTTLGIDVINZ-JTQLQIEISA-N	0	1	247.302	0.936	20	30		BCEDMN
C#C[C@H](C)N(C)CCN1C(=O)CCC1=O	ZINC000491783399	347191634	/nfs/dbraw/zinc/19/16/34/347191634.db2.gz	QZVKZFFZYZODEE-VIFPVBQESA-N	0	1	208.261	0.089	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000186080207	347224620	/nfs/dbraw/zinc/22/46/20/347224620.db2.gz	YRMPRYVNJPWICN-IUCAKERBSA-N	0	1	234.303	0.970	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CC1(CO)CC1	ZINC000186818485	347241251	/nfs/dbraw/zinc/24/12/51/347241251.db2.gz	NGRWQFLSQDKGEV-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
N#CCNC(=O)c1[nH]nc2c1CCCCC2	ZINC000190245294	347324811	/nfs/dbraw/zinc/32/48/11/347324811.db2.gz	PYZWFBUFDUHROS-UHFFFAOYSA-N	0	1	218.260	0.932	20	30		BCEDMN
N#CC1CN(C(=O)[C@@H]2CCCN2C2CC2)C1	ZINC000590482295	347354645	/nfs/dbraw/zinc/35/46/45/347354645.db2.gz	JSCNUJLUMYHMSQ-NSHDSACASA-N	0	1	219.288	0.595	20	30		BCEDMN
CN(CCC#N)c1ncnc2nc[nH]c21	ZINC000019834354	347360548	/nfs/dbraw/zinc/36/05/48/347360548.db2.gz	XYUGPIXQNDQCII-UHFFFAOYSA-N	0	1	202.221	0.703	20	30		BCEDMN
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1nccc(C#N)n1	ZINC000590696027	347492919	/nfs/dbraw/zinc/49/29/19/347492919.db2.gz	ISAWHNKYPIKGQA-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2nccc(C#N)n2)CCN1C	ZINC000590696027	347492929	/nfs/dbraw/zinc/49/29/29/347492929.db2.gz	ISAWHNKYPIKGQA-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nccc(C#N)n1	ZINC000590696028	347493024	/nfs/dbraw/zinc/49/30/24/347493024.db2.gz	ISAWHNKYPIKGQA-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2nccc(C#N)n2)CCN1C	ZINC000590696028	347493027	/nfs/dbraw/zinc/49/30/27/347493027.db2.gz	ISAWHNKYPIKGQA-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN(C)[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1O	ZINC000590599011	347479434	/nfs/dbraw/zinc/47/94/34/347479434.db2.gz	CTXWPHVBSYVFGX-RYUDHWBXSA-N	0	1	239.363	0.923	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(Cc2c[nH]nn2)CC1	ZINC000590709357	347498766	/nfs/dbraw/zinc/49/87/66/347498766.db2.gz	LAEYLIUZKGITTH-LBPRGKRZSA-N	0	1	248.334	0.470	20	30		BCEDMN
C=CCN1CC[C@@H](N2C[C@H](O)C3(CC3)C2)C1=O	ZINC000334346358	347588194	/nfs/dbraw/zinc/58/81/94/347588194.db2.gz	VXHXPFSAWVAVAM-MNOVXSKESA-N	0	1	236.315	0.230	20	30		BCEDMN
C[C@@H](C(=O)NCC(C)(C)CC#N)N(C)C	ZINC000590916468	347588240	/nfs/dbraw/zinc/58/82/40/347588240.db2.gz	QVTCUXWWMYMYIT-VIFPVBQESA-N	0	1	211.309	0.993	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](n2ccnc2)C1	ZINC000591083573	347616577	/nfs/dbraw/zinc/61/65/77/347616577.db2.gz	YMGPXUZLUCXHJL-GFCCVEGCSA-N	0	1	248.330	0.822	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H](n2ccnc2)C1	ZINC000591083574	347616598	/nfs/dbraw/zinc/61/65/98/347616598.db2.gz	YMGPXUZLUCXHJL-LBPRGKRZSA-N	0	1	248.330	0.822	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CNCC(C)(C)C#N	ZINC000591759621	347692760	/nfs/dbraw/zinc/69/27/60/347692760.db2.gz	QCKNYRNOOGQVHO-WDEREUQCSA-N	0	1	244.335	0.538	20	30		BCEDMN
N#CC[C@]1(O)CC[N@@H+](CCc2cn[nH]c2)C1	ZINC000592150157	347740643	/nfs/dbraw/zinc/74/06/43/347740643.db2.gz	BGOJTAVFQJWRHJ-NSHDSACASA-N	0	1	220.276	0.303	20	30		BCEDMN
Cc1nn(C)c(C)c1CN1CC[C@](O)(CC#N)C1	ZINC000592150531	347741739	/nfs/dbraw/zinc/74/17/39/347741739.db2.gz	GCPBURQMMBQDOT-CYBMUJFWSA-N	0	1	248.330	0.887	20	30		BCEDMN
CC(C)OC(=O)CCN1CC[C@@](O)(CC#N)C1	ZINC000592150914	347742183	/nfs/dbraw/zinc/74/21/83/347742183.db2.gz	JPYUMSBFAHMBNY-LBPRGKRZSA-N	0	1	240.303	0.679	20	30		BCEDMN
CCn1cc(CCN2CC[C@@](O)(CC#N)C2)cn1	ZINC000592152892	347743695	/nfs/dbraw/zinc/74/36/95/347743695.db2.gz	GJXRZTAHTFPTIE-ZDUSSCGKSA-N	0	1	248.330	0.796	20	30		BCEDMN
Cc1cc(C#N)ccc1Cn1nnnc1CN	ZINC000592172917	347758422	/nfs/dbraw/zinc/75/84/22/347758422.db2.gz	JKAGGHOUBFOVIM-UHFFFAOYSA-N	0	1	228.259	0.360	20	30		BCEDMN
N#CCSCCCN1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC000593096182	347854242	/nfs/dbraw/zinc/85/42/42/347854242.db2.gz	CVRHECJHRULEJS-YHAQOWFVSA-N	0	1	244.385	0.838	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H]2C[C@H]1C[S@]2=O	ZINC000593098611	347856255	/nfs/dbraw/zinc/85/62/55/347856255.db2.gz	YEJMMSKXAWPJIR-BQVMBELUSA-N	0	1	229.345	0.519	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCc1cc(C)[nH]n1	ZINC000593469788	347900763	/nfs/dbraw/zinc/90/07/63/347900763.db2.gz	ZZJJHJYCICZIOH-MRVPVSSYSA-N	0	1	206.249	0.884	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000593547070	347909881	/nfs/dbraw/zinc/90/98/81/347909881.db2.gz	RRWBDIKMVZACBS-DTWKUNHWSA-N	0	1	248.290	0.455	20	30		BCEDMN
C[C@H]1C[C@]1(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000577383427	365940226	/nfs/dbraw/zinc/94/02/26/365940226.db2.gz	WJEKUEVIZIBCIX-GZMMTYOYSA-N	0	1	233.275	0.403	20	30		BCEDMN
CCOC(=O)c1c[nH]c(NC(=O)[C@H](C)C#N)n1	ZINC000593900850	347966509	/nfs/dbraw/zinc/96/65/09/347966509.db2.gz	GVNPACBIPSRXAT-ZCFIWIBFSA-N	0	1	236.231	0.685	20	30		BCEDMN
CCOC(=O)COCCN[C@@H](CC)CC#N	ZINC000594008712	347984769	/nfs/dbraw/zinc/98/47/69/347984769.db2.gz	ZPPSKQQPMPWUQQ-JTQLQIEISA-N	0	1	228.292	0.848	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC000594342876	348036932	/nfs/dbraw/zinc/03/69/32/348036932.db2.gz	MKXUKAPMRAZNKY-CMPLNLGQSA-N	0	1	239.294	0.792	20	30		BCEDMN
CO[C@H](CN[C@@H](C)CC#N)[C@H]1CCOC1	ZINC000594710459	348104351	/nfs/dbraw/zinc/10/43/51/348104351.db2.gz	LGGHOBGSUXWEOR-GARJFASQSA-N	0	1	212.293	0.930	20	30		BCEDMN
CCOC(=O)CC[C@@H](O)CN1CC(CC#N)C1	ZINC000594716769	348106256	/nfs/dbraw/zinc/10/62/56/348106256.db2.gz	VLQHRNWVZMDFLZ-LLVKDONJSA-N	0	1	240.303	0.536	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(C[C@@H]2CC[C@H]3C[C@H]3C2)c1=O	ZINC000594914566	348126797	/nfs/dbraw/zinc/12/67/97/348126797.db2.gz	XMEBHZHFFRUMON-KXUCPTDWSA-N	0	1	245.282	0.844	20	30		BCEDMN
C=CCN(C)[C@H]1CCN(CCC(=O)OC)C1=O	ZINC000595444785	348251378	/nfs/dbraw/zinc/25/13/78/348251378.db2.gz	FLWLEYMIAIOLBO-JTQLQIEISA-N	0	1	240.303	0.268	20	30		BCEDMN
C[C@@H](CCC#N)[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000595548390	348268747	/nfs/dbraw/zinc/26/87/47/348268747.db2.gz	XMUKWONQHIDUNR-ZETCQYMHSA-N	0	1	210.237	0.899	20	30		BCEDMN
C[C@@H](CCC#N)[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000595548390	348268749	/nfs/dbraw/zinc/26/87/49/348268749.db2.gz	XMUKWONQHIDUNR-ZETCQYMHSA-N	0	1	210.237	0.899	20	30		BCEDMN
CN(CCC#N)C(=O)CC[N@H+](C)Cc1cnc[nH]1	ZINC000595593717	348278761	/nfs/dbraw/zinc/27/87/61/348278761.db2.gz	YIAIKGXMRVWQSI-UHFFFAOYSA-N	0	1	249.318	0.604	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)Cc1cnc[nH]1	ZINC000595595079	348282876	/nfs/dbraw/zinc/28/28/76/348282876.db2.gz	CCBFCUINERWZJD-UHFFFAOYSA-N	0	1	249.318	0.604	20	30		BCEDMN
N#CC[C@H]1CCCN(CCCS(N)(=O)=O)C1	ZINC000595613353	348288255	/nfs/dbraw/zinc/28/82/55/348288255.db2.gz	BMSROKUPQMCPJJ-SNVBAGLBSA-N	0	1	245.348	0.291	20	30		BCEDMN
C=CC[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000595659441	348298879	/nfs/dbraw/zinc/29/88/79/348298879.db2.gz	MJCFNCGOCNOCCF-NSHDSACASA-N	0	1	221.304	0.914	20	30		BCEDMN
C=C(C)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C	ZINC000419326004	192122244	/nfs/dbraw/zinc/12/22/44/192122244.db2.gz	LMSSAQCLUDDGQQ-VXGBXAGGSA-N	0	1	212.337	0.949	20	30		BCEDMN
CCc1nc([C@H](C)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000595315665	490159280	/nfs/dbraw/zinc/15/92/80/490159280.db2.gz	BGTSTLPPYRJSBS-DTWKUNHWSA-N	0	1	235.291	0.652	20	30		BCEDMN
CN1CCN([C@H]2CC[C@@H](C#N)C2)CCC1=O	ZINC000595772823	348337231	/nfs/dbraw/zinc/33/72/31/348337231.db2.gz	ODTCMJAYCMAZAX-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000595864070	348383709	/nfs/dbraw/zinc/38/37/09/348383709.db2.gz	OPHRFDOKCSRQJU-VHSXEESVSA-N	0	1	237.303	0.074	20	30		BCEDMN
C=C[C@H](CO)NCC[S@@](=O)c1ccccc1	ZINC000595864353	348384619	/nfs/dbraw/zinc/38/46/19/348384619.db2.gz	ZNIREICTXQZMGD-BDJLRTHQSA-N	0	1	239.340	0.931	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)C[C@H]2COCCN2)C1	ZINC000595982041	348417788	/nfs/dbraw/zinc/41/77/88/348417788.db2.gz	RPWDQKRXMSKVQA-JQWIXIFHSA-N	0	1	237.303	0.127	20	30		BCEDMN
C[C@@]1(C#N)CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1	ZINC000595904980	348396149	/nfs/dbraw/zinc/39/61/49/348396149.db2.gz	NLWVMYLXCYYZKJ-RYUDHWBXSA-N	0	1	235.331	0.743	20	30		BCEDMN
C=C(C)CN1CCC[C@H]1C(=O)NCC(=O)OC	ZINC000419341714	192126068	/nfs/dbraw/zinc/12/60/68/192126068.db2.gz	AWLKQRWKYIKXAB-JTQLQIEISA-N	0	1	240.303	0.316	20	30		BCEDMN
C[C@@H]1CN(c2cc(C#N)cnn2)[C@@H](C)CN1C	ZINC000596177126	348462432	/nfs/dbraw/zinc/46/24/32/348462432.db2.gz	DZFREFOFKXKWHA-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(c2cc(C#N)cnn2)[C@H](C)CN1C	ZINC000596177123	348462511	/nfs/dbraw/zinc/46/25/11/348462511.db2.gz	DZFREFOFKXKWHA-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)C1(N(C)C)CC1	ZINC000596894751	348630934	/nfs/dbraw/zinc/63/09/34/348630934.db2.gz	PNUGNFAYQIGTPN-VIFPVBQESA-N	0	1	209.293	0.699	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000596921901	348634557	/nfs/dbraw/zinc/63/45/57/348634557.db2.gz	YADIFVFAYAJDLP-SECBINFHSA-N	0	1	232.287	0.887	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597201360	348675830	/nfs/dbraw/zinc/67/58/30/348675830.db2.gz	OLGUMDRIGVKYIK-HTQZYQBOSA-N	0	1	233.275	0.500	20	30		BCEDMN
Cc1nc(CC(=O)N[C@@H](C#N)C(C)C)n[nH]1	ZINC000597187689	348684538	/nfs/dbraw/zinc/68/45/38/348684538.db2.gz	ICCOLVLHKWQURN-QMMMGPOBSA-N	0	1	221.264	0.320	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000597425625	348739610	/nfs/dbraw/zinc/73/96/10/348739610.db2.gz	GOOJEUQACAPDGT-RKDXNWHRSA-N	0	1	248.290	0.455	20	30		BCEDMN
Cc1cc(CNC(=O)[C@@H](C)CC#N)n[nH]1	ZINC000597230992	348698861	/nfs/dbraw/zinc/69/88/61/348698861.db2.gz	IGIBBNBONLLUTR-ZETCQYMHSA-N	0	1	206.249	0.884	20	30		BCEDMN
C[C@H](CC#N)C(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000597267237	348703242	/nfs/dbraw/zinc/70/32/42/348703242.db2.gz	ZFEHZDGOPGKROO-MRVPVSSYSA-N	0	1	248.290	0.635	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000597505155	348745747	/nfs/dbraw/zinc/74/57/47/348745747.db2.gz	NQMBQOCZIQNVGW-YUMQZZPRSA-N	0	1	236.279	0.311	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N(C)Cc1cnc[nH]1	ZINC000597864127	348836024	/nfs/dbraw/zinc/83/60/24/348836024.db2.gz	NOUUPINUNQXICC-QMMMGPOBSA-N	0	1	206.249	0.918	20	30		BCEDMN
CCN(C(=O)[C@H]1CCCN1C)[C@@H](C)C#N	ZINC000598359875	348945270	/nfs/dbraw/zinc/94/52/70/348945270.db2.gz	NLDZAKBIVQDSHW-VHSXEESVSA-N	0	1	209.293	0.841	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1ccc(C#N)nc1	ZINC000598162593	348897463	/nfs/dbraw/zinc/89/74/63/348897463.db2.gz	JXOWGEUYZFQTKG-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)c1ccn[nH]1)C1CC1	ZINC000598131706	348898909	/nfs/dbraw/zinc/89/89/09/348898909.db2.gz	LDCCVZZFJVLYST-ZETCQYMHSA-N	0	1	204.233	0.926	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1CC[C@](F)(CO)C1	ZINC000598614573	349000293	/nfs/dbraw/zinc/00/02/93/349000293.db2.gz	LPODDJNBYSSMJP-ZYHUDNBSSA-N	0	1	244.310	0.693	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1CCc2n[nH]nc2C1	ZINC000598615278	349000371	/nfs/dbraw/zinc/00/03/71/349000371.db2.gz	JVDWCKZADXMMNG-VIFPVBQESA-N	0	1	249.318	0.464	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1CC[C@@](F)(CO)C1	ZINC000598614572	349000824	/nfs/dbraw/zinc/00/08/24/349000824.db2.gz	LPODDJNBYSSMJP-PWSUYJOCSA-N	0	1	244.310	0.693	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000598411643	348966985	/nfs/dbraw/zinc/96/69/85/348966985.db2.gz	YUADDSZXLLDMFI-NSHDSACASA-N	0	1	218.260	0.714	20	30		BCEDMN
Cc1ccc(CN2C[C@H](O)C[C@H]2CO)cc1C#N	ZINC000599339725	349151797	/nfs/dbraw/zinc/15/17/97/349151797.db2.gz	RTPDXIQRNUVZAC-UONOGXRCSA-N	0	1	246.310	0.794	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000273533083	192394827	/nfs/dbraw/zinc/39/48/27/192394827.db2.gz	WSQCABVTNJILNK-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
CC#CCN1CC[C@](OC)(C(=O)OC)C1	ZINC000599565715	349219792	/nfs/dbraw/zinc/21/97/92/349219792.db2.gz	VVXZZWROPRHHID-LLVKDONJSA-N	0	1	211.261	0.274	20	30		BCEDMN
N#CCCN1CCC(N2CCOCC2)CC1	ZINC000599474396	349195204	/nfs/dbraw/zinc/19/52/04/349195204.db2.gz	QMVGZMJPVHQOCF-UHFFFAOYSA-N	0	1	223.320	0.697	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)CCc2c[nH]nn2)C1	ZINC000601520382	349297165	/nfs/dbraw/zinc/29/71/65/349297165.db2.gz	HYFOLBJBXRSFNF-SNVBAGLBSA-N	0	1	237.238	0.201	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)CCc2cnn[nH]2)C1	ZINC000601520382	349297167	/nfs/dbraw/zinc/29/71/67/349297167.db2.gz	HYFOLBJBXRSFNF-SNVBAGLBSA-N	0	1	237.238	0.201	20	30		BCEDMN
CC(C)[C@@H]1CNCCN1C(=O)NCCCC#N	ZINC000599919381	349271186	/nfs/dbraw/zinc/27/11/86/349271186.db2.gz	VDAHFYABRZKJOM-NSHDSACASA-N	0	1	238.335	0.930	20	30		BCEDMN
COC(=O)C12CCC(CC1)N2C(=O)C(C)C#N	ZINC000601830741	349357430	/nfs/dbraw/zinc/35/74/30/349357430.db2.gz	WYGUJEDVXVAGQM-YDNLMGDJSA-N	0	1	236.271	0.843	20	30		BCEDMN
CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCC[C@@H]1C#N	ZINC000601803715	349358520	/nfs/dbraw/zinc/35/85/20/349358520.db2.gz	ZUFPHXMCFSPWDX-RKDXNWHRSA-N	0	1	233.275	0.498	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)Cc1ncn[nH]1)C1CC1	ZINC000601666845	349321406	/nfs/dbraw/zinc/32/14/06/349321406.db2.gz	PSIIUBYEHDJCJA-ZETCQYMHSA-N	0	1	219.248	0.250	20	30		BCEDMN
C[C@H](C#N)N(C(=O)Cc1ncn[nH]1)C1CC1	ZINC000601666844	349321433	/nfs/dbraw/zinc/32/14/33/349321433.db2.gz	PSIIUBYEHDJCJA-SSDOTTSWSA-N	0	1	219.248	0.250	20	30		BCEDMN
C[C@H](CC#N)n1[nH]c([C@@H]2CCOC2)cc1=O	ZINC000601934726	349388786	/nfs/dbraw/zinc/38/87/86/349388786.db2.gz	DJRBNQASMIBCAV-RKDXNWHRSA-N	0	1	221.260	0.913	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n([C@@H](C)CC#N)c1=O	ZINC000601935625	349389953	/nfs/dbraw/zinc/38/99/53/349389953.db2.gz	LEKHNNHZVHRTQT-IONNQARKSA-N	0	1	237.259	0.686	20	30		BCEDMN
C=C(C)Cn1[nH]cc(CC(=O)OC)c1=O	ZINC000601941668	349393414	/nfs/dbraw/zinc/39/34/14/349393414.db2.gz	ZBQFOXYKOSYYBE-QMMMGPOBSA-N	0	1	210.233	0.570	20	30		BCEDMN
C[C@H](C#N)CNC[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000601964213	349402942	/nfs/dbraw/zinc/40/29/42/349402942.db2.gz	IBJIROHRSDGSIT-ADEWGFFLSA-N	0	1	226.320	0.648	20	30		BCEDMN
C[C@H](C#N)CNC[C@@H](O)C[C@](C)(O)C1CC1	ZINC000601964215	349403005	/nfs/dbraw/zinc/40/30/05/349403005.db2.gz	IBJIROHRSDGSIT-USWWRNFRSA-N	0	1	226.320	0.648	20	30		BCEDMN
C[C@](O)(C[C@@H](O)CNCC1(C#N)CC1)C1CC1	ZINC000601967643	349404885	/nfs/dbraw/zinc/40/48/85/349404885.db2.gz	VRQDTVLXQAQSEY-NEPJUHHUSA-N	0	1	238.331	0.792	20	30		BCEDMN
Cc1nc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000353253450	180049956	/nfs/dbraw/zinc/04/99/56/180049956.db2.gz	ASUNPFQBDYYYDG-LURJTMIESA-N	0	1	244.258	0.804	20	30		BCEDMN
CC#CCNC(=O)CSc1nnc(C)[nH]1	ZINC000154438558	191076437	/nfs/dbraw/zinc/07/64/37/191076437.db2.gz	CMWZWSDAZKBFLJ-UHFFFAOYSA-N	0	1	224.289	0.345	20	30		BCEDMN
CC#CCNC(=O)CSc1nc(C)n[nH]1	ZINC000154438558	191076440	/nfs/dbraw/zinc/07/64/40/191076440.db2.gz	CMWZWSDAZKBFLJ-UHFFFAOYSA-N	0	1	224.289	0.345	20	30		BCEDMN
C[C@]1(O)CCN(Cc2ccnc(C#N)c2)C1	ZINC000228060320	350239570	/nfs/dbraw/zinc/23/95/70/350239570.db2.gz	QUGZNISBKDEICW-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](C(=O)OC)C1	ZINC000225716381	350370673	/nfs/dbraw/zinc/37/06/73/350370673.db2.gz	DQNQWOMLQFRTOR-VHSXEESVSA-N	0	1	240.303	0.172	20	30		BCEDMN
C=C(C)CN(CC)CCN1CCCS1(=O)=O	ZINC000336676387	350438171	/nfs/dbraw/zinc/43/81/71/350438171.db2.gz	NIOXOFSUJIFBQX-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
CC#CCCN(C)C[C@H]1CCS(=O)(=O)C1	ZINC000336665606	350426933	/nfs/dbraw/zinc/42/69/33/350426933.db2.gz	FQRRKWSOBQSACB-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
CNS(=O)(=O)C1CCN(CCCC#N)CC1	ZINC000336684677	350445840	/nfs/dbraw/zinc/44/58/40/350445840.db2.gz	ULOQNEKXOVCILS-UHFFFAOYSA-N	0	1	245.348	0.304	20	30		BCEDMN
C=CCN(CCOC)C[C@@H]1COCCO1	ZINC000336694140	350449905	/nfs/dbraw/zinc/44/99/05/350449905.db2.gz	WFHXBJANDWDSJT-LLVKDONJSA-N	0	1	215.293	0.536	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000337043820	350547502	/nfs/dbraw/zinc/54/75/02/350547502.db2.gz	DFWLDGVHWRWBJG-PWSUYJOCSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@](C)(O)C1	ZINC000177976203	166329363	/nfs/dbraw/zinc/32/93/63/166329363.db2.gz	NKYVFFTWJMQZNN-ZDUSSCGKSA-N	0	1	238.331	0.644	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](COC)OC	ZINC000233869883	350686594	/nfs/dbraw/zinc/68/65/94/350686594.db2.gz	LXUURWVZFGKKAB-VHSXEESVSA-N	0	1	200.282	0.930	20	30		BCEDMN
CC#CCN(C)CCOCC(=O)OCC	ZINC000339755150	350818833	/nfs/dbraw/zinc/81/88/33/350818833.db2.gz	AOHLZHOSVSKXMH-UHFFFAOYSA-N	0	1	213.277	0.521	20	30		BCEDMN
Cc1nc(C(=O)N2CCN[C@@H](C)C2)ccc1C#N	ZINC000563337460	350820558	/nfs/dbraw/zinc/82/05/58/350820558.db2.gz	AJWMTIZNIBITFD-VIFPVBQESA-N	0	1	244.298	0.696	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCO	ZINC000155759704	166331324	/nfs/dbraw/zinc/33/13/24/166331324.db2.gz	WZBACWZQVHKMIR-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
C[C@@H](NCC(=O)NCC#N)c1cccnc1	ZINC000035692115	358458803	/nfs/dbraw/zinc/45/88/03/358458803.db2.gz	BTSWIOHRQWNKJK-SECBINFHSA-N	0	1	218.260	0.372	20	30		BCEDMN
CCC(C#N)(CC)C(=O)NCc1c[nH]nn1	ZINC000398423897	351150538	/nfs/dbraw/zinc/15/05/38/351150538.db2.gz	ZZZOPPCNXQOCAB-UHFFFAOYSA-N	0	1	221.264	0.751	20	30		BCEDMN
C[C@@H](NCc1cc(C#N)cs1)C(N)=O	ZINC000086500161	351165592	/nfs/dbraw/zinc/16/55/92/351165592.db2.gz	AJOODUTXKWVYTH-ZCFIWIBFSA-N	0	1	209.274	0.583	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CCCCc1cn[nH]n1	ZINC000273538135	351535059	/nfs/dbraw/zinc/53/50/59/351535059.db2.gz	SMBGNNBHNOENJD-VIFPVBQESA-N	0	1	235.291	0.936	20	30		BCEDMN
CN(C)c1ccncc1C(=O)N(C)CC#N	ZINC000273568094	351536084	/nfs/dbraw/zinc/53/60/84/351536084.db2.gz	YSPLWALRZMPUJS-UHFFFAOYSA-N	0	1	218.260	0.743	20	30		BCEDMN
C#CC[N@@H+](C)CCCNc1ccc(C(N)=O)cn1	ZINC000292678315	351625844	/nfs/dbraw/zinc/62/58/44/351625844.db2.gz	DMDYXWFNAHGQKR-UHFFFAOYSA-N	0	1	246.314	0.548	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN([C@@H](C)CCC#N)C1	ZINC000577756925	366054594	/nfs/dbraw/zinc/05/45/94/366054594.db2.gz	CXDLQPXONUQGQG-VHSXEESVSA-N	0	1	224.308	0.682	20	30		BCEDMN
CNC(=O)N[C@H]1CCN([C@H](C)CCC#N)C1	ZINC000577756926	366054927	/nfs/dbraw/zinc/05/49/27/366054927.db2.gz	CXDLQPXONUQGQG-ZJUUUORDSA-N	0	1	224.308	0.682	20	30		BCEDMN
CCN1CCC[C@@H](NS(=O)(=O)[C@@H](C)C#N)C1	ZINC000088476853	351804025	/nfs/dbraw/zinc/80/40/25/351804025.db2.gz	ABOVDSSCWIIVIH-VHSXEESVSA-N	0	1	245.348	0.302	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H]1CCCN1C1CC1	ZINC000280356936	351841002	/nfs/dbraw/zinc/84/10/02/351841002.db2.gz	VBSHRVUIZYHXRK-GXSJLCMTSA-N	0	1	206.289	0.751	20	30		BCEDMN
Cc1cc(C(=O)N2CC(C)(C#N)C2)n[nH]1	ZINC000280407691	351842764	/nfs/dbraw/zinc/84/27/64/351842764.db2.gz	HTDHGXWNDKDPOD-UHFFFAOYSA-N	0	1	204.233	0.704	20	30		BCEDMN
Cc1[nH]nc(C(=O)N2CC(C)(C#N)C2)c1[N+](=O)[O-]	ZINC000280545927	351850182	/nfs/dbraw/zinc/85/01/82/351850182.db2.gz	TXDXLMJBEPGJKK-UHFFFAOYSA-N	0	1	249.230	0.612	20	30		BCEDMN
C=CC1CCN(C(=O)[C@]2(C)CNCCO2)CC1	ZINC000637994938	351873298	/nfs/dbraw/zinc/87/32/98/351873298.db2.gz	YWNJXXNGQMHBQJ-ZDUSSCGKSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@H](O)CC)C1=O	ZINC000281171812	351877860	/nfs/dbraw/zinc/87/78/60/351877860.db2.gz	AHOSVSNOSHAYPK-GHMZBOCLSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000282061214	351922521	/nfs/dbraw/zinc/92/25/21/351922521.db2.gz	SEJZICKVIPMMJU-VIFPVBQESA-N	0	1	223.276	0.693	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCCN1C	ZINC000282075021	351922650	/nfs/dbraw/zinc/92/26/50/351922650.db2.gz	TVYNPEBFVUKOTR-SNVBAGLBSA-N	0	1	205.261	0.066	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCCN1C1CC1	ZINC000281925878	351917051	/nfs/dbraw/zinc/91/70/51/351917051.db2.gz	HRJRVAHNZOTHHY-GFCCVEGCSA-N	0	1	231.299	0.599	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000283027268	351955012	/nfs/dbraw/zinc/95/50/12/351955012.db2.gz	MKAVCEDRRNAAHZ-SECBINFHSA-N	0	1	247.302	0.672	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000283027268	351955016	/nfs/dbraw/zinc/95/50/16/351955016.db2.gz	MKAVCEDRRNAAHZ-SECBINFHSA-N	0	1	247.302	0.672	20	30		BCEDMN
N#CCN1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000284435135	351997463	/nfs/dbraw/zinc/99/74/63/351997463.db2.gz	YVTZAVAOSZCTIV-ZETCQYMHSA-N	0	1	208.221	0.066	20	30		BCEDMN
C=CCCCNC(=O)NC[C@H]1COCCN1	ZINC000627023594	363118548	/nfs/dbraw/zinc/11/85/48/363118548.db2.gz	YWIGSTANBGNMCP-JTQLQIEISA-N	0	1	227.308	0.240	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)NC[C@H]1COCCN1	ZINC000627027105	363121005	/nfs/dbraw/zinc/12/10/05/363121005.db2.gz	IXLVNYGKCGOHDR-QWRGUYRKSA-N	0	1	241.335	0.629	20	30		BCEDMN
C=CCOCCCN1CCO[C@@H]([C@@H](C)O)C1	ZINC000412088739	191255549	/nfs/dbraw/zinc/25/55/49/191255549.db2.gz	OMTOKFWZRPAUAA-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1ncnn1C	ZINC000638828469	353008047	/nfs/dbraw/zinc/00/80/47/353008047.db2.gz	CPIYZPNQNATKKT-SECBINFHSA-N	0	1	210.281	0.089	20	30		BCEDMN
C=CCCC(C)(C)CNC(=O)C1(O)CNC1	ZINC000638864878	353038506	/nfs/dbraw/zinc/03/85/06/353038506.db2.gz	CVMGOHMKHKKVMF-UHFFFAOYSA-N	0	1	226.320	0.429	20	30		BCEDMN
C=CCCC(C)(C)CNC(=O)CNC(=O)CN	ZINC000638874618	353045207	/nfs/dbraw/zinc/04/52/07/353045207.db2.gz	IJBGSYOPVNMEME-UHFFFAOYSA-N	0	1	241.335	0.170	20	30		BCEDMN
N#CCC(=O)N1CCN(CC2CC2)CC1	ZINC000048995710	187981314	/nfs/dbraw/zinc/98/13/14/187981314.db2.gz	VBRWKDCRWZBSFU-UHFFFAOYSA-N	0	1	207.277	0.454	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)OC)CC1	ZINC000072015383	188047316	/nfs/dbraw/zinc/04/73/16/188047316.db2.gz	WNKQYASUMHTZRY-UHFFFAOYSA-N	0	1	210.277	0.351	20	30		BCEDMN
CNC(=O)C1CN(C(=O)CCc2cnc[nH]2)C1	ZINC000329494326	538109182	/nfs/dbraw/zinc/10/91/82/538109182.db2.gz	IIWGDIDLUIGJCK-UHFFFAOYSA-N	0	1	236.275	0.387	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@@H](C)CN1CCOCC1	ZINC000330828877	353184281	/nfs/dbraw/zinc/18/42/81/353184281.db2.gz	TWTVGCARFGLLSY-WDEREUQCSA-N	0	1	239.319	0.373	20	30		BCEDMN
CNC(=O)N[C@H]1CCN(CCc2ccccn2)C1	ZINC000330941231	353202100	/nfs/dbraw/zinc/20/21/00/353202100.db2.gz	FNIQACASHMENOQ-LBPRGKRZSA-N	0	1	248.330	0.832	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN(CCc2ccccn2)C1	ZINC000330941230	353202320	/nfs/dbraw/zinc/20/23/20/353202320.db2.gz	FNIQACASHMENOQ-GFCCVEGCSA-N	0	1	248.330	0.832	20	30		BCEDMN
CN(CC#N)C(=O)C(C)(C)c1c[nH]cn1	ZINC000330951641	353203181	/nfs/dbraw/zinc/20/31/81/353203181.db2.gz	KSBYVQJSUZBUBB-UHFFFAOYSA-N	0	1	206.249	0.669	20	30		BCEDMN
CCOC(=O)CCN1CC[C@H](NC(=O)NC)C1	ZINC000330960822	353204649	/nfs/dbraw/zinc/20/46/49/353204649.db2.gz	XVGVBGLJBYXNKJ-VIFPVBQESA-N	0	1	243.307	0.147	20	30		BCEDMN
N#Cc1ccc(CNCCn2cnc(C#N)n2)o1	ZINC000353049668	188233234	/nfs/dbraw/zinc/23/32/34/188233234.db2.gz	SYOTXKQLYMRVJL-UHFFFAOYSA-N	0	1	242.242	0.404	20	30		BCEDMN
C=C(C)CCN1CCSC[C@H]1C(N)=O	ZINC000274875628	188265177	/nfs/dbraw/zinc/26/51/77/188265177.db2.gz	YLAXWDBFLCTHKQ-VIFPVBQESA-N	0	1	214.334	0.855	20	30		BCEDMN
C=C(C)CCN1CCC[C@@H](O)[C@@H]1C(=O)OC	ZINC000275679315	188265560	/nfs/dbraw/zinc/26/55/60/188265560.db2.gz	ZSLJWEHLJTVNNC-GHMZBOCLSA-N	0	1	227.304	0.951	20	30		BCEDMN
N#Cc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1	ZINC000086331238	188318422	/nfs/dbraw/zinc/31/84/22/188318422.db2.gz	IZFHPAIZOMSGFX-TXEJJXNPSA-N	0	1	218.256	0.096	20	30		BCEDMN
C#CCNC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000131706016	353371574	/nfs/dbraw/zinc/37/15/74/353371574.db2.gz	RVPZNZPBIQRYEM-MRVPVSSYSA-N	0	1	203.245	0.579	20	30		BCEDMN
C=CCCN1CCN(C(=O)NCC)CC1	ZINC000132404794	353379934	/nfs/dbraw/zinc/37/99/34/353379934.db2.gz	NPXNDVRIAXDIDX-UHFFFAOYSA-N	0	1	211.309	0.910	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCCO)C1=O	ZINC000281399384	353446209	/nfs/dbraw/zinc/44/62/09/353446209.db2.gz	QKVDONGXUCUGAP-SNVBAGLBSA-N	0	1	212.293	0.088	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CC[C@H](C)O)C1=O	ZINC000281136304	353430569	/nfs/dbraw/zinc/43/05/69/353430569.db2.gz	AEFNQPCNQQJHGA-WDEREUQCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCN1CC[C@H](N(CC)CCO)C1=O	ZINC000282112520	353463370	/nfs/dbraw/zinc/46/33/70/353463370.db2.gz	XCAVRJUVGPSMBS-JTQLQIEISA-N	0	1	212.293	0.088	20	30		BCEDMN
C=CCN1CC[C@H](N(CC)CCOC)C1=O	ZINC000282113067	353463632	/nfs/dbraw/zinc/46/36/32/353463632.db2.gz	XEPRTOCXWCFKSF-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC[C@@H](O)C2)C1=O	ZINC000281910242	353467473	/nfs/dbraw/zinc/46/74/73/353467473.db2.gz	GKMJDKGAZIRLRG-GHMZBOCLSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC[C@H](O)C2)C1=O	ZINC000281910253	353468175	/nfs/dbraw/zinc/46/81/75/353468175.db2.gz	GKMJDKGAZIRLRG-WDEREUQCSA-N	0	1	224.304	0.230	20	30		BCEDMN
C#C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C	ZINC000282295428	353473677	/nfs/dbraw/zinc/47/36/77/353473677.db2.gz	XKQFKAWFYNFXDG-ZETCQYMHSA-N	0	1	236.231	0.706	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](OC)C[C@@H]1C	ZINC000282320570	353473959	/nfs/dbraw/zinc/47/39/59/353473959.db2.gz	LAHAJQXCGHNHEI-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1	ZINC000284468014	353513305	/nfs/dbraw/zinc/51/33/05/353513305.db2.gz	DMCDAPHSVMKUCT-LBPRGKRZSA-N	0	1	234.303	0.128	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@H](C)CO)C1=O	ZINC000284910723	353517428	/nfs/dbraw/zinc/51/74/28/353517428.db2.gz	VGSOXLLRVULFDF-NXEZZACHSA-N	0	1	212.293	0.086	20	30		BCEDMN
C#CCN(C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000192237128	353538391	/nfs/dbraw/zinc/53/83/91/353538391.db2.gz	VLLHGEOPLQIBOS-UHFFFAOYSA-N	0	1	235.243	0.322	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cnn(C)c1C	ZINC000183354383	353541426	/nfs/dbraw/zinc/54/14/26/353541426.db2.gz	GARRJXBLBUGYCS-VHSXEESVSA-N	0	1	248.330	0.517	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1cnccc1N(C)C	ZINC000183541648	353560863	/nfs/dbraw/zinc/56/08/63/353560863.db2.gz	UMIFGUVMHOQGEM-QMMMGPOBSA-N	0	1	218.260	0.789	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCCN1CC=CCC1	ZINC000290327619	353653756	/nfs/dbraw/zinc/65/37/56/353653756.db2.gz	APRPQOMXWABVRA-ZDUSSCGKSA-N	0	1	238.331	0.692	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)OC	ZINC000291330757	353686834	/nfs/dbraw/zinc/68/68/34/353686834.db2.gz	VTRAPONNHJWTPC-GHMZBOCLSA-N	0	1	226.320	0.481	20	30		BCEDMN
CC#CCN1CCC(C(=O)N(C)OC)CC1	ZINC000291932394	353702440	/nfs/dbraw/zinc/70/24/40/353702440.db2.gz	SYDLKAUHVKAOKF-UHFFFAOYSA-N	0	1	224.304	0.742	20	30		BCEDMN
C=CCCCS(=O)(=O)N[C@@H](C)c1nnc[nH]1	ZINC000292572594	353716912	/nfs/dbraw/zinc/71/69/12/353716912.db2.gz	LIYKALFMOODMDO-QMMMGPOBSA-N	0	1	244.320	0.751	20	30		BCEDMN
C=CCOCCN1CCC[C@H]1C(=O)NC	ZINC000292947554	353730011	/nfs/dbraw/zinc/73/00/11/353730011.db2.gz	BIHFYXKZXNOQFQ-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCNC(=O)CC[N@@H+]1CCC[C@](C)(F)C1	ZINC000295361945	353805009	/nfs/dbraw/zinc/80/50/09/353805009.db2.gz	JHUSHIHUDZFCDW-LBPRGKRZSA-N	0	1	226.295	0.950	20	30		BCEDMN
C#Cc1ccc(CNC(=O)CN(C)C)cc1	ZINC000295414379	353805541	/nfs/dbraw/zinc/80/55/41/353805541.db2.gz	JNWAHWADXXKYFY-UHFFFAOYSA-N	0	1	216.284	0.846	20	30		BCEDMN
C#CC[N@@H+]1CC[C@](COC)(C(=O)OC)C1	ZINC000296384858	353824645	/nfs/dbraw/zinc/82/46/45/353824645.db2.gz	SFRRAVVKTVAXRW-NSHDSACASA-N	0	1	211.261	0.131	20	30		BCEDMN
C#C[C@H](C)NC(=O)CSc1nnc(C)[nH]1	ZINC000185305664	353792826	/nfs/dbraw/zinc/79/28/26/353792826.db2.gz	SRGZSOKYLONJHH-LURJTMIESA-N	0	1	224.289	0.343	20	30		BCEDMN
C#C[C@H](C)NC(=O)CSc1nc(C)n[nH]1	ZINC000185305664	353792829	/nfs/dbraw/zinc/79/28/29/353792829.db2.gz	SRGZSOKYLONJHH-LURJTMIESA-N	0	1	224.289	0.343	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000185986795	353861927	/nfs/dbraw/zinc/86/19/27/353861927.db2.gz	MCRQPYAGFYNQNW-IUCAKERBSA-N	0	1	217.272	0.968	20	30		BCEDMN
C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1C	ZINC000343418754	353881129	/nfs/dbraw/zinc/88/11/29/353881129.db2.gz	CKHLNZKLSNZTJD-ZJUUUORDSA-N	0	1	241.360	0.842	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@@H]1CN(C(C)C)CCO1	ZINC000366832606	353920150	/nfs/dbraw/zinc/92/01/50/353920150.db2.gz	STZCAUUCNKBESY-JTQLQIEISA-N	0	1	246.738	0.964	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCCO[C@H](C)C2)C1=O	ZINC000334526025	353898522	/nfs/dbraw/zinc/89/85/22/353898522.db2.gz	HUCZVSAOSVSKQF-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@H](N2CCCO[C@H](C)C2)C1=O	ZINC000334526017	353898567	/nfs/dbraw/zinc/89/85/67/353898567.db2.gz	HUCZVSAOSVSKQF-NEPJUHHUSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=C1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1	ZINC000343656900	353954883	/nfs/dbraw/zinc/95/48/83/353954883.db2.gz	DLWAFRAGVKIIJR-CYBMUJFWSA-N	0	1	249.358	0.555	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCNCC2)cc1	ZINC000021952612	181097715	/nfs/dbraw/zinc/09/77/15/181097715.db2.gz	DIAXYBAIVPIEGQ-UHFFFAOYSA-N	0	1	215.256	0.604	20	30		BCEDMN
C[C@H](CNS(=O)(=O)CCC#N)N(C)C1CC1	ZINC000331797729	134002505	/nfs/dbraw/zinc/00/25/05/134002505.db2.gz	WMXVRNIZEGKWLJ-SECBINFHSA-N	0	1	245.348	0.302	20	30		BCEDMN
N#Cc1ccc(CNCCNC(=O)C2CC2)o1	ZINC000135128135	181108809	/nfs/dbraw/zinc/10/88/09/181108809.db2.gz	MYUOSHIYODQFSE-UHFFFAOYSA-N	0	1	233.271	0.767	20	30		BCEDMN
CC#CCN1CCC[C@@H](n2ccnn2)C1	ZINC000335107169	354692027	/nfs/dbraw/zinc/69/20/27/354692027.db2.gz	CXLJBVWCJMXLMZ-LLVKDONJSA-N	0	1	204.277	0.938	20	30		BCEDMN
C=CC[C@H](C)NC(=O)NC[C@H]1COCCN1	ZINC000627186250	363439746	/nfs/dbraw/zinc/43/97/46/363439746.db2.gz	RKUFJWWJOSLYIB-UWVGGRQHSA-N	0	1	227.308	0.239	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)NC[C@@H]1COCCN1	ZINC000627186249	363439830	/nfs/dbraw/zinc/43/98/30/363439830.db2.gz	RKUFJWWJOSLYIB-NXEZZACHSA-N	0	1	227.308	0.239	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@H]1C(=O)NCCN1CCC1	ZINC000346393798	354908767	/nfs/dbraw/zinc/90/87/67/354908767.db2.gz	CRONBJDUPPYIOI-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C(C)CN(CC)C(=O)NC[C@@H]1COCCN1	ZINC000627184352	363435884	/nfs/dbraw/zinc/43/58/84/363435884.db2.gz	GPQGAOOLLLZOTL-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
N#Cc1cncnc1N[C@@H]1CCN(C2CC2)C1	ZINC000383860937	355416974	/nfs/dbraw/zinc/41/69/74/355416974.db2.gz	CQLLJLMLWYUSKG-SNVBAGLBSA-N	0	1	229.287	0.419	20	30		BCEDMN
C[C@@H](NCCn1cnc(C#N)n1)c1ccccn1	ZINC000353982771	355735734	/nfs/dbraw/zinc/73/57/34/355735734.db2.gz	XIVVPIWRVHAMTF-SNVBAGLBSA-N	0	1	242.286	0.896	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCOC1	ZINC000107693382	355825139	/nfs/dbraw/zinc/82/51/39/355825139.db2.gz	MPPXELUCVBBERD-LLVKDONJSA-N	0	1	226.320	0.647	20	30		BCEDMN
C[C@@H]1C[C@@H](NC(=O)NCCN2CCC2)CCO1	ZINC000329122995	355898554	/nfs/dbraw/zinc/89/85/54/355898554.db2.gz	XAIANHPXQGBQQI-MNOVXSKESA-N	0	1	241.335	0.763	20	30		BCEDMN
C[C@@H](NC(=O)N[C@H]1[C@@H]2COC[C@@H]21)c1nnc[nH]1	ZINC000330028965	356161812	/nfs/dbraw/zinc/16/18/12/356161812.db2.gz	PIGPAZUSPFWURG-NGJRWZKOSA-N	0	1	237.263	0.014	20	30		BCEDMN
Cc1cc(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)[nH]n1	ZINC000330078969	356168358	/nfs/dbraw/zinc/16/83/58/356168358.db2.gz	FUHVTNSJDREIJV-JZYVYDRUSA-N	0	1	221.260	0.862	20	30		BCEDMN
C=C(C)CN(C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000335912658	356135569	/nfs/dbraw/zinc/13/55/69/356135569.db2.gz	KUKSGZOULFLQIQ-JTQLQIEISA-N	0	1	232.349	0.528	20	30		BCEDMN
C[C@@H]1C[C@H]1CNC(=O)N1CCn2ncnc2C1	ZINC000329940952	356147532	/nfs/dbraw/zinc/14/75/32/356147532.db2.gz	BWSRRVWQKWMFRB-BDAKNGLRSA-N	0	1	235.291	0.664	20	30		BCEDMN
CC1CC(NC(=O)N2CCn3ncnc3C2)C1	ZINC000329940221	356147791	/nfs/dbraw/zinc/14/77/91/356147791.db2.gz	UJFOIDBBWPOYGP-UHFFFAOYSA-N	0	1	235.291	0.806	20	30		BCEDMN
Cn1cnnc1CNC(=O)[C@H]1CCCN1C1CC1	ZINC000330257890	356195163	/nfs/dbraw/zinc/19/51/63/356195163.db2.gz	LZGDFPCITOPGCC-SNVBAGLBSA-N	0	1	249.318	0.898	20	30		BCEDMN
Cc1cc(CNC(=O)c2ccc(C#N)nc2)n[nH]1	ZINC000609663267	356418068	/nfs/dbraw/zinc/41/80/68/356418068.db2.gz	QCGBZKSTYGGQNV-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C=C[C@H](O)C(=O)Nc1nc(C2CCC2)n[nH]1	ZINC000613498925	363465005	/nfs/dbraw/zinc/46/50/05/363465005.db2.gz	OCDRBOUJOUUCGQ-ZETCQYMHSA-N	0	1	222.248	0.558	20	30		BCEDMN
C=C[C@H](O)C(=O)Nc1n[nH]c(C2CCC2)n1	ZINC000613498925	363465007	/nfs/dbraw/zinc/46/50/07/363465007.db2.gz	OCDRBOUJOUUCGQ-ZETCQYMHSA-N	0	1	222.248	0.558	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@H](CO)OC(C)(C)C1	ZINC000420932542	192287152	/nfs/dbraw/zinc/28/71/52/192287152.db2.gz	HDPMWPNXTAYEBF-VXGBXAGGSA-N	0	1	243.347	0.785	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C)C1	ZINC000336203363	134131239	/nfs/dbraw/zinc/13/12/39/134131239.db2.gz	YYACLDMDQJVKIF-MNOVXSKESA-N	0	1	224.304	0.350	20	30		BCEDMN
CCC#C[C@H](C)N1CCN(Cc2nnc[nH]2)CC1	ZINC000639720757	356618492	/nfs/dbraw/zinc/61/84/92/356618492.db2.gz	IGDYNIJFIUYDJF-LBPRGKRZSA-N	0	1	247.346	0.724	20	30		BCEDMN
C=C(CC)CN1CCN(Cc2nc[nH]n2)CC1	ZINC000639720226	356618524	/nfs/dbraw/zinc/61/85/24/356618524.db2.gz	DWZYWEXHLQFNKG-UHFFFAOYSA-N	0	1	235.335	0.889	20	30		BCEDMN
C[C@@H](CN(C)C(=O)C(C)(C)C#N)c1nn[nH]n1	ZINC000352472543	134146483	/nfs/dbraw/zinc/14/64/83/134146483.db2.gz	GTAHUXROAXWION-ZETCQYMHSA-N	0	1	236.279	0.311	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCN(C)C1	ZINC000336620587	134151824	/nfs/dbraw/zinc/15/18/24/134151824.db2.gz	IYXVGOATKWSLFO-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
CC#CCCNC(=O)NCCN1CC=CCC1	ZINC000354261889	134167415	/nfs/dbraw/zinc/16/74/15/134167415.db2.gz	POARISLFQBZFIY-UHFFFAOYSA-N	0	1	235.331	0.961	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000355118969	134172008	/nfs/dbraw/zinc/17/20/08/134172008.db2.gz	KLKMKDGUMXXPMB-ZANVPECISA-N	0	1	249.314	0.710	20	30		BCEDMN
C[C@H]1CC[C@H](C)N1CC(=O)N(CC#N)CC#N	ZINC000355406789	134173160	/nfs/dbraw/zinc/17/31/60/134173160.db2.gz	ARUBDRDFTRYZKK-QWRGUYRKSA-N	0	1	234.303	0.735	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NCCN1CCC1	ZINC000542877449	325059934	/nfs/dbraw/zinc/05/99/34/325059934.db2.gz	SUIMLSMXCXHIRO-SECBINFHSA-N	0	1	210.281	0.151	20	30		BCEDMN
C=C(C)CCN1CCO[C@H](Cn2ccnn2)C1	ZINC000639855716	356860609	/nfs/dbraw/zinc/86/06/09/356860609.db2.gz	PHIKPCQYYGXSHB-LBPRGKRZSA-N	0	1	236.319	0.945	20	30		BCEDMN
C=CCN(CC(F)(F)F)C(=O)[C@H](N)COC	ZINC000357119327	134182253	/nfs/dbraw/zinc/18/22/53/134182253.db2.gz	OFGLDUPKDTWXQE-SSDOTTSWSA-N	0	1	240.225	0.537	20	30		BCEDMN
CC#CCN1CCC[C@H](N2CCNC2=O)C1	ZINC000369627498	356989093	/nfs/dbraw/zinc/98/90/93/356989093.db2.gz	ZPJQLBOHCDHGNT-NSHDSACASA-N	0	1	221.304	0.499	20	30		BCEDMN
CCC[C@H](NC(=O)CC#N)c1nn[nH]n1	ZINC000356929741	134181073	/nfs/dbraw/zinc/18/10/73/134181073.db2.gz	JNPZJMFRCNSJBB-LURJTMIESA-N	0	1	208.225	0.071	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2ccncc2C#N)n[nH]1	ZINC000399503816	356960691	/nfs/dbraw/zinc/96/06/91/356960691.db2.gz	JLQDYLKIIXNFBG-SSDOTTSWSA-N	0	1	228.259	0.975	20	30		BCEDMN
CCC[C@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785810	134185221	/nfs/dbraw/zinc/18/52/21/134185221.db2.gz	DAODEUMUDDVIJD-KCJUWKMLSA-N	0	1	226.276	0.994	20	30		BCEDMN
CCC[C@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785811	134185254	/nfs/dbraw/zinc/18/52/54/134185254.db2.gz	DAODEUMUDDVIJD-KWQFWETISA-N	0	1	226.276	0.994	20	30		BCEDMN
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C=CC[C@H]1CCN(Cc2cn(CC(N)=O)nn2)C1	ZINC000628406772	357201238	/nfs/dbraw/zinc/20/12/38/357201238.db2.gz	QIVOZBPHESLSAM-JTQLQIEISA-N	0	1	249.318	0.161	20	30		BCEDMN
CC#CCCNC(=O)NCCN1CCC1	ZINC000361644973	134206980	/nfs/dbraw/zinc/20/69/80/134206980.db2.gz	QXDRHZJZCHMNJO-UHFFFAOYSA-N	0	1	209.293	0.405	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000230418092	357524252	/nfs/dbraw/zinc/52/42/52/357524252.db2.gz	JRZLRIYFRNBQLI-XVKPBYJWSA-N	0	1	221.264	0.922	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H](CO)OC[C@H]1C	ZINC000361677161	134207196	/nfs/dbraw/zinc/20/71/96/134207196.db2.gz	DUJSWDPFERMVFC-WOPDTQHZSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCN2CCC[C@@H]2C1	ZINC000190871819	357728213	/nfs/dbraw/zinc/72/82/13/357728213.db2.gz	URGXSFWCCGMTSU-LLVKDONJSA-N	0	1	244.360	0.672	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCN(CC)C(=O)C1	ZINC000190223774	357695842	/nfs/dbraw/zinc/69/58/42/357695842.db2.gz	BXKKNSSBWVQAEK-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CCN(CCOC)C(=O)CCc1nc[nH]n1	ZINC000191978300	357818572	/nfs/dbraw/zinc/81/85/72/357818572.db2.gz	AUWAGHUIABIVCU-UHFFFAOYSA-N	0	1	238.291	0.398	20	30		BCEDMN
Cc1[nH]ncc1CN1CCN(C2CC2)[C@H](C#N)C1	ZINC000371326168	134228414	/nfs/dbraw/zinc/22/84/14/134228414.db2.gz	HYAXKPKTNTUDJA-CYBMUJFWSA-N	0	1	245.330	0.890	20	30		BCEDMN
CC#CCCN1CCC[C@H](S(=O)(=O)NC)C1	ZINC000372079154	134230399	/nfs/dbraw/zinc/23/03/99/134230399.db2.gz	WVSOJDGFSNCNGW-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1ccnc(C#N)n1	ZINC000583763688	357938355	/nfs/dbraw/zinc/93/83/55/357938355.db2.gz	ICYGAHYFTJQVRP-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
CC#CCNC(=O)[C@H]1CN(C(C)C)CCO1	ZINC000374048740	134235418	/nfs/dbraw/zinc/23/54/18/134235418.db2.gz	FMFBVESFMDQZQW-LLVKDONJSA-N	0	1	224.304	0.235	20	30		BCEDMN
COCCN(CCC#N)C(=O)Cc1ccn[nH]1	ZINC000610492139	357954379	/nfs/dbraw/zinc/95/43/79/357954379.db2.gz	VTNSRFYZUULUGA-UHFFFAOYSA-N	0	1	236.275	0.341	20	30		BCEDMN
COCCN(CCC#N)C(=O)[C@@H]1CCCN1C	ZINC000610556188	357977550	/nfs/dbraw/zinc/97/75/50/357977550.db2.gz	UQWVBQFLKIVDLM-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)CCc1nc[nH]n1	ZINC000610559928	357987169	/nfs/dbraw/zinc/98/71/69/357987169.db2.gz	ADMQVVRBIUPCAM-SECBINFHSA-N	0	1	235.291	0.792	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCOC[C@@H]1C	ZINC000584478670	357995794	/nfs/dbraw/zinc/99/57/94/357995794.db2.gz	YUELPIXSZQESGQ-NWDGAFQWSA-N	0	1	225.336	0.989	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCOC[C@H]1C	ZINC000584478672	357996174	/nfs/dbraw/zinc/99/61/74/357996174.db2.gz	YUELPIXSZQESGQ-VXGBXAGGSA-N	0	1	225.336	0.989	20	30		BCEDMN
N#Cc1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1	ZINC000610604275	358015914	/nfs/dbraw/zinc/01/59/14/358015914.db2.gz	LJKINRAWLPKFEJ-BETUJISGSA-N	0	1	232.283	0.486	20	30		BCEDMN
C=CCOCC[N@H+]1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000584535039	358044862	/nfs/dbraw/zinc/04/48/62/358044862.db2.gz	OKQMGKNYYNHNPP-NXEZZACHSA-N	0	1	229.276	0.363	20	30		BCEDMN
C=CCOCC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000584535040	358044885	/nfs/dbraw/zinc/04/48/85/358044885.db2.gz	OKQMGKNYYNHNPP-UWVGGRQHSA-N	0	1	229.276	0.363	20	30		BCEDMN
C[C@@H](C#N)CN(C)CCCC(=O)N(C)C	ZINC000043453346	358376157	/nfs/dbraw/zinc/37/61/57/358376157.db2.gz	DPFCQJXHYXJJHW-JTQLQIEISA-N	0	1	211.309	0.946	20	30		BCEDMN
CC[C@@H](CC#N)NCCOCCOC	ZINC000044725164	358392520	/nfs/dbraw/zinc/39/25/20/358392520.db2.gz	UHTIZVXIGYKVBS-JTQLQIEISA-N	0	1	200.282	0.931	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@H](O)C(C)(C)C1	ZINC000310258847	358443327	/nfs/dbraw/zinc/44/33/27/358443327.db2.gz	QAPDCZLEPVEGOB-MNOVXSKESA-N	0	1	240.347	0.770	20	30		BCEDMN
Cc1cc(C#N)ccc1C(=O)NCc1nn[nH]n1	ZINC000610970309	358416860	/nfs/dbraw/zinc/41/68/60/358416860.db2.gz	OGRDHGRVSKFLNJ-UHFFFAOYSA-N	0	1	242.242	0.310	20	30		BCEDMN
CCOC(=O)[C@@H]1CCCN(CC#CCOC)C1	ZINC000611080195	358597382	/nfs/dbraw/zinc/59/73/82/358597382.db2.gz	CLXKOQVPRZRFEV-GFCCVEGCSA-N	0	1	239.315	0.911	20	30		BCEDMN
C[C@@H](Nc1nccnc1C#N)c1nnc[nH]1	ZINC000219648772	134288998	/nfs/dbraw/zinc/28/89/98/134288998.db2.gz	URZNZNFZHCIYBV-ZCFIWIBFSA-N	0	1	215.220	0.639	20	30		BCEDMN
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COC[C@@H](O)CN(CCC#N)CC1CC1	ZINC000177028800	134293838	/nfs/dbraw/zinc/29/38/38/134293838.db2.gz	ZLLOMCUJZCBKNF-NSHDSACASA-N	0	1	212.293	0.619	20	30		BCEDMN
C[C@@H](CO)N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000135510047	358840673	/nfs/dbraw/zinc/84/06/73/358840673.db2.gz	XOWQLBHGAMKYSZ-CABZTGNLSA-N	0	1	239.319	0.107	20	30		BCEDMN
COCC#CCN[C@@](C)(COC)CC(=O)OC	ZINC000611141236	358879659	/nfs/dbraw/zinc/87/96/59/358879659.db2.gz	IEUSTSOSUHCCFC-GFCCVEGCSA-N	0	1	243.303	0.194	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1ccc(C#N)nn1	ZINC000611299088	359304149	/nfs/dbraw/zinc/30/41/49/359304149.db2.gz	NALMGINEPTZXEQ-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
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C=CC1CCN([C@H]2CC(=O)NC2=O)CC1	ZINC000580461935	359568960	/nfs/dbraw/zinc/56/89/60/359568960.db2.gz	KNEORGLDIDXBEZ-VIFPVBQESA-N	0	1	208.261	0.300	20	30		BCEDMN
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C=CCCN(C)C[C@@H](C)S(C)(=O)=O	ZINC000450823336	202275730	/nfs/dbraw/zinc/27/57/30/202275730.db2.gz	VBUHOQBARNZELI-SECBINFHSA-N	0	1	205.323	0.927	20	30		BCEDMN
CNC(=O)CCN1CCC[C@](C)(C#N)C1	ZINC000612164525	359718300	/nfs/dbraw/zinc/71/83/00/359718300.db2.gz	AZIFESLLEBUXSL-LLVKDONJSA-N	0	1	209.293	0.748	20	30		BCEDMN
CNC(=O)CCN1CCC[C@@](C)(C#N)C1	ZINC000612164526	359718713	/nfs/dbraw/zinc/71/87/13/359718713.db2.gz	AZIFESLLEBUXSL-NSHDSACASA-N	0	1	209.293	0.748	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCCc1nc(C)n[nH]1	ZINC000352274261	366554053	/nfs/dbraw/zinc/55/40/53/366554053.db2.gz	SRMAMENEAVMPSU-NSHDSACASA-N	0	1	235.291	0.712	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1c1ccc(C#N)cn1	ZINC000450950845	202318579	/nfs/dbraw/zinc/31/85/79/202318579.db2.gz	DTWYNTJNZRHUEI-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
N#Cc1cnc(N2CCc3cn[nH]c3C2)cn1	ZINC000613885583	363679683	/nfs/dbraw/zinc/67/96/83/363679683.db2.gz	FHVXZFQGHRNZMF-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2cnc(C#N)cn2)CCN1C	ZINC000613888829	363680836	/nfs/dbraw/zinc/68/08/36/363680836.db2.gz	WVYACKFACXFCQZ-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1cnc(C#N)cn1	ZINC000613888842	363681300	/nfs/dbraw/zinc/68/13/00/363681300.db2.gz	WVYACKFACXFCQZ-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
CC(C)(CCC#N)CN1CCO[C@H](C(N)=O)C1	ZINC000092735921	360192906	/nfs/dbraw/zinc/19/29/06/360192906.db2.gz	FQCVMKIYCSBQKK-JTQLQIEISA-N	0	1	239.319	0.502	20	30		BCEDMN
CCOCCN(C)[C@H](C)C(=O)N(C)CCC#N	ZINC000093317569	360228896	/nfs/dbraw/zinc/22/88/96/360228896.db2.gz	VFTSUDJEKNOUQT-LLVKDONJSA-N	0	1	241.335	0.715	20	30		BCEDMN
C=CCCOCC(=O)N1CCC2(CN(C)C2)C1	ZINC000614038943	363714015	/nfs/dbraw/zinc/71/40/15/363714015.db2.gz	HKHLURUMYMRPKI-UHFFFAOYSA-N	0	1	238.331	0.743	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCC2(CN(C)C2)C1	ZINC000614033733	363711209	/nfs/dbraw/zinc/71/12/09/363711209.db2.gz	AHSDMHDXGXEQAX-LBPRGKRZSA-N	0	1	238.331	0.478	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000613122298	360382448	/nfs/dbraw/zinc/38/24/48/360382448.db2.gz	FYXQDNKBCTZJRQ-HQJQHLMTSA-N	0	1	238.291	0.481	20	30		BCEDMN
C=CCCC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000629176065	360924144	/nfs/dbraw/zinc/92/41/44/360924144.db2.gz	HBXLBGADWSYMFK-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CC[C@H]1CC[N@H+](CCOCC(=O)[O-])C1	ZINC000629366800	361014403	/nfs/dbraw/zinc/01/44/03/361014403.db2.gz	YEEKINPEDBZXCT-JTQLQIEISA-N	0	1	213.277	0.986	20	30		BCEDMN
C=CC[C@H]1CC[N@H+](CC(=O)NCC(=O)[O-])C1	ZINC000629498686	361099418	/nfs/dbraw/zinc/09/94/18/361099418.db2.gz	PPYNMKLNLXWOOP-VIFPVBQESA-N	0	1	226.276	0.085	20	30		BCEDMN
CC#CCCN1C[C@@H](CO)OC(C)(C)C1	ZINC000158724105	361209239	/nfs/dbraw/zinc/20/92/39/361209239.db2.gz	LFUNQCJWOZWFRT-NSHDSACASA-N	0	1	211.305	0.872	20	30		BCEDMN
CC(C)c1nc(CN2CCOC[C@H]2C#N)n[nH]1	ZINC000428381986	201013931	/nfs/dbraw/zinc/01/39/31/201013931.db2.gz	QGZWXOMQITVECX-SECBINFHSA-N	0	1	235.291	0.652	20	30		BCEDMN
CC[C@H]1CN(C)CCN1Cc1ncc(C#N)cn1	ZINC000579224444	366736928	/nfs/dbraw/zinc/73/69/28/366736928.db2.gz	OAQNQWSXOVSHRR-LBPRGKRZSA-N	0	1	245.330	0.874	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NCc1n[nH]c(=O)n1C	ZINC000640649759	361348258	/nfs/dbraw/zinc/34/82/58/361348258.db2.gz	BMBFSGGECYUKMN-QMMMGPOBSA-N	0	1	238.291	0.739	20	30		BCEDMN
CCNC(=O)CCN(C)CC(C)(C)C#N	ZINC000433307320	201180397	/nfs/dbraw/zinc/18/03/97/201180397.db2.gz	VDGJXMGQDNYWQW-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
CN(C[C@@H](O)Cn1cccn1)CC(C)(C)C#N	ZINC000433309353	201180527	/nfs/dbraw/zinc/18/05/27/201180527.db2.gz	YWIBTXHFBJTQFA-LLVKDONJSA-N	0	1	236.319	0.726	20	30		BCEDMN
N#Cc1ccc(CNC[C@H]2CCCC(=O)N2)o1	ZINC000433199405	201169229	/nfs/dbraw/zinc/16/92/29/201169229.db2.gz	LDRMAHZFQWHYRC-SECBINFHSA-N	0	1	233.271	0.910	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C	ZINC000613228150	361563328	/nfs/dbraw/zinc/56/33/28/361563328.db2.gz	YACKZKPFHVGYRL-GUBZILKMSA-N	0	1	212.293	0.084	20	30		BCEDMN
CC#CCCN1CC[C@H](NS(C)(=O)=O)C1	ZINC000155729420	201349922	/nfs/dbraw/zinc/34/99/22/201349922.db2.gz	NVLRMHXQSZHXEF-JTQLQIEISA-N	0	1	230.333	0.023	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)NCc1nnc[nH]1	ZINC000437839235	201376027	/nfs/dbraw/zinc/37/60/27/201376027.db2.gz	MDSZUZWRFCGQES-LLVKDONJSA-N	0	1	238.291	0.650	20	30		BCEDMN
C=CCNC(=O)CNCc1cccn1C	ZINC000134229275	364396067	/nfs/dbraw/zinc/39/60/67/364396067.db2.gz	BQHBXMJURRGZCA-UHFFFAOYSA-N	0	1	207.277	0.417	20	30		BCEDMN
Cc1cc(C[C@H](C)Nc2ncncc2C#N)[nH]n1	ZINC000574395430	365053014	/nfs/dbraw/zinc/05/30/14/365053014.db2.gz	DGBSEFFPDAKTFX-QMMMGPOBSA-N	0	1	242.286	0.845	20	30		BCEDMN
C=CCCCN1CCO[C@@H](CNC(C)=O)C1	ZINC000172181113	365299539	/nfs/dbraw/zinc/29/95/39/365299539.db2.gz	RXWAKAQLHAFTKZ-LBPRGKRZSA-N	0	1	226.320	0.790	20	30		BCEDMN
N#CCCOCCN1CCSC[C@H]1CO	ZINC000339060315	365446027	/nfs/dbraw/zinc/44/60/27/365446027.db2.gz	URVYLNZEKVTGBM-SNVBAGLBSA-N	0	1	230.333	0.326	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000182645015	366926286	/nfs/dbraw/zinc/92/62/86/366926286.db2.gz	VVAXPJAJVNPYJZ-ZJUUUORDSA-N	0	1	238.335	0.928	20	30		BCEDMN
N#CCCN[C@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000580770281	367160581	/nfs/dbraw/zinc/16/05/81/367160581.db2.gz	WPHSLFDFUYONBK-GXSJLCMTSA-N	0	1	207.277	0.547	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)COCCOC	ZINC000581140447	367276104	/nfs/dbraw/zinc/27/61/04/367276104.db2.gz	MOVCDVOKEPHGND-MNOVXSKESA-N	0	1	230.308	0.292	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N[C@]2(C#N)CCOC2)C1	ZINC000581201336	367294058	/nfs/dbraw/zinc/29/40/58/367294058.db2.gz	VKGJCULBCDAWGH-PWSUYJOCSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])C1CC1	ZINC000581494042	367523148	/nfs/dbraw/zinc/52/31/48/367523148.db2.gz	TUTPUTHUWHEXHO-JTQLQIEISA-N	0	1	213.277	0.863	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@H](O)C[C@@H]1C	ZINC000384958739	367765784	/nfs/dbraw/zinc/76/57/84/367765784.db2.gz	RHXMETOKUWNMPO-NWDGAFQWSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)[C@H](C)O)nn1	ZINC000581938903	367966131	/nfs/dbraw/zinc/96/61/31/367966131.db2.gz	AQSFPRBYSSUXAE-BDAKNGLRSA-N	0	1	210.281	0.323	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000566509178	326060667	/nfs/dbraw/zinc/06/06/67/326060667.db2.gz	CGRCEYYYVVBTDO-WDEREUQCSA-N	0	1	243.303	0.753	20	30		BCEDMN
CC(C)[N@@H+](C)CC(=O)N1CC[C@](F)(C#N)C1	ZINC000615825835	368462349	/nfs/dbraw/zinc/46/23/49/368462349.db2.gz	SZNIAXPKYKLASX-NSHDSACASA-N	0	1	227.283	0.791	20	30		BCEDMN
N#CCC[C@H](C#N)CNC[C@H](O)C1CC1	ZINC000567111171	326117488	/nfs/dbraw/zinc/11/74/88/326117488.db2.gz	MAPXBEUPIPVFMI-KOLCDFICSA-N	0	1	207.277	0.790	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)C[C@H](C)C#N)CC1	ZINC000068081205	368712783	/nfs/dbraw/zinc/71/27/83/368712783.db2.gz	MBFPMAWCBWLSDW-GFCCVEGCSA-N	0	1	247.342	0.950	20	30		BCEDMN
Cc1cc(C(=O)N(C)C[C@@H](C)C#N)n[nH]1	ZINC000068081228	368713133	/nfs/dbraw/zinc/71/31/33/368713133.db2.gz	FYWBZLUXLULFRQ-ZETCQYMHSA-N	0	1	206.249	0.950	20	30		BCEDMN
N#CCCN1CCC[C@H](CN2CCOCC2)C1	ZINC000069803149	368759949	/nfs/dbraw/zinc/75/99/49/368759949.db2.gz	FXHLIALRFPTINO-ZDUSSCGKSA-N	0	1	237.347	0.944	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000615984360	368854119	/nfs/dbraw/zinc/85/41/19/368854119.db2.gz	FCEDAZYDECVKDP-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000615984457	368854542	/nfs/dbraw/zinc/85/45/42/368854542.db2.gz	LBDRHHIKEZLHGT-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCO[C@@H](C(N)=O)C1	ZINC000618887475	369234379	/nfs/dbraw/zinc/23/43/79/369234379.db2.gz	ZWKLUSCDKNMZGC-VHSXEESVSA-N	0	1	225.292	0.112	20	30		BCEDMN
N#C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C1CC1	ZINC000108831297	369410513	/nfs/dbraw/zinc/41/05/13/369410513.db2.gz	DVGPIJBCJSWZIE-LLVKDONJSA-N	0	1	241.254	0.990	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@@H]1NCc1ccnc(C#N)c1	ZINC000619655523	369508989	/nfs/dbraw/zinc/50/89/89/369508989.db2.gz	SVGZETNBBJUKQH-JOYOIKCWSA-N	0	1	244.298	0.567	20	30		BCEDMN
N#Cc1cccnc1-n1cc(CNC2CC2)nn1	ZINC000600976302	369582426	/nfs/dbraw/zinc/58/24/26/369582426.db2.gz	MONZLHGRUVVJNK-UHFFFAOYSA-N	0	1	240.270	0.786	20	30		BCEDMN
CNC(C)(C)c1cn(-c2ncccc2C#N)nn1	ZINC000600976922	369583776	/nfs/dbraw/zinc/58/37/76/369583776.db2.gz	WSTVOYQTBRXJRA-UHFFFAOYSA-N	0	1	242.286	0.988	20	30		BCEDMN
C[C@@H](Nc1cccc(C#N)n1)C1N=NC(=O)N1C	ZINC000601186908	369602244	/nfs/dbraw/zinc/60/22/44/369602244.db2.gz	GLKCZTWFUYMPEZ-SSDOTTSWSA-N	0	1	244.258	0.960	20	30		BCEDMN
C[C@@H](Nc1ncccc1C#N)C1N=NC(=O)N1C	ZINC000601187030	369602467	/nfs/dbraw/zinc/60/24/67/369602467.db2.gz	LFEJLDVEVARMBY-SSDOTTSWSA-N	0	1	244.258	0.960	20	30		BCEDMN
N#Cc1cncc(N2CC(N3CCCC3)C2)n1	ZINC000601193236	369603555	/nfs/dbraw/zinc/60/35/55/369603555.db2.gz	DBAMZWHBOAGUJI-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
CN1C[C@@H](NCc2cccc(C#N)n2)CC1=O	ZINC000602526367	369805389	/nfs/dbraw/zinc/80/53/89/369805389.db2.gz	JXRMTKXDMWPPML-NSHDSACASA-N	0	1	230.271	0.274	20	30		BCEDMN
CNC(=O)CCNCc1cccc(C#N)n1	ZINC000602532236	369808628	/nfs/dbraw/zinc/80/86/28/369808628.db2.gz	SACRRKHGCJMZLI-UHFFFAOYSA-N	0	1	218.260	0.179	20	30		BCEDMN
N#Cc1cccc(CN[C@@H]2C=C[C@H](CO)C2)n1	ZINC000602588576	369818534	/nfs/dbraw/zinc/81/85/34/369818534.db2.gz	OIEICTGOOYKNBA-WDEREUQCSA-N	0	1	229.283	0.980	20	30		BCEDMN
CNC(=O)C[C@@H](C)NCc1cccc(C#N)n1	ZINC000602685083	369841097	/nfs/dbraw/zinc/84/10/97/369841097.db2.gz	XWCSMSUJNKPGTC-SECBINFHSA-N	0	1	232.287	0.567	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](C(N)=O)C2)n1	ZINC000602427186	369786869	/nfs/dbraw/zinc/78/68/69/369786869.db2.gz	DJHAFNYFGOJSLA-SECBINFHSA-N	0	1	230.271	0.260	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@H]2CO)n1	ZINC000602450177	369789784	/nfs/dbraw/zinc/78/97/84/369789784.db2.gz	VGFWIOXCUZMCMJ-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
N#Cc1cccc(CN[C@H]2C[C@H](O)C2)n1	ZINC000602717625	369847701	/nfs/dbraw/zinc/84/77/01/369847701.db2.gz	PLGZCEWKQGQCMT-XYPYZODXSA-N	0	1	203.245	0.566	20	30		BCEDMN
COC[C@](C)(CO)NCc1ccnc(C#N)c1	ZINC000602932601	369866520	/nfs/dbraw/zinc/86/65/20/369866520.db2.gz	QIYJUGQWYDTLMA-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
CN[C@H](C)c1cn(Cc2ccc(C#N)cn2)nn1	ZINC000603224459	369899796	/nfs/dbraw/zinc/89/97/96/369899796.db2.gz	ZKXFUKFWGKKMGH-SECBINFHSA-N	0	1	242.286	0.873	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000620591145	369943292	/nfs/dbraw/zinc/94/32/92/369943292.db2.gz	KDRBPQJPAZTHHS-RKDXNWHRSA-N	0	1	223.276	0.251	20	30		BCEDMN
C=CCN(CCS(=O)(=O)NC)C(C)(C)C	ZINC000621321446	370249783	/nfs/dbraw/zinc/24/97/83/370249783.db2.gz	IGSOYJFTEHLLMB-UHFFFAOYSA-N	0	1	234.365	0.822	20	30		BCEDMN
Cc1cc(CNc2ccc(C#N)nn2)n[nH]1	ZINC000309874421	370271047	/nfs/dbraw/zinc/27/10/47/370271047.db2.gz	SABNYRJTGNLCTR-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
N#Cc1cncnc1N1CCN(CC2CC2)CC1	ZINC000310635092	370359482	/nfs/dbraw/zinc/35/94/82/370359482.db2.gz	QACZZKNVODTHKK-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
CN1CCN(c2cc(C#N)ncn2)CC1(C)C	ZINC000310397981	370343088	/nfs/dbraw/zinc/34/30/88/370343088.db2.gz	TUSCGYNRBBIQFQ-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
N#Cc1cnc(NCCc2nc[nH]n2)cn1	ZINC000070646475	371050327	/nfs/dbraw/zinc/05/03/27/371050327.db2.gz	RLMXBJKNCGAPII-UHFFFAOYSA-N	0	1	215.220	0.121	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1[nH]nc2c1CCCC2	ZINC000125390424	371339133	/nfs/dbraw/zinc/33/91/33/371339133.db2.gz	GVYWNQSGLFABGG-ZETCQYMHSA-N	0	1	218.260	0.930	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(CCOC)s1	ZINC000631178337	372219404	/nfs/dbraw/zinc/21/94/04/372219404.db2.gz	XCJOBBFLYWUKBL-SECBINFHSA-N	0	1	242.344	0.969	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CCc1nn[nH]n1	ZINC000631343529	372302940	/nfs/dbraw/zinc/30/29/40/372302940.db2.gz	FFWJPKAEDYZJJC-SSDOTTSWSA-N	0	1	209.253	0.213	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCC1(N(C)C)CC1	ZINC000632489075	372969128	/nfs/dbraw/zinc/96/91/28/372969128.db2.gz	ZJLUJXACWQIWGO-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CCCCNC(=O)CCc1nn[nH]n1	ZINC000632798506	373148620	/nfs/dbraw/zinc/14/86/20/373148620.db2.gz	WNEDGAAMEYQPHR-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
C=C(C)COCCNS(=O)(=O)c1ncc[nH]1	ZINC000381196084	373991624	/nfs/dbraw/zinc/99/16/24/373991624.db2.gz	ZZQMOIBXTLBOSH-UHFFFAOYSA-N	0	1	245.304	0.281	20	30		BCEDMN
C=CCSCCNC(=O)c1cnn[nH]1	ZINC000194477954	206091761	/nfs/dbraw/zinc/09/17/61/206091761.db2.gz	QMPBEBHPNJILHN-UHFFFAOYSA-N	0	1	212.278	0.454	20	30		BCEDMN
C=CCNC(=O)CN1CCCC[C@H]1CO	ZINC000049751338	384031038	/nfs/dbraw/zinc/03/10/38/384031038.db2.gz	VQLRSVNDXPEAPR-JTQLQIEISA-N	0	1	212.293	0.135	20	30		BCEDMN
N#CCCN1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000408033790	384175914	/nfs/dbraw/zinc/17/59/14/384175914.db2.gz	PQFAPTGHIRLAFN-QWRGUYRKSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCNC(=O)CN1CCCO[C@@H]2CCC[C@H]21	ZINC000363412595	134398464	/nfs/dbraw/zinc/39/84/64/134398464.db2.gz	QXKIVACJRFBVPA-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
CN(Cc1cccc(C#N)c1)[C@@H]1COC[C@H]1O	ZINC000285873666	384226893	/nfs/dbraw/zinc/22/68/93/384226893.db2.gz	JCFYMMLQDBGEAW-CHWSQXEVSA-N	0	1	232.283	0.750	20	30		BCEDMN
C#CCN(CC#CC)C(=O)c1cnc[nH]1	ZINC000490675927	384316586	/nfs/dbraw/zinc/31/65/86/384316586.db2.gz	GFVGKBZRRQNHLE-UHFFFAOYSA-N	0	1	201.229	0.508	20	30		BCEDMN
N#CCCCN1CCC[C@H]2C(=O)NC[C@H]21	ZINC000300077168	384292268	/nfs/dbraw/zinc/29/22/68/384292268.db2.gz	ZAXOPSBGBSSSBQ-NXEZZACHSA-N	0	1	207.277	0.501	20	30		BCEDMN
C#CCCN1CCOC2(CCOCC2)C1	ZINC000367012682	533053873	/nfs/dbraw/zinc/05/38/73/533053873.db2.gz	CTXYOIBRSBQHTB-UHFFFAOYSA-N	0	1	209.289	0.891	20	30		BCEDMN
C[C@@H]1CN(CCCSCC#N)C[C@@H](CO)O1	ZINC000248892366	384403826	/nfs/dbraw/zinc/40/38/26/384403826.db2.gz	ZFTRATKODZGJSO-MNOVXSKESA-N	0	1	244.360	0.715	20	30		BCEDMN
C#C[C@@H](CC)NS(=O)(=O)CCN1CCCC1	ZINC000490742190	384376360	/nfs/dbraw/zinc/37/63/60/384376360.db2.gz	XWRFBAVTIYPIEI-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)[C@@H](C)OC	ZINC000490876402	384454284	/nfs/dbraw/zinc/45/42/84/384454284.db2.gz	UHUXSYKEMGCIIM-MNOVXSKESA-N	0	1	225.288	0.662	20	30		BCEDMN
CCN(CC(=O)NC1(C#N)CC1)C1CC1	ZINC000533540883	384524900	/nfs/dbraw/zinc/52/49/00/384524900.db2.gz	YYWPPXQRWHMKKM-UHFFFAOYSA-N	0	1	207.277	0.643	20	30		BCEDMN
COC[C@@H](CO)NCc1ccc(C#N)s1	ZINC000234868820	384569469	/nfs/dbraw/zinc/56/94/69/384569469.db2.gz	VJRGNGXFBIYCBX-MRVPVSSYSA-N	0	1	226.301	0.717	20	30		BCEDMN
C=C(C)CCN1CCO[C@H](CNC(=O)NC)C1	ZINC000528623951	384600460	/nfs/dbraw/zinc/60/04/60/384600460.db2.gz	UOSKUHREEAYCNO-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
N#CCNC(=O)CN1CCc2ccccc2CC1	ZINC000116301318	384708927	/nfs/dbraw/zinc/70/89/27/384708927.db2.gz	MZJYFDQXPGGOCK-UHFFFAOYSA-N	0	1	243.310	0.727	20	30		BCEDMN
C[C@@H]1C[C@@H](Nc2ncncc2C#N)C[N@H+]1C1CC1	ZINC000565890201	384718284	/nfs/dbraw/zinc/71/82/84/384718284.db2.gz	OSGXWGWKCCOAMB-MWLCHTKSSA-N	0	1	243.314	0.807	20	30		BCEDMN
C#C[C@H](C)N(C)CCCS(=O)(=O)N(C)C	ZINC000491792568	384732188	/nfs/dbraw/zinc/73/21/88/384732188.db2.gz	GNGXXFKFNWJMIA-JTQLQIEISA-N	0	1	232.349	0.221	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)NCC1CC1	ZINC000297382050	384796973	/nfs/dbraw/zinc/79/69/73/384796973.db2.gz	GKPXIHGDXPSETK-UHFFFAOYSA-N	0	1	223.320	0.651	20	30		BCEDMN
C=CCCS(=O)(=O)N1CC[C@@H]2CN(C)C[C@@H]21	ZINC000644298927	384810654	/nfs/dbraw/zinc/81/06/54/384810654.db2.gz	IBOMUXZOTMLFDY-MNOVXSKESA-N	0	1	244.360	0.528	20	30		BCEDMN
C[C@@]1(C(N)=O)CCN(C[C@H](C#N)CCC#N)C1	ZINC000361561878	384882107	/nfs/dbraw/zinc/88/21/07/384882107.db2.gz	GWNYXHYPUDNAGJ-CMPLNLGQSA-N	0	1	234.303	0.627	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000260014482	384971759	/nfs/dbraw/zinc/97/17/59/384971759.db2.gz	QCZFSAJGEWXMGV-HBNTYKKESA-N	0	1	221.304	0.889	20	30		BCEDMN
C#CCNC(=O)CCNCc1cnc(CC)o1	ZINC000491483345	384987054	/nfs/dbraw/zinc/98/70/54/384987054.db2.gz	BEUFUEOOZJYFLV-UHFFFAOYSA-N	0	1	235.287	0.466	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1	ZINC000246096001	385107455	/nfs/dbraw/zinc/10/74/55/385107455.db2.gz	IPZUHIGDBBJZOP-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCO1	ZINC000246096001	385107458	/nfs/dbraw/zinc/10/74/58/385107458.db2.gz	IPZUHIGDBBJZOP-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCN(C)[C@H](C)[C@H]1C	ZINC000491616839	385160965	/nfs/dbraw/zinc/16/09/65/385160965.db2.gz	BWQSOZRXUINKTE-VXGBXAGGSA-N	0	1	237.347	0.150	20	30		BCEDMN
CCCC(N)=NOCCCN1C(=O)CNC1=O	ZINC000153252521	385243879	/nfs/dbraw/zinc/24/38/79/385243879.db2.gz	ITMHTFXTXWTYFI-UHFFFAOYSA-N	0	1	242.279	0.017	20	30		BCEDMN
CC(C)N1CCN(c2cncc(C#N)n2)CC1	ZINC000401423584	385306114	/nfs/dbraw/zinc/30/61/14/385306114.db2.gz	TUZNYOXLTCKYOL-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H](O)CN1CCN(Cc2ccc(C#N)o2)CC1	ZINC000189849554	385308363	/nfs/dbraw/zinc/30/83/63/385308363.db2.gz	SLGJUBPFCRYUDH-NSHDSACASA-N	0	1	249.314	0.650	20	30		BCEDMN
N#CCN1CCN(C[C@@H]2CCC=CO2)CC1	ZINC000191073373	385281283	/nfs/dbraw/zinc/28/12/83/385281283.db2.gz	NVQPYVKNWLVWIM-LBPRGKRZSA-N	0	1	221.304	0.820	20	30		BCEDMN
CN(CCC#N)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000407995775	385335885	/nfs/dbraw/zinc/33/58/85/385335885.db2.gz	JRKYPBNHPBWTMI-MRVPVSSYSA-N	0	1	233.275	0.282	20	30		BCEDMN
CN(CCC#N)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000407995775	385335889	/nfs/dbraw/zinc/33/58/89/385335889.db2.gz	JRKYPBNHPBWTMI-MRVPVSSYSA-N	0	1	233.275	0.282	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cccc(C#N)n3)C[C@H]21	ZINC000407995702	385337033	/nfs/dbraw/zinc/33/70/33/385337033.db2.gz	IULCJMRLAGUISP-NEPJUHHUSA-N	0	1	244.298	0.472	20	30		BCEDMN
OC[C@@]1(O)CCCN(CC#Cc2ccccc2)C1	ZINC000313683307	385442840	/nfs/dbraw/zinc/44/28/40/385442840.db2.gz	PAODWBJCGCJRPO-OAHLLOKOSA-N	0	1	245.322	0.857	20	30		BCEDMN
C#CCN(CC)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000366096677	533132259	/nfs/dbraw/zinc/13/22/59/533132259.db2.gz	YKXPYAPUCPCGRW-SNVBAGLBSA-N	0	1	246.314	0.932	20	30		BCEDMN
C[C@H]1CN(c2nccc(C#N)n2)[C@@H](C)CN1C	ZINC000408455803	385688002	/nfs/dbraw/zinc/68/80/02/385688002.db2.gz	FIFZYTKOMFKAHY-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(c2nccc(C#N)n2)[C@H](C)CN1C	ZINC000408455802	385689219	/nfs/dbraw/zinc/68/92/19/385689219.db2.gz	FIFZYTKOMFKAHY-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCc2nn(C)cc21	ZINC000309585534	385718219	/nfs/dbraw/zinc/71/82/19/385718219.db2.gz	SCOSCNYBQDZYDJ-MWLCHTKSSA-N	0	1	221.304	0.934	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC(C)(CO)CC1	ZINC000186955867	385818671	/nfs/dbraw/zinc/81/86/71/385818671.db2.gz	MJEDQXUXZNKDKS-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1cnc(C#N)cn1	ZINC000228849308	385849738	/nfs/dbraw/zinc/84/97/38/385849738.db2.gz	UHQZFHDRJIXMIH-VIFPVBQESA-N	0	1	217.276	0.489	20	30		BCEDMN
C[C@@H](C#N)CN(C)CC1(O)CCOCC1	ZINC000123733529	385913291	/nfs/dbraw/zinc/91/32/91/385913291.db2.gz	GPAAFLDMZGJRTF-JTQLQIEISA-N	0	1	212.293	0.619	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@]2(C1)CCCOC2	ZINC000341990138	385915239	/nfs/dbraw/zinc/91/52/39/385915239.db2.gz	KLEASERGGJGSHC-LBPRGKRZSA-N	0	1	237.303	0.129	20	30		BCEDMN
C#CCN1CCC[C@H](N2CCNC2=O)C1	ZINC000368807177	533154944	/nfs/dbraw/zinc/15/49/44/533154944.db2.gz	VVZSBSZREWCIMI-JTQLQIEISA-N	0	1	207.277	0.109	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H]1CCCN1C1CC1	ZINC000280356962	386344789	/nfs/dbraw/zinc/34/47/89/386344789.db2.gz	VBSHRVUIZYHXRK-MWLCHTKSSA-N	0	1	206.289	0.751	20	30		BCEDMN
C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)NC	ZINC000181288497	386348432	/nfs/dbraw/zinc/34/84/32/386348432.db2.gz	MDAACEOYDPLFIN-QMMMGPOBSA-N	0	1	213.281	0.338	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC=C(C)C1	ZINC000280926457	386359148	/nfs/dbraw/zinc/35/91/48/386359148.db2.gz	UOOBSTJQMIPKEX-NSHDSACASA-N	0	1	206.289	0.776	20	30		BCEDMN
CC#CC[C@@H](CO)Nc1ncnc2[nH]cnc21	ZINC000645403755	386451240	/nfs/dbraw/zinc/45/12/40/386451240.db2.gz	PYMJRCWPZWPDTQ-QMMMGPOBSA-N	0	1	231.259	0.539	20	30		BCEDMN
O=C(NCCN1CCC1)N[C@@H]1CCCOC1	ZINC000328735349	386620858	/nfs/dbraw/zinc/62/08/58/386620858.db2.gz	YYVDYTINYCWISS-SNVBAGLBSA-N	0	1	227.308	0.375	20	30		BCEDMN
COCCN1CC[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC000328798800	386627381	/nfs/dbraw/zinc/62/73/81/386627381.db2.gz	WZXDMWSXCZMOFH-WDEREUQCSA-N	0	1	242.319	0.843	20	30		BCEDMN
N#CC1(CN2CCOC[C@@H]2c2nnc[nH]2)CC1	ZINC000328902670	386638312	/nfs/dbraw/zinc/63/83/12/386638312.db2.gz	GWUYWSKTWUSGKX-SECBINFHSA-N	0	1	233.275	0.482	20	30		BCEDMN
O=C(N[C@@H]1CCN(C2CC2)C1)c1cnc[nH]1	ZINC000328727459	386617596	/nfs/dbraw/zinc/61/75/96/386617596.db2.gz	GIQODNFQWATRFV-MRVPVSSYSA-N	0	1	220.276	0.951	20	30		BCEDMN
C=CCOCCN(C)[C@H]1CCN(CC=C)C1=O	ZINC000294011001	386673926	/nfs/dbraw/zinc/67/39/26/386673926.db2.gz	GRZPCXWZTUIYHU-LBPRGKRZSA-N	0	1	238.331	0.908	20	30		BCEDMN
CC[C@@H](O)CN1CCN(CCC#N)CC1	ZINC000330363592	386675304	/nfs/dbraw/zinc/67/53/04/386675304.db2.gz	LDAYQVZMPNMGET-LLVKDONJSA-N	0	1	211.309	0.289	20	30		BCEDMN
CC#CCN(C)C[C@@](C)(O)C(=O)OCC	ZINC000293261185	386793911	/nfs/dbraw/zinc/79/39/11/386793911.db2.gz	UMBLBXURLFSMEQ-LLVKDONJSA-N	0	1	213.277	0.256	20	30		BCEDMN
Cc1[nH]nc(C(=O)N(C)CCC#N)c1[N+](=O)[O-]	ZINC000330599011	386805646	/nfs/dbraw/zinc/80/56/46/386805646.db2.gz	FVFKEKVYXLZHNS-UHFFFAOYSA-N	0	1	237.219	0.612	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@H](O)CCC)C1=O	ZINC000450909845	386829132	/nfs/dbraw/zinc/82/91/32/386829132.db2.gz	UGQHXMLONKHDQN-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)Cn1cccn1	ZINC000330802254	386892658	/nfs/dbraw/zinc/89/26/58/386892658.db2.gz	ARXQUAYMYCVOSX-TUAOUCFPSA-N	0	1	234.303	0.526	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)CCc1cnc[nH]1	ZINC000330724984	386869177	/nfs/dbraw/zinc/86/91/77/386869177.db2.gz	DNTDTQTWULWEGG-SECBINFHSA-N	0	1	220.276	0.960	20	30		BCEDMN
OCCN1CCN(CC#Cc2ccccc2)CC1	ZINC000051814890	386869458	/nfs/dbraw/zinc/86/94/58/386869458.db2.gz	LHNDNAQJYBAHRI-UHFFFAOYSA-N	0	1	244.338	0.648	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCC1(C#N)CCC1	ZINC000334897565	386970817	/nfs/dbraw/zinc/97/08/17/386970817.db2.gz	JGCRSIRDEYDOIY-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CCN1	ZINC000334946743	387109141	/nfs/dbraw/zinc/10/91/41/387109141.db2.gz	YRPZDRJAMFEBGM-SNVBAGLBSA-N	0	1	236.319	0.684	20	30		BCEDMN
C#Cc1ccc(CN[C@@H](C)C(=O)NC)cc1	ZINC000292831753	387182095	/nfs/dbraw/zinc/18/20/95/387182095.db2.gz	RGSUKWPBEQGNQW-JTQLQIEISA-N	0	1	216.284	0.892	20	30		BCEDMN
N#CCC(=O)N1CCN(CC2CCC2)CC1	ZINC000572012451	387220496	/nfs/dbraw/zinc/22/04/96/387220496.db2.gz	PKTYCVNAJFFAOU-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
C[C@H](CCC#N)N[C@@H](CO)c1cnn(C)c1	ZINC000514733250	387281935	/nfs/dbraw/zinc/28/19/35/387281935.db2.gz	HNIFHDUGDMVIOE-KOLCDFICSA-N	0	1	222.292	0.735	20	30		BCEDMN
Cn1cc(CN2CCN(CCO)CC2)cc1C#N	ZINC000191147002	387349675	/nfs/dbraw/zinc/34/96/75/387349675.db2.gz	FKIDAKONCZSYGJ-UHFFFAOYSA-N	0	1	248.330	0.007	20	30		BCEDMN
C=C(C)CCN1CCn2c(n[nH]c2=O)C1	ZINC000336528553	387353607	/nfs/dbraw/zinc/35/36/07/387353607.db2.gz	PXBUIIIASGJZRH-UHFFFAOYSA-N	0	1	208.265	0.766	20	30		BCEDMN
CC#CCN[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000272969040	387453710	/nfs/dbraw/zinc/45/37/10/387453710.db2.gz	GYRVDZYVMCCKLV-LBPRGKRZSA-N	0	1	234.274	0.835	20	30		BCEDMN
C#C[C@H](C)N[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000274844858	387495492	/nfs/dbraw/zinc/49/54/92/387495492.db2.gz	XGXQMUPHPKNJQS-JOYOIKCWSA-N	0	1	234.274	0.833	20	30		BCEDMN
N#CC1(CNC(=O)NCCN2CCC2)CCC1	ZINC000520773572	387543318	/nfs/dbraw/zinc/54/33/18/387543318.db2.gz	DCMUTPBDCQCPEE-UHFFFAOYSA-N	0	1	236.319	0.685	20	30		BCEDMN
C#CCCN1CCNC(=O)[C@@H]1CC(C)C	ZINC000275543045	387510456	/nfs/dbraw/zinc/51/04/56/387510456.db2.gz	ZEBYGTYJQRCYPL-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CCSc1nnc(C)[nH]1	ZINC000274769951	387492442	/nfs/dbraw/zinc/49/24/42/387492442.db2.gz	RJNBYAVCJLJBHM-SSDOTTSWSA-N	0	1	238.316	0.733	20	30		BCEDMN
C=C(C)CCN1CCO[C@@H](CNC(C)=O)C1	ZINC000274795143	387493396	/nfs/dbraw/zinc/49/33/96/387493396.db2.gz	PHOHSCLFWWCAEN-LBPRGKRZSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(Cl)C[N@H+]1CC[C@]2(CNC(=O)C2)C1	ZINC000278939525	387559318	/nfs/dbraw/zinc/55/93/18/387559318.db2.gz	UIESXAHJQPBXSD-JTQLQIEISA-N	0	1	214.696	0.951	20	30		BCEDMN
C=C(Cl)CN1CC[C@]2(CNC(=O)C2)C1	ZINC000278939525	387559322	/nfs/dbraw/zinc/55/93/22/387559322.db2.gz	UIESXAHJQPBXSD-JTQLQIEISA-N	0	1	214.696	0.951	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)Nc1nnc(C)[nH]1	ZINC000279468619	387566296	/nfs/dbraw/zinc/56/62/96/387566296.db2.gz	PNEUFXUTSAUPIU-SECBINFHSA-N	0	1	210.237	0.379	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)CCCO	ZINC000440939822	387712234	/nfs/dbraw/zinc/71/22/34/387712234.db2.gz	FCNDQJGJYMIZQC-UHFFFAOYSA-N	0	1	227.308	0.063	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CCC[C@H](O)C1	ZINC000049773466	387787241	/nfs/dbraw/zinc/78/72/41/387787241.db2.gz	VGSDPACASRTFFQ-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](O)C1	ZINC000049773468	387788435	/nfs/dbraw/zinc/78/84/35/387788435.db2.gz	VGSDPACASRTFFQ-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=C(C)CCNC(=O)CN1CCN(CC)CC1	ZINC000452717555	387896114	/nfs/dbraw/zinc/89/61/14/387896114.db2.gz	LVTVZCIRQZKERQ-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCC[C@H]1CN(C)C	ZINC000435226582	387896112	/nfs/dbraw/zinc/89/61/12/387896112.db2.gz	PEOYAMRHIOOQAG-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1nccnc1C#N	ZINC000354102725	387897297	/nfs/dbraw/zinc/89/72/97/387897297.db2.gz	KLJWGEIISDIACV-UHFFFAOYSA-N	0	1	215.220	0.103	20	30		BCEDMN
C=C(C)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000452720699	387897430	/nfs/dbraw/zinc/89/74/30/387897430.db2.gz	XQJZYJLAVGGINS-LBPRGKRZSA-N	0	1	237.347	0.459	20	30		BCEDMN
C=CCn1cc(CNC2CCOCC2)nn1	ZINC000424175214	387879223	/nfs/dbraw/zinc/87/92/23/387879223.db2.gz	SYMWVHGEOFAHDO-UHFFFAOYSA-N	0	1	222.292	0.733	20	30		BCEDMN
C[C@@H](C[S@](C)=O)N(C)CCCC#N	ZINC000185115567	387954164	/nfs/dbraw/zinc/95/41/64/387954164.db2.gz	UNPHTEVXSQXVJS-ZANVPECISA-N	0	1	202.323	0.989	20	30		BCEDMN
Cc1[nH]ncc1CNS(=O)(=O)CCCC#N	ZINC000439199364	387983433	/nfs/dbraw/zinc/98/34/33/387983433.db2.gz	MOIAUINRSZJQOP-UHFFFAOYSA-N	0	1	242.304	0.441	20	30		BCEDMN
CN(CC(=O)N(CCC#N)CCC#N)C1CC1	ZINC000065588646	387983892	/nfs/dbraw/zinc/98/38/92/387983892.db2.gz	DCOUIZOTHGPOHB-UHFFFAOYSA-N	0	1	234.303	0.737	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H](C)O	ZINC000245801225	387984161	/nfs/dbraw/zinc/98/41/61/387984161.db2.gz	PIOPTFFZRZSARU-VHSXEESVSA-N	0	1	227.308	0.060	20	30		BCEDMN
CC#CCN1C[C@H](OCCOC)C[C@H](CO)C1	ZINC000447391560	388068638	/nfs/dbraw/zinc/06/86/38/388068638.db2.gz	KANATPHFAQUKBK-QWHCGFSZSA-N	0	1	241.331	0.356	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1nccnc1OC	ZINC000449212088	388157689	/nfs/dbraw/zinc/15/76/89/388157689.db2.gz	ZCEPZEOKIGGXGO-SNVBAGLBSA-N	0	1	237.303	0.759	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1nc[nH]n1)C(C)C	ZINC000490630506	388244182	/nfs/dbraw/zinc/24/41/82/388244182.db2.gz	QWGBJHVANFVRAF-VIFPVBQESA-N	0	1	220.276	0.511	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000490669611	388246743	/nfs/dbraw/zinc/24/67/43/388246743.db2.gz	IAKBAILLXSTXQV-NSHDSACASA-N	0	1	223.320	0.601	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(O)(CC)CC1	ZINC000490691768	388247500	/nfs/dbraw/zinc/24/75/00/388247500.db2.gz	XKIPUMSHGNLPME-NSHDSACASA-N	0	1	238.331	0.361	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CN(CC)C1CC1	ZINC000491285495	388282310	/nfs/dbraw/zinc/28/23/10/388282310.db2.gz	CZGPQVSPLKDDPI-JTQLQIEISA-N	0	1	208.305	0.951	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@@]2(C1)CCCOC2	ZINC000341990137	256631455	/nfs/dbraw/zinc/63/14/55/256631455.db2.gz	KLEASERGGJGSHC-GFCCVEGCSA-N	0	1	237.303	0.129	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)Nc1cccnc1	ZINC000491514759	388300292	/nfs/dbraw/zinc/30/02/92/388300292.db2.gz	JWTRRMGWJHJBFS-UHFFFAOYSA-N	0	1	241.294	0.979	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H]1CCCNC1=O	ZINC000491542527	388302513	/nfs/dbraw/zinc/30/25/13/388302513.db2.gz	APVAMGUCRCIJDX-LBPRGKRZSA-N	0	1	218.300	0.471	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C	ZINC000491626042	388305938	/nfs/dbraw/zinc/30/59/38/388305938.db2.gz	IFAVZWDDCYQSFR-HLTSFMKQSA-N	0	1	224.260	0.816	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)COc1ccc(C)cc1	ZINC000491628028	388306079	/nfs/dbraw/zinc/30/60/79/388306079.db2.gz	KJLDOVPIQNMCOP-STQMWFEESA-N	0	1	249.310	0.318	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)COc1ccc(C)cc1	ZINC000491628023	388306248	/nfs/dbraw/zinc/30/62/48/388306248.db2.gz	KJLDOVPIQNMCOP-OLZOCXBDSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)[C@H](C)N1CC(C)C1	ZINC000491672295	388309771	/nfs/dbraw/zinc/30/97/71/388309771.db2.gz	TWSQKYRLGRFPMG-NWDGAFQWSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#CCO[C@H](C)C(=O)OC[C@H]1CCCN1CC#C	ZINC000491672261	388309957	/nfs/dbraw/zinc/30/99/57/388309957.db2.gz	ROXHWZMSBQGDHT-CHWSQXEVSA-N	0	1	249.310	0.666	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](CCC)C1	ZINC000491677929	388310185	/nfs/dbraw/zinc/31/01/85/388310185.db2.gz	RYBZTSAPPBXAQO-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H]1CCCc2c[nH]nc21	ZINC000491695758	388311696	/nfs/dbraw/zinc/31/16/96/388311696.db2.gz	HXWDZUQUYWLNOR-LLVKDONJSA-N	0	1	246.314	0.516	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](OC(C)C)C1	ZINC000491700777	388312660	/nfs/dbraw/zinc/31/26/60/388312660.db2.gz	PCKPXPGVJAUUDA-VXGBXAGGSA-N	0	1	238.331	0.624	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(F)cc1F	ZINC000491724877	388314729	/nfs/dbraw/zinc/31/47/29/388314729.db2.gz	HFFZWQSYANEGNZ-SKDRFNHKSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccc(F)cc1F	ZINC000491724870	388314746	/nfs/dbraw/zinc/31/47/46/388314746.db2.gz	HFFZWQSYANEGNZ-BXKDBHETSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#CCN(CC#C)C(=O)CCc1cnc[nH]1	ZINC000491728595	388315211	/nfs/dbraw/zinc/31/52/11/388315211.db2.gz	HOPCWRFOZLSXPS-UHFFFAOYSA-N	0	1	215.256	0.437	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000491775715	388319636	/nfs/dbraw/zinc/31/96/36/388319636.db2.gz	VJMSXSUEYLMHDG-GHMZBOCLSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCNC(=O)CCN[C@H](C)c1nccn1CC	ZINC000491780530	388320464	/nfs/dbraw/zinc/32/04/64/388320464.db2.gz	DPEWRTWHUDIFEP-LLVKDONJSA-N	0	1	248.330	0.693	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(C)C2)CC1	ZINC000491043981	388267203	/nfs/dbraw/zinc/26/72/03/388267203.db2.gz	FQYHSWHUOAYNIP-UHFFFAOYSA-N	0	1	220.316	0.810	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(CC)C[C@H]1CCCO1	ZINC000491166905	388274332	/nfs/dbraw/zinc/27/43/32/388274332.db2.gz	VCKMCJIKZMEIFC-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
COC[C@@H](CNCc1ccc(C#N)o1)OC	ZINC000227706327	388370131	/nfs/dbraw/zinc/37/01/31/388370131.db2.gz	HEHKDNJHQIQKLO-LLVKDONJSA-N	0	1	224.260	0.902	20	30		BCEDMN
COC[C@@H](CCO)NCc1ccc(C#N)o1	ZINC000164634643	388395047	/nfs/dbraw/zinc/39/50/47/388395047.db2.gz	OJFPQOYKOBYZRC-SECBINFHSA-N	0	1	224.260	0.638	20	30		BCEDMN
N#CC1CCN(C[C@@H](O)CC2(O)CCC2)CC1	ZINC000528366299	388450396	/nfs/dbraw/zinc/45/03/96/388450396.db2.gz	UNNYRQQEMTULFO-LBPRGKRZSA-N	0	1	238.331	0.888	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)Cc1cnn(C)c1	ZINC000649224609	388462553	/nfs/dbraw/zinc/46/25/53/388462553.db2.gz	UTHVDSRWOPPIPP-NSHDSACASA-N	0	1	209.293	0.789	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(CC2CC2)CC1	ZINC000646691277	388418605	/nfs/dbraw/zinc/41/86/05/388418605.db2.gz	UTZRHPVPYLHJNK-LLVKDONJSA-N	0	1	224.304	0.088	20	30		BCEDMN
C[C@H](C[S@](C)=O)[N@@H+](C)CCOCCC#N	ZINC000339083422	388479473	/nfs/dbraw/zinc/47/94/73/388479473.db2.gz	JEOQIVCQAXGAPA-BMIGLBTASA-N	0	1	232.349	0.615	20	30		BCEDMN
C[C@H](C[S@](C)=O)N(C)CCOCCC#N	ZINC000339083422	388479476	/nfs/dbraw/zinc/47/94/76/388479476.db2.gz	JEOQIVCQAXGAPA-BMIGLBTASA-N	0	1	232.349	0.615	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)C[C@@H](C)O)CC1	ZINC000177437318	388484102	/nfs/dbraw/zinc/48/41/02/388484102.db2.gz	LWWLILHGZNNFFC-LLVKDONJSA-N	0	1	238.331	0.171	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1ccc(C#N)cn1	ZINC000598161204	388561438	/nfs/dbraw/zinc/56/14/38/388561438.db2.gz	CIDPORQMFREBRW-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1ccc(C#N)nc1	ZINC000359962708	388632426	/nfs/dbraw/zinc/63/24/26/388632426.db2.gz	GSFBHFQKHKZYQC-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1cnc(C#N)cn1	ZINC000555241829	388744943	/nfs/dbraw/zinc/74/49/43/388744943.db2.gz	VCWGQNZYTRIACA-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1cc(C#N)ncn1	ZINC000555804965	388823792	/nfs/dbraw/zinc/82/37/92/388823792.db2.gz	YQOSGJJUGAILNR-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H](C#N)NC(=O)CN1CCC(C)(C)C1	ZINC000565188476	388923584	/nfs/dbraw/zinc/92/35/84/388923584.db2.gz	CFQXVIWJLXVHRS-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
CCN1C[C@@H](C)N(C(=O)CC#N)[C@@H](C)C1	ZINC000565207999	388925776	/nfs/dbraw/zinc/92/57/76/388925776.db2.gz	IFNBYNXDBMMQGI-AOOOYVTPSA-N	0	1	209.293	0.841	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)CSC	ZINC000565841942	388973058	/nfs/dbraw/zinc/97/30/58/388973058.db2.gz	NIHQNWPHUNQMBG-IUCAKERBSA-N	0	1	202.323	0.992	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000368196522	533293298	/nfs/dbraw/zinc/29/32/98/533293298.db2.gz	UGIKVKAAYYOSAS-DTWKUNHWSA-N	0	1	232.287	0.588	20	30		BCEDMN
C=C(C)CN(C)CC(=O)N1CCNC1=O	ZINC000181276818	533495232	/nfs/dbraw/zinc/49/52/32/533495232.db2.gz	DMUIAIQXZBMHMF-UHFFFAOYSA-N	0	1	211.265	0.046	20	30		BCEDMN
N#Cc1nccnc1N1CCN(CC2CC2)CC1	ZINC000054379312	132233917	/nfs/dbraw/zinc/23/39/17/132233917.db2.gz	DXUALVNQCINVLL-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
Cc1cc(CC(=O)N[C@H](C#N)C2CC2)[nH]n1	ZINC000331635262	134001075	/nfs/dbraw/zinc/00/10/75/134001075.db2.gz	IQFALKXKBPCQQX-SNVBAGLBSA-N	0	1	218.260	0.679	20	30		BCEDMN
C=CCN([C@@H](C)C(=O)NC(=O)NCC)C1CC1	ZINC000331754100	134001522	/nfs/dbraw/zinc/00/15/22/134001522.db2.gz	LFROVOBNXJZYQK-VIFPVBQESA-N	0	1	239.319	0.871	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CCCC#N)C1	ZINC000332445314	134004851	/nfs/dbraw/zinc/00/48/51/134004851.db2.gz	XTHNIVKXXBPWGX-ZJUUUORDSA-N	0	1	235.291	0.870	20	30		BCEDMN
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1	ZINC000351959318	134018268	/nfs/dbraw/zinc/01/82/68/134018268.db2.gz	OOVNKZKMVOUICJ-GHMZBOCLSA-N	0	1	239.319	0.061	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](O)C1	ZINC000351959318	134018269	/nfs/dbraw/zinc/01/82/69/134018269.db2.gz	OOVNKZKMVOUICJ-GHMZBOCLSA-N	0	1	239.319	0.061	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@H]1CCCN1C1CC1	ZINC000336102845	134083857	/nfs/dbraw/zinc/08/38/57/134083857.db2.gz	GCXLGTPGYUJTSC-WCBMZHEXSA-N	0	1	207.277	0.641	20	30		BCEDMN
CCN1C[C@H](C)N(C(=O)CC#N)C[C@@H]1C	ZINC000336347886	134144275	/nfs/dbraw/zinc/14/42/75/134144275.db2.gz	PEOYDDLFVTYAPN-UWVGGRQHSA-N	0	1	209.293	0.841	20	30		BCEDMN
COC[C@H](O)CN1CCC(F)(C#N)CC1	ZINC000352441857	134145353	/nfs/dbraw/zinc/14/53/53/134145353.db2.gz	FKTITMZHLJLWST-SECBINFHSA-N	0	1	216.256	0.321	20	30		BCEDMN
C=C(C)CN1CCC[C@H](S(N)(=O)=O)C1	ZINC000336385557	134145796	/nfs/dbraw/zinc/14/57/96/134145796.db2.gz	FXSCCSUYUBSNMQ-VIFPVBQESA-N	0	1	218.322	0.315	20	30		BCEDMN
CO[C@H](C)CN(C)[C@H](C)C(=O)N(C)CCC#N	ZINC000353255860	134162656	/nfs/dbraw/zinc/16/26/56/134162656.db2.gz	PSRCOLKFJFVYAO-GHMZBOCLSA-N	0	1	241.335	0.714	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc2c(c1)oc(=O)n2C	ZINC000353577980	134164723	/nfs/dbraw/zinc/16/47/23/134164723.db2.gz	URBQUROWSSNWMQ-SNVBAGLBSA-N	0	1	248.282	0.768	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C	ZINC000355508278	134173621	/nfs/dbraw/zinc/17/36/21/134173621.db2.gz	KQKCZGRWCWTWID-WZRBSPASSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)[C@H](C)[C@@H]1C	ZINC000356976822	134181536	/nfs/dbraw/zinc/18/15/36/134181536.db2.gz	BUCDOPYHUVPVIO-MNOVXSKESA-N	0	1	225.336	0.313	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000357071232	134182063	/nfs/dbraw/zinc/18/20/63/134182063.db2.gz	KPBKCAPZVGVICB-SNVBAGLBSA-N	0	1	235.291	0.907	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N(C)[C@H](C)C1	ZINC000358718799	134192275	/nfs/dbraw/zinc/19/22/75/134192275.db2.gz	YOGSNRLBHXAFKW-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOCC(=O)N1C[C@H](C)N(C)[C@@H](C)C1	ZINC000358718804	134192557	/nfs/dbraw/zinc/19/25/57/134192557.db2.gz	YOGSNRLBHXAFKW-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
CC(C)(C#N)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000359640661	134196271	/nfs/dbraw/zinc/19/62/71/134196271.db2.gz	VTZJZSOZTLOZQK-UHFFFAOYSA-N	0	1	237.219	0.597	20	30		BCEDMN
CO[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000361362955	134204581	/nfs/dbraw/zinc/20/45/81/134204581.db2.gz	XAXUCUGXPSWEGA-MNOVXSKESA-N	0	1	239.319	0.468	20	30		BCEDMN
CC#CCCNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000361648141	134207067	/nfs/dbraw/zinc/20/70/67/134207067.db2.gz	ODLLWJCJXQKRMR-QMMMGPOBSA-N	0	1	221.264	0.578	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@](CO)(CCC)C1	ZINC000367983350	134216966	/nfs/dbraw/zinc/21/69/66/134216966.db2.gz	OTBZLSGMIOAWGS-CYBMUJFWSA-N	0	1	240.347	0.773	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@H]2CCOC(=O)[C@H]21	ZINC000368376490	134218423	/nfs/dbraw/zinc/21/84/23/134218423.db2.gz	FHGTVXLDWCJWLY-SRVKXCTJSA-N	0	1	239.315	0.951	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)CO	ZINC000118942119	134223565	/nfs/dbraw/zinc/22/35/65/134223565.db2.gz	YESCZQKARYYBHL-CMPLNLGQSA-N	0	1	241.335	0.353	20	30		BCEDMN
C=C(C)CN1CCN2C(=O)N(C)C[C@H]2C1	ZINC000373236404	134234129	/nfs/dbraw/zinc/23/41/29/134234129.db2.gz	IHFGPUINJIWMSF-JTQLQIEISA-N	0	1	209.293	0.614	20	30		BCEDMN
N#CC1(c2ccccn2)CCN(CCO)CC1	ZINC000376738083	134243074	/nfs/dbraw/zinc/24/30/74/134243074.db2.gz	RSCHTTNTEJPCJH-UHFFFAOYSA-N	0	1	231.299	0.931	20	30		BCEDMN
CO/N=C/C(=O)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000377717121	134244663	/nfs/dbraw/zinc/24/46/63/134244663.db2.gz	NEAHFKMPSXMVRK-XEPABTDDSA-N	0	1	237.263	0.143	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCOC(C)(C)C1	ZINC000377710593	134244868	/nfs/dbraw/zinc/24/48/68/134244868.db2.gz	WAGVJTPLZILZQF-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
CC#CCNC(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000378575662	134246254	/nfs/dbraw/zinc/24/62/54/134246254.db2.gz	YORQRIYAWVHXEQ-SFYZADRCSA-N	0	1	204.233	0.048	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000378487629	134246315	/nfs/dbraw/zinc/24/63/15/134246315.db2.gz	IQZNBEKQFVKKTQ-IUCAKERBSA-N	0	1	220.276	0.943	20	30		BCEDMN
C=CCNC(=O)CN1CCCO[C@H]2CCC[C@@H]21	ZINC000363412594	134398268	/nfs/dbraw/zinc/39/82/68/134398268.db2.gz	QXKIVACJRFBVPA-RYUDHWBXSA-N	0	1	238.331	0.932	20	30		BCEDMN
N#CCCCN1CCC[C@@H](N2CCNC2=O)C1	ZINC000363438322	134399333	/nfs/dbraw/zinc/39/93/33/134399333.db2.gz	JGAWJXOBPZAFQZ-LLVKDONJSA-N	0	1	236.319	0.780	20	30		BCEDMN
C=C(C)COCCNC(=O)c1ncn[nH]1	ZINC000158891718	134753118	/nfs/dbraw/zinc/75/31/18/134753118.db2.gz	JWGJDHZWAHSBFQ-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
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C=CCN1CC[C@H](N(C[C@H](C)O)C2CC2)C1=O	ZINC000653902529	411217487	/nfs/dbraw/zinc/21/74/87/411217487.db2.gz	VQLGKBVMJHZHMP-JQWIXIFHSA-N	0	1	238.331	0.619	20	30		BCEDMN
C=CCCOCC(=O)N1CCN[C@H](C)C1	ZINC000309841099	411276747	/nfs/dbraw/zinc/27/67/47/411276747.db2.gz	PDOGUFHVUWSXIG-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCn1cc([C@@H](N)[C@@H]2CCCO2)nn1	ZINC000656445847	411255422	/nfs/dbraw/zinc/25/54/22/411255422.db2.gz	WZSQRBPAKPQRDO-VHSXEESVSA-N	0	1	208.265	0.643	20	30		BCEDMN
C=C[C@H](CO)NCc1ccnc(OC)c1	ZINC000662168821	411372751	/nfs/dbraw/zinc/37/27/51/411372751.db2.gz	WMMJHWNYEOMXSA-SNVBAGLBSA-N	0	1	208.261	0.727	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC2CC1(C(=O)[O-])C2	ZINC000656759652	411355453	/nfs/dbraw/zinc/35/54/53/411355453.db2.gz	CLWGRHBDKLAIQA-YZRBJQDESA-N	0	1	225.288	0.863	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000654296565	411368496	/nfs/dbraw/zinc/36/84/96/411368496.db2.gz	WKCVCTXBWKZPCM-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCCCOCC	ZINC000662166170	411371026	/nfs/dbraw/zinc/37/10/26/411371026.db2.gz	UKKJPCZIOJKPDL-GHMZBOCLSA-N	0	1	244.335	0.054	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCN(C(C)(C)C)C1=O	ZINC000662168688	411371892	/nfs/dbraw/zinc/37/18/92/411371892.db2.gz	QSBGWBHGVQRHNF-NXEZZACHSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCn2nccc21	ZINC000658334606	411343847	/nfs/dbraw/zinc/34/38/47/411343847.db2.gz	OGBZQOGDDLPOAA-NXEZZACHSA-N	0	1	207.277	0.855	20	30		BCEDMN
C=CCCn1cc(CN2CCN(C)CC2)nn1	ZINC000653490059	411380040	/nfs/dbraw/zinc/38/00/40/411380040.db2.gz	SBCDBDJQOAGKTD-UHFFFAOYSA-N	0	1	235.335	0.602	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN[C@H](C(C)C)C1	ZINC000660188941	411552344	/nfs/dbraw/zinc/55/23/44/411552344.db2.gz	VLYGQFLBFBWRCP-NSHDSACASA-N	0	1	246.376	0.822	20	30		BCEDMN
CCOC(=O)c1cnn(Cc2cn[nH]n2)c1C#N	ZINC000287419091	170304732	/nfs/dbraw/zinc/30/47/32/170304732.db2.gz	CVYRIXDTYVTPJT-UHFFFAOYSA-N	0	1	246.230	0.098	20	30		BCEDMN
C=C[C@H](CO)NCc1c(C)nnn1CC	ZINC000657791354	411597198	/nfs/dbraw/zinc/59/71/98/411597198.db2.gz	RNNRLGVLBVUEJG-SECBINFHSA-N	0	1	210.281	0.243	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000660846533	411657325	/nfs/dbraw/zinc/65/73/25/411657325.db2.gz	KTFBQWHKTLQKMJ-MRVPVSSYSA-N	0	1	227.264	0.534	20	30		BCEDMN
C=CCOCCNC(=O)N(C)CC1CN(C)C1	ZINC000661008129	411690178	/nfs/dbraw/zinc/69/01/78/411690178.db2.gz	UPEWURUNWZSQHK-UHFFFAOYSA-N	0	1	241.335	0.392	20	30		BCEDMN
C=CC[N@H+](Cc1n[nH]c(=O)[n-]1)[C@@H](C)COC	ZINC000661240078	411741261	/nfs/dbraw/zinc/74/12/61/411741261.db2.gz	LETWTSLTXWHBQZ-QMMMGPOBSA-N	0	1	226.280	0.533	20	30		BCEDMN
C=CC[N@@H+](Cc1n[nH]c(=O)[n-]1)[C@@H](C)COC	ZINC000661240078	411741264	/nfs/dbraw/zinc/74/12/64/411741264.db2.gz	LETWTSLTXWHBQZ-QMMMGPOBSA-N	0	1	226.280	0.533	20	30		BCEDMN
C=C(Cl)CN1CCc2nnc(N)cc2C1	ZINC000375819653	411848612	/nfs/dbraw/zinc/84/86/12/411848612.db2.gz	ZIEDGNNLWPCHLS-UHFFFAOYSA-N	0	1	224.695	1.169	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000662013728	411940687	/nfs/dbraw/zinc/94/06/87/411940687.db2.gz	LBVXMEZXECQUOG-JTQLQIEISA-N	0	1	211.309	0.860	20	30		BCEDMN
N#CC1(CSc2nc(N)cc(N)n2)CC1	ZINC000331985867	411964418	/nfs/dbraw/zinc/96/44/18/411964418.db2.gz	PIHPQDSBKJGTRX-UHFFFAOYSA-N	0	1	221.289	1.037	20	30		BCEDMN
C=CCNC(=O)CN1CCC2(COC2)C1	ZINC000662076867	411978974	/nfs/dbraw/zinc/97/89/74/411978974.db2.gz	XBXOWPPTEOITEE-UHFFFAOYSA-N	0	1	210.277	0.011	20	30		BCEDMN
CC#CCCNC(=O)N(C)CC1CN(C)C1	ZINC000664703235	412012855	/nfs/dbraw/zinc/01/28/55/412012855.db2.gz	CDVAUOZXXCLNAG-UHFFFAOYSA-N	0	1	223.320	0.603	20	30		BCEDMN
CC#CCCNC(=O)NCCCc1nc[nH]n1	ZINC000664703060	412013054	/nfs/dbraw/zinc/01/30/54/412013054.db2.gz	IJIJLVYRGDLVRY-UHFFFAOYSA-N	0	1	235.291	0.450	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC1CCCC1	ZINC000662165787	412014360	/nfs/dbraw/zinc/01/43/60/412014360.db2.gz	OPHMZYDNKCIVTJ-NXEZZACHSA-N	0	1	226.320	0.570	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N1CCCCCC1	ZINC000662165983	412014568	/nfs/dbraw/zinc/01/45/68/412014568.db2.gz	RBNYTAUFVMKDPZ-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC1CCCCC1	ZINC000662165977	412014858	/nfs/dbraw/zinc/01/48/58/412014858.db2.gz	RBMWHGXIBVZJHE-GHMZBOCLSA-N	0	1	240.347	0.960	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC1CCCCC1	ZINC000662165979	412015129	/nfs/dbraw/zinc/01/51/29/412015129.db2.gz	RBMWHGXIBVZJHE-WDEREUQCSA-N	0	1	240.347	0.960	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC1CCCC1	ZINC000662165788	412015236	/nfs/dbraw/zinc/01/52/36/412015236.db2.gz	OPHMZYDNKCIVTJ-VHSXEESVSA-N	0	1	226.320	0.570	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCCC(C)(C)C	ZINC000662167016	412015777	/nfs/dbraw/zinc/01/57/77/412015777.db2.gz	NVUXBHWQSHXDJC-SNVBAGLBSA-N	0	1	228.336	0.675	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCC[C@@H](C)C1	ZINC000662167419	412016619	/nfs/dbraw/zinc/01/66/19/412016619.db2.gz	DLLHTJZSQDZBJC-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
CN(C)c1nc(NCc2cc(C#N)cs2)n[nH]1	ZINC000362354277	412196542	/nfs/dbraw/zinc/19/65/42/412196542.db2.gz	GDKXACGAEPHRQZ-UHFFFAOYSA-N	0	1	248.315	1.416	20	30		BCEDMN
Cc1cc(CNc2nc(C)cc(C#N)n2)n[nH]1	ZINC000587978248	412320271	/nfs/dbraw/zinc/32/02/71/412320271.db2.gz	BRLRILHASNNIRG-UHFFFAOYSA-N	0	1	228.259	1.300	20	30		BCEDMN
Cc1cc(NC(=O)CCNCC2(C#N)CC2)no1	ZINC000566124565	412341096	/nfs/dbraw/zinc/34/10/96/412341096.db2.gz	KBUDWIICKHPCLD-UHFFFAOYSA-N	0	1	248.286	1.205	20	30		BCEDMN
CCCN(C)CC(=O)Nc1ccn(CCC#N)n1	ZINC000344681523	412352978	/nfs/dbraw/zinc/35/29/78/412352978.db2.gz	LRGCZBQHFDTGBD-UHFFFAOYSA-N	0	1	249.318	1.077	20	30		BCEDMN
CN1CCCN(C(=O)c2cc(C#N)ccn2)CC1	ZINC000282926072	173013342	/nfs/dbraw/zinc/01/33/42/173013342.db2.gz	JCBNXFFFLMXXPU-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2cccc(C#N)n2)C1	ZINC000226963332	173077357	/nfs/dbraw/zinc/07/73/57/173077357.db2.gz	DSPNSILOUOTMFF-LBPRGKRZSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(CCNc2ccc(C#N)cn2)CC1	ZINC000037497232	173082567	/nfs/dbraw/zinc/08/25/67/173082567.db2.gz	WMOMCQOAIGCMIN-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CN1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000034673883	173086039	/nfs/dbraw/zinc/08/60/39/173086039.db2.gz	QWZRGIGWGQQYQL-CQSZACIVSA-N	0	1	245.326	0.839	20	30		BCEDMN
CN1C[C@@H](NCc2ccc(C#N)s2)CC1=O	ZINC000267170262	173187352	/nfs/dbraw/zinc/18/73/52/173187352.db2.gz	HVCBYIORIFXGOF-QMMMGPOBSA-N	0	1	235.312	0.940	20	30		BCEDMN
CN1C[C@H](NCc2ccc(C#N)s2)CC1=O	ZINC000267170258	173195138	/nfs/dbraw/zinc/19/51/38/173195138.db2.gz	HVCBYIORIFXGOF-MRVPVSSYSA-N	0	1	235.312	0.940	20	30		BCEDMN
CNC(=O)[C@@H]1CCCCN1CCCC#N	ZINC000042422114	173297526	/nfs/dbraw/zinc/29/75/26/173297526.db2.gz	RWYMIZMQQGVJCG-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
CNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000123955433	173408300	/nfs/dbraw/zinc/40/83/00/173408300.db2.gz	AJYNLDZFYHCOBT-UHFFFAOYSA-N	0	1	232.211	0.745	20	30		BCEDMN
C[C@H](c1ccc(C#N)cc1)N1C[C@H](O)[C@@H](O)C1	ZINC000278620650	177033577	/nfs/dbraw/zinc/03/35/77/177033577.db2.gz	FYBOAZPWIFETFK-ICCXJUOJSA-N	0	1	232.283	0.657	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@]2(CCCOC2)C1	ZINC000671696556	487695315	/nfs/dbraw/zinc/69/53/15/487695315.db2.gz	FYWBMOGSXGJZNG-QWHCGFSZSA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCOCCNC(=O)NCc1cn[nH]c1C	ZINC000681055013	487707948	/nfs/dbraw/zinc/70/79/48/487707948.db2.gz	NSAOYRVPGVLGBR-UHFFFAOYSA-N	0	1	238.291	0.720	20	30		BCEDMN
C#CCN(CCN1CCOC1=O)C1CC1	ZINC000763949521	585457656	/nfs/dbraw/zinc/45/76/56/585457656.db2.gz	MUFUEBXPCRKUAC-UHFFFAOYSA-N	0	1	208.261	0.536	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCc2n[nH]c(=O)cc2C1	ZINC000681470261	487799878	/nfs/dbraw/zinc/79/98/78/487799878.db2.gz	SYXSRGBOVMDMEF-NSHDSACASA-N	0	1	235.287	0.477	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCCN(CC)CC1	ZINC000668476063	487802087	/nfs/dbraw/zinc/80/20/87/487802087.db2.gz	WOCAXPNAMTYZOG-GFCCVEGCSA-N	0	1	226.320	0.478	20	30		BCEDMN
CON=CC(=O)N1CCN(C)C(C)(C)C1	ZINC000816504936	586737539	/nfs/dbraw/zinc/73/75/39/586737539.db2.gz	IBEBUFJUKBNWRB-UHFFFAOYSA-N	0	1	213.281	0.171	20	30		BCEDMN
CS[C@H](C)CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000844194806	588172601	/nfs/dbraw/zinc/17/26/01/588172601.db2.gz	MHKOYDIUSLWYJO-HRDYMLBCSA-N	0	1	227.333	0.356	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@@](C)(O)C1	ZINC000878165723	590512714	/nfs/dbraw/zinc/51/27/14/590512714.db2.gz	CVFDVQULDZCARV-GXSJLCMTSA-N	0	1	213.277	0.561	20	30		BCEDMN
C#CCNCC(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000088362457	644517113	/nfs/dbraw/zinc/51/71/13/644517113.db2.gz	ADONCLVDTRDRPC-WDEREUQCSA-N	0	1	208.305	0.904	20	30		BCEDMN
COCC#CCN1CC[C@@H](OCCOC)C1	ZINC000682039533	487888132	/nfs/dbraw/zinc/88/81/32/487888132.db2.gz	WZRDUMWDQFERQN-GFCCVEGCSA-N	0	1	227.304	0.374	20	30		BCEDMN
C=C[C@H](C)NC(=O)c1ccnc(CN)c1	ZINC000165220052	487936306	/nfs/dbraw/zinc/93/63/06/487936306.db2.gz	NVRHQPIKNCYSER-QMMMGPOBSA-N	0	1	205.261	0.845	20	30		BCEDMN
CC(C)C(=O)NCCNC[C@@H](C#N)CCC#N	ZINC000558482879	322950880	/nfs/dbraw/zinc/95/08/80/322950880.db2.gz	ARCSDQGDDZHFAS-LLVKDONJSA-N	0	1	236.319	0.792	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccncc1	ZINC000569436802	322966045	/nfs/dbraw/zinc/96/60/45/322966045.db2.gz	BTXVNANQQBJIKQ-NEPJUHHUSA-N	0	1	247.298	0.375	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccccn1	ZINC000064615474	323035766	/nfs/dbraw/zinc/03/57/66/323035766.db2.gz	ZTOSZKNKLIHFCD-UHFFFAOYSA-N	0	1	217.272	0.311	20	30		BCEDMN
CC1CC(C#N)(C(=O)NC2(c3nn[nH]n3)CC2)C1	ZINC000570617616	323064594	/nfs/dbraw/zinc/06/45/94/323064594.db2.gz	XUJLOMYOINFSRM-UHFFFAOYSA-N	0	1	246.274	0.245	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN(C)[C@H]1CCSC1	ZINC000535323191	323170758	/nfs/dbraw/zinc/17/07/58/323170758.db2.gz	YUXDOOCFNAQQOH-ZJUUUORDSA-N	0	1	241.360	0.700	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000070618153	323204929	/nfs/dbraw/zinc/20/49/29/323204929.db2.gz	ZZBJRDKYTAAXIM-NSHDSACASA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000070618153	323204930	/nfs/dbraw/zinc/20/49/30/323204930.db2.gz	ZZBJRDKYTAAXIM-NSHDSACASA-N	0	1	226.276	0.228	20	30		BCEDMN
CC(C)n1cc([C@@H](C)NCC(=O)NCC#N)cn1	ZINC000542573351	325035518	/nfs/dbraw/zinc/03/55/18/325035518.db2.gz	OQNCRHQJOSGUQO-SNVBAGLBSA-N	0	1	249.318	0.754	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)NC[C@@H](C)C#N	ZINC000545237203	325198872	/nfs/dbraw/zinc/19/88/72/325198872.db2.gz	PKQAFLWXYHFBKD-ZETCQYMHSA-N	0	1	221.264	0.677	20	30		BCEDMN
CN(CCC#N)C[C@@H](O)CNCc1ccco1	ZINC000566108645	325996214	/nfs/dbraw/zinc/99/62/14/325996214.db2.gz	XBICCLZKKHMFRC-NSHDSACASA-N	0	1	237.303	0.576	20	30		BCEDMN
C=CCOCCC[N@H+]1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000566361216	326035423	/nfs/dbraw/zinc/03/54/23/326035423.db2.gz	FCSLBAAVJCDWQE-MNOVXSKESA-N	0	1	243.303	0.753	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCCc1nc[nH]n1	ZINC000566457800	326050675	/nfs/dbraw/zinc/05/06/75/326050675.db2.gz	UTPACOZBZWBTLE-BDAKNGLRSA-N	0	1	236.275	0.055	20	30		BCEDMN
C#CCN(CC(=O)NC(N)=O)C1CCCC1	ZINC000155909626	326214279	/nfs/dbraw/zinc/21/42/79/326214279.db2.gz	JSASLKZVZJWCNI-UHFFFAOYSA-N	0	1	223.276	0.059	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@H](C)N1CC(C)C1	ZINC000568206006	326326083	/nfs/dbraw/zinc/32/60/83/326326083.db2.gz	ZWIFQHJWKOXRCV-LBPRGKRZSA-N	0	1	240.347	0.988	20	30		BCEDMN
CC[C@@H]1CN(C)CC[N@@H+]1CCOCCC#N	ZINC000568503779	326360436	/nfs/dbraw/zinc/36/04/36/326360436.db2.gz	SUGKDIMZYLYQAD-GFCCVEGCSA-N	0	1	225.336	0.943	20	30		BCEDMN
Cc1ccc(OC[C@H](O)CNCC#CCO)cc1	ZINC000569243284	326397657	/nfs/dbraw/zinc/39/76/57/326397657.db2.gz	GWXYMZLNWNNZAM-CYBMUJFWSA-N	0	1	249.310	0.320	20	30		BCEDMN
COCC#CCN(C)CCN1CCCC1=O	ZINC000677133487	487980389	/nfs/dbraw/zinc/98/03/89/487980389.db2.gz	YQRPNURIQCRWQD-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
CNC(=O)C1CCN(CC#CCOC)CC1	ZINC000677816875	488130017	/nfs/dbraw/zinc/13/00/17/488130017.db2.gz	FQCFNAABOWIDJV-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
COCC#CCN1CCS[C@H]2COCC[C@@H]21	ZINC000677820610	488136728	/nfs/dbraw/zinc/13/67/28/488136728.db2.gz	QXPAYXIIYLFPEP-RYUDHWBXSA-N	0	1	241.356	0.843	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCCOC[C@H]2C)C1=O	ZINC000685003686	487490513	/nfs/dbraw/zinc/49/05/13/487490513.db2.gz	KPYQVCQMPAYYAA-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCCOC[C@@H]2C)C1=O	ZINC000685003684	487490678	/nfs/dbraw/zinc/49/06/78/487490678.db2.gz	KPYQVCQMPAYYAA-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@H](CO)C(=C)C)C1=O	ZINC000685004385	487490992	/nfs/dbraw/zinc/49/09/92/487490992.db2.gz	XOZFDNSIVDGDJG-VXGBXAGGSA-N	0	1	238.331	0.642	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@@H](O)C1CC1	ZINC000677893151	488150805	/nfs/dbraw/zinc/15/08/05/488150805.db2.gz	UTIHAJVXEQEOQV-MWLCHTKSSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCNC(=O)CN1CCC12CCOCC2	ZINC000683525905	488187118	/nfs/dbraw/zinc/18/71/18/488187118.db2.gz	LGFNOMRITVUSNC-UHFFFAOYSA-N	0	1	224.304	0.544	20	30		BCEDMN
N#CC[C@@]1(O)CCN(Cc2ccnc(N)c2)C1	ZINC000592151544	490103974	/nfs/dbraw/zinc/10/39/74/490103974.db2.gz	NGAHIPAROQAKPO-GFCCVEGCSA-N	0	1	232.287	0.514	20	30		BCEDMN
C#CCN(C)C[C@@H](O)CNC(=O)OC(C)(C)C	ZINC000296619796	490378961	/nfs/dbraw/zinc/37/89/61/490378961.db2.gz	HBYHTOHJLQYXSK-JTQLQIEISA-N	0	1	242.319	0.437	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000655159872	491098484	/nfs/dbraw/zinc/09/84/84/491098484.db2.gz	DWJSTWLGUCGIDL-MNOVXSKESA-N	0	1	249.314	0.479	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000655159876	491098521	/nfs/dbraw/zinc/09/85/21/491098521.db2.gz	DWJSTWLGUCGIDL-WDEREUQCSA-N	0	1	249.314	0.479	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)CCCc1nn[nH]n1	ZINC000890549389	582471832	/nfs/dbraw/zinc/47/18/32/582471832.db2.gz	LXVVDYQQPSAHOK-SECBINFHSA-N	0	1	235.291	0.699	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)CCc1c[nH]nn1	ZINC000890554969	582476849	/nfs/dbraw/zinc/47/68/49/582476849.db2.gz	ZWYZRTGKQUVLLU-SNVBAGLBSA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)CCc1cnn[nH]1	ZINC000890554969	582476850	/nfs/dbraw/zinc/47/68/50/582476850.db2.gz	ZWYZRTGKQUVLLU-SNVBAGLBSA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cn(C(C)C)nn1	ZINC000290063896	534317427	/nfs/dbraw/zinc/31/74/27/534317427.db2.gz	HMSPEETUIAMQNK-JTQLQIEISA-N	0	1	224.308	0.886	20	30		BCEDMN
C=C(CC)CN(CCNS(C)(=O)=O)C1CC1	ZINC000361391614	534377690	/nfs/dbraw/zinc/37/76/90/534377690.db2.gz	PUABFKZWWSYIOA-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
C=C(CC)CN1CC[C@@H](NS(C)(=O)=O)C1	ZINC000358494883	534395151	/nfs/dbraw/zinc/39/51/51/534395151.db2.gz	GJSFFPFZACMAEL-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=C(Cl)CN1CCN2CCOC[C@H]2C1	ZINC000371823422	534437024	/nfs/dbraw/zinc/43/70/24/534437024.db2.gz	QTYXGVMIAPSVAA-SNVBAGLBSA-N	0	1	216.712	0.755	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000362380325	534486668	/nfs/dbraw/zinc/48/66/68/534486668.db2.gz	PONMOHIQZQRZOZ-GHMZBOCLSA-N	0	1	240.351	0.106	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCNC[C@H]1C	ZINC000333786344	534601192	/nfs/dbraw/zinc/60/11/92/534601192.db2.gz	LSEHJFJNKRBAEK-MXWKQRLJSA-N	0	1	239.319	0.333	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)c1[nH]nc2c1CCC2	ZINC000333792309	534607483	/nfs/dbraw/zinc/60/74/83/534607483.db2.gz	DNZQIYQKDNGNSP-MNOVXSKESA-N	0	1	247.298	0.972	20	30		BCEDMN
C=C[C@H]1CCCCN1CCS(=O)(=O)N(C)C	ZINC000352421634	534694350	/nfs/dbraw/zinc/69/43/50/534694350.db2.gz	MTJQQTILCAOTTA-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)NC(=O)NC(C)C	ZINC000121501114	534816975	/nfs/dbraw/zinc/81/69/75/534816975.db2.gz	VZQKGHTVELPUCE-SECBINFHSA-N	0	1	227.308	0.727	20	30		BCEDMN
C=CCOCC(=O)N1CCN(CC2CC2)CC1	ZINC000354571807	534868260	/nfs/dbraw/zinc/86/82/60/534868260.db2.gz	GEIUFZNYSVGBAP-UHFFFAOYSA-N	0	1	238.331	0.743	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C2CCC2)CC1	ZINC000354357127	534868508	/nfs/dbraw/zinc/86/85/08/534868508.db2.gz	ISNSEDLMZMFZQJ-UHFFFAOYSA-N	0	1	238.331	0.886	20	30		BCEDMN
COC(=O)[C@@H]1CCCN1C(=O)C(C)C#N	ZINC000044822753	536467492	/nfs/dbraw/zinc/46/74/92/536467492.db2.gz	UQDMEVQSJLOPAF-SFYZADRCSA-N	0	1	210.233	0.310	20	30		BCEDMN
C#CCN(C)C(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000491665960	526798514	/nfs/dbraw/zinc/79/85/14/526798514.db2.gz	PVONHCXWIBAKNZ-UHFFFAOYSA-N	0	1	243.270	0.515	20	30		BCEDMN
CCN(CC#N)C(=O)[C@H]1CCCN1C1CC1	ZINC000495102495	527884012	/nfs/dbraw/zinc/88/40/12/527884012.db2.gz	RLBCTZVVYZWTKH-LLVKDONJSA-N	0	1	221.304	0.985	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN1C	ZINC000260082451	535127305	/nfs/dbraw/zinc/12/73/05/535127305.db2.gz	QGILLAHVDYYPRE-ZJUUUORDSA-N	0	1	209.293	0.745	20	30		BCEDMN
CCOC(=O)[C@H](C)N(C)C(=O)C(C)C#N	ZINC000354367408	535616851	/nfs/dbraw/zinc/61/68/51/535616851.db2.gz	QKVOIBNTEREGPQ-YUMQZZPRSA-N	0	1	212.249	0.556	20	30		BCEDMN
CCc1nnc(NC(=O)CCCC#N)[nH]1	ZINC000360383503	536146222	/nfs/dbraw/zinc/14/62/22/536146222.db2.gz	XFZORMRDXVLMGR-UHFFFAOYSA-N	0	1	207.237	0.999	20	30		BCEDMN
CCc1n[nH]c(NC(=O)CCCC#N)n1	ZINC000360383503	536146225	/nfs/dbraw/zinc/14/62/25/536146225.db2.gz	XFZORMRDXVLMGR-UHFFFAOYSA-N	0	1	207.237	0.999	20	30		BCEDMN
CC#CCCN1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000155356800	566314876	/nfs/dbraw/zinc/31/48/76/566314876.db2.gz	LDDGVWWXEOQOFQ-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C[C@H](CO)NN=Cc1ccnn1-c1ccncc1	ZINC000853313168	588732086	/nfs/dbraw/zinc/73/20/86/588732086.db2.gz	AJBRJJHEGVGAIJ-SNVBAGLBSA-N	0	1	245.286	0.572	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn(C3CCC3)nn2)N1	ZINC000853330391	588733641	/nfs/dbraw/zinc/73/36/41/588733641.db2.gz	MRTQXDOXCOGWGX-MRVPVSSYSA-N	0	1	247.306	0.274	20	30		BCEDMN
CC(C)n1ccnc1C=NNC1=NC[C@H](C)N1	ZINC000853330717	588733823	/nfs/dbraw/zinc/73/38/23/588733823.db2.gz	UDOXLGUIXJRWCY-VIFPVBQESA-N	0	1	234.307	0.735	20	30		BCEDMN
COc1cncc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000853330940	588733927	/nfs/dbraw/zinc/73/39/27/588733927.db2.gz	ZQHQTDACRNDELH-MRVPVSSYSA-N	0	1	233.275	0.361	20	30		BCEDMN
Cn1ncc(C2CC2)c1C=NNC1=NCCN1	ZINC000853357149	588737617	/nfs/dbraw/zinc/73/76/17/588737617.db2.gz	BWGGHJXPLSSCOP-UHFFFAOYSA-N	0	1	232.291	0.180	20	30		BCEDMN
Cc1nnc(NN=Cc2ccc(C)nn2)n1C	ZINC000853431301	588741723	/nfs/dbraw/zinc/74/17/23/588741723.db2.gz	VMVACMJYWGYXRI-UHFFFAOYSA-N	0	1	231.263	0.668	20	30		BCEDMN
CC(=NNc1nnc(C)n1C)c1cnn(C)n1	ZINC000853430806	588741826	/nfs/dbraw/zinc/74/18/26/588741826.db2.gz	JKHRUDQGJBBHKT-UHFFFAOYSA-N	0	1	234.267	0.088	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCCN1CC=CCC1	ZINC000854076510	588773613	/nfs/dbraw/zinc/77/36/13/588773613.db2.gz	UTHCBUYMRUSNFN-LBPRGKRZSA-N	0	1	235.331	0.959	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NCCCc1nc[nH]n1	ZINC000854219521	588779923	/nfs/dbraw/zinc/77/99/23/588779923.db2.gz	HVBUKJLXJTZUKF-QMMMGPOBSA-N	0	1	239.279	0.543	20	30		BCEDMN
C#CC(=O)N1CCC[C@H](N2CCOCC2)CC1	ZINC000854332647	588784378	/nfs/dbraw/zinc/78/43/78/588784378.db2.gz	IHCPLZMWIWACKB-LBPRGKRZSA-N	0	1	236.315	0.333	20	30		BCEDMN
C#C[C@H](CO)NC(=O)c1[nH]nc2c1CCCCC2	ZINC000854775728	588808011	/nfs/dbraw/zinc/80/80/11/588808011.db2.gz	ROKPODHCBPQRCC-SECBINFHSA-N	0	1	247.298	0.403	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1	ZINC000890656381	582495004	/nfs/dbraw/zinc/49/50/04/582495004.db2.gz	WMFXJKWLUZHDJP-SECBINFHSA-N	0	1	233.271	0.754	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1	ZINC000890657524	582495556	/nfs/dbraw/zinc/49/55/56/582495556.db2.gz	SJDTVWQLHWDOSF-LLVKDONJSA-N	0	1	217.272	0.967	20	30		BCEDMN
O=C(NCC#C[C@H]1CCCCO1)c1cnn[nH]1	ZINC000891128190	582613575	/nfs/dbraw/zinc/61/35/75/582613575.db2.gz	KSFLEFNXVXSBBA-SECBINFHSA-N	0	1	234.259	0.107	20	30		BCEDMN
C#CCONC(=O)[C@@](C)(C=C)CCOC	ZINC000855607080	588841660	/nfs/dbraw/zinc/84/16/60/588841660.db2.gz	WHHDCDJLHAWNBR-NSHDSACASA-N	0	1	211.261	0.896	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cnc(C)nc1C	ZINC000779795278	582733262	/nfs/dbraw/zinc/73/32/62/582733262.db2.gz	RJULAZITZHVPNB-SSDOTTSWSA-N	0	1	246.318	0.755	20	30		BCEDMN
COCc1ccc(C=NNC2=NC[C@@H](C)N2)o1	ZINC000779801820	582735081	/nfs/dbraw/zinc/73/50/81/582735081.db2.gz	YIOCRIMHMCWJLG-MRVPVSSYSA-N	0	1	236.275	0.697	20	30		BCEDMN
CCn1ncc(C=NNc2ccc(C)nn2)n1	ZINC000841623154	582813360	/nfs/dbraw/zinc/81/33/60/582813360.db2.gz	FQWSORMAKXGBOB-UHFFFAOYSA-N	0	1	231.263	0.842	20	30		BCEDMN
O=S(=O)(OCC(F)(F)F)c1c[nH]cn1	ZINC000121504223	582840871	/nfs/dbraw/zinc/84/08/71/582840871.db2.gz	AFDMICMYPIWJFO-UHFFFAOYSA-N	0	1	230.167	0.677	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCCC=C)CC1	ZINC000856030326	588856308	/nfs/dbraw/zinc/85/63/08/588856308.db2.gz	CSFWMAYKBPOLSD-UHFFFAOYSA-N	0	1	236.315	0.956	20	30		BCEDMN
N#CC1CCN(CCc2cn[nH]n2)CC1	ZINC000851740217	582964965	/nfs/dbraw/zinc/96/49/65/582964965.db2.gz	OCTNONIWMOTCRS-UHFFFAOYSA-N	0	1	205.265	0.583	20	30		BCEDMN
C#CCOCCN(CC)Cc1cnn(C)c1	ZINC000851745201	582965816	/nfs/dbraw/zinc/96/58/16/582965816.db2.gz	WZTWKMWBWYZHNO-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
CC#CCCCC(=O)N(C)c1nn[nH]n1	ZINC000892954544	583019164	/nfs/dbraw/zinc/01/91/64/583019164.db2.gz	LFTXYSHTCLFVAP-UHFFFAOYSA-N	0	1	207.237	0.356	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000854077457	583071725	/nfs/dbraw/zinc/07/17/25/583071725.db2.gz	SEGPIIKYRPJHEN-VXNVDRBHSA-N	0	1	235.291	0.885	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1c[nH]nn1)[C@@H]1CCCO1	ZINC000867500516	583117585	/nfs/dbraw/zinc/11/75/85/583117585.db2.gz	ZJWPCDYKCKOAQE-QWRGUYRKSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnn[nH]1)[C@@H]1CCCO1	ZINC000867500516	583117588	/nfs/dbraw/zinc/11/75/88/583117588.db2.gz	ZJWPCDYKCKOAQE-QWRGUYRKSA-N	0	1	248.286	0.034	20	30		BCEDMN
CC(=O)OC[C@H](C)NCc1ccc(C#N)cn1	ZINC000893869319	583241559	/nfs/dbraw/zinc/24/15/59/583241559.db2.gz	WWZDRJVLXKCJQA-VIFPVBQESA-N	0	1	233.271	0.994	20	30		BCEDMN
C#CCCNC(=O)C(C)(C)c1cnc[nH]1	ZINC000857124556	588889987	/nfs/dbraw/zinc/88/99/87/588889987.db2.gz	CDZRQEOSEDHVKJ-UHFFFAOYSA-N	0	1	205.261	0.827	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn(C)nc2Cl)N1	ZINC000857211373	588893779	/nfs/dbraw/zinc/89/37/79/588893779.db2.gz	HMQRXYJQNXWWTC-ZCFIWIBFSA-N	0	1	240.698	0.345	20	30		BCEDMN
C#CC[C@H]1NC(=O)N(C[C@H]2CCN2CC)C1=O	ZINC000877880759	583352611	/nfs/dbraw/zinc/35/26/11/583352611.db2.gz	IPNCMTUYQWQNHL-NXEZZACHSA-N	0	1	235.287	0.024	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOC(C)(C)CO	ZINC000857283999	588903056	/nfs/dbraw/zinc/90/30/56/588903056.db2.gz	RZMLXIGNVCPSNO-BDAKNGLRSA-N	0	1	229.276	0.396	20	30		BCEDMN
N#CCSCCCOC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840672611	583417549	/nfs/dbraw/zinc/41/75/49/583417549.db2.gz	DFBPFNQQXHVDHV-HTQZYQBOSA-N	0	1	244.272	0.842	20	30		BCEDMN
C#C[C@@H](C)NCc1c2c(nn1C)CCOC2	ZINC000894384844	583443473	/nfs/dbraw/zinc/44/34/73/583443473.db2.gz	XFKJEWUUJYXHBG-SECBINFHSA-N	0	1	219.288	0.604	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCN(C(=O)CC#N)CC1	ZINC000895065968	583577850	/nfs/dbraw/zinc/57/78/50/583577850.db2.gz	LIAPVLJNJRNRFC-LBPRGKRZSA-N	0	1	248.330	0.984	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCCc2c[nH]nc21	ZINC000857872935	588918168	/nfs/dbraw/zinc/91/81/68/588918168.db2.gz	RUGSRIZVWHQZHD-ZJUUUORDSA-N	0	1	207.277	0.924	20	30		BCEDMN
C#CC1(O)CCN(Cc2ccc(CO)o2)CC1	ZINC000895383665	583663140	/nfs/dbraw/zinc/66/31/40/583663140.db2.gz	ZHQYSXJANNVIQQ-UHFFFAOYSA-N	0	1	235.283	0.732	20	30		BCEDMN
C#CCSCC(=O)NCCN1CCCCC1	ZINC000895732914	583712481	/nfs/dbraw/zinc/71/24/81/583712481.db2.gz	RJXZRMNDQNTFCZ-UHFFFAOYSA-N	0	1	240.372	0.955	20	30		BCEDMN
CC[C@H]1CCC[N@H+]1CC(=O)NCCC#N	ZINC000727833193	583782226	/nfs/dbraw/zinc/78/22/26/583782226.db2.gz	PDIAYACWJYSSRP-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C#CCSCC(=O)N1CCc2[nH]nnc2C1	ZINC000896696939	583825289	/nfs/dbraw/zinc/82/52/89/583825289.db2.gz	DFGQQMYNLPLQMA-UHFFFAOYSA-N	0	1	236.300	0.056	20	30		BCEDMN
C#Cc1ccc(C(=O)Nc2nnc(C)[nH]2)cn1	ZINC000728866421	583932150	/nfs/dbraw/zinc/93/21/50/583932150.db2.gz	PXYDMANYRLSBNZ-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
C#Cc1ccc(C(=O)Nc2nc(C)n[nH]2)cn1	ZINC000728866421	583932151	/nfs/dbraw/zinc/93/21/51/583932151.db2.gz	PXYDMANYRLSBNZ-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
Cc1nc[nH]c1C=NNCC(C)(C)CO	ZINC000799115327	583955957	/nfs/dbraw/zinc/95/59/57/583955957.db2.gz	WNNDBTSIQAXISU-UHFFFAOYSA-N	0	1	210.281	0.660	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000866947738	583965931	/nfs/dbraw/zinc/96/59/31/583965931.db2.gz	SIPDMZUFXUQKMU-GZMMTYOYSA-N	0	1	248.286	0.594	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000897433884	583973754	/nfs/dbraw/zinc/97/37/54/583973754.db2.gz	GJLNKTHUJIHWJY-VHSXEESVSA-N	0	1	208.305	0.997	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1nccn1C	ZINC000858334384	588946751	/nfs/dbraw/zinc/94/67/51/588946751.db2.gz	VRWNNPHNJLBHQV-LLVKDONJSA-N	0	1	221.304	0.938	20	30		BCEDMN
C#CC[C@H](COC)NCc1cnc(C)nc1	ZINC000858335834	588946953	/nfs/dbraw/zinc/94/69/53/588946953.db2.gz	JOBUBMSHMXZVFD-GFCCVEGCSA-N	0	1	219.288	0.913	20	30		BCEDMN
C#C[C@H](CC)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897555684	584018143	/nfs/dbraw/zinc/01/81/43/584018143.db2.gz	VWQDNNHCDPFHIX-VXGBXAGGSA-N	0	1	236.315	0.235	20	30		BCEDMN
C[C@@]1(NCc2cc(C#N)cs2)CCNC1=O	ZINC000897870885	584055862	/nfs/dbraw/zinc/05/58/62/584055862.db2.gz	BKMWAEFKCBLOTI-LLVKDONJSA-N	0	1	235.312	0.988	20	30		BCEDMN
C#CC1(O)CN(Cc2[nH]nc3ccccc32)C1	ZINC000898144280	584086201	/nfs/dbraw/zinc/08/62/01/584086201.db2.gz	POQNICSWNPYMLY-UHFFFAOYSA-N	0	1	227.267	0.743	20	30		BCEDMN
C=CC(C)(C)NC(=O)NCc1n[nH]c(C)n1	ZINC000898343959	584111728	/nfs/dbraw/zinc/11/17/28/584111728.db2.gz	ABFDQSKBFVRBMB-UHFFFAOYSA-N	0	1	223.280	0.877	20	30		BCEDMN
N#CCCCC(=O)N1CC(N2CCCC2)C1	ZINC000898605217	584144536	/nfs/dbraw/zinc/14/45/36/584144536.db2.gz	PZXLEESZDBPISQ-UHFFFAOYSA-N	0	1	221.304	0.987	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CC(N2CCCC2)C1	ZINC000898604944	584144771	/nfs/dbraw/zinc/14/47/71/584144771.db2.gz	PTMRXCSAUVKEFT-ZDUSSCGKSA-N	0	1	238.331	0.620	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CC(N2CCCC2)C1	ZINC000898601616	584145089	/nfs/dbraw/zinc/14/50/89/584145089.db2.gz	QDARPQAYPJYUQX-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
C=C1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C1	ZINC000898703793	584152313	/nfs/dbraw/zinc/15/23/13/584152313.db2.gz	YBCQZDZWNMFYSE-VIFPVBQESA-N	0	1	217.272	0.913	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000899107959	584175256	/nfs/dbraw/zinc/17/52/56/584175256.db2.gz	WGUKPZFPWTYEAX-ZJUUUORDSA-N	0	1	248.286	0.507	20	30		BCEDMN
C#CCOCCC(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000899105948	584175317	/nfs/dbraw/zinc/17/53/17/584175317.db2.gz	NGFKMUQVXIQMIT-JTQLQIEISA-N	0	1	248.286	0.508	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2cccnn2)C1=O	ZINC000899352072	584199494	/nfs/dbraw/zinc/19/94/94/584199494.db2.gz	ZECIEWHRLVXUHZ-SECBINFHSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2cncnc2)C1=O	ZINC000899356453	584200296	/nfs/dbraw/zinc/20/02/96/584200296.db2.gz	ZOCZCDTUFQJLLG-JTQLQIEISA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2cncnc2)c1=O	ZINC000899356453	584200297	/nfs/dbraw/zinc/20/02/97/584200297.db2.gz	ZOCZCDTUFQJLLG-JTQLQIEISA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CCCc1cc(=O)n(-c2cnn(C)c2)[nH]1	ZINC000899354764	584201952	/nfs/dbraw/zinc/20/19/52/584201952.db2.gz	JOSKZQDPQYFLJZ-UHFFFAOYSA-N	0	1	216.244	0.926	20	30		BCEDMN
C=C(C)C[C@H]1NC(=O)N(Cc2n[nH]c(C)n2)C1=O	ZINC000900150264	584280034	/nfs/dbraw/zinc/28/00/34/584280034.db2.gz	WZBJLAQCCVVLGX-MRVPVSSYSA-N	0	1	249.274	0.500	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000900329172	584295351	/nfs/dbraw/zinc/29/53/51/584295351.db2.gz	LPZFGCUBZZAEJQ-JFGNBEQYSA-N	0	1	239.319	0.060	20	30		BCEDMN
C=C1CCC(C(=O)NCc2nn[nH]n2)CC1	ZINC000900660059	584337188	/nfs/dbraw/zinc/33/71/88/584337188.db2.gz	RPCGABFKFZFSDK-UHFFFAOYSA-N	0	1	221.264	0.562	20	30		BCEDMN
CC(=NNC(=S)NC1CC1)c1c[nH]c(N)n1	ZINC000901137299	584389327	/nfs/dbraw/zinc/38/93/27/584389327.db2.gz	FABFNYZNSSCDEV-UHFFFAOYSA-N	0	1	238.320	0.342	20	30		BCEDMN
CCn1cc(C=NN=c2cc(C)[nH]cn2)nn1	ZINC000901187956	584393475	/nfs/dbraw/zinc/39/34/75/584393475.db2.gz	GNNKDHMBGWROTK-UHFFFAOYSA-N	0	1	231.263	0.842	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccnn2C2CCC2)N1	ZINC000901215087	584401682	/nfs/dbraw/zinc/40/16/82/584401682.db2.gz	HCTBUEKLEUWVOG-VIFPVBQESA-N	0	1	246.318	0.879	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn3ccnc3s2)N1	ZINC000901217330	584402043	/nfs/dbraw/zinc/40/20/43/584402043.db2.gz	WQLSVFRUFFEKMI-ZETCQYMHSA-N	0	1	248.315	0.667	20	30		BCEDMN
Cn1nncc1N=NCc1c2c(nn1C)CCC2	ZINC000901247651	584408835	/nfs/dbraw/zinc/40/88/35/584408835.db2.gz	JLKCMIQGHPJHGK-UHFFFAOYSA-N	0	1	245.290	0.483	20	30		BCEDMN
C(=NNC1=NCCN1)c1cnn(C2CCC2)c1	ZINC000901252456	584410188	/nfs/dbraw/zinc/41/01/88/584410188.db2.gz	GGMRJULCANYJIR-UHFFFAOYSA-N	0	1	232.291	0.491	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000901348829	584430856	/nfs/dbraw/zinc/43/08/56/584430856.db2.gz	DRLJSCMDHPPRPS-JQWIXIFHSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000901348828	584430872	/nfs/dbraw/zinc/43/08/72/584430872.db2.gz	DRLJSCMDHPPRPS-CMPLNLGQSA-N	0	1	226.320	0.476	20	30		BCEDMN
C#CCCOC(=O)NCc1cn[nH]c1C	ZINC000858919190	588985319	/nfs/dbraw/zinc/98/53/19/588985319.db2.gz	GSKFPBDGDOCXON-UHFFFAOYSA-N	0	1	207.233	0.968	20	30		BCEDMN
N#CCC[C@H](C#N)CNC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC000901581273	584467372	/nfs/dbraw/zinc/46/73/72/584467372.db2.gz	GMUWZSKIGMQXPU-LPWJVIDDSA-N	0	1	249.314	0.823	20	30		BCEDMN
N#CCC[C@@H](C#N)CNCCO[C@H]1CCOC1	ZINC000901616126	584469988	/nfs/dbraw/zinc/46/99/88/584469988.db2.gz	KVDIQLCIICLIJC-RYUDHWBXSA-N	0	1	237.303	0.825	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@H](Nc2ncccn2)C1	ZINC000903022677	584720587	/nfs/dbraw/zinc/72/05/87/584720587.db2.gz	KILYOOQWQIJKNI-WDEREUQCSA-N	0	1	247.302	0.237	20	30		BCEDMN
CCCCN(O)C(=O)CCCc1nn[nH]n1	ZINC000904214837	584856370	/nfs/dbraw/zinc/85/63/70/584856370.db2.gz	PAYMIUQPCMIDAS-UHFFFAOYSA-N	0	1	227.268	0.540	20	30		BCEDMN
C#CCCOC(=O)NCc1n[nH]c(CC)n1	ZINC000859171912	589013398	/nfs/dbraw/zinc/01/33/98/589013398.db2.gz	OVXPXKKMIRGGBA-UHFFFAOYSA-N	0	1	222.248	0.617	20	30		BCEDMN
CCC(C)(C)[C@H](O)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876803221	584887181	/nfs/dbraw/zinc/88/71/81/584887181.db2.gz	VMYQDMBQHCQQQZ-OPRDCNLKSA-N	0	1	239.319	0.011	20	30		BCEDMN
C#C[C@H](CC)NC(=O)[C@H]1CCCCN1C	ZINC000754358025	584917744	/nfs/dbraw/zinc/91/77/44/584917744.db2.gz	SMQISTUEDOABFN-GHMZBOCLSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCNC(=O)CN[C@](C)(CO)c1ccccc1	ZINC000731844820	584929473	/nfs/dbraw/zinc/92/94/73/584929473.db2.gz	VZVRIMXLYWCFDA-CQSZACIVSA-N	0	1	246.310	0.233	20	30		BCEDMN
CCc1cc(CNC(=O)CSCC#N)n[nH]1	ZINC000732790119	584940643	/nfs/dbraw/zinc/94/06/43/584940643.db2.gz	GYWYLPCFXZYYQE-UHFFFAOYSA-N	0	1	238.316	0.845	20	30		BCEDMN
C=C(Cl)Cn1cnnc1-c1nn[nH]n1	ZINC000735401936	584976819	/nfs/dbraw/zinc/97/68/19/584976819.db2.gz	AFVVRBQAZBVVIA-UHFFFAOYSA-N	0	1	211.616	0.211	20	30		BCEDMN
C=C(C)C[N@@H+](CC)CCC(=O)NCC(=O)[O-]	ZINC000736095384	584989645	/nfs/dbraw/zinc/98/96/45/584989645.db2.gz	TUYLOTHYDIQGCU-UHFFFAOYSA-N	0	1	228.292	0.475	20	30		BCEDMN
C[C@H](C#N)C[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000736201855	584991564	/nfs/dbraw/zinc/99/15/64/584991564.db2.gz	KLYBDMFAIMNAQY-SECBINFHSA-N	0	1	241.291	0.011	20	30		BCEDMN
C[C@H](C#N)C[N@@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000736201855	584991565	/nfs/dbraw/zinc/99/15/65/584991565.db2.gz	KLYBDMFAIMNAQY-SECBINFHSA-N	0	1	241.291	0.011	20	30		BCEDMN
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@](C)(O)C(=O)[O-]	ZINC000737451616	585032708	/nfs/dbraw/zinc/03/27/08/585032708.db2.gz	RMSJSCUXLWNQLF-CYBMUJFWSA-N	0	1	248.282	0.826	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC(=O)[O-]	ZINC000737492978	585033839	/nfs/dbraw/zinc/03/38/39/585033839.db2.gz	VNUCRXOLKLMQMK-JTQLQIEISA-N	0	1	238.287	0.017	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1C(=O)NCCC#N	ZINC000838573872	585061077	/nfs/dbraw/zinc/06/10/77/585061077.db2.gz	TZLMJCUMMPUVBO-SNVBAGLBSA-N	0	1	224.308	0.636	20	30		BCEDMN
C#CCN(CC#CC)CCC(=O)N1CCCC1	ZINC000838854943	585075315	/nfs/dbraw/zinc/07/53/15/585075315.db2.gz	SGINRIKNGSTQJD-UHFFFAOYSA-N	0	1	232.327	0.957	20	30		BCEDMN
CS[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000103330373	585098007	/nfs/dbraw/zinc/09/80/07/585098007.db2.gz	LWFSWKBZXOWTSC-JGVFFNPUSA-N	0	1	228.317	0.971	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCOC1	ZINC000740535202	585102825	/nfs/dbraw/zinc/10/28/25/585102825.db2.gz	KWLRDUUKKOTFDA-NXEZZACHSA-N	0	1	238.287	0.646	20	30		BCEDMN
C=CC1CCN(CCS(N)(=O)=O)CC1	ZINC000740877438	585107638	/nfs/dbraw/zinc/10/76/38/585107638.db2.gz	NIDZBJYXYUAGKW-UHFFFAOYSA-N	0	1	218.322	0.173	20	30		BCEDMN
CC(C)S(=O)(=O)NN=C1CC[N@@H+](C)[C@H](C)C1	ZINC000741459851	585113329	/nfs/dbraw/zinc/11/33/29/585113329.db2.gz	IKNXGRHRCUZZIO-SECBINFHSA-N	0	1	247.364	0.784	20	30		BCEDMN
CC(C)S(=O)(=O)NN=C1CCN(C)[C@H](C)C1	ZINC000741459851	585113330	/nfs/dbraw/zinc/11/33/30/585113330.db2.gz	IKNXGRHRCUZZIO-SECBINFHSA-N	0	1	247.364	0.784	20	30		BCEDMN
C[C@@H]1CC(N=NCCS(C)(=O)=O)CCN1C	ZINC000741460811	585114539	/nfs/dbraw/zinc/11/45/39/585114539.db2.gz	QGECSBSSWDDHKE-SECBINFHSA-N	0	1	247.364	0.091	20	30		BCEDMN
C#CCCCNC(=O)N[C@@H]1CCC[N@H+](C)C1	ZINC000745717785	585160548	/nfs/dbraw/zinc/16/05/48/585160548.db2.gz	AQNBXHGWGZGKDC-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)c1ncn[nH]1	ZINC000746162229	585164453	/nfs/dbraw/zinc/16/44/53/585164453.db2.gz	KDYPEFGIDGALQB-ZETCQYMHSA-N	0	1	207.237	0.473	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)c1nc[nH]n1	ZINC000746162229	585164454	/nfs/dbraw/zinc/16/44/54/585164454.db2.gz	KDYPEFGIDGALQB-ZETCQYMHSA-N	0	1	207.237	0.473	20	30		BCEDMN
COc1ncnc(N)c1CN=Nc1cccnn1	ZINC000747632709	585181532	/nfs/dbraw/zinc/18/15/32/585181532.db2.gz	PIHJZZKBMDYVOQ-UHFFFAOYSA-N	0	1	245.246	0.303	20	30		BCEDMN
CCOC[C@H]1CCN(CC(=O)NCCC#N)C1	ZINC000747966974	585186540	/nfs/dbraw/zinc/18/65/40/585186540.db2.gz	PQZOWLXJLIUUOV-NSHDSACASA-N	0	1	239.319	0.375	20	30		BCEDMN
C[C@@H](CO)NN=Cc1cc(F)c(O)c(F)c1	ZINC000749861115	585207913	/nfs/dbraw/zinc/20/79/13/585207913.db2.gz	DSGAVYJKNFLAIX-LURJTMIESA-N	0	1	230.214	0.975	20	30		BCEDMN
CO[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000750395415	585214046	/nfs/dbraw/zinc/21/40/46/585214046.db2.gz	NYBRFJWGGLZSRR-VXNVDRBHSA-N	0	1	224.260	0.399	20	30		BCEDMN
CS/C=C\C(=O)NC1(C#N)CCN(C)CC1	ZINC000751577975	585233375	/nfs/dbraw/zinc/23/33/75/585233375.db2.gz	HOAYFTDJNOELIB-BAQGIRSFSA-N	0	1	239.344	0.967	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H]1CC1(C)C	ZINC000752478185	585246623	/nfs/dbraw/zinc/24/66/23/585246623.db2.gz	ZQRBIYSBDQMATF-IUCAKERBSA-N	0	1	238.287	0.504	20	30		BCEDMN
CCOC(=O)[C@@H](CC1CC1)NC(=O)C(C)C#N	ZINC000752722315	585248770	/nfs/dbraw/zinc/24/87/70/585248770.db2.gz	CFIXYOGMHIDPDK-PSASIEDQSA-N	0	1	238.287	0.994	20	30		BCEDMN
C#CC(=O)NC[C@H]1CN(CC(C)C)CCO1	ZINC000753903073	585271696	/nfs/dbraw/zinc/27/16/96/585271696.db2.gz	UGFLHBRTGWCPGP-NSHDSACASA-N	0	1	224.304	0.093	20	30		BCEDMN
CC[C@]1(C)NC(=O)N(N=Cc2[nH]cnc2C)C1=O	ZINC000755554892	585301364	/nfs/dbraw/zinc/30/13/64/585301364.db2.gz	OIWUWDMWJQSTES-NSHDSACASA-N	0	1	249.274	0.773	20	30		BCEDMN
Cc1nn(-c2ccccc2)cc1C=NNC(=N)N	ZINC000755634560	585303016	/nfs/dbraw/zinc/30/30/16/585303016.db2.gz	WGCIFZQQBAGRER-UHFFFAOYSA-N	0	1	242.286	0.998	20	30		BCEDMN
C[C@@H](CO)N=NC1CN(C2CC2)C[C@H]1C	ZINC000755891473	585309286	/nfs/dbraw/zinc/30/92/86/585309286.db2.gz	HAUFNEWSCYDVND-BDAKNGLRSA-N	0	1	211.309	0.427	20	30		BCEDMN
COC[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000756234929	585316000	/nfs/dbraw/zinc/31/60/00/585316000.db2.gz	ZHVVEQLKRWEPDC-WCBMZHEXSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)C1=COCC1	ZINC000756542425	585321060	/nfs/dbraw/zinc/32/10/60/585321060.db2.gz	INRSNZRYHBMABO-LBPRGKRZSA-N	0	1	235.283	0.931	20	30		BCEDMN
C#C[C@H](N[C@H]1CCCNC1=O)[C@H]1CCCO1	ZINC000839563302	585331192	/nfs/dbraw/zinc/33/11/92/585331192.db2.gz	HAVRUUQUNJYMJX-GARJFASQSA-N	0	1	222.288	0.035	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839781972	585341793	/nfs/dbraw/zinc/34/17/93/585341793.db2.gz	COLAKEVMAUNHEY-BGZDPUMWSA-N	0	1	226.232	0.111	20	30		BCEDMN
C#CCNC(=S)NCCCc1cn[nH]c1C	ZINC000758184510	585351283	/nfs/dbraw/zinc/35/12/83/585351283.db2.gz	CNMIIKVBIGZANG-UHFFFAOYSA-N	0	1	236.344	0.748	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)C[C@H]1C(C)C	ZINC000758241233	585352748	/nfs/dbraw/zinc/35/27/48/585352748.db2.gz	ZQJDBFRGWSHTDY-NSHDSACASA-N	0	1	239.388	0.766	20	30		BCEDMN
C#CCCOC(=O)N(C)CC1CN(C)C1	ZINC000859221288	589021253	/nfs/dbraw/zinc/02/12/53/589021253.db2.gz	MHYYNMBZDBKISP-UHFFFAOYSA-N	0	1	210.277	0.640	20	30		BCEDMN
N#CC(C(=O)C1=COCC1)c1ccncn1	ZINC000760335751	585390569	/nfs/dbraw/zinc/39/05/69/585390569.db2.gz	VKSYZDGIPBYNGC-SECBINFHSA-N	0	1	215.212	0.957	20	30		BCEDMN
N#CCCNC(=O)CN1CCCSCC1	ZINC000761015771	585403769	/nfs/dbraw/zinc/40/37/69/585403769.db2.gz	MCIMXBSNXDMXIA-UHFFFAOYSA-N	0	1	227.333	0.455	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)CN1CC[C@H]2C[C@H]21	ZINC000761089588	585408087	/nfs/dbraw/zinc/40/80/87/585408087.db2.gz	JEFDBWATNGEVKY-NWDGAFQWSA-N	0	1	246.314	0.737	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@H]2C[C@H]21	ZINC000761092057	585408211	/nfs/dbraw/zinc/40/82/11/585408211.db2.gz	WJORBAHRJGLUME-WDEREUQCSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@H](C(F)F)C1	ZINC000761109883	585410386	/nfs/dbraw/zinc/41/03/86/585410386.db2.gz	PXZCLOLYLXSNQI-IUCAKERBSA-N	0	1	230.258	0.711	20	30		BCEDMN
C[C@H]1CC(N=Nc2cccnn2)CN1C	ZINC000761812763	585418694	/nfs/dbraw/zinc/41/86/94/585418694.db2.gz	OMDMHIGRLDYTQI-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
CN(C)c1nc(=NN=C2CCN(C)C2=O)cc[nH]1	ZINC000761810874	585419238	/nfs/dbraw/zinc/41/92/38/585419238.db2.gz	UWRFJJCLRYLGNP-UHFFFAOYSA-N	0	1	248.290	0.173	20	30		BCEDMN
C[C@@H]1CC(N=Nc2ccc(C(N)=O)nn2)CN1C	ZINC000761816751	585419300	/nfs/dbraw/zinc/41/93/00/585419300.db2.gz	GNSGKNIZGUTQLX-SSDOTTSWSA-N	0	1	248.290	0.067	20	30		BCEDMN
C#CCOCCOC(=O)Cc1cc(C)[nH]n1	ZINC000762713578	585435755	/nfs/dbraw/zinc/43/57/55/585435755.db2.gz	YXWUSBZGMDNWPJ-UHFFFAOYSA-N	0	1	222.244	0.454	20	30		BCEDMN
C[C@H]1CC(NC(=O)CN2CCC(C)CC2)=NO1	ZINC000763261401	585445419	/nfs/dbraw/zinc/44/54/19/585445419.db2.gz	RCQVQRQFABBKBR-JTQLQIEISA-N	0	1	239.319	0.957	20	30		BCEDMN
COc1nccnc1N=NC1C[C@H](C)N(C)C1	ZINC000763412206	585447477	/nfs/dbraw/zinc/44/74/77/585447477.db2.gz	OFIYCORHUUYIIR-QMMMGPOBSA-N	0	1	235.291	0.977	20	30		BCEDMN
C#CCCNC(=O)CN(C)[C@H]1CCSC1	ZINC000764249259	585462989	/nfs/dbraw/zinc/46/29/89/585462989.db2.gz	SDFXXNKQKYEMNV-JTQLQIEISA-N	0	1	226.345	0.563	20	30		BCEDMN
C=C(CN(C)C)C(=O)NCC(=O)C(C)(C)C	ZINC000764625670	585469437	/nfs/dbraw/zinc/46/94/37/585469437.db2.gz	WXHOOALSIKOIRC-UHFFFAOYSA-N	0	1	226.320	0.836	20	30		BCEDMN
CS(=O)(=O)NN=Cc1cccc(Cl)c1O	ZINC000764705369	585471426	/nfs/dbraw/zinc/47/14/26/585471426.db2.gz	VJQILGYMSVSEEU-UHFFFAOYSA-N	0	1	248.691	0.929	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@]12CCOC2	ZINC000764755942	585472863	/nfs/dbraw/zinc/47/28/63/585472863.db2.gz	JXXGYRRLTYMRTI-OPQQBVKSSA-N	0	1	248.282	0.400	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@H]2CCCCN2C)=NO1	ZINC000765372726	585484432	/nfs/dbraw/zinc/48/44/32/585484432.db2.gz	NHQWCNCCFICPRE-DTWKUNHWSA-N	0	1	225.292	0.709	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2CCCCN2C)=NO1	ZINC000765372728	585484497	/nfs/dbraw/zinc/48/44/97/585484497.db2.gz	NHQWCNCCFICPRE-RKDXNWHRSA-N	0	1	225.292	0.709	20	30		BCEDMN
CCC[N@@H+](C)CC(=O)NC1=NO[C@@H](C)C1	ZINC000765384668	585485286	/nfs/dbraw/zinc/48/52/86/585485286.db2.gz	POCKPXWLVJODRP-QMMMGPOBSA-N	0	1	213.281	0.567	20	30		BCEDMN
C#CCCCCC(=O)OCc1nn(C)c(=O)[nH]1	ZINC000765503377	585488400	/nfs/dbraw/zinc/48/84/00/585488400.db2.gz	NSTQHLNIBDWGFE-UHFFFAOYSA-N	0	1	237.259	0.345	20	30		BCEDMN
N=C(N)NN=Cc1ccn(-c2ccccc2)n1	ZINC000766690852	585505701	/nfs/dbraw/zinc/50/57/01/585505701.db2.gz	KNHYNLGTQJGSOS-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@@H]1CCO	ZINC000767592168	585522752	/nfs/dbraw/zinc/52/27/52/585522752.db2.gz	GHBLEFYAKFZBNB-NWDGAFQWSA-N	0	1	229.320	0.397	20	30		BCEDMN
C=CCC[C@H](O)CN1CCOC[C@@H]1CCO	ZINC000767592169	585522972	/nfs/dbraw/zinc/52/29/72/585522972.db2.gz	GHBLEFYAKFZBNB-RYUDHWBXSA-N	0	1	229.320	0.397	20	30		BCEDMN
COc1cc(C=NNC(=N)N)ccc1[N+](=O)[O-]	ZINC000770595515	585577153	/nfs/dbraw/zinc/57/71/53/585577153.db2.gz	DTXIRVQPRJXDAL-UHFFFAOYSA-N	0	1	237.219	0.420	20	30		BCEDMN
Cc1cc(C)c(C=Nn2cn[nH]c2=O)[nH]1	ZINC000770615882	585577434	/nfs/dbraw/zinc/57/74/34/585577434.db2.gz	SMJLBYUZLRNZGD-UHFFFAOYSA-N	0	1	205.221	0.811	20	30		BCEDMN
C[C@@H]1CC(=NOCC(N)=O)CN1C1CC1	ZINC000771571489	585596705	/nfs/dbraw/zinc/59/67/05/585596705.db2.gz	BFOIVIMTCJUAMI-SSDOTTSWSA-N	0	1	211.265	0.101	20	30		BCEDMN
CC(=NOCC(N)=O)c1ccc(N(C)C)cc1	ZINC000771571904	585596712	/nfs/dbraw/zinc/59/67/12/585596712.db2.gz	JZFUOSXLBVLIPV-UHFFFAOYSA-N	0	1	235.287	0.979	20	30		BCEDMN
NC(=O)CON=Cc1cc(F)c(O)c(F)c1	ZINC000771575246	585596902	/nfs/dbraw/zinc/59/69/02/585596902.db2.gz	UWLZJJDRRQGXRV-UHFFFAOYSA-N	0	1	230.170	0.506	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@@H](C)CO)CC1	ZINC000772112899	585608641	/nfs/dbraw/zinc/60/86/41/585608641.db2.gz	BYFSAKYDUJJJGR-NSHDSACASA-N	0	1	239.315	0.503	20	30		BCEDMN
C=Cn1cc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000773078054	585630853	/nfs/dbraw/zinc/63/08/53/585630853.db2.gz	FERVTMVXTKABKG-MRVPVSSYSA-N	0	1	218.264	0.255	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1cc(CC)[nH]n1	ZINC000773591815	585641239	/nfs/dbraw/zinc/64/12/39/585641239.db2.gz	COFUMLAEEFRHAM-QMMMGPOBSA-N	0	1	220.276	0.793	20	30		BCEDMN
CON=CC(=O)Nc1cc(C#N)ccc1O	ZINC000774081411	585649957	/nfs/dbraw/zinc/64/99/57/585649957.db2.gz	LRLYEGAXRBDXHG-UHFFFAOYSA-N	0	1	219.200	0.835	20	30		BCEDMN
Cn1[nH]ccc1=NN=C1CCN2CCC[C@H]12	ZINC000774413380	585657923	/nfs/dbraw/zinc/65/79/23/585657923.db2.gz	OOGSJAAYZJMJKP-SNVBAGLBSA-N	0	1	219.292	0.478	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1	ZINC000776519183	585699764	/nfs/dbraw/zinc/69/97/64/585699764.db2.gz	YXBCUQVGSCARGH-IWSPIJDZSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCCN1CCN(CC2(C#N)CC2)CC1	ZINC000776594272	585702389	/nfs/dbraw/zinc/70/23/89/585702389.db2.gz	BKJYHLKSWTWZJA-UHFFFAOYSA-N	0	1	217.316	0.931	20	30		BCEDMN
C#CCCN1CCN(CCN2CCCC2=O)CC1	ZINC000776592787	585702439	/nfs/dbraw/zinc/70/24/39/585702439.db2.gz	MZRSUZPGRSEFAO-UHFFFAOYSA-N	0	1	249.358	0.250	20	30		BCEDMN
N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1F	ZINC000777881754	585722209	/nfs/dbraw/zinc/72/22/09/585722209.db2.gz	IVGJMXBKNSHQJU-UHFFFAOYSA-N	0	1	225.183	0.551	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@@H](C)N2)cc1	ZINC000779781026	585762550	/nfs/dbraw/zinc/76/25/50/585762550.db2.gz	AHDOPEDOEQTURP-SECBINFHSA-N	0	1	232.287	0.966	20	30		BCEDMN
CCn1cc(C(C)=NNC2=NC[C@@H](C)N2)cn1	ZINC000779790855	585763805	/nfs/dbraw/zinc/76/38/05/585763805.db2.gz	BDLGXHOTMHFPBR-MRVPVSSYSA-N	0	1	234.307	0.564	20	30		BCEDMN
COc1cc(C=NNC2=NC[C@H](C)N2)ccc1O	ZINC000779791648	585763922	/nfs/dbraw/zinc/76/39/22/585763922.db2.gz	DUSRPSBLCGTWEI-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn3cccnc3n2)N1	ZINC000779792544	585763999	/nfs/dbraw/zinc/76/39/99/585763999.db2.gz	SSSQKXJUDMCUMD-QMMMGPOBSA-N	0	1	243.274	0.001	20	30		BCEDMN
Cc1nc(C=NNC2=NC[C@H](C)N2)cs1	ZINC000779793289	585764046	/nfs/dbraw/zinc/76/40/46/585764046.db2.gz	RVOWUAYWFPECEJ-LURJTMIESA-N	0	1	223.305	0.723	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(C#N)o2)N1	ZINC000779792752	585764083	/nfs/dbraw/zinc/76/40/83/585764083.db2.gz	TYHQAWRCPUIBQW-SSDOTTSWSA-N	0	1	217.232	0.422	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@H](C)N2)nc1	ZINC000779794961	585764338	/nfs/dbraw/zinc/76/43/38/585764338.db2.gz	NIZFUWARGPSFQL-VIFPVBQESA-N	0	1	217.276	0.661	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1ccc(F)cn1	ZINC000779794986	585764350	/nfs/dbraw/zinc/76/43/50/585764350.db2.gz	NWBJVEXNIZVOIF-ZETCQYMHSA-N	0	1	235.266	0.882	20	30		BCEDMN
C#CCCN(C)Cc1cnc(N(C)C)nc1	ZINC000780326400	585777896	/nfs/dbraw/zinc/77/78/96/585777896.db2.gz	PNKLKRQHZSVVEZ-UHFFFAOYSA-N	0	1	218.304	0.998	20	30		BCEDMN
COCC#CCN1CCC2(CNC(=O)O2)CC1	ZINC000782002885	585806277	/nfs/dbraw/zinc/80/62/77/585806277.db2.gz	BFQJNHHZGQUWAM-UHFFFAOYSA-N	0	1	238.287	0.211	20	30		BCEDMN
C=CCNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784490209	585861014	/nfs/dbraw/zinc/86/10/14/585861014.db2.gz	CTRFCWGGLDOQEN-RKDXNWHRSA-N	0	1	226.251	0.992	20	30		BCEDMN
C#CCN(C)C[C@@H](O)COc1ccccc1C#N	ZINC000859275612	589026412	/nfs/dbraw/zinc/02/64/12/589026412.db2.gz	PGOWOEFMXCKJIA-CYBMUJFWSA-N	0	1	244.294	0.863	20	30		BCEDMN
C=CCCN(C)CN1CC(=O)N(C)C1=O	ZINC000786102442	585887563	/nfs/dbraw/zinc/88/75/63/585887563.db2.gz	PSAIEKYUHXHMEA-UHFFFAOYSA-N	0	1	211.265	0.346	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)NOCCO	ZINC000787292812	585905445	/nfs/dbraw/zinc/90/54/45/585905445.db2.gz	RFORDTLSLCQRBR-SNVBAGLBSA-N	0	1	217.265	0.255	20	30		BCEDMN
N#CCCNC(=O)c1nnc2ccccc2c1O	ZINC000787629727	585913296	/nfs/dbraw/zinc/91/32/96/585913296.db2.gz	DIELCXJEMLMBOW-UHFFFAOYSA-N	0	1	242.238	0.979	20	30		BCEDMN
C[C@H]1CC(N=N[C@@H]2CCOC2)CN1C1CC1	ZINC000788449221	585924344	/nfs/dbraw/zinc/92/43/44/585924344.db2.gz	WZXPRMSPKFUWGW-VHSXEESVSA-N	0	1	223.320	0.978	20	30		BCEDMN
C#CCn1ccc(CN(CC)C[C@@H](C)CO)n1	ZINC000789332603	585939978	/nfs/dbraw/zinc/93/99/78/585939978.db2.gz	UIKGLUKRUWWAJH-GFCCVEGCSA-N	0	1	235.331	0.967	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@@H](C)N2)n1	ZINC000790175068	585959532	/nfs/dbraw/zinc/95/95/32/585959532.db2.gz	YFPANJQSGQKZIW-MRVPVSSYSA-N	0	1	233.275	0.361	20	30		BCEDMN
Cn1cc[nH+]c1[N-]N=Cc1ccccc1C(N)=O	ZINC000790306230	585963290	/nfs/dbraw/zinc/96/32/90/585963290.db2.gz	SXCWNLWDCZTIRC-UHFFFAOYSA-N	0	1	243.270	0.965	20	30		BCEDMN
COCCn1cc(C=N[N-]c2[nH+]ccn2C)cn1	ZINC000790303839	585963342	/nfs/dbraw/zinc/96/33/42/585963342.db2.gz	YHKWEXUXGCIFFY-UHFFFAOYSA-N	0	1	248.290	0.709	20	30		BCEDMN
C=C(CN(C)C)C(=O)N(C)[C@H](C)C[S@](C)=O	ZINC000791393178	585980173	/nfs/dbraw/zinc/98/01/73/585980173.db2.gz	AKILQZDPHJAEQZ-HWPZZCPQSA-N	0	1	246.376	0.330	20	30		BCEDMN
C=CCN(CCOC)CCN1CCOC1=O	ZINC000792406694	586000172	/nfs/dbraw/zinc/00/01/72/586000172.db2.gz	KSOCNYILDOOTTB-UHFFFAOYSA-N	0	1	228.292	0.573	20	30		BCEDMN
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C(C)C#N	ZINC000794215428	586035494	/nfs/dbraw/zinc/03/54/94/586035494.db2.gz	HPWBTEPYQKXOMJ-CSMHCCOUSA-N	0	1	228.223	0.258	20	30		BCEDMN
CC(=NNc1nccn1C)c1cn[nH]c1	ZINC000794858996	586051620	/nfs/dbraw/zinc/05/16/20/586051620.db2.gz	DENVPSNKCJUPGU-UHFFFAOYSA-N	0	1	204.237	0.979	20	30		BCEDMN
C#CCC(CC#C)C(=O)OCc1n[nH]c(C)n1	ZINC000795596975	586088113	/nfs/dbraw/zinc/08/81/13/586088113.db2.gz	AWNMKWIECQPJTG-UHFFFAOYSA-N	0	1	231.255	0.819	20	30		BCEDMN
CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)NC	ZINC000796644638	586109253	/nfs/dbraw/zinc/10/92/53/586109253.db2.gz	XOJIZHVGHFXYIE-XKSSXDPKSA-N	0	1	226.276	0.502	20	30		BCEDMN
Cc1nc(COC(=O)c2ccnc(C#N)c2)n[nH]1	ZINC000796768590	586112005	/nfs/dbraw/zinc/11/20/05/586112005.db2.gz	RLIAUZPZSOGBIH-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
C#Cc1cncc(C(=O)N[C@@H](C)c2nnc[nH]2)c1	ZINC000798301433	586142487	/nfs/dbraw/zinc/14/24/87/586142487.db2.gz	DBASTLFKQOWJFQ-QMMMGPOBSA-N	0	1	241.254	0.672	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCN(CC=C)C1=O)[C@H]1CCCO1	ZINC000799167421	586163333	/nfs/dbraw/zinc/16/33/33/586163333.db2.gz	XVYXCPICBJIIMR-YNEHKIRRSA-N	0	1	248.326	0.544	20	30		BCEDMN
CC#CC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000801179819	586245694	/nfs/dbraw/zinc/24/56/94/586245694.db2.gz	FHFWSGKQRINQSN-ZETCQYMHSA-N	0	1	206.249	0.568	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCCC[C@@]1(C)C(N)=O	ZINC000801940347	586280068	/nfs/dbraw/zinc/28/00/68/586280068.db2.gz	AEULURGBCGDCNF-JQWIXIFHSA-N	0	1	239.319	0.645	20	30		BCEDMN
CCN(CCO[C@@H](C)C#N)[C@H]1CCNC1=O	ZINC000801953328	586283271	/nfs/dbraw/zinc/28/32/71/586283271.db2.gz	MSMULLHWSIAHQU-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
CCN1CCN(C(=O)C=NOC)[C@@H](C)C1	ZINC000804379494	586394169	/nfs/dbraw/zinc/39/41/69/586394169.db2.gz	MEPHMTZTFSCZSW-VIFPVBQESA-N	0	1	213.281	0.171	20	30		BCEDMN
C=CCNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C	ZINC000806277580	586408333	/nfs/dbraw/zinc/40/83/33/586408333.db2.gz	DFCITMNESAFVHU-MNOVXSKESA-N	0	1	241.335	0.269	20	30		BCEDMN
C=CCNC(=O)N1CCN(CCO)C(C)(C)C1	ZINC000806277387	586408657	/nfs/dbraw/zinc/40/86/57/586408657.db2.gz	ALKNLRWAKIKUIU-UHFFFAOYSA-N	0	1	241.335	0.271	20	30		BCEDMN
Cc1ccccc1-n1cc(C=NNC(=N)N)nn1	ZINC000807961684	586453050	/nfs/dbraw/zinc/45/30/50/586453050.db2.gz	AHOKJYOJWFTOME-UHFFFAOYSA-N	0	1	243.274	0.393	20	30		BCEDMN
N#CC[C@@H](O)CN1CCc2ccccc2[C@H]1CO	ZINC000809575924	586508164	/nfs/dbraw/zinc/50/81/64/586508164.db2.gz	GORSFFZVGZSAIW-TZMCWYRMSA-N	0	1	246.310	0.853	20	30		BCEDMN
CON=CC(=O)N1C[C@@H](C)N(C)C[C@H]1C	ZINC000809744033	586516491	/nfs/dbraw/zinc/51/64/91/586516491.db2.gz	RDZZSXNVNBPGMS-RKDXNWHRSA-N	0	1	213.281	0.170	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C	ZINC000809746666	586516967	/nfs/dbraw/zinc/51/69/67/586516967.db2.gz	XOCHEMCHWHZYRL-IUCAKERBSA-N	0	1	213.281	0.170	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@H](C)[C@H]1C	ZINC000809746668	586517068	/nfs/dbraw/zinc/51/70/68/586517068.db2.gz	XOCHEMCHWHZYRL-RKDXNWHRSA-N	0	1	213.281	0.170	20	30		BCEDMN
CON=CC(=O)NCCN1CC=C(C)CC1	ZINC000809765975	586518394	/nfs/dbraw/zinc/51/83/94/586518394.db2.gz	SYRMBORANMWHSB-UHFFFAOYSA-N	0	1	225.292	0.387	20	30		BCEDMN
C#Cc1ccccc1CC(=O)NCc1c[nH]nn1	ZINC000810470275	586539644	/nfs/dbraw/zinc/53/96/44/586539644.db2.gz	ZQROAXHAIXMRMA-UHFFFAOYSA-N	0	1	240.266	0.645	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cccc(C#N)n2)NO1	ZINC000810787407	586547146	/nfs/dbraw/zinc/54/71/46/586547146.db2.gz	VGAHAIQOMGEFLD-SSDOTTSWSA-N	0	1	230.227	0.805	20	30		BCEDMN
COCCCON=Cc1cnc(N(C)C)n1C	ZINC000811649952	586562703	/nfs/dbraw/zinc/56/27/03/586562703.db2.gz	DQGQMGULPUSTBX-UHFFFAOYSA-N	0	1	240.307	0.873	20	30		BCEDMN
C#CCNC(=S)N[C@H]1CCc2nc[nH]c2C1	ZINC000811712642	586566223	/nfs/dbraw/zinc/56/62/23/586566223.db2.gz	DGWRTUHNCAMRNL-QMMMGPOBSA-N	0	1	234.328	0.364	20	30		BCEDMN
C#CCOCCc1nc([C@H]2CCCN2)no1	ZINC000842639572	586570121	/nfs/dbraw/zinc/57/01/21/586570121.db2.gz	RAQRCRFUDZCSFJ-SECBINFHSA-N	0	1	221.260	0.686	20	30		BCEDMN
C[C@@H](C(=O)NCc1ccc(C#N)cn1)N(C)C	ZINC000813707691	586605498	/nfs/dbraw/zinc/60/54/98/586605498.db2.gz	CYSJDNKADDLEIE-VIFPVBQESA-N	0	1	232.287	0.520	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840304047	586609061	/nfs/dbraw/zinc/60/90/61/586609061.db2.gz	CKBIDTCUIMOBLI-ZXFLCMHBSA-N	0	1	211.221	0.460	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840307519	586610598	/nfs/dbraw/zinc/61/05/98/586610598.db2.gz	ZXTRCPYYDDZTGY-BWZBUEFSSA-N	0	1	211.221	0.460	20	30		BCEDMN
OCCNN=Cc1ccc(N2CCCC2)nc1	ZINC000814942148	586656583	/nfs/dbraw/zinc/65/65/83/586656583.db2.gz	LEFGHOQXJSJGOO-UHFFFAOYSA-N	0	1	234.303	0.598	20	30		BCEDMN
O=C([O-])CNN=C1CC[N@H+](Cc2ccccc2)C1	ZINC000814958159	586658223	/nfs/dbraw/zinc/65/82/23/586658223.db2.gz	BTQNWTRBJNNJGE-UHFFFAOYSA-N	0	1	247.298	0.923	20	30		BCEDMN
O=C([O-])CNN=C1CC[N@@H+](Cc2ccccc2)C1	ZINC000814958159	586658224	/nfs/dbraw/zinc/65/82/24/586658224.db2.gz	BTQNWTRBJNNJGE-UHFFFAOYSA-N	0	1	247.298	0.923	20	30		BCEDMN
Cn1nncc1N=NCc1ccc(O)cc1	ZINC000814979685	586662409	/nfs/dbraw/zinc/66/24/09/586662409.db2.gz	OZMCPDGLWICGHT-UHFFFAOYSA-N	0	1	217.232	0.967	20	30		BCEDMN
CC(=NNc1cnnn1C)c1cc(C)n(C)n1	ZINC000814981734	586663120	/nfs/dbraw/zinc/66/31/20/586663120.db2.gz	ODZLULZNHZBTGS-UHFFFAOYSA-N	0	1	233.279	0.693	20	30		BCEDMN
CCN(CC(=O)NC)[C@@H]1CC[C@H](C#N)C1	ZINC000815020918	586664420	/nfs/dbraw/zinc/66/44/20/586664420.db2.gz	HBPMISWGDMBEDX-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC(C)n1cc(C(=O)NC2=NO[C@@H](C)C2)nn1	ZINC000815885489	586696169	/nfs/dbraw/zinc/69/61/69/586696169.db2.gz	PMJPGPFQKUDJJQ-ZETCQYMHSA-N	0	1	237.263	0.711	20	30		BCEDMN
Cc1onc(CC(=O)NOCC2CC2)c1C#N	ZINC000817334427	586796516	/nfs/dbraw/zinc/79/65/16/586796516.db2.gz	JYBDOYNKXNNRCQ-UHFFFAOYSA-N	0	1	235.243	0.855	20	30		BCEDMN
C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000817772337	586827463	/nfs/dbraw/zinc/82/74/63/586827463.db2.gz	UWNZVMYDAFAQCF-CABZTGNLSA-N	0	1	248.282	0.997	20	30		BCEDMN
C#CCOCCN1CCN(CCCF)CC1	ZINC000860006428	589075372	/nfs/dbraw/zinc/07/53/72/589075372.db2.gz	DVRSPKBAXMVYHR-UHFFFAOYSA-N	0	1	228.311	0.613	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000819633013	586984021	/nfs/dbraw/zinc/98/40/21/586984021.db2.gz	CVCISXHOLXDKMF-JQCXWYLXSA-N	0	1	223.232	0.460	20	30		BCEDMN
C=CC[N@H+](CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819713313	586988157	/nfs/dbraw/zinc/98/81/57/586988157.db2.gz	HUCCENXOFHJXCU-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCC[N@H+](CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819713631	586988301	/nfs/dbraw/zinc/98/83/01/586988301.db2.gz	YZXMUPRFTFWEQP-SECBINFHSA-N	0	1	228.292	0.474	20	30		BCEDMN
C[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)N(C)CCC#N	ZINC000819889210	587000758	/nfs/dbraw/zinc/00/07/58/587000758.db2.gz	NNSLRAHCJWPWDT-SECBINFHSA-N	0	1	241.291	0.153	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000820405509	587046611	/nfs/dbraw/zinc/04/66/11/587046611.db2.gz	HJORQYVDJOTETM-NKWVEPMBSA-N	0	1	221.264	0.495	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000820405506	587046648	/nfs/dbraw/zinc/04/66/48/587046648.db2.gz	HJORQYVDJOTETM-BQBZGAKWSA-N	0	1	221.264	0.495	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCCN1CC=CCC1	ZINC000820413363	587047194	/nfs/dbraw/zinc/04/71/94/587047194.db2.gz	YWPNJUVQQAWBAC-NSHDSACASA-N	0	1	221.304	0.569	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000820422999	587047811	/nfs/dbraw/zinc/04/78/11/587047811.db2.gz	QCGWTRYAMIWYPL-NKWVEPMBSA-N	0	1	207.237	0.187	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000820423775	587047848	/nfs/dbraw/zinc/04/78/48/587047848.db2.gz	WNGXSLBPFHWVJS-HTQZYQBOSA-N	0	1	235.291	0.749	20	30		BCEDMN
CC#CCNC(=O)NCCCc1nc[nH]n1	ZINC000820446721	587049660	/nfs/dbraw/zinc/04/96/60/587049660.db2.gz	OOYUIXDGXVBGNO-UHFFFAOYSA-N	0	1	221.264	0.060	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000820653919	587062490	/nfs/dbraw/zinc/06/24/90/587062490.db2.gz	CMLTZTFBYJZXPM-IUCAKERBSA-N	0	1	235.291	0.967	20	30		BCEDMN
N#Cc1cc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)ccn1	ZINC000860164537	589084884	/nfs/dbraw/zinc/08/48/84/589084884.db2.gz	JOSUCMFEDRPLGH-JQWIXIFHSA-N	0	1	243.266	0.558	20	30		BCEDMN
CCc1cc(C(=O)NC2=NO[C@H](C)C2)n(C)n1	ZINC000821394283	587116206	/nfs/dbraw/zinc/11/62/06/587116206.db2.gz	JBUYLTMJUVXBEY-SSDOTTSWSA-N	0	1	236.275	0.835	20	30		BCEDMN
C#CCn1cc(CNC(=O)[C@@H](C)N(C)C)cn1	ZINC000822495051	587171801	/nfs/dbraw/zinc/17/18/01/587171801.db2.gz	RISWLGRGTMTPTC-SNVBAGLBSA-N	0	1	234.303	0.083	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000823313646	587216146	/nfs/dbraw/zinc/21/61/46/587216146.db2.gz	BRDKMWQOCPHGRB-JQWIXIFHSA-N	0	1	236.315	0.114	20	30		BCEDMN
C=CCONC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000823421058	587221411	/nfs/dbraw/zinc/22/14/11/587221411.db2.gz	KGBZSTNTJCYZNY-HTQZYQBOSA-N	0	1	207.233	0.747	20	30		BCEDMN
C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823451735	587223179	/nfs/dbraw/zinc/22/31/79/587223179.db2.gz	ZUSUQIWGFWUCLW-ZJUUUORDSA-N	0	1	208.261	0.836	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000823497061	587227395	/nfs/dbraw/zinc/22/73/95/587227395.db2.gz	VLMGCJMBVDWREU-VHSXEESVSA-N	0	1	228.292	0.655	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000823541801	587230633	/nfs/dbraw/zinc/23/06/33/587230633.db2.gz	SCPJTRDWSYQLTM-HBNTYKKESA-N	0	1	245.282	0.374	20	30		BCEDMN
C=CCOCCCNC(=O)CN1CCCC1	ZINC000824545152	587275477	/nfs/dbraw/zinc/27/54/77/587275477.db2.gz	PFXULTZNUBCMQP-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCOCC1	ZINC000824692876	587283046	/nfs/dbraw/zinc/28/30/46/587283046.db2.gz	KVJZARCXFKCLHJ-ZYHUDNBSSA-N	0	1	238.331	0.481	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687195	587331988	/nfs/dbraw/zinc/33/19/88/587331988.db2.gz	DDDMBGLVPHUWLE-LDYMZIIASA-N	0	1	244.266	0.176	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687195	587331990	/nfs/dbraw/zinc/33/19/90/587331990.db2.gz	DDDMBGLVPHUWLE-LDYMZIIASA-N	0	1	244.266	0.176	20	30		BCEDMN
CSCCCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000826229327	587351835	/nfs/dbraw/zinc/35/18/35/587351835.db2.gz	ZXLNSSQZLXITGM-UHFFFAOYSA-N	0	1	249.303	0.688	20	30		BCEDMN
C=C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1	ZINC000826549266	587354763	/nfs/dbraw/zinc/35/47/63/587354763.db2.gz	DWQFSOXQWQCIHN-UHFFFAOYSA-N	0	1	221.260	0.918	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)C#CC(C)C)n1	ZINC000826700998	587359444	/nfs/dbraw/zinc/35/94/44/587359444.db2.gz	SPRWTWLMNJEJLZ-UHFFFAOYSA-N	0	1	220.276	0.431	20	30		BCEDMN
C[C@H](CC#N)[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000827217763	587373022	/nfs/dbraw/zinc/37/30/22/587373022.db2.gz	JFRUBQGGAHYVRZ-SECBINFHSA-N	0	1	241.291	0.153	20	30		BCEDMN
C[C@H](CC#N)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000827217763	587373023	/nfs/dbraw/zinc/37/30/23/587373023.db2.gz	JFRUBQGGAHYVRZ-SECBINFHSA-N	0	1	241.291	0.153	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC)CC2)nc1	ZINC000827262364	587374383	/nfs/dbraw/zinc/37/43/83/587374383.db2.gz	VFKAWLCOWDNBJB-UHFFFAOYSA-N	0	1	216.288	0.600	20	30		BCEDMN
C#C[C@@H](NCc1cnnn1CC)C1CCOCC1	ZINC000827554218	587387467	/nfs/dbraw/zinc/38/74/67/587387467.db2.gz	AZBPXTSOSZWFMS-CYBMUJFWSA-N	0	1	248.330	0.816	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC)[C@@H](C)C2)nc1	ZINC000827807495	587403514	/nfs/dbraw/zinc/40/35/14/587403514.db2.gz	APPNGHSHQREFDW-NSHDSACASA-N	0	1	230.315	0.988	20	30		BCEDMN
C#C[C@@H](NCc1c[nH]nn1)[C@H]1CCCO1	ZINC000828954661	587475376	/nfs/dbraw/zinc/47/53/76/587475376.db2.gz	WBJTTYHNIALWOB-NXEZZACHSA-N	0	1	206.249	0.075	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COCC(F)F	ZINC000860473457	589101862	/nfs/dbraw/zinc/10/18/62/589101862.db2.gz	YDOQGBCGQVCDHJ-ZETCQYMHSA-N	0	1	248.229	0.502	20	30		BCEDMN
N#Cc1cnccc1COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000829277995	587490764	/nfs/dbraw/zinc/49/07/64/587490764.db2.gz	DUTLSEJFFWDPTM-NXEZZACHSA-N	0	1	247.210	0.662	20	30		BCEDMN
C#CC(=O)N(C)CCN1CC2(C1)CCOCC2	ZINC000829287880	587491340	/nfs/dbraw/zinc/49/13/40/587491340.db2.gz	YDLTVRLCCKKRKG-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
CC[N@@H+](CCO)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829714088	587511135	/nfs/dbraw/zinc/51/11/35/587511135.db2.gz	ZAZYZTQZHGZQTK-LBPRGKRZSA-N	0	1	248.282	0.998	20	30		BCEDMN
C#CC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000829811009	587518831	/nfs/dbraw/zinc/51/88/31/587518831.db2.gz	XTOZGIJFMUIETQ-SECBINFHSA-N	0	1	220.276	0.746	20	30		BCEDMN
N#CC1(C(=O)N2CCC(N)=N2)CCCC1	ZINC000829814371	587518972	/nfs/dbraw/zinc/51/89/72/587518972.db2.gz	HRBHRFGVOOCDSR-UHFFFAOYSA-N	0	1	206.249	0.217	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCC(=O)C2CC2)C1	ZINC000829992519	587531497	/nfs/dbraw/zinc/53/14/97/587531497.db2.gz	YDIWVJIUVZVHHG-GFCCVEGCSA-N	0	1	222.288	0.706	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2C[C@H]2OC)CC1	ZINC000830168040	587540284	/nfs/dbraw/zinc/54/02/84/587540284.db2.gz	CUJBITVFIIWMIT-VXGBXAGGSA-N	0	1	236.315	0.235	20	30		BCEDMN
C#CC1CCN(CC(=O)N(C)OC)CC1	ZINC000830345868	587546680	/nfs/dbraw/zinc/54/66/80/587546680.db2.gz	XBBZAOPGDJNZJH-UHFFFAOYSA-N	0	1	210.277	0.351	20	30		BCEDMN
N#CCOc1ccc(Cn2nnnc2CN)cc1	ZINC000830463054	587551952	/nfs/dbraw/zinc/55/19/52/587551952.db2.gz	GIJPNGYOCHZLLA-UHFFFAOYSA-N	0	1	244.258	0.082	20	30		BCEDMN
N#CCSCCC[NH+]1CCN(C(=O)[O-])CC1	ZINC000831109462	587586504	/nfs/dbraw/zinc/58/65/04/587586504.db2.gz	JXCHNNMEFDKGOZ-UHFFFAOYSA-N	0	1	243.332	0.929	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2CCCc3n[nH]nc32)=NO1	ZINC000831399557	587603473	/nfs/dbraw/zinc/60/34/73/587603473.db2.gz	OESYARXAKNBZNP-RQJHMYQMSA-N	0	1	249.274	0.463	20	30		BCEDMN
C=C(C)CN(C)C(=O)C1=NC(=O)N(C)C1	ZINC000831800796	587632220	/nfs/dbraw/zinc/63/22/20/587632220.db2.gz	XOOMCUVHZANPBK-UHFFFAOYSA-N	0	1	209.249	0.774	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCCCOC	ZINC000831982051	587641106	/nfs/dbraw/zinc/64/11/06/587641106.db2.gz	ROEPXTZMHSRQSY-ZJUUUORDSA-N	0	1	229.276	0.662	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@](C)(C#N)C2)=NC1=O	ZINC000832064327	587644295	/nfs/dbraw/zinc/64/42/95/587644295.db2.gz	HRTNGEAYBUUJNF-GFCCVEGCSA-N	0	1	248.286	0.892	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000832425715	587659357	/nfs/dbraw/zinc/65/93/57/587659357.db2.gz	QMEQBBNYJIMJMR-RKDXNWHRSA-N	0	1	217.272	0.653	20	30		BCEDMN
N#CCCC[N@@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000833066076	587699046	/nfs/dbraw/zinc/69/90/46/587699046.db2.gz	VLAPMDJLNNHPTK-VIFPVBQESA-N	0	1	200.213	0.789	20	30		BCEDMN
C#CCC[N@H+](C)[C@H](COC(C)C)C(=O)[O-]	ZINC000833362320	587707062	/nfs/dbraw/zinc/70/70/62/587707062.db2.gz	LTDKXWGFLDCZIQ-SNVBAGLBSA-N	0	1	213.277	0.820	20	30		BCEDMN
C#CCCC[N@H+](CC(=O)[O-])C1CCOCC1	ZINC000833361628	587707973	/nfs/dbraw/zinc/70/79/73/587707973.db2.gz	DWGNRMYPUOWZEV-UHFFFAOYSA-N	0	1	225.288	0.965	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833369117	587709605	/nfs/dbraw/zinc/70/96/05/587709605.db2.gz	GIOSXBWRDZGNGG-UWVGGRQHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833369355	587709840	/nfs/dbraw/zinc/70/98/40/587709840.db2.gz	SJJGVRWRCIVKRD-VHSXEESVSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833369355	587709842	/nfs/dbraw/zinc/70/98/42/587709842.db2.gz	SJJGVRWRCIVKRD-VHSXEESVSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CC[N@H+](CCC(=O)N(C)CC(=O)[O-])C1CC1	ZINC000833374606	587710720	/nfs/dbraw/zinc/71/07/20/587710720.db2.gz	TZGAJIQXUBIODG-UHFFFAOYSA-N	0	1	240.303	0.570	20	30		BCEDMN
C#CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](CC)C1	ZINC000833787730	587730878	/nfs/dbraw/zinc/73/08/78/587730878.db2.gz	ZAJZPVOBJFLYES-VHSXEESVSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CCC[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787646	587732175	/nfs/dbraw/zinc/73/21/75/587732175.db2.gz	WOPQWCHURDYUHI-VHSXEESVSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#CCC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787646	587732176	/nfs/dbraw/zinc/73/21/76/587732176.db2.gz	WOPQWCHURDYUHI-VHSXEESVSA-N	0	1	226.276	0.367	20	30		BCEDMN
CC(C[C@@H](C)NC(=O)[O-])=NN1CC[NH+](C)CC1	ZINC000833802092	587732784	/nfs/dbraw/zinc/73/27/84/587732784.db2.gz	OESIZNZOTUALKV-SECBINFHSA-N	0	1	242.323	0.656	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)Cc1n[nH]c(C)n1	ZINC000834381295	587753815	/nfs/dbraw/zinc/75/38/15/587753815.db2.gz	KRVYXYBTCAUCAP-QMMMGPOBSA-N	0	1	206.249	0.184	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(F)c1	ZINC000834479217	587756043	/nfs/dbraw/zinc/75/60/43/587756043.db2.gz	BFAVLCOLWGCAEZ-BXKDBHETSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC1(C)C(C(=O)N[C@H]2CNC[C@@H]2C#N)C1(C)C	ZINC000834479402	587756200	/nfs/dbraw/zinc/75/62/00/587756200.db2.gz	DJOKJFQDLNTATD-IUCAKERBSA-N	0	1	235.331	0.896	20	30		BCEDMN
CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)O1	ZINC000834480043	587756202	/nfs/dbraw/zinc/75/62/02/587756202.db2.gz	KMXKGHAGDCVRTO-GWOFURMSSA-N	0	1	237.303	0.172	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC12CCOCC2	ZINC000834480086	587756301	/nfs/dbraw/zinc/75/63/01/587756301.db2.gz	KWSHNPABNHTRRG-MXWKQRLJSA-N	0	1	249.314	0.031	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCC(F)(F)F	ZINC000834480775	587756393	/nfs/dbraw/zinc/75/63/93/587756393.db2.gz	VZGBZZFUJCIUHS-NKWVEPMBSA-N	0	1	235.209	0.557	20	30		BCEDMN
CC(C)n1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)n1	ZINC000834488945	587756525	/nfs/dbraw/zinc/75/65/25/587756525.db2.gz	HWOHOMLTPLYIQN-MWLCHTKSSA-N	0	1	247.302	0.305	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1N	ZINC000834485122	587756637	/nfs/dbraw/zinc/75/66/37/587756637.db2.gz	RYDCECDVEJYNNH-PWSUYJOCSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(N)cc1	ZINC000834484719	587756697	/nfs/dbraw/zinc/75/66/97/587756697.db2.gz	MDGNCQFXWOQYPF-MWLCHTKSSA-N	0	1	230.271	0.110	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccc(N)cc1	ZINC000834485095	587756752	/nfs/dbraw/zinc/75/67/52/587756752.db2.gz	RRYUKSOIMNOLNS-ZYHUDNBSSA-N	0	1	244.298	0.039	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)ccc1F	ZINC000834485314	587756763	/nfs/dbraw/zinc/75/67/63/587756763.db2.gz	VEMMNDNXJLDFLT-ZYHUDNBSSA-N	0	1	247.273	0.976	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C(C)(C)C	ZINC000834488741	587756798	/nfs/dbraw/zinc/75/67/98/587756798.db2.gz	GIJZMYQTAFVURO-OPRDCNLKSA-N	0	1	223.320	0.896	20	30		BCEDMN
CCc1cccnc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834485016	587756868	/nfs/dbraw/zinc/75/68/68/587756868.db2.gz	QXIIXJKFNQNCHG-GHMZBOCLSA-N	0	1	244.298	0.485	20	30		BCEDMN
CSCCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834490470	587756959	/nfs/dbraw/zinc/75/69/59/587756959.db2.gz	VIUFPFJYBDUARO-NXEZZACHSA-N	0	1	241.360	0.747	20	30		BCEDMN
CC(C)c1ocnc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834489179	587756977	/nfs/dbraw/zinc/75/69/77/587756977.db2.gz	KHGCUHKMATYWTH-BDAKNGLRSA-N	0	1	248.286	0.639	20	30		BCEDMN
CCCCOCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834490995	587757084	/nfs/dbraw/zinc/75/70/84/587757084.db2.gz	ZEDTVSDJDPMGCA-ZJUUUORDSA-N	0	1	225.292	0.031	20	30		BCEDMN
CC(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)o1	ZINC000834499494	587757388	/nfs/dbraw/zinc/75/73/88/587757388.db2.gz	IVBZCAXDZRHOII-RKDXNWHRSA-N	0	1	247.254	0.324	20	30		BCEDMN
CCn1nc(C)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834494519	587757499	/nfs/dbraw/zinc/75/74/99/587757499.db2.gz	NRPQIPNIHBBYFC-VHSXEESVSA-N	0	1	247.302	0.053	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834495518	587757553	/nfs/dbraw/zinc/75/75/53/587757553.db2.gz	WKNDFMDFZQZQEH-OUAUKWLOSA-N	0	1	237.303	0.195	20	30		BCEDMN
C[C@@H]1CC/C(=C\C(=O)N[C@@H]2CNC[C@@H]2C#N)C1	ZINC000834500543	587757766	/nfs/dbraw/zinc/75/77/66/587757766.db2.gz	UKPCOKMICOVSJD-YFPKHOIMSA-N	0	1	233.315	0.961	20	30		BCEDMN
CCCn1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cn1	ZINC000834500128	587757768	/nfs/dbraw/zinc/75/77/68/587757768.db2.gz	QLGMAIRDNADRPV-GXSJLCMTSA-N	0	1	247.302	0.134	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)COc1ccccc1	ZINC000834505374	587757778	/nfs/dbraw/zinc/75/77/78/587757778.db2.gz	KDSXSAZJSSUTHB-ZYHUDNBSSA-N	0	1	245.282	0.293	20	30		BCEDMN
CO[C@H](C)CCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834500337	587757794	/nfs/dbraw/zinc/75/77/94/587757794.db2.gz	SENPHXQEOLARSK-KXUCPTDWSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)o1	ZINC000834504647	587757851	/nfs/dbraw/zinc/75/78/51/587757851.db2.gz	DKQUNSDJKJDQFG-RKDXNWHRSA-N	0	1	219.244	0.429	20	30		BCEDMN
CC(C)OCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834500660	587757988	/nfs/dbraw/zinc/75/79/88/587757988.db2.gz	VRJXDXXQYYCTNX-QWRGUYRKSA-N	0	1	239.319	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccccc1	ZINC000834506279	587757995	/nfs/dbraw/zinc/75/79/95/587757995.db2.gz	RMIDSDUKFMEQNP-WDEREUQCSA-N	0	1	215.256	0.528	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1cccc(F)c1	ZINC000834506961	587758118	/nfs/dbraw/zinc/75/81/18/587758118.db2.gz	WSQUIQKAGBNUBT-CMPLNLGQSA-N	0	1	247.273	0.596	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1cccs1	ZINC000834512137	587758125	/nfs/dbraw/zinc/75/81/25/587758125.db2.gz	SCWJPWHHCQUHBG-GXSJLCMTSA-N	0	1	249.339	0.908	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)n1C	ZINC000834511550	587758184	/nfs/dbraw/zinc/75/81/84/587758184.db2.gz	MFKZJDFDIHHQFD-ZJUUUORDSA-N	0	1	232.287	0.175	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CC2(CCC2)C1	ZINC000834506224	587758192	/nfs/dbraw/zinc/75/81/92/587758192.db2.gz	QXAOTMRHRITZGY-GHMZBOCLSA-N	0	1	233.315	0.794	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)s1	ZINC000834506605	587758254	/nfs/dbraw/zinc/75/82/54/587758254.db2.gz	UMTOOPCIYZVGBN-RKDXNWHRSA-N	0	1	235.312	0.898	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1O	ZINC000834512545	587758572	/nfs/dbraw/zinc/75/85/72/587758572.db2.gz	YMNLORPSNIHOQD-ONGXEEELSA-N	0	1	245.282	0.542	20	30		BCEDMN
Cc1ccc(F)cc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834517114	587758615	/nfs/dbraw/zinc/75/86/15/587758615.db2.gz	QJJXWDOBIUYJHQ-SKDRFNHKSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)n[nH]1	ZINC000834515781	587758672	/nfs/dbraw/zinc/75/86/72/587758672.db2.gz	BQTADDMMMCWOIF-GZMMTYOYSA-N	0	1	245.286	0.128	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000834552267	587759375	/nfs/dbraw/zinc/75/93/75/587759375.db2.gz	HKLWTOGRRLNFCG-UWVGGRQHSA-N	0	1	231.299	0.995	20	30		BCEDMN
C#CCn1cc(CNC(=O)[C@H](C)N(C)C)cn1	ZINC000834609966	587760819	/nfs/dbraw/zinc/76/08/19/587760819.db2.gz	RISWLGRGTMTPTC-JTQLQIEISA-N	0	1	234.303	0.083	20	30		BCEDMN
C=CCONC(=O)Cc1ccc(OC)cn1	ZINC000837047873	587850953	/nfs/dbraw/zinc/85/09/53/587850953.db2.gz	HAJACFQBVSMZOI-UHFFFAOYSA-N	0	1	222.244	0.867	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1	ZINC000840580397	587912157	/nfs/dbraw/zinc/91/21/57/587912157.db2.gz	UBAKZAAZMFSNPL-YUMQZZPRSA-N	0	1	237.259	0.756	20	30		BCEDMN
Cc1cccc(NC(=O)N[C@H]2CNC[C@H]2C#N)n1	ZINC000841182352	587948381	/nfs/dbraw/zinc/94/83/81/587948381.db2.gz	KYEPMQIBBQYBEB-ZJUUUORDSA-N	0	1	245.286	0.623	20	30		BCEDMN
CC(C)c1cccc2c1NC(=O)C2=NNC(=N)N	ZINC000841617996	587959910	/nfs/dbraw/zinc/95/99/10/587959910.db2.gz	BEWLFRNJTGROIG-UHFFFAOYSA-N	0	1	245.286	0.949	20	30		BCEDMN
C[C@H](O)CN(C)N=C1CCN2CCC[C@H]12	ZINC000841649334	587966876	/nfs/dbraw/zinc/96/68/76/587966876.db2.gz	GIKVFOBXEGKOHQ-GXSJLCMTSA-N	0	1	211.309	0.523	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccc2c(c1)OCCO2	ZINC000841660700	587969791	/nfs/dbraw/zinc/96/97/91/587969791.db2.gz	GQRLWXLKMIHFMD-UHFFFAOYSA-N	0	1	246.270	0.341	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)c(C)o1	ZINC000841661269	587969986	/nfs/dbraw/zinc/96/99/86/587969986.db2.gz	NLNABSYKRKQYFY-UHFFFAOYSA-N	0	1	206.249	0.779	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(C#N)cc1	ZINC000841660764	587970384	/nfs/dbraw/zinc/97/03/84/587970384.db2.gz	HPDLRCGVGNPMRN-UHFFFAOYSA-N	0	1	227.271	0.831	20	30		BCEDMN
COc1ccccc1C(C)=NNC1=NCCN1	ZINC000841663472	587970907	/nfs/dbraw/zinc/97/09/07/587970907.db2.gz	ZAFBXBBRXOATMA-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(O)cc1	ZINC000841662887	587970919	/nfs/dbraw/zinc/97/09/19/587970919.db2.gz	TYCCQWYFJZQQJX-UHFFFAOYSA-N	0	1	218.260	0.665	20	30		BCEDMN
Cc1cc(C)c(C=NNC2=NCCN2)[nH]1	ZINC000841662570	587971019	/nfs/dbraw/zinc/97/10/19/587971019.db2.gz	YNSZPGLCDRXXHL-UHFFFAOYSA-N	0	1	205.265	0.514	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CNc1ccccc1	ZINC000841849810	587977971	/nfs/dbraw/zinc/97/79/71/587977971.db2.gz	LPMADVFHERPEDP-ZYHUDNBSSA-N	0	1	244.298	0.326	20	30		BCEDMN
C=CCNC(=O)N1C[C@H](C)N(CCO)C[C@H]1C	ZINC000842170824	588006003	/nfs/dbraw/zinc/00/60/03/588006003.db2.gz	CVTLSROURIUCQD-WDEREUQCSA-N	0	1	241.335	0.269	20	30		BCEDMN
CC[C@@H](CC#N)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842342860	588019693	/nfs/dbraw/zinc/01/96/93/588019693.db2.gz	OWQWFAIAGWZJKY-XLPZGREQSA-N	0	1	212.205	0.887	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cc2n(n1)CCCC2	ZINC000842536018	588035710	/nfs/dbraw/zinc/03/57/10/588035710.db2.gz	MCEQSORTPRVDOM-UHFFFAOYSA-N	0	1	246.318	0.492	20	30		BCEDMN
C#CCOCCc1nc(C2(N)CCC2)no1	ZINC000842617940	588046129	/nfs/dbraw/zinc/04/61/29/588046129.db2.gz	PCCVXFAOWVYQKF-UHFFFAOYSA-N	0	1	221.260	0.600	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)C1(F)CC1	ZINC000842684687	588052395	/nfs/dbraw/zinc/05/23/95/588052395.db2.gz	IPUTTYQQGRGULI-ZETCQYMHSA-N	0	1	210.208	0.476	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1(COC)CC1	ZINC000842688494	588052702	/nfs/dbraw/zinc/05/27/02/588052702.db2.gz	PDSMAWUTKPUJGA-QMMMGPOBSA-N	0	1	224.260	0.258	20	30		BCEDMN
C#CC1CCN([C@H]2CC(=O)N(C3CC3)C2=O)CC1	ZINC000843269718	588096711	/nfs/dbraw/zinc/09/67/11/588096711.db2.gz	QPCSOWLAVULLKM-LBPRGKRZSA-N	0	1	246.310	0.622	20	30		BCEDMN
C=C[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2	ZINC000843440830	588110121	/nfs/dbraw/zinc/11/01/21/588110121.db2.gz	GTRVDYTZPTWSSX-SSDOTTSWSA-N	0	1	220.276	0.360	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1(C(F)F)CC1	ZINC000843461704	588112257	/nfs/dbraw/zinc/11/22/57/588112257.db2.gz	WHDYCANUYPUPPM-BQBZGAKWSA-N	0	1	229.230	0.259	20	30		BCEDMN
Cc1[nH]ccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000843461519	588112487	/nfs/dbraw/zinc/11/24/87/588112487.db2.gz	VEWJFFOBILECKB-SCZZXKLOSA-N	0	1	218.260	0.165	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/c1cccs1	ZINC000843463779	588113069	/nfs/dbraw/zinc/11/30/69/588113069.db2.gz	XWEUCMSGXQZRQP-IDFWJGBYSA-N	0	1	247.323	0.989	20	30		BCEDMN
C#CCNC(=O)CN1CCC([C@@H](C)CO)CC1	ZINC000844415777	588191302	/nfs/dbraw/zinc/19/13/02/588191302.db2.gz	GPPYSTJJWSLFEO-NSHDSACASA-N	0	1	238.331	0.076	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000867363199	588213081	/nfs/dbraw/zinc/21/30/81/588213081.db2.gz	MDWMDJPZYIERIH-ZYHUDNBSSA-N	0	1	248.286	0.595	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@H](C)c1nnc[nH]1	ZINC000845623651	588237623	/nfs/dbraw/zinc/23/76/23/588237623.db2.gz	JLJZZUZPKZUZLN-NKWVEPMBSA-N	0	1	225.252	0.671	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H](O)COCC(C)C	ZINC000846264999	588263459	/nfs/dbraw/zinc/26/34/59/588263459.db2.gz	WHSSAXZSGYRQLC-LLVKDONJSA-N	0	1	245.319	0.593	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)C1CN(C(C)=O)C1	ZINC000846556033	588277264	/nfs/dbraw/zinc/27/72/64/588277264.db2.gz	XESIDCUPCJPFPA-SSDOTTSWSA-N	0	1	212.249	0.087	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000846676336	588282150	/nfs/dbraw/zinc/28/21/50/588282150.db2.gz	CRVYPBRFPVBNRG-NNYUYHANSA-N	0	1	233.315	0.650	20	30		BCEDMN
C=CCCn1cc(CN2CCN(C)[C@@H](C)C2)nn1	ZINC000846838260	588292114	/nfs/dbraw/zinc/29/21/14/588292114.db2.gz	YGKPSICXTOSHMR-LBPRGKRZSA-N	0	1	249.362	0.990	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN(OC)CC1	ZINC000846977489	588299965	/nfs/dbraw/zinc/29/99/65/588299965.db2.gz	RSUHXSBPKVAYFT-LLVKDONJSA-N	0	1	214.309	0.493	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCOC1=O	ZINC000846993468	588300787	/nfs/dbraw/zinc/30/07/87/588300787.db2.gz	NLPCKZHFJORWDT-SECBINFHSA-N	0	1	211.265	0.720	20	30		BCEDMN
C#C[C@@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1	ZINC000847019368	588301776	/nfs/dbraw/zinc/30/17/76/588301776.db2.gz	PJXUZLPURAHROS-NEPJUHHUSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000847024886	588303487	/nfs/dbraw/zinc/30/34/87/588303487.db2.gz	UGTPEIOGPHMWSJ-NSHDSACASA-N	0	1	219.288	0.361	20	30		BCEDMN
CC(C)(C)C#CC(=O)NCCCc1nc[nH]n1	ZINC000847025780	588303682	/nfs/dbraw/zinc/30/36/82/588303682.db2.gz	DSWHVQYHGVVZDH-UHFFFAOYSA-N	0	1	234.303	0.903	20	30		BCEDMN
C#C[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC)C1	ZINC000847025038	588303832	/nfs/dbraw/zinc/30/38/32/588303832.db2.gz	BDEUFQDMBPYQPY-NXEZZACHSA-N	0	1	237.303	0.176	20	30		BCEDMN
C#C[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC)C1	ZINC000847025046	588303946	/nfs/dbraw/zinc/30/39/46/588303946.db2.gz	BDEUFQDMBPYQPY-VHSXEESVSA-N	0	1	237.303	0.176	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000847760294	588329446	/nfs/dbraw/zinc/32/94/46/588329446.db2.gz	HXPBQENKACKLMA-DTWKUNHWSA-N	0	1	205.261	0.726	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000848035543	588348933	/nfs/dbraw/zinc/34/89/33/588348933.db2.gz	XVKWTPQLETWREP-CMPLNLGQSA-N	0	1	249.314	0.479	20	30		BCEDMN
C[C@@H](CO)NN=C1CCCN2CCCC[C@@H]12	ZINC000848406559	588378460	/nfs/dbraw/zinc/37/84/60/588378460.db2.gz	GYXSJODRYYYUIH-JQWIXIFHSA-N	0	1	225.336	0.961	20	30		BCEDMN
C#CC[C@H]1CCC[N@H+](CCOCC(=O)[O-])C1	ZINC000849344158	588473763	/nfs/dbraw/zinc/47/37/63/588473763.db2.gz	CMYDRLKHLWWHQJ-NSHDSACASA-N	0	1	225.288	0.823	20	30		BCEDMN
C=C[C@@H](O)C(=O)O[C@@H](C)c1n[nH]c(CC)n1	ZINC000849782713	588498183	/nfs/dbraw/zinc/49/81/83/588498183.db2.gz	DSTDAALXESXBSP-NKWVEPMBSA-N	0	1	225.248	0.518	20	30		BCEDMN
C#Cc1ccc(CN[C@H]2CCNC2=O)cc1	ZINC000850344108	588537993	/nfs/dbraw/zinc/53/79/93/588537993.db2.gz	XBVYTVIZCJYABE-LBPRGKRZSA-N	0	1	214.268	0.646	20	30		BCEDMN
C#CCOc1ccc(CN[C@H]2CCNC2=O)cc1	ZINC000850344087	588538268	/nfs/dbraw/zinc/53/82/68/588538268.db2.gz	WOVHGLRRNHOOSF-ZDUSSCGKSA-N	0	1	244.294	0.677	20	30		BCEDMN
C=CCOCCCNCc1cnn(CC)n1	ZINC000850377479	588541688	/nfs/dbraw/zinc/54/16/88/588541688.db2.gz	DSKMWZAFMQNZAJ-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
N#CC(C(=O)CCCF)C(=O)NC1CC1	ZINC000850759353	588565897	/nfs/dbraw/zinc/56/58/97/588565897.db2.gz	OSHFNXSPYCCNSV-MRVPVSSYSA-N	0	1	212.224	0.724	20	30		BCEDMN
C#CCOCCN1CCCN(C(C)=O)CC1	ZINC000851710410	588615332	/nfs/dbraw/zinc/61/53/32/588615332.db2.gz	LQHBXSOEPCHJBP-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
C#CCOCCN1CCSC[C@H]1CO	ZINC000851883329	588639284	/nfs/dbraw/zinc/63/92/84/588639284.db2.gz	FAOSTTJNURPKKK-SNVBAGLBSA-N	0	1	215.318	0.046	20	30		BCEDMN
C#C[C@H](NC[C@@H](O)c1ccccn1)[C@H]1CCCO1	ZINC000851949598	588647213	/nfs/dbraw/zinc/64/72/13/588647213.db2.gz	GPOBDZODDTVJPW-IACUBPJLSA-N	0	1	246.310	0.885	20	30		BCEDMN
C#CCOCCN[C@H](c1nncn1C)C(C)C	ZINC000852040079	588657023	/nfs/dbraw/zinc/65/70/23/588657023.db2.gz	QIYSIJIAWVRRPX-NSHDSACASA-N	0	1	236.319	0.752	20	30		BCEDMN
CC#CCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852094449	588661218	/nfs/dbraw/zinc/66/12/18/588661218.db2.gz	LNOBDADMAGAMJR-AWEZNQCLSA-N	0	1	246.310	0.315	20	30		BCEDMN
C#CCOCCN1CC[C@H]2COC(=O)N[C@@H]2C1	ZINC000852209044	588672221	/nfs/dbraw/zinc/67/22/21/588672221.db2.gz	MXDCKPGYETXLBG-WDEREUQCSA-N	0	1	238.287	0.067	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852261402	588674688	/nfs/dbraw/zinc/67/46/88/588674688.db2.gz	ADRAWIQJCDBGAH-MRVPVSSYSA-N	0	1	206.249	0.573	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CCC2=C(CCC(=O)N2)C1	ZINC000852298285	588677325	/nfs/dbraw/zinc/67/73/25/588677325.db2.gz	XWHXFEBTEDCWST-GFCCVEGCSA-N	0	1	236.315	0.793	20	30		BCEDMN
C=CC[N@H+](CCC(=O)N(C)OC)[C@@H](C)COC	ZINC000852356443	588679675	/nfs/dbraw/zinc/67/96/75/588679675.db2.gz	FDKXCSVRCXPLOG-NSHDSACASA-N	0	1	244.335	0.919	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852591340	588692486	/nfs/dbraw/zinc/69/24/86/588692486.db2.gz	MIEAAKIBSREFTQ-WOPDTQHZSA-N	0	1	238.331	0.624	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CC1=CCSC1	ZINC000852747315	588699295	/nfs/dbraw/zinc/69/92/95/588699295.db2.gz	DSRANAXDUCAWKF-JTQLQIEISA-N	0	1	238.356	0.729	20	30		BCEDMN
CO[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C1CCC1	ZINC000852827095	588705949	/nfs/dbraw/zinc/70/59/49/588705949.db2.gz	BINACFSNFLRUOL-DCAQKATOSA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(F)s1	ZINC000852827055	588706162	/nfs/dbraw/zinc/70/61/62/588706162.db2.gz	AOKGZXSFKFQWDG-NKWVEPMBSA-N	0	1	239.275	0.729	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000852827582	588706264	/nfs/dbraw/zinc/70/62/64/588706264.db2.gz	LKRQYRAIFAAHSE-UNQZSWDGSA-N	0	1	219.288	0.260	20	30		BCEDMN
Cc1ccncc1CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852828248	588706382	/nfs/dbraw/zinc/70/63/82/588706382.db2.gz	WIBOBFDXGGQSMD-NWDGAFQWSA-N	0	1	244.298	0.160	20	30		BCEDMN
CC(C)[C@@H]1CNCCN1C(=O)NCCC#N	ZINC000861628320	589171063	/nfs/dbraw/zinc/17/10/63/589171063.db2.gz	OGVANIJYHZTAQI-JTQLQIEISA-N	0	1	224.308	0.539	20	30		BCEDMN
C#CC[C@H]1CCN(Cc2cn(C)nn2)C1	ZINC000862445194	589214660	/nfs/dbraw/zinc/21/46/60/589214660.db2.gz	NYARVEICLWNWDF-JTQLQIEISA-N	0	1	204.277	0.660	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1	ZINC000862573204	589224813	/nfs/dbraw/zinc/22/48/13/589224813.db2.gz	UVRJHNKXYSBMFN-SECBINFHSA-N	0	1	218.260	0.599	20	30		BCEDMN
CC(C)(O)CNN=C1CCN2CCC[C@@H]12	ZINC000863138761	589262568	/nfs/dbraw/zinc/26/25/68/589262568.db2.gz	SXDUTIJKNPUNMW-JTQLQIEISA-N	0	1	211.309	0.571	20	30		BCEDMN
O=c1ccn(N=C2CCN3CCC[C@H]23)c(=O)[nH]1	ZINC000863184833	589269469	/nfs/dbraw/zinc/26/94/69/589269469.db2.gz	LJIQBMPPBBGXQY-SECBINFHSA-N	0	1	234.259	0.021	20	30		BCEDMN
COCC(COC)NN=C1CCN2CCC[C@H]12	ZINC000863195430	589270612	/nfs/dbraw/zinc/27/06/12/589270612.db2.gz	ZACCEPRUIUQMOX-GFCCVEGCSA-N	0	1	241.335	0.462	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN1C	ZINC000863786524	589318296	/nfs/dbraw/zinc/31/82/96/589318296.db2.gz	CBOPKIJCXMAKEJ-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)CN1CC[C@@H](C)C1	ZINC000863804429	589320115	/nfs/dbraw/zinc/32/01/15/589320115.db2.gz	FSABDBNBCBCKGO-NEPJUHHUSA-N	0	1	238.331	0.483	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)n1ncc(C#N)c1N	ZINC000863861135	589323941	/nfs/dbraw/zinc/32/39/41/589323941.db2.gz	SYPKETPNMHIWHJ-SSDOTTSWSA-N	0	1	244.258	0.579	20	30		BCEDMN
Cc1cc(=O)nc(NN=C2CN3CCC2CC3)[nH]1	ZINC000864346154	589354711	/nfs/dbraw/zinc/35/47/11/589354711.db2.gz	PCQOYKZEXRVCJQ-UHFFFAOYSA-N	0	1	247.302	0.984	20	30		BCEDMN
CN(C(=O)[C@H](O)c1c[nH]cn1)C1(C#N)CCC1	ZINC000864994436	589403718	/nfs/dbraw/zinc/40/37/18/589403718.db2.gz	NFCQKAFPIBBMCI-SECBINFHSA-N	0	1	234.259	0.348	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2coc(C#N)c2)C1	ZINC000865183195	589413385	/nfs/dbraw/zinc/41/33/85/589413385.db2.gz	AXUJTDGBQHHCPB-SNVBAGLBSA-N	0	1	233.271	0.975	20	30		BCEDMN
Cc1cc(CNC(=O)[C@@]2(C#N)CCCOC2)n[nH]1	ZINC000865851441	589464882	/nfs/dbraw/zinc/46/48/82/589464882.db2.gz	NEJUWEJAQWCGIU-GFCCVEGCSA-N	0	1	248.286	0.655	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000865974358	589470775	/nfs/dbraw/zinc/47/07/75/589470775.db2.gz	RRRHZEDRMNNCFG-SNVBAGLBSA-N	0	1	223.276	0.868	20	30		BCEDMN
C#CCN(C(=O)Cc1ncn[nH]1)C1CCCC1	ZINC000866510979	589498643	/nfs/dbraw/zinc/49/86/43/589498643.db2.gz	LWMZQCHYONFHOE-UHFFFAOYSA-N	0	1	232.287	0.752	20	30		BCEDMN
C#CCCCCNC(=O)Cc1nnc[nH]1	ZINC000866548063	589500362	/nfs/dbraw/zinc/50/03/62/589500362.db2.gz	JIDYNAJYXOJWEN-UHFFFAOYSA-N	0	1	206.249	0.267	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCCO1	ZINC000121999787	589547324	/nfs/dbraw/zinc/54/73/24/589547324.db2.gz	RTGOPVZEONDHFB-UWVGGRQHSA-N	0	1	238.287	0.789	20	30		BCEDMN
C=CCN(CCC#N)C(=O)[C@H](O)c1c[nH]cn1	ZINC000868512539	589561553	/nfs/dbraw/zinc/56/15/53/589561553.db2.gz	UPDDGLIRFUEXAB-SNVBAGLBSA-N	0	1	234.259	0.371	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000868513315	589561951	/nfs/dbraw/zinc/56/19/51/589561951.db2.gz	DFPHLPABOWDAES-VXGBXAGGSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869073063	589585876	/nfs/dbraw/zinc/58/58/76/589585876.db2.gz	AQFPVYFVMYMFIP-JTQLQIEISA-N	0	1	232.287	0.609	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCc1c[nH]nn1	ZINC000869153358	589590507	/nfs/dbraw/zinc/59/05/07/589590507.db2.gz	BTKUJZFAQUWNHE-ZETCQYMHSA-N	0	1	210.237	0.360	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCc1cnn[nH]1	ZINC000869153358	589590508	/nfs/dbraw/zinc/59/05/08/589590508.db2.gz	BTKUJZFAQUWNHE-ZETCQYMHSA-N	0	1	210.237	0.360	20	30		BCEDMN
C=C[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(=O)OC	ZINC000870532538	589671988	/nfs/dbraw/zinc/67/19/88/589671988.db2.gz	WTGUTMRBNMDZON-ZJUUUORDSA-N	0	1	243.303	0.843	20	30		BCEDMN
N#Cc1cccc(ONC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1	ZINC000870692146	589684607	/nfs/dbraw/zinc/68/46/07/589684607.db2.gz	YYSXVBAKEHWYDR-GDNZZTSVSA-N	0	1	244.250	0.861	20	30		BCEDMN
N#CC(C(=O)CN1CCOCC1)c1ccccn1	ZINC000123825723	589825361	/nfs/dbraw/zinc/82/53/61/589825361.db2.gz	XBSCELIBYQELAL-NSHDSACASA-N	0	1	245.282	0.590	20	30		BCEDMN
C#CCn1[nH]c(C[C@@H]2CCCO2)cc1=O	ZINC000871961793	589846122	/nfs/dbraw/zinc/84/61/22/589846122.db2.gz	PSWNADLMHJHXGT-JTQLQIEISA-N	0	1	206.245	0.777	20	30		BCEDMN
CC(C)(O)C[C@H](O)CN1CC(CC#N)C1	ZINC000871983237	589852955	/nfs/dbraw/zinc/85/29/55/589852955.db2.gz	XZTQWRVPKRYPJL-JTQLQIEISA-N	0	1	212.293	0.354	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)CC(C)(C)O	ZINC000872200493	589890353	/nfs/dbraw/zinc/89/03/53/589890353.db2.gz	IQXLBKNSLDTGRG-RKDXNWHRSA-N	0	1	200.282	0.258	20	30		BCEDMN
CC(C)(O)C[C@@H](O)CNCC1(C#N)CCC1	ZINC000872209943	589894282	/nfs/dbraw/zinc/89/42/82/589894282.db2.gz	BSGCZHPVQIOPES-SNVBAGLBSA-N	0	1	226.320	0.792	20	30		BCEDMN
COC(=O)C1CC(NC[C@H](C#N)CCC#N)C1	ZINC000872227620	589897913	/nfs/dbraw/zinc/89/79/13/589897913.db2.gz	OQNBFBGBBCQZDY-WHXUTIOJSA-N	0	1	235.287	0.971	20	30		BCEDMN
CC#CCN1CCNC(=O)CC12CCOCC2	ZINC000872285207	589906012	/nfs/dbraw/zinc/90/60/12/589906012.db2.gz	YYTLOKRNRDHQNM-UHFFFAOYSA-N	0	1	236.315	0.381	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@]12CCC[C@H]1OCC2	ZINC000872288014	589906456	/nfs/dbraw/zinc/90/64/56/589906456.db2.gz	RVCSKMPSOILKGM-XZUYRWCXSA-N	0	1	249.314	0.173	20	30		BCEDMN
C[C@H]1C(N=Nc2nccn2C)CCN1C	ZINC000872370060	589923206	/nfs/dbraw/zinc/92/32/06/589923206.db2.gz	SCGHYAJMBIAGSJ-QMMMGPOBSA-N	0	1	207.281	0.912	20	30		BCEDMN
CCOC(=O)c1ccc(C=NNC2=NCCN2)[nH]1	ZINC000872385978	589930002	/nfs/dbraw/zinc/93/00/02/589930002.db2.gz	WISFWXWUZUPMCR-UHFFFAOYSA-N	0	1	249.274	0.074	20	30		BCEDMN
COc1nscc1C=NNC1=NCCN1	ZINC000872386009	589930009	/nfs/dbraw/zinc/93/00/09/589930009.db2.gz	XJZXIWILOWKDQX-UHFFFAOYSA-N	0	1	225.277	0.034	20	30		BCEDMN
N#Cc1cnn(C(=O)c2[nH]nc3c2CCC3)c1N	ZINC000124101584	589941301	/nfs/dbraw/zinc/94/13/01/589941301.db2.gz	NHNGUHYTHYHLMD-UHFFFAOYSA-N	0	1	242.242	0.237	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@H](C)CCSC	ZINC000124821442	590091300	/nfs/dbraw/zinc/09/13/00/590091300.db2.gz	DOKVVDDSZAMBGC-SNVBAGLBSA-N	0	1	228.361	0.809	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)CN1CCCC1	ZINC000874261595	590100215	/nfs/dbraw/zinc/10/02/15/590100215.db2.gz	VCWKDVSRYOMHOK-LLVKDONJSA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876801762	590243126	/nfs/dbraw/zinc/24/31/26/590243126.db2.gz	ILNMVORKBXZSIE-HRRXFJGFSA-N	0	1	233.315	0.506	20	30		BCEDMN
CCO[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C1CC1	ZINC000876801817	590243329	/nfs/dbraw/zinc/24/33/29/590243329.db2.gz	JHUVUOAZBSUYIX-DCAQKATOSA-N	0	1	237.303	0.029	20	30		BCEDMN
Cc1cocc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876801261	590243462	/nfs/dbraw/zinc/24/34/62/590243462.db2.gz	AELPVKAKRINYJP-PSASIEDQSA-N	0	1	219.244	0.429	20	30		BCEDMN
CNc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000876803020	590243650	/nfs/dbraw/zinc/24/36/50/590243650.db2.gz	UEKMTBFPVQVYJQ-PWSUYJOCSA-N	0	1	244.298	0.570	20	30		BCEDMN
CCC(C)(C)[C@H](O)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876803219	590243673	/nfs/dbraw/zinc/24/36/73/590243673.db2.gz	VMYQDMBQHCQQQZ-KXUCPTDWSA-N	0	1	239.319	0.011	20	30		BCEDMN
CC(C)n1cnc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000876803933	590243778	/nfs/dbraw/zinc/24/37/78/590243778.db2.gz	ZSBBGFXGPKSKSW-NXEZZACHSA-N	0	1	247.302	0.305	20	30		BCEDMN
C#CCNC(=O)[C@H](N)Cc1cccc(OC)c1	ZINC000876943926	590259394	/nfs/dbraw/zinc/25/93/94/590259394.db2.gz	WMWYPVOYUBLRRD-GFCCVEGCSA-N	0	1	232.283	0.314	20	30		BCEDMN
N#Cc1cccc(CNC[C@@H]2COCCO2)n1	ZINC000876951232	590260273	/nfs/dbraw/zinc/26/02/73/590260273.db2.gz	HQECQTZVDPKNRI-GFCCVEGCSA-N	0	1	233.271	0.458	20	30		BCEDMN
CC(C)[C@H]1CNCCN1C(=O)C#CC1CC1	ZINC000876998572	590267585	/nfs/dbraw/zinc/26/75/85/590267585.db2.gz	OQUIRLLXRYSMSB-GFCCVEGCSA-N	0	1	220.316	0.856	20	30		BCEDMN
CO[C@H](CNCCC#N)C1CCOCC1	ZINC000877484231	590337681	/nfs/dbraw/zinc/33/76/81/590337681.db2.gz	YQXKUAUQXIAYQB-LLVKDONJSA-N	0	1	212.293	0.931	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@@H](C)[C@H](O)C1	ZINC000878335344	590549114	/nfs/dbraw/zinc/54/91/14/590549114.db2.gz	LIODUKGYKMXAMC-OPRDCNLKSA-N	0	1	213.277	0.417	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCN(C)[C@H](C)C1	ZINC000878317828	590544233	/nfs/dbraw/zinc/54/42/33/590544233.db2.gz	WLCPCWJXVOZRJI-MNOVXSKESA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@@H](C(=O)NC)C1	ZINC000878721159	590615675	/nfs/dbraw/zinc/61/56/75/590615675.db2.gz	UHHZGQIWXOGKRL-ZJUUUORDSA-N	0	1	240.303	0.172	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H](C(=O)NC)C1	ZINC000878721156	590616048	/nfs/dbraw/zinc/61/60/48/590616048.db2.gz	UHHZGQIWXOGKRL-NXEZZACHSA-N	0	1	240.303	0.172	20	30		BCEDMN
C#CCN(C[C@@H](O)COC)C1CSC1	ZINC000878909622	590644870	/nfs/dbraw/zinc/64/48/70/590644870.db2.gz	HKWHAZBUWGSGOZ-SNVBAGLBSA-N	0	1	215.318	0.044	20	30		BCEDMN
C#CCN(CCCNC(C)=O)C1CSC1	ZINC000878911672	590648691	/nfs/dbraw/zinc/64/86/91/590648691.db2.gz	QHDYSJRNAOHKLF-UHFFFAOYSA-N	0	1	226.345	0.563	20	30		BCEDMN
C#CCN(C[C@@H](COC)OC)C1CSC1	ZINC000878909787	590647588	/nfs/dbraw/zinc/64/75/88/590647588.db2.gz	BVEPAFFJDUYNOX-NSHDSACASA-N	0	1	229.345	0.698	20	30		BCEDMN
C#CCN(C[C@H](O)CCOCC)C1CSC1	ZINC000878910384	590647660	/nfs/dbraw/zinc/64/76/60/590647660.db2.gz	UBRNTJPNIWRRFP-GFCCVEGCSA-N	0	1	243.372	0.825	20	30		BCEDMN
C#CCN(C[C@@H](O)C1CC1)C1CSC1	ZINC000878910539	590647975	/nfs/dbraw/zinc/64/79/75/590647975.db2.gz	PHJBOLQXRJFJFK-LLVKDONJSA-N	0	1	211.330	0.808	20	30		BCEDMN
C[C@@H]1CCCCN1CC(N)=NOCCCO	ZINC000127402045	590652228	/nfs/dbraw/zinc/65/22/28/590652228.db2.gz	PKFICGSTPZCICY-SNVBAGLBSA-N	0	1	229.324	0.532	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1	ZINC000878945837	590657045	/nfs/dbraw/zinc/65/70/45/590657045.db2.gz	QXDYAEJYGVFXMD-SECBINFHSA-N	0	1	220.276	0.855	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(C#N)o1	ZINC000878980800	590667970	/nfs/dbraw/zinc/66/79/70/590667970.db2.gz	FMXJMPWHQUKSSW-CABZTGNLSA-N	0	1	236.271	0.469	20	30		BCEDMN
C#CCCN(CCOC)CCN(C#N)CC	ZINC000878998675	590674737	/nfs/dbraw/zinc/67/47/37/590674737.db2.gz	UNFWLLTVTIEBEB-UHFFFAOYSA-N	0	1	223.320	0.761	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](OC)CC[C@H]1C	ZINC000879317801	590736438	/nfs/dbraw/zinc/73/64/38/590736438.db2.gz	HVWJEINJNWFRJS-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCN1CCCC[C@H]1CNC(=O)NC	ZINC000879335693	590749950	/nfs/dbraw/zinc/74/99/50/590749950.db2.gz	VXJUHNYTEJAHAX-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C#CCN1CCCC[C@@H]1CNC(=O)NC	ZINC000879335694	590749978	/nfs/dbraw/zinc/74/99/78/590749978.db2.gz	VXJUHNYTEJAHAX-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
CN(CCc1cccc(C#N)c1)[C@H]1CCNC1=O	ZINC000879433742	590768215	/nfs/dbraw/zinc/76/82/15/590768215.db2.gz	CWYIKOYPNVXQSM-ZDUSSCGKSA-N	0	1	243.310	0.921	20	30		BCEDMN
CC#CCN(CC1CC1)[C@@H](C(N)=O)C1CC1	ZINC000879486995	590781314	/nfs/dbraw/zinc/78/13/14/590781314.db2.gz	SRQUVSYBCZKUGN-GFCCVEGCSA-N	0	1	220.316	0.986	20	30		BCEDMN
C=CCCCN1CCC[C@H]2OCCNC(=O)[C@H]21	ZINC000879719861	590855611	/nfs/dbraw/zinc/85/56/11/590855611.db2.gz	VBRHYESYNJIIID-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCCCN1CCC[C@@H]2OCCNC(=O)[C@@H]21	ZINC000879719862	590855826	/nfs/dbraw/zinc/85/58/26/590855826.db2.gz	VBRHYESYNJIIID-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#CCO	ZINC000879880675	590886212	/nfs/dbraw/zinc/88/62/12/590886212.db2.gz	PSOUCNWWJFQUDM-SKDRFNHKSA-N	0	1	247.298	0.188	20	30		BCEDMN
CC(C)C[C@@H](C(N)=O)N(C)CCO[C@H](C)C#N	ZINC000880589704	591101149	/nfs/dbraw/zinc/10/11/49/591101149.db2.gz	FDUZOTGQXCYFRH-MNOVXSKESA-N	0	1	241.335	0.747	20	30		BCEDMN
C#CCNC(=O)Nc1cc(CN(C)C)ccn1	ZINC000880596046	591105411	/nfs/dbraw/zinc/10/54/11/591105411.db2.gz	YNCDIDRHVRNVNG-UHFFFAOYSA-N	0	1	232.287	0.898	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C	ZINC000880756997	591139322	/nfs/dbraw/zinc/13/93/22/591139322.db2.gz	FEDAAFZNFHAXRN-LNLATYFQSA-N	0	1	249.314	0.739	20	30		BCEDMN
C=C[C@](C)(O)c1cn([C@@H](C)c2nnc(C)[nH]2)nn1	ZINC000881383921	591199378	/nfs/dbraw/zinc/19/93/78/591199378.db2.gz	RIKDRJRPRUQGPE-CPCISQLKSA-N	0	1	248.290	0.707	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1	ZINC000881938873	591280588	/nfs/dbraw/zinc/28/05/88/591280588.db2.gz	ZXSVYXIBBJAQKG-SECBINFHSA-N	0	1	235.262	0.772	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@@H]2CCCCN2C)C1	ZINC000881944674	591282488	/nfs/dbraw/zinc/28/24/88/591282488.db2.gz	YYBBEAFASVEVGI-JTQLQIEISA-N	0	1	224.279	0.654	20	30		BCEDMN
Cc1nc(C#N)cc(NOCC(C)(C)O)n1	ZINC000882273375	591323826	/nfs/dbraw/zinc/32/38/26/591323826.db2.gz	MNIHFSUVBZRYJF-UHFFFAOYSA-N	0	1	222.248	0.771	20	30		BCEDMN
C#Cc1ccc(C(=O)NC[C@H]2CCN2CC)cn1	ZINC000882486322	591360884	/nfs/dbraw/zinc/36/08/84/591360884.db2.gz	QCWPJIUAVPHDEF-CYBMUJFWSA-N	0	1	243.310	0.887	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1CC	ZINC000882492785	591371043	/nfs/dbraw/zinc/37/10/43/591371043.db2.gz	WHRZIPNNLAEEJC-PWSUYJOCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NC[C@@H]1CCN1CC	ZINC000882492551	591373239	/nfs/dbraw/zinc/37/32/39/591373239.db2.gz	AIEZMOAGGKFLLN-ONGXEEELSA-N	0	1	212.293	0.134	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1CC	ZINC000882492681	591373252	/nfs/dbraw/zinc/37/32/52/591373252.db2.gz	BSYSXXJDCVCXSG-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)CC1(C#N)CC1	ZINC000882493990	591374710	/nfs/dbraw/zinc/37/47/10/591374710.db2.gz	MJTNGKOSXJJVCC-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CC1(NC(=O)CCc2c[nH]nn2)CCCC1	ZINC000882532617	591384327	/nfs/dbraw/zinc/38/43/27/591384327.db2.gz	RSAMIHGDWIZYBJ-UHFFFAOYSA-N	0	1	232.287	0.800	20	30		BCEDMN
C#CC1(NC(=O)CCc2cnn[nH]2)CCCC1	ZINC000882532617	591384331	/nfs/dbraw/zinc/38/43/31/591384331.db2.gz	RSAMIHGDWIZYBJ-UHFFFAOYSA-N	0	1	232.287	0.800	20	30		BCEDMN
C#CCCOC(=O)NC[C@H]1CCN1CC	ZINC000882763962	591428903	/nfs/dbraw/zinc/42/89/03/591428903.db2.gz	FXRSRBPRVUGQOD-SNVBAGLBSA-N	0	1	210.277	0.830	20	30		BCEDMN
C#CC[C@@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000882767572	591434905	/nfs/dbraw/zinc/43/49/05/591434905.db2.gz	SJJZCCNQTLWWJX-SECBINFHSA-N	0	1	239.300	0.444	20	30		BCEDMN
CCN1CC[C@H]1CNc1c(C#N)cnn1C	ZINC000882958624	591483734	/nfs/dbraw/zinc/48/37/34/591483734.db2.gz	GDPOVQAZIPTMIU-JTQLQIEISA-N	0	1	219.292	0.798	20	30		BCEDMN
CCN1CC[C@@H]1CNc1c(C#N)cnn1C	ZINC000882958625	591484074	/nfs/dbraw/zinc/48/40/74/591484074.db2.gz	GDPOVQAZIPTMIU-SNVBAGLBSA-N	0	1	219.292	0.798	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(C)nn1	ZINC000883125292	591544211	/nfs/dbraw/zinc/54/42/11/591544211.db2.gz	DTZVRDOSXFOPQS-NSHDSACASA-N	0	1	205.261	0.259	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccncc1F	ZINC000883125659	591544970	/nfs/dbraw/zinc/54/49/70/591544970.db2.gz	PZQIZFQWWXRFHL-JTQLQIEISA-N	0	1	208.236	0.695	20	30		BCEDMN
C=CC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000883409212	591650974	/nfs/dbraw/zinc/65/09/74/591650974.db2.gz	RKVTZVMBFGQXCI-HOSYDEDBSA-N	0	1	225.288	0.984	20	30		BCEDMN
CC#CCNC(=O)NC[C@H]1CCN1CC	ZINC000883541883	591689531	/nfs/dbraw/zinc/68/95/31/591689531.db2.gz	VDOUXPYQUNVZQB-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
CC#CCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883625947	591705929	/nfs/dbraw/zinc/70/59/29/591705929.db2.gz	MSTVYBZZKSGDIF-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C=CCONC(=O)NC[C@@H]1CCN1CC	ZINC000883733104	591729417	/nfs/dbraw/zinc/72/94/17/591729417.db2.gz	JWLMOIWVLAFRDM-VIFPVBQESA-N	0	1	213.281	0.497	20	30		BCEDMN
C=CCNC(=O)NCc1nc(CSC)n[nH]1	ZINC000884006923	591794445	/nfs/dbraw/zinc/79/44/45/591794445.db2.gz	ITPNCNUHARZGGL-UHFFFAOYSA-N	0	1	241.320	0.653	20	30		BCEDMN
C=CCNC(=O)NCc1nnc(CSC)[nH]1	ZINC000884006923	591794447	/nfs/dbraw/zinc/79/44/47/591794447.db2.gz	ITPNCNUHARZGGL-UHFFFAOYSA-N	0	1	241.320	0.653	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)nc1	ZINC000884249972	591883909	/nfs/dbraw/zinc/88/39/09/591883909.db2.gz	VEWSSCMCVQDUEI-MWLCHTKSSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1coc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000884250734	591884169	/nfs/dbraw/zinc/88/41/69/591884169.db2.gz	MOCXWDOBFXACPM-DTWKUNHWSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1cnc(F)cc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000884249841	591884249	/nfs/dbraw/zinc/88/42/49/591884249.db2.gz	SAPZQZJEXUEPHY-WPRPVWTQSA-N	0	1	248.261	0.371	20	30		BCEDMN
COC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCC1	ZINC000884250958	591884293	/nfs/dbraw/zinc/88/42/93/591884293.db2.gz	SJKDQRJNHBRUGW-VHSXEESVSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000884250274	591884299	/nfs/dbraw/zinc/88/42/99/591884299.db2.gz	ATRCBUFGEDUDLH-FIQHERPVSA-N	0	1	233.315	0.650	20	30		BCEDMN
C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1	ZINC000884436552	591934016	/nfs/dbraw/zinc/93/40/16/591934016.db2.gz	IHMKQANDEKITNQ-SNVBAGLBSA-N	0	1	226.320	0.693	20	30		BCEDMN
Cc1[nH]nc(C=NNC2=NC[C@H](C)N2)c1C	ZINC000884447939	591937275	/nfs/dbraw/zinc/93/72/75/591937275.db2.gz	NNASGIOMGCCLEM-LURJTMIESA-N	0	1	220.280	0.298	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2ncnn2CC)C1	ZINC000886209959	592176845	/nfs/dbraw/zinc/17/68/45/592176845.db2.gz	ZJZAWFAIMMCAAG-GFCCVEGCSA-N	0	1	247.346	0.485	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2ncnn2C)C1	ZINC000886209366	592176977	/nfs/dbraw/zinc/17/69/77/592176977.db2.gz	KVVOTBKFQXFRGK-NSHDSACASA-N	0	1	233.319	0.002	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2ncc[nH]2)C1	ZINC000886213100	592177881	/nfs/dbraw/zinc/17/78/81/592177881.db2.gz	MCBLPXQLPFCISU-LLVKDONJSA-N	0	1	218.304	0.597	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]2C1	ZINC000886329623	592210376	/nfs/dbraw/zinc/21/03/76/592210376.db2.gz	GYJFNBLDIXHPOW-BBBLOLIVSA-N	0	1	237.303	0.338	20	30		BCEDMN
C=CCC[C@H](C)NCc1nnc2c(=O)[nH]ccn12	ZINC000886704822	592309008	/nfs/dbraw/zinc/30/90/08/592309008.db2.gz	QKFYKFNLGURXNE-VIFPVBQESA-N	0	1	247.302	0.862	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000220394650	592309016	/nfs/dbraw/zinc/30/90/16/592309016.db2.gz	MJIWUJYASZJVBM-RKDXNWHRSA-N	0	1	228.292	0.330	20	30		BCEDMN
C#CCNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000220561878	592318200	/nfs/dbraw/zinc/31/82/00/592318200.db2.gz	AIDKNFGSFCQUFX-QMMMGPOBSA-N	0	1	203.245	0.264	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1	ZINC000886832155	592353550	/nfs/dbraw/zinc/35/35/50/592353550.db2.gz	BSYGRYISZBAQBM-MNOVXSKESA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCCS(=O)(=O)NCc1cc(N)ccn1	ZINC000886893478	592389127	/nfs/dbraw/zinc/38/91/27/592389127.db2.gz	XIRBFDPLPQYSPI-UHFFFAOYSA-N	0	1	241.316	0.659	20	30		BCEDMN
C[C@@]1(C#N)CN(C(=O)c2ccn[nH]2)CCO1	ZINC000887671250	592539266	/nfs/dbraw/zinc/53/92/66/592539266.db2.gz	QIPSUCALQPADDU-SNVBAGLBSA-N	0	1	220.232	0.164	20	30		BCEDMN
C=CCCC(=O)N1CCN(C)CCN(C)CC1	ZINC000888992394	592576273	/nfs/dbraw/zinc/57/62/73/592576273.db2.gz	JPMJBSSMLHYFSU-UHFFFAOYSA-N	0	1	239.363	0.658	20	30		BCEDMN
C#CCSCC(=O)N(C)[C@@H]1CCCN(C)C1	ZINC000889207108	592589060	/nfs/dbraw/zinc/58/90/60/592589060.db2.gz	SKOYGQHOEJEDJQ-LLVKDONJSA-N	0	1	240.372	0.905	20	30		BCEDMN
Cc1nc(CNC(=O)C2(C#N)CC3(CC3)C2)n[nH]1	ZINC000889698461	592645938	/nfs/dbraw/zinc/64/59/38/592645938.db2.gz	QOZICCOONDBLPD-UHFFFAOYSA-N	0	1	245.286	0.813	20	30		BCEDMN
C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccnc(C#N)c1	ZINC000082668663	597366143	/nfs/dbraw/zinc/36/61/43/597366143.db2.gz	RBTHONQATPXTNQ-QMMMGPOBSA-N	0	1	219.244	0.858	20	30		BCEDMN
COCC#CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1	ZINC000694808609	597507369	/nfs/dbraw/zinc/50/73/69/597507369.db2.gz	HWTYNAWYJNHRQI-NSHDSACASA-N	0	1	225.288	0.823	20	30		BCEDMN
CC(=O)NCC[N@H+](CCCC#N)[C@H](C)C(=O)[O-]	ZINC000819770272	597677349	/nfs/dbraw/zinc/67/73/49/597677349.db2.gz	MXDUXSWVXLWCEA-SECBINFHSA-N	0	1	241.291	0.201	20	30		BCEDMN
C#CC[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000071741891	599991438	/nfs/dbraw/zinc/99/14/38/599991438.db2.gz	OXTVBVZHQMFIBW-JTQLQIEISA-N	0	1	211.261	0.575	20	30		BCEDMN
C=C(C)C[N@@H+](CCOC)CCC(=O)[O-]	ZINC000071740441	600640142	/nfs/dbraw/zinc/64/01/42/600640142.db2.gz	PPNUWIZYJHRGEP-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C=CC[N@@H+](CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000309689239	601338010	/nfs/dbraw/zinc/33/80/10/601338010.db2.gz	PCIKSIUWPXLHRA-VIFPVBQESA-N	0	1	247.316	0.136	20	30		BCEDMN
C=CC[N@H+](CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000309689239	601338011	/nfs/dbraw/zinc/33/80/11/601338011.db2.gz	PCIKSIUWPXLHRA-VIFPVBQESA-N	0	1	247.316	0.136	20	30		BCEDMN
N#CCCC[N@@H+]1CC[C@H](CNC(=O)[O-])C1	ZINC000740308318	601954339	/nfs/dbraw/zinc/95/43/39/601954339.db2.gz	XMYNSNKUPNWOOU-SECBINFHSA-N	0	1	211.265	0.880	20	30		BCEDMN
C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000080992565	605848702	/nfs/dbraw/zinc/84/87/02/605848702.db2.gz	KUDZDZVQBZRXEF-SNVBAGLBSA-N	0	1	238.287	0.065	20	30		BCEDMN
C#CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000080992565	605848703	/nfs/dbraw/zinc/84/87/03/605848703.db2.gz	KUDZDZVQBZRXEF-SNVBAGLBSA-N	0	1	238.287	0.065	20	30		BCEDMN
N#CC1(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)CC1	ZINC000833964698	606002578	/nfs/dbraw/zinc/00/25/78/606002578.db2.gz	NOECIKQZNHDNHB-VIFPVBQESA-N	0	1	223.276	0.880	20	30		BCEDMN
CC(C)[C@H]1CN(C(=O)NCCC#N)CCN1C	ZINC000336106687	634595217	/nfs/dbraw/zinc/59/52/17/634595217.db2.gz	CPIPQRUVRIUMCU-LLVKDONJSA-N	0	1	238.335	0.882	20	30		BCEDMN
C#CCCN1CCC[C@H](NC(=O)C(F)F)C1	ZINC001006513582	635372938	/nfs/dbraw/zinc/37/29/38/635372938.db2.gz	NHDAXWJOOWMNHI-VIFPVBQESA-N	0	1	230.258	0.855	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ncccn1	ZINC001028216974	635495370	/nfs/dbraw/zinc/49/53/70/635495370.db2.gz	OBOYVZRXIHIBSB-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cnon1	ZINC001028215762	635493120	/nfs/dbraw/zinc/49/31/20/635493120.db2.gz	XTKIIFKUQGYOLK-SECBINFHSA-N	0	1	236.275	0.450	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2nnn(C)c2C)C1	ZINC001010413856	635611300	/nfs/dbraw/zinc/61/13/00/635611300.db2.gz	VYFHYGYFBAWIBG-JTQLQIEISA-N	0	1	249.318	0.114	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccns2)C1	ZINC000971622735	631350795	/nfs/dbraw/zinc/35/07/95/631350795.db2.gz	XXERPQXYXMOUJQ-SNVBAGLBSA-N	0	1	249.339	0.923	20	30		BCEDMN
CCc1nc(CN2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000933606373	631456658	/nfs/dbraw/zinc/45/66/58/631456658.db2.gz	XSPSZVWLJSUHMG-LLVKDONJSA-N	0	1	235.291	0.482	20	30		BCEDMN
N#Cc1ccc([C@@H](O)CN2CC[C@H]2CO)cc1	ZINC000934024758	631600120	/nfs/dbraw/zinc/60/01/20/631600120.db2.gz	GKBCVDGKLDAYMB-STQMWFEESA-N	0	1	232.283	0.658	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1[nH]cnc1C	ZINC001028352809	635654281	/nfs/dbraw/zinc/65/42/81/635654281.db2.gz	MUFYHFIUGCAZRA-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1[nH]cnc1C	ZINC001028352810	635654407	/nfs/dbraw/zinc/65/44/07/635654407.db2.gz	MUFYHFIUGCAZRA-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CC[C@@H]1OC	ZINC000934129855	631705900	/nfs/dbraw/zinc/70/59/00/631705900.db2.gz	WJCMYOZZURKJSZ-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C[C@H]1CSCCCN1CC(=O)NCCC#N	ZINC000934303155	631773592	/nfs/dbraw/zinc/77/35/92/631773592.db2.gz	KYMNNIXFJSNXQL-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C#CCONC(=O)c1c(O)cccc1F	ZINC000308986143	631781456	/nfs/dbraw/zinc/78/14/56/631781456.db2.gz	LYHCWEIUFJVLNG-UHFFFAOYSA-N	0	1	209.176	0.826	20	30		BCEDMN
C#C[C@H](N[C@H](CC)C(N)=O)[C@H]1CCCO1	ZINC000309067857	631830043	/nfs/dbraw/zinc/83/00/43/631830043.db2.gz	AJWKBGQLCJACFN-IVZWLZJFSA-N	0	1	210.277	0.021	20	30		BCEDMN
C=CC[C@H]1CCN1[C@@H](C)C(=O)NCC(=O)OC	ZINC000934465209	631861826	/nfs/dbraw/zinc/86/18/26/631861826.db2.gz	LAHAKEAPVHUCKW-UWVGGRQHSA-N	0	1	240.303	0.315	20	30		BCEDMN
C=CCCN1CCO[C@]2(CCN(C(C)=O)C2)C1	ZINC000972199393	631865713	/nfs/dbraw/zinc/86/57/13/631865713.db2.gz	AUOWDPIATVXMAU-CYBMUJFWSA-N	0	1	238.331	0.886	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@H]1CC=C	ZINC000934472414	631867022	/nfs/dbraw/zinc/86/70/22/631867022.db2.gz	OADRTSUWRFGIJW-WDEREUQCSA-N	0	1	206.289	0.775	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1	ZINC000972296380	631919605	/nfs/dbraw/zinc/91/96/05/631919605.db2.gz	MLZJOLAQWUMNCL-LLVKDONJSA-N	0	1	238.306	0.902	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@H+]2CCC[C@H]12)C(=O)[O-]	ZINC000309349819	632005183	/nfs/dbraw/zinc/00/51/83/632005183.db2.gz	MPDXSUHFLBKGCR-PSASIEDQSA-N	0	1	225.292	0.663	20	30		BCEDMN
C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1	ZINC001028532243	635722588	/nfs/dbraw/zinc/72/25/88/635722588.db2.gz	QKHFNWHSFCLTCM-JTQLQIEISA-N	0	1	232.287	0.095	20	30		BCEDMN
CCC(CC)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000309499257	632416540	/nfs/dbraw/zinc/41/65/40/632416540.db2.gz	LAVBWPCDLWFFBR-NXEZZACHSA-N	0	1	209.293	0.650	20	30		BCEDMN
O=C(NO)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000782169617	632476752	/nfs/dbraw/zinc/47/67/52/632476752.db2.gz	NSVAYMAVXQEDRJ-NSHDSACASA-N	0	1	235.287	0.799	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccco2)C1	ZINC000972593720	632499017	/nfs/dbraw/zinc/49/90/17/632499017.db2.gz	SBINTYMSVNQYGO-GFCCVEGCSA-N	0	1	246.310	0.988	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@@H]2COCCO2)c1	ZINC000176834984	632550518	/nfs/dbraw/zinc/55/05/18/632550518.db2.gz	ABWSPNMOORZCBA-NSHDSACASA-N	0	1	248.238	0.618	20	30		BCEDMN
C#C[C@@H](NCC(OC)OC)[C@H]1CCCO1	ZINC000308969479	632599292	/nfs/dbraw/zinc/59/92/92/632599292.db2.gz	YESNRVIBKCKLEF-NXEZZACHSA-N	0	1	213.277	0.376	20	30		BCEDMN
C#CCCN1CCN(C(=O)Cc2ccn[nH]2)CC1	ZINC000266642940	632607231	/nfs/dbraw/zinc/60/72/31/632607231.db2.gz	YJSHSPSHGNSMFY-UHFFFAOYSA-N	0	1	246.314	0.120	20	30		BCEDMN
CC#CCNC1(CO)COC(C)(C)OC1	ZINC000309005310	632613963	/nfs/dbraw/zinc/61/39/63/632613963.db2.gz	POAOWAVVNNAAKG-UHFFFAOYSA-N	0	1	213.277	0.113	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc([C@H](C)O)s1	ZINC000309136236	632645063	/nfs/dbraw/zinc/64/50/63/632645063.db2.gz	SBTCEKUWKGXHEQ-JGVFFNPUSA-N	0	1	228.317	0.833	20	30		BCEDMN
CN1CCN(N=Cc2cccnc2N)CC1	ZINC000309281755	632883327	/nfs/dbraw/zinc/88/33/27/632883327.db2.gz	NLNCZQZRRZXCFV-UHFFFAOYSA-N	0	1	219.292	0.245	20	30		BCEDMN
C#CCCc1noc(Cc2nnc[nH]2)n1	ZINC000923881935	633062241	/nfs/dbraw/zinc/06/22/41/633062241.db2.gz	CRCQBOPRFUNRLL-UHFFFAOYSA-N	0	1	203.205	0.344	20	30		BCEDMN
C#C[C@@H](NCc1n[nH]c(C)n1)[C@H]1CCCO1	ZINC000309723799	633232823	/nfs/dbraw/zinc/23/28/23/633232823.db2.gz	XBKVNTNXYRDWIE-NXEZZACHSA-N	0	1	220.276	0.384	20	30		BCEDMN
C#Cc1ccc(CNCC(=O)N(C)OC)cc1	ZINC000895042290	636019214	/nfs/dbraw/zinc/01/92/14/636019214.db2.gz	DZRIDADSYKNFCZ-UHFFFAOYSA-N	0	1	232.283	0.777	20	30		BCEDMN
Cc1onc(CC(=O)NC[C@H]2CCN2C)c1C#N	ZINC000928553261	636088297	/nfs/dbraw/zinc/08/82/97/636088297.db2.gz	CKKAOZULNPRTSD-SECBINFHSA-N	0	1	248.286	0.218	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000909515544	636136037	/nfs/dbraw/zinc/13/60/37/636136037.db2.gz	XSUGVRVPVWHJOG-JTQLQIEISA-N	0	1	240.303	0.427	20	30		BCEDMN
CC#CCN(C)C[C@@H]1C[C@H]2COC[C@H]2O1	ZINC000930589782	633913677	/nfs/dbraw/zinc/91/36/77/633913677.db2.gz	NWGBRJMNCLRFQU-SDDRHHMPSA-N	0	1	209.289	0.745	20	30		BCEDMN
C#CCSCC(=O)O[C@H](C)c1nnc[nH]1	ZINC000893247024	633970675	/nfs/dbraw/zinc/97/06/75/633970675.db2.gz	HVMPSOHXQAVCQP-SSDOTTSWSA-N	0	1	225.273	0.775	20	30		BCEDMN
C#CCSCC(=O)O[C@@H](C)c1nnc[nH]1	ZINC000893247025	633971759	/nfs/dbraw/zinc/97/17/59/633971759.db2.gz	HVMPSOHXQAVCQP-ZETCQYMHSA-N	0	1	225.273	0.775	20	30		BCEDMN
C#C[C@H]1CCCN(C[C@H]2CCCS2(=O)=O)C1	ZINC000930884593	634152305	/nfs/dbraw/zinc/15/23/05/634152305.db2.gz	GEBFUMQPFVUSDX-NWDGAFQWSA-N	0	1	241.356	0.909	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cnccn1	ZINC001027731223	635127873	/nfs/dbraw/zinc/12/78/73/635127873.db2.gz	HQRXQNGEJKOTNN-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCO1	ZINC001027737593	635129165	/nfs/dbraw/zinc/12/91/65/635129165.db2.gz	RZDLPKQINAGLSL-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2cnccn2)C1	ZINC001009968817	635155090	/nfs/dbraw/zinc/15/50/90/635155090.db2.gz	QTWHHLWKQOEUKM-NSHDSACASA-N	0	1	244.298	0.304	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ccn(C)c1	ZINC001027818657	635160670	/nfs/dbraw/zinc/16/06/70/635160670.db2.gz	DACBYAHVSNKSMU-CYBMUJFWSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)C1=CCOCC1	ZINC001027841913	635173768	/nfs/dbraw/zinc/17/37/68/635173768.db2.gz	PKHZLGIBJDXIBH-ZDUSSCGKSA-N	0	1	248.326	0.547	20	30		BCEDMN
C=C(C)CN1CCCN(C(=O)COC)CC1	ZINC000980577224	635237929	/nfs/dbraw/zinc/23/79/29/635237929.db2.gz	LBLWHNUXSVDEMQ-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCCc2n[nH]cc21	ZINC000336724457	635255151	/nfs/dbraw/zinc/25/51/51/635255151.db2.gz	FVWUYGNNRPOUIS-SCZZXKLOSA-N	0	1	207.277	0.924	20	30		BCEDMN
C=CCN1CCCN(C(=O)c2ccn[nH]2)CC1	ZINC000980743349	635264312	/nfs/dbraw/zinc/26/43/12/635264312.db2.gz	KYLFKZNOQFLNAQ-UHFFFAOYSA-N	0	1	234.303	0.744	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@@H]2CCOC2)CC1	ZINC000980800678	635273594	/nfs/dbraw/zinc/27/35/94/635273594.db2.gz	APYYHLLEZGOTND-GFCCVEGCSA-N	0	1	238.331	0.743	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1	ZINC000981670415	635383987	/nfs/dbraw/zinc/38/39/87/635383987.db2.gz	VXCVBDUVHSWFHR-GFCCVEGCSA-N	0	1	245.326	0.704	20	30		BCEDMN
C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C	ZINC000928624916	636216683	/nfs/dbraw/zinc/21/66/83/636216683.db2.gz	JZNQGDDVKYQEOL-RKDXNWHRSA-N	0	1	210.233	0.522	20	30		BCEDMN
C#CCN(C(=O)c1[nH]nnc1C)C(C)C	ZINC000928626233	636220631	/nfs/dbraw/zinc/22/06/31/636220631.db2.gz	VIVICBIAEOTWOL-UHFFFAOYSA-N	0	1	206.249	0.597	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2n[nH]cc2C)CC1	ZINC000928651078	636262697	/nfs/dbraw/zinc/26/26/97/636262697.db2.gz	LYMYOXJXXRIJHN-UHFFFAOYSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cn(C)cn1	ZINC000320703521	636356244	/nfs/dbraw/zinc/35/62/44/636356244.db2.gz	GPNRUHLWMUDUEU-SNVBAGLBSA-N	0	1	209.293	0.837	20	30		BCEDMN
C=C(Cl)CN[C@H]1CCN(C(=O)COC)[C@@H]1C	ZINC000985833460	636424937	/nfs/dbraw/zinc/42/49/37/636424937.db2.gz	RFZJNAAFWXGOGB-ZJUUUORDSA-N	0	1	246.738	0.964	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@H](NCC#N)C[C@@H]2C)[nH]1	ZINC000988364618	636697411	/nfs/dbraw/zinc/69/74/11/636697411.db2.gz	GRNGWFMRMHQWRO-WCBMZHEXSA-N	0	1	247.302	0.434	20	30		BCEDMN
C[C@]1(NCc2ccc(C#N)s2)CCNC1=O	ZINC000897872366	636841812	/nfs/dbraw/zinc/84/18/12/636841812.db2.gz	SVSKGWXAMROPAN-NSHDSACASA-N	0	1	235.312	0.988	20	30		BCEDMN
C#CCNCC(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000082239332	636868695	/nfs/dbraw/zinc/86/86/95/636868695.db2.gz	LKJJZKXOERDESL-PHIMTYICSA-N	0	1	208.305	0.714	20	30		BCEDMN
C#CC[C@H]1C(=O)N(c2nccn2C)N=C1C	ZINC000899355914	637082320	/nfs/dbraw/zinc/08/23/20/637082320.db2.gz	FAVRYYZVOHIRBR-SECBINFHSA-N	0	1	216.244	0.782	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2nccn2C2CC2)N1	ZINC000901214561	637234676	/nfs/dbraw/zinc/23/46/76/637234676.db2.gz	AMOWGUDJRKLUMG-QMMMGPOBSA-N	0	1	232.291	0.489	20	30		BCEDMN
CNC(NCc1c([O-])cccc1F)=[NH+]C	ZINC000905032579	637553310	/nfs/dbraw/zinc/55/33/10/637553310.db2.gz	RKHDCUIDPPISGE-UHFFFAOYSA-N	0	1	211.240	0.826	20	30		BCEDMN
CCn1ncc(/C=C2\C(=O)c3ncnn3C2C)n1	ZINC000905083864	637583565	/nfs/dbraw/zinc/58/35/65/637583565.db2.gz	GRJHVVSZEBOMBF-YHESJLBYSA-N	0	1	244.258	0.730	20	30		BCEDMN
CC1/C(=C/c2cn(C)cn2)C(=O)c2ncnn21	ZINC000905086708	637585632	/nfs/dbraw/zinc/58/56/32/637585632.db2.gz	TYKRPZNABZPUBV-MEVQIBDESA-N	0	1	229.243	0.853	20	30		BCEDMN
N#CCOc1ccc(CNCC[N+](=O)[O-])cc1	ZINC000905087637	637585703	/nfs/dbraw/zinc/58/57/03/637585703.db2.gz	FSDOQABTKBDSRE-UHFFFAOYSA-N	0	1	235.243	0.955	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H](O)C2(O)CCC2)nc1	ZINC000905261739	637715183	/nfs/dbraw/zinc/71/51/83/637715183.db2.gz	JYXZXEDMHIIGHY-GFCCVEGCSA-N	0	1	247.298	0.319	20	30		BCEDMN
Cn1nncc1N=NC1C[C@H]2CCC[N@H+](C1)C2	ZINC000905473427	637817445	/nfs/dbraw/zinc/81/74/45/637817445.db2.gz	JWRCQYYENPWSNA-SECBINFHSA-N	0	1	234.307	0.699	20	30		BCEDMN
Cn1nncc1N=NC1C[C@H]2CCCN(C1)C2	ZINC000905473427	637817446	/nfs/dbraw/zinc/81/74/46/637817446.db2.gz	JWRCQYYENPWSNA-SECBINFHSA-N	0	1	234.307	0.699	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cc(C#N)ccn1	ZINC000905479201	637819421	/nfs/dbraw/zinc/81/94/21/637819421.db2.gz	QMLPXRHSJOIZNB-UHFFFAOYSA-N	0	1	228.259	0.226	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc(C#N)ccn1	ZINC000905460769	637824569	/nfs/dbraw/zinc/82/45/69/637824569.db2.gz	PNEMIKZXBRRQKK-MRVPVSSYSA-N	0	1	242.286	0.615	20	30		BCEDMN
c1nc2n(c1CN=Nc1cncnc1)CCOC2	ZINC000905467633	637828174	/nfs/dbraw/zinc/82/81/74/637828174.db2.gz	SMIHLBMGPUIQFA-UHFFFAOYSA-N	0	1	244.258	0.649	20	30		BCEDMN
N#CC1CCC(Cn2nnnc2CN)CC1	ZINC000905735697	637905295	/nfs/dbraw/zinc/90/52/95/637905295.db2.gz	VFFYCDLERUEKSR-UHFFFAOYSA-N	0	1	220.280	0.462	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc(CNC(C)C)nn1	ZINC000905803866	637932825	/nfs/dbraw/zinc/93/28/25/637932825.db2.gz	VHNVJEGNCHEHOG-NSHDSACASA-N	0	1	224.308	0.886	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc(CNC(C)C)nn1	ZINC000905802463	637933413	/nfs/dbraw/zinc/93/34/13/637933413.db2.gz	HLPWEVDMPRWYNE-SNVBAGLBSA-N	0	1	238.291	0.676	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)C1CCC1	ZINC000129074028	638199720	/nfs/dbraw/zinc/19/97/20/638199720.db2.gz	HEBHUEXDUQUFPQ-VIFPVBQESA-N	0	1	206.245	0.774	20	30		BCEDMN
C=CCCCCNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907445258	638385201	/nfs/dbraw/zinc/38/52/01/638385201.db2.gz	AGBAEZZOMPKBEM-WCQYABFASA-N	0	1	240.347	0.914	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000907713835	638444044	/nfs/dbraw/zinc/44/40/44/638444044.db2.gz	NFSJSGBHJHYDFO-MDZLAQPJSA-N	0	1	238.331	0.360	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907713838	638444283	/nfs/dbraw/zinc/44/42/83/638444283.db2.gz	NFSJSGBHJHYDFO-WZRBSPASSA-N	0	1	238.331	0.360	20	30		BCEDMN
CCOC(=O)[C@H]1CSCN1C(=O)C(C)C#N	ZINC000907898454	638502707	/nfs/dbraw/zinc/50/27/07/638502707.db2.gz	UEDALVQUYKWNEZ-JGVFFNPUSA-N	0	1	242.300	0.611	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000907963956	638525628	/nfs/dbraw/zinc/52/56/28/638525628.db2.gz	YKLRMCCZHYTEMN-GVXVVHGQSA-N	0	1	240.347	0.912	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cnc[nH]1)C(C)C	ZINC000907966037	638528790	/nfs/dbraw/zinc/52/87/90/638528790.db2.gz	KLFLEYWNDYEQNT-SNVBAGLBSA-N	0	1	205.261	0.726	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)C(C)C	ZINC000907965532	638528870	/nfs/dbraw/zinc/52/88/70/638528870.db2.gz	FYXUNVRLIPBGEX-NTZNESFSSA-N	0	1	238.331	0.216	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCN1C(C)(C)C	ZINC000907980173	638533842	/nfs/dbraw/zinc/53/38/42/638533842.db2.gz	RLJDESUYXAPHMW-NSHDSACASA-N	0	1	233.315	0.845	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCc1n[nH]c(C)n1	ZINC000907990148	638539563	/nfs/dbraw/zinc/53/95/63/638539563.db2.gz	FECKAOABAJBLOE-UHFFFAOYSA-N	0	1	230.293	0.109	20	30		BCEDMN
C#C[C@@H]1CCCCN1S(=O)(=O)c1ncc[nH]1	ZINC000908282503	638632769	/nfs/dbraw/zinc/63/27/69/638632769.db2.gz	VIEPJZAFWMJIMB-SECBINFHSA-N	0	1	239.300	0.586	20	30		BCEDMN
C#CCN1CCC(C(=O)NC2CC(=O)C2)CC1	ZINC000908475732	638745644	/nfs/dbraw/zinc/74/56/44/638745644.db2.gz	TVUONHAXKXSAHQ-UHFFFAOYSA-N	0	1	234.299	0.179	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)Cc1cnc[nH]1	ZINC000908528844	638998904	/nfs/dbraw/zinc/99/89/04/638998904.db2.gz	DQVPPRBKNNADFO-NSHDSACASA-N	0	1	205.261	0.870	20	30		BCEDMN
C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000909714145	639207059	/nfs/dbraw/zinc/20/70/59/639207059.db2.gz	UGNVXYQLLXUPDY-ZJUUUORDSA-N	0	1	240.303	0.616	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)C(=O)[O-]	ZINC000911405412	639638959	/nfs/dbraw/zinc/63/89/59/639638959.db2.gz	YZODOQFJZQDOHV-SNVBAGLBSA-N	0	1	240.303	0.169	20	30		BCEDMN
C[C@@H]1CCNC(=O)[C@@H]1NCc1cncc(C#N)c1	ZINC000930323416	639704971	/nfs/dbraw/zinc/70/49/71/639704971.db2.gz	FDAOVCNQXZZLMR-BXKDBHETSA-N	0	1	244.298	0.567	20	30		BCEDMN
C#CCN(Cc1ccccc1)C[C@H](O)[C@@H](C)O	ZINC000930476680	639772632	/nfs/dbraw/zinc/77/26/32/639772632.db2.gz	RYNKPPOGERAIGY-OCCSQVGLSA-N	0	1	233.311	0.864	20	30		BCEDMN
Cc1cnn([C@@H]2CCN(C[C@H](O)CC#N)C2)c1	ZINC000930526606	639802691	/nfs/dbraw/zinc/80/26/91/639802691.db2.gz	QUVOVSRKLMRTKO-VXGBXAGGSA-N	0	1	234.303	0.713	20	30		BCEDMN
CC#CCN(C)C[C@@H]1CCC2(COC2)O1	ZINC000930588284	639814938	/nfs/dbraw/zinc/81/49/38/639814938.db2.gz	GLEQDUDCVAYUNT-NSHDSACASA-N	0	1	209.289	0.890	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000911797096	639819765	/nfs/dbraw/zinc/81/97/65/639819765.db2.gz	RDNTYLBILGCWDE-WCABBAIRSA-N	0	1	212.293	0.132	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)C1(O)CCCC1	ZINC000930693462	639863693	/nfs/dbraw/zinc/86/36/93/639863693.db2.gz	OIRQPCWTCVPLBZ-QWRGUYRKSA-N	0	1	226.320	0.934	20	30		BCEDMN
C=C(C)CONC(=O)C[C@]1(O)CCC[N@H+](C)C1	ZINC000911901679	639863948	/nfs/dbraw/zinc/86/39/48/639863948.db2.gz	LOQKLGNIMJSOJD-GFCCVEGCSA-N	0	1	242.319	0.457	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC(c2ccncn2)CC1	ZINC000930709438	639873586	/nfs/dbraw/zinc/87/35/86/639873586.db2.gz	NBOIGVKNRDFLOK-GFCCVEGCSA-N	0	1	246.314	0.931	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@@H](n2ccnn2)C1	ZINC000930761440	639903117	/nfs/dbraw/zinc/90/31/17/639903117.db2.gz	OOYGXTWFMKSADJ-GHMZBOCLSA-N	0	1	235.291	0.190	20	30		BCEDMN
C#CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1	ZINC000912031378	639921770	/nfs/dbraw/zinc/92/17/70/639921770.db2.gz	UFQZZIOADFTRNF-JTQLQIEISA-N	0	1	208.305	0.808	20	30		BCEDMN
CCOCCOCCN[C@H](C)CC#N	ZINC000930867616	639959644	/nfs/dbraw/zinc/95/96/44/639959644.db2.gz	LEOLNLYZXADZPH-SNVBAGLBSA-N	0	1	200.282	0.931	20	30		BCEDMN
C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1CCC#N	ZINC000930918086	639986499	/nfs/dbraw/zinc/98/64/99/639986499.db2.gz	YCMCVQYACJCFHQ-UTLUCORTSA-N	0	1	209.293	0.874	20	30		BCEDMN
C#CCNCC(=O)NCc1ccccc1OCC	ZINC000912237851	639998289	/nfs/dbraw/zinc/99/82/89/639998289.db2.gz	ROAGLNDBFBFALK-UHFFFAOYSA-N	0	1	246.310	0.924	20	30		BCEDMN
C#CCN(C(=O)c1cnc(C)[nH]1)C1CSC1	ZINC000912369854	640042485	/nfs/dbraw/zinc/04/24/85/640042485.db2.gz	WQXPDCOWMLZPEO-UHFFFAOYSA-N	0	1	235.312	0.909	20	30		BCEDMN
C#CCOCCN1CCC[C@H]1c1nnc[nH]1	ZINC000931140932	640075501	/nfs/dbraw/zinc/07/55/01/640075501.db2.gz	APRFTPPPWHAZAY-JTQLQIEISA-N	0	1	220.276	0.591	20	30		BCEDMN
C#CC1(O)CCN([C@H](C)c2cnccn2)CC1	ZINC000931151118	640078027	/nfs/dbraw/zinc/07/80/27/640078027.db2.gz	NMGIKNCHYDRXIC-LLVKDONJSA-N	0	1	231.299	0.998	20	30		BCEDMN
C#CCOCCN1CCc2c(n(C)[nH]c2=O)C1	ZINC000931193415	640095991	/nfs/dbraw/zinc/09/59/91/640095991.db2.gz	YHIUJRAGSVPBGE-UHFFFAOYSA-N	0	1	235.287	0.134	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCc2c(n(C)[nH]c2=O)C1	ZINC000931194363	640100697	/nfs/dbraw/zinc/10/06/97/640100697.db2.gz	CRTAZOYMQCKAOM-LLVKDONJSA-N	0	1	237.303	0.421	20	30		BCEDMN
C=CCCO[N-]C(=O)C1CN(C)CC[N@@H+](C)C1	ZINC000912627161	640142317	/nfs/dbraw/zinc/14/23/17/640142317.db2.gz	AJTXPVYJJDQVGO-UHFFFAOYSA-N	0	1	241.335	0.104	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C	ZINC000912627446	640143827	/nfs/dbraw/zinc/14/38/27/640143827.db2.gz	DRYDOTIGUPRVRG-GXSJLCMTSA-N	0	1	228.292	0.065	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1cnsn1	ZINC000931394530	640176275	/nfs/dbraw/zinc/17/62/75/640176275.db2.gz	PXRCMIWFWIXGGD-UHFFFAOYSA-N	0	1	239.304	0.225	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(C)[C@@H](CO)C1	ZINC000931403545	640181281	/nfs/dbraw/zinc/18/12/81/640181281.db2.gz	MUZGYVGUMWHUGQ-VXGBXAGGSA-N	0	1	210.321	0.397	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000912903125	640245883	/nfs/dbraw/zinc/24/58/83/640245883.db2.gz	JAAGFRKLYBLSJL-NEPJUHHUSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912903128	640246314	/nfs/dbraw/zinc/24/63/14/640246314.db2.gz	JAAGFRKLYBLSJL-VXGBXAGGSA-N	0	1	236.315	0.331	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912904073	640248207	/nfs/dbraw/zinc/24/82/07/640248207.db2.gz	VPHSPVRKIHFSLH-GHMZBOCLSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCCCN1CCN(c2n[nH]c(C)n2)CC1	ZINC000931627807	640295555	/nfs/dbraw/zinc/29/55/55/640295555.db2.gz	HVSNZSMENFXIHE-UHFFFAOYSA-N	0	1	233.319	0.649	20	30		BCEDMN
CCC#C[C@H](C)[N@H+]1CCC(OC)(OC)[C@@H](O)C1	ZINC000931633529	640295986	/nfs/dbraw/zinc/29/59/86/640295986.db2.gz	GWZBGKYQMVBYDE-RYUDHWBXSA-N	0	1	241.331	0.844	20	30		BCEDMN
CCC#C[C@H](C)N1CCC(OC)(OC)[C@@H](O)C1	ZINC000931633529	640295996	/nfs/dbraw/zinc/29/59/96/640295996.db2.gz	GWZBGKYQMVBYDE-RYUDHWBXSA-N	0	1	241.331	0.844	20	30		BCEDMN
COC1(OC)CC[N@H+]([C@@H](C)CCC#N)C[C@@H]1O	ZINC000931636766	640296392	/nfs/dbraw/zinc/29/63/92/640296392.db2.gz	XLIPQBTYQVXKTM-QWRGUYRKSA-N	0	1	242.319	0.734	20	30		BCEDMN
CO[C@@H](CC(C)C)C(=O)NCC#CCN(C)C	ZINC000913523378	640379585	/nfs/dbraw/zinc/37/95/85/640379585.db2.gz	YBRQBLWDTZJFPA-LBPRGKRZSA-N	0	1	240.347	0.729	20	30		BCEDMN
COc1cccnc1C(=O)NCC#CCN(C)C	ZINC000913524973	640379949	/nfs/dbraw/zinc/37/99/49/640379949.db2.gz	DWTOWHKQIBYAKH-UHFFFAOYSA-N	0	1	247.298	0.385	20	30		BCEDMN
Cc1cnc(F)c(C(=O)NCC#CCN(C)C)c1	ZINC000913525080	640380006	/nfs/dbraw/zinc/38/00/06/640380006.db2.gz	JUEFGDXQYIMSOL-UHFFFAOYSA-N	0	1	249.289	0.824	20	30		BCEDMN
C[C@H]1CO[C@H](C(=O)NCC#CCN(C)C)C1	ZINC000913524872	640380167	/nfs/dbraw/zinc/38/01/67/640380167.db2.gz	AAKKGUNECNIRQX-MNOVXSKESA-N	0	1	224.304	0.093	20	30		BCEDMN
Cc1cnc(F)cc1C(=O)NCC#CCN(C)C	ZINC000913524943	640380236	/nfs/dbraw/zinc/38/02/36/640380236.db2.gz	CUUQLLBEEFSBFJ-UHFFFAOYSA-N	0	1	249.289	0.824	20	30		BCEDMN
CC[C@@H](C)OCC(=O)NCC#CCN(C)C	ZINC000913520117	640381694	/nfs/dbraw/zinc/38/16/94/640381694.db2.gz	DCIVBLLGXZICCC-LLVKDONJSA-N	0	1	226.320	0.483	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)cc(=O)[nH]1	ZINC000913520045	640381984	/nfs/dbraw/zinc/38/19/84/640381984.db2.gz	AOBWQCLQFDSZCN-UHFFFAOYSA-N	0	1	247.298	0.390	20	30		BCEDMN
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CN(C)CC#CCNC(=O)Cc1ccco1	ZINC000913519837	640382612	/nfs/dbraw/zinc/38/26/12/640382612.db2.gz	QNYAMSUBXJKIRH-UHFFFAOYSA-N	0	1	220.272	0.503	20	30		BCEDMN
CN(C)CC#CCNC(=O)/C=C/c1ccc[nH]1	ZINC000913521382	640383226	/nfs/dbraw/zinc/38/32/26/640383226.db2.gz	WWVOYTRWUSMJDY-BQYQJAHWSA-N	0	1	231.299	0.709	20	30		BCEDMN
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CN(C)CC#CCNC(=O)Nc1ccns1	ZINC000932021386	640411289	/nfs/dbraw/zinc/41/12/89/640411289.db2.gz	NMEVKERYFGVMJR-UHFFFAOYSA-N	0	1	238.316	0.830	20	30		BCEDMN
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C=CCN1CC[C@@H](N2CCO[C@H](C)CC2)C1=O	ZINC000932338651	640480224	/nfs/dbraw/zinc/48/02/24/640480224.db2.gz	CTGDVUBCTLPPBK-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
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C=CCN1CC[C@@H](N2CCO[C@@H](C)CC2)C1=O	ZINC000932338649	640482008	/nfs/dbraw/zinc/48/20/08/640482008.db2.gz	CTGDVUBCTLPPBK-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCO[C@@H](C)CC1	ZINC000932348792	640490023	/nfs/dbraw/zinc/49/00/23/640490023.db2.gz	IBTRWBCPHZWKBA-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCNC(=O)CN[C@H](c1ccccn1)C1CC1	ZINC000932375282	640504354	/nfs/dbraw/zinc/50/43/54/640504354.db2.gz	NDXSYJNHJWPWAE-AWEZNQCLSA-N	0	1	243.310	0.872	20	30		BCEDMN
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C[C@H](CC#N)NCCC(=O)N1CCCC1	ZINC000157072992	640570786	/nfs/dbraw/zinc/57/07/86/640570786.db2.gz	YFIDCJDPBLLYKC-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CC1	ZINC000249744985	640578224	/nfs/dbraw/zinc/57/82/24/640578224.db2.gz	ZIDYHIYLULDXAS-KXUCPTDWSA-N	0	1	236.271	0.399	20	30		BCEDMN
C#CCOCCN1C2CCC1(C(N)=O)CC2	ZINC000932933983	640646890	/nfs/dbraw/zinc/64/68/90/640646890.db2.gz	DPQGCCQJGDVWDW-UHFFFAOYSA-N	0	1	222.288	0.119	20	30		BCEDMN
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CC[C@H]1C(=O)NCCCN1CCO[C@@H](C)C#N	ZINC000933231461	640687376	/nfs/dbraw/zinc/68/73/76/640687376.db2.gz	YKOAFUVEIBFTJS-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCC1(N[C@H](C)c2nnnn2C)CCC1	ZINC000933296715	640700512	/nfs/dbraw/zinc/70/05/12/640700512.db2.gz	LSUYTUFAJMHDAC-SECBINFHSA-N	0	1	219.292	0.807	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H](COC)C1	ZINC000226562880	640775633	/nfs/dbraw/zinc/77/56/33/640775633.db2.gz	OCOHMJVOOXKCDR-LLVKDONJSA-N	0	1	224.304	0.094	20	30		BCEDMN
C#CCOCCN1CCO[C@@H]2COCC[C@@H]21	ZINC000933965124	640795876	/nfs/dbraw/zinc/79/58/76/640795876.db2.gz	VHNUSONYQNWFNC-NWDGAFQWSA-N	0	1	225.288	0.126	20	30		BCEDMN
C#CCCN1CC(NC(=O)[C@H]2CCCCN2C)C1	ZINC001030532272	640899511	/nfs/dbraw/zinc/89/95/11/640899511.db2.gz	KJZVXJFFRITFKC-CYBMUJFWSA-N	0	1	249.358	0.294	20	30		BCEDMN
CSCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000171481472	640983382	/nfs/dbraw/zinc/98/33/82/640983382.db2.gz	HFURAZPEMWHYOE-MRVPVSSYSA-N	0	1	226.301	0.727	20	30		BCEDMN
CO[C@H]1CC[C@@H]1N(C)CC(=O)NCCC#N	ZINC000934128305	641085923	/nfs/dbraw/zinc/08/59/23/641085923.db2.gz	RNWYMNNTYNFNHY-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)[C@H]1CC[C@H]1OC	ZINC000934128294	641086556	/nfs/dbraw/zinc/08/65/56/641086556.db2.gz	RGDPDPLJQVQJHT-GARJFASQSA-N	0	1	226.320	0.786	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)[C@H]1CC[C@@H]1OC	ZINC000934128293	641087098	/nfs/dbraw/zinc/08/70/98/641087098.db2.gz	RGDPDPLJQVQJHT-DCAQKATOSA-N	0	1	226.320	0.786	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1cncs1	ZINC000934200595	641092428	/nfs/dbraw/zinc/09/24/28/641092428.db2.gz	MHYWZLJQEXRFCZ-RKDXNWHRSA-N	0	1	237.328	0.932	20	30		BCEDMN
C[C@@H]1CSCCCN1CC(=O)NCC#N	ZINC000934299958	641120542	/nfs/dbraw/zinc/12/05/42/641120542.db2.gz	MUYIPWQDZRXRQV-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@H]1CC=C	ZINC000934473216	641162731	/nfs/dbraw/zinc/16/27/31/641162731.db2.gz	XXMBVBSSEHGRQV-SNVBAGLBSA-N	0	1	237.303	0.649	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NC(=O)NC1CC1	ZINC000934471911	641163323	/nfs/dbraw/zinc/16/33/23/641163323.db2.gz	KUNFUKDEBWLVJH-JTQLQIEISA-N	0	1	237.303	0.625	20	30		BCEDMN
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]1CC=C	ZINC000934473214	641167791	/nfs/dbraw/zinc/16/77/91/641167791.db2.gz	XXMBVBSSEHGRQV-JTQLQIEISA-N	0	1	237.303	0.649	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H]1CC=C	ZINC000934473214	641167799	/nfs/dbraw/zinc/16/77/99/641167799.db2.gz	XXMBVBSSEHGRQV-JTQLQIEISA-N	0	1	237.303	0.649	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1	ZINC000971134056	641184656	/nfs/dbraw/zinc/18/46/56/641184656.db2.gz	GLQRHVSPKYKMOK-LLVKDONJSA-N	0	1	232.287	0.189	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccon2)C1	ZINC000971143484	641191154	/nfs/dbraw/zinc/19/11/54/641191154.db2.gz	VUPSNUCGYVXUSZ-JTQLQIEISA-N	0	1	233.271	0.454	20	30		BCEDMN
C#CCSCCNCc1ncnn1C	ZINC000231946608	641221015	/nfs/dbraw/zinc/22/10/15/641221015.db2.gz	YGKMPKFOKRLZIQ-UHFFFAOYSA-N	0	1	210.306	0.271	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1CCC1	ZINC000173958013	641220877	/nfs/dbraw/zinc/22/08/77/641220877.db2.gz	MPUJNERPPVKVOB-JTQLQIEISA-N	0	1	238.287	0.648	20	30		BCEDMN
C[C@]12CSC[C@H]1CN(CC(=O)NCC#N)C2	ZINC000934775911	641267097	/nfs/dbraw/zinc/26/70/97/641267097.db2.gz	AFXQSVOUNVYMCG-KOLCDFICSA-N	0	1	239.344	0.311	20	30		BCEDMN
C#Cc1ccc(C(=O)NC23CCN(CC2)C3)cn1	ZINC000913628923	641431653	/nfs/dbraw/zinc/43/16/53/641431653.db2.gz	SOGNVAWZYYHYRG-UHFFFAOYSA-N	0	1	241.294	0.641	20	30		BCEDMN
N#Cc1ccncc1C(=O)NC12CCN(CC1)C2	ZINC000913634181	641435981	/nfs/dbraw/zinc/43/59/81/641435981.db2.gz	FHOYRKFZBCVVKA-UHFFFAOYSA-N	0	1	242.282	0.531	20	30		BCEDMN
N#C[C@]1(C(=O)NC23CCN(CC2)C3)CCCOC1	ZINC000913638020	641439739	/nfs/dbraw/zinc/43/97/39/641439739.db2.gz	RCVKXYXFYMMYIP-GFCCVEGCSA-N	0	1	249.314	0.271	20	30		BCEDMN
C#CCCCC(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000913745343	641466216	/nfs/dbraw/zinc/46/62/16/641466216.db2.gz	ZLQORUZEMWORRB-UHFFFAOYSA-N	0	1	247.302	0.709	20	30		BCEDMN
C=CCCS(=O)(=O)N1C[C@H](C)NC[C@H]1C	ZINC000156256043	641603095	/nfs/dbraw/zinc/60/30/95/641603095.db2.gz	XMIPBGFULOSBRK-VHSXEESVSA-N	0	1	232.349	0.575	20	30		BCEDMN
CN(CCC(=O)OC(C)(C)C)C[C@H](O)CC#N	ZINC000929828931	641708756	/nfs/dbraw/zinc/70/87/56/641708756.db2.gz	MFSGUOAPYREYRP-SNVBAGLBSA-N	0	1	242.319	0.925	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cnon2)C[C@@H]1C	ZINC000947833177	641758805	/nfs/dbraw/zinc/75/88/05/641758805.db2.gz	RIOFMIPCJKKZEG-VHSXEESVSA-N	0	1	248.286	0.286	20	30		BCEDMN
c1cnc(N=NC2CN3CCC2CC3)nc1	ZINC000915050646	641794040	/nfs/dbraw/zinc/79/40/40/641794040.db2.gz	DFELNNNPFHPPHJ-UHFFFAOYSA-N	0	1	217.276	0.970	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cc2cnoc2)C1	ZINC001015600680	641801228	/nfs/dbraw/zinc/80/12/28/641801228.db2.gz	HXNHMMSZHVDEKL-LBPRGKRZSA-N	0	1	247.298	0.431	20	30		BCEDMN
C=CCCN1CCN(C(=O)[C@H]2CCOC2)CC1	ZINC000948601248	641815558	/nfs/dbraw/zinc/81/55/58/641815558.db2.gz	DSCHDOYZQNFKJZ-LBPRGKRZSA-N	0	1	238.331	0.743	20	30		BCEDMN
C=C(C)CN1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C	ZINC000993728280	641880190	/nfs/dbraw/zinc/88/01/90/641880190.db2.gz	HYCQPHKIRIOORK-UWVGGRQHSA-N	0	1	239.319	0.017	20	30		BCEDMN
C=C(C)CN1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C	ZINC000993728279	641880372	/nfs/dbraw/zinc/88/03/72/641880372.db2.gz	HYCQPHKIRIOORK-NXEZZACHSA-N	0	1	239.319	0.017	20	30		BCEDMN
COc1ccnc(N=NCc2cn[nH]c2C)n1	ZINC000915962716	641892118	/nfs/dbraw/zinc/89/21/18/641892118.db2.gz	WDZDMNMQITVSLM-UHFFFAOYSA-N	0	1	232.247	0.963	20	30		BCEDMN
COCCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000916931663	641988494	/nfs/dbraw/zinc/98/84/94/641988494.db2.gz	WBKUXEAKVSOFLH-SECBINFHSA-N	0	1	224.260	0.400	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)[C@@H]2CCCO2)C1	ZINC001031531802	642277497	/nfs/dbraw/zinc/27/74/97/642277497.db2.gz	FPJOLZPYCDGANS-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccnn2C)C1	ZINC000971183277	642317252	/nfs/dbraw/zinc/31/72/52/642317252.db2.gz	CQKSZFNNVUZBHG-NSHDSACASA-N	0	1	246.314	0.200	20	30		BCEDMN
C[C@@H](C#N)OC(=O)c1[nH]nc2c1CCC2	ZINC000919333812	642329163	/nfs/dbraw/zinc/32/91/63/642329163.db2.gz	ZSXYLDNQJFZQOP-LURJTMIESA-N	0	1	205.217	0.967	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1	ZINC000971241904	642329725	/nfs/dbraw/zinc/32/97/25/642329725.db2.gz	LETMJXHMARNXIZ-GFCCVEGCSA-N	0	1	247.298	0.383	20	30		BCEDMN
CN(CC#N)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000971246517	642331625	/nfs/dbraw/zinc/33/16/25/642331625.db2.gz	PVAGXTABGVZGIV-LLVKDONJSA-N	0	1	247.302	0.008	20	30		BCEDMN
CN(CC#N)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000971246520	642332169	/nfs/dbraw/zinc/33/21/69/642332169.db2.gz	PVAGXTABGVZGIV-NSHDSACASA-N	0	1	247.302	0.008	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cscn2)C1	ZINC001031581250	642334971	/nfs/dbraw/zinc/33/49/71/642334971.db2.gz	NTZFXUGLXYLEBV-UHFFFAOYSA-N	0	1	249.339	0.828	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnn(CC)n2)C1	ZINC001031653841	642468056	/nfs/dbraw/zinc/46/80/56/642468056.db2.gz	SLNSIUSGONGCLB-UHFFFAOYSA-N	0	1	249.318	0.146	20	30		BCEDMN
N=C(N)NN=Cc1cn2cc(Cl)ccc2n1	ZINC000920375835	642484033	/nfs/dbraw/zinc/48/40/33/642484033.db2.gz	PCWUKDGGOZVFNP-UHFFFAOYSA-N	0	1	236.666	0.805	20	30		BCEDMN
C#CCCOC(=O)NC1CCN(CC#C)CC1	ZINC000921437179	642623121	/nfs/dbraw/zinc/62/31/21/642623121.db2.gz	ORMYDSATAQSVSL-UHFFFAOYSA-N	0	1	234.299	0.834	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1	ZINC000960046124	642657248	/nfs/dbraw/zinc/65/72/48/642657248.db2.gz	JIQREACHLPABFC-URLYPYJESA-N	0	1	218.300	0.466	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C	ZINC000961509756	642692915	/nfs/dbraw/zinc/69/29/15/642692915.db2.gz	ZFILAJRWJKSJFL-JZRPKSSGSA-N	0	1	232.327	0.712	20	30		BCEDMN
NC(CN1CCCCCC1)=NOCCCO	ZINC000305769123	642693491	/nfs/dbraw/zinc/69/34/91/642693491.db2.gz	GLLRHECAOKEBHC-UHFFFAOYSA-N	0	1	229.324	0.534	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCC2	ZINC000961901017	642711344	/nfs/dbraw/zinc/71/13/44/642711344.db2.gz	ACKMZVPTYWBSPY-QNWHQSFQSA-N	0	1	244.338	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1	ZINC000962137360	642717566	/nfs/dbraw/zinc/71/75/66/642717566.db2.gz	YPIABXVSXXFKOU-MYJAWHEDSA-N	0	1	247.323	0.436	20	30		BCEDMN
N#CCN[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1	ZINC000968875187	642820844	/nfs/dbraw/zinc/82/08/44/642820844.db2.gz	WTWUHDJUGIGSGX-LLVKDONJSA-N	0	1	247.302	0.056	20	30		BCEDMN
C=CC[N@H+]1CCC[C@H](NC(=O)Cc2ccon2)C1	ZINC001006957579	642824594	/nfs/dbraw/zinc/82/45/94/642824594.db2.gz	IPNMFLFTCNNZQY-LBPRGKRZSA-N	0	1	249.314	0.984	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cc2ccon2)C1	ZINC001006957579	642824596	/nfs/dbraw/zinc/82/45/96/642824596.db2.gz	IPNMFLFTCNNZQY-LBPRGKRZSA-N	0	1	249.314	0.984	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001006975193	642824657	/nfs/dbraw/zinc/82/46/57/642824657.db2.gz	GAXZEUSFPIYLQG-GFCCVEGCSA-N	0	1	248.330	0.719	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ccccn2)C1	ZINC001009901223	642846476	/nfs/dbraw/zinc/84/64/76/642846476.db2.gz	JSKFCCIFWCFQOW-GFCCVEGCSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1	ZINC001010246611	642854894	/nfs/dbraw/zinc/85/48/94/642854894.db2.gz	DFQLVCCEFZASAH-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)C(C)C)C1	ZINC001010254842	642857052	/nfs/dbraw/zinc/85/70/52/642857052.db2.gz	CFNJPYGHDVEFDF-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ccon2)C1	ZINC001010329311	642857134	/nfs/dbraw/zinc/85/71/34/642857134.db2.gz	ANEIREBJFFNOMF-JTQLQIEISA-N	0	1	233.271	0.502	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cn2cc(C)cn2)C1	ZINC001010333058	642860428	/nfs/dbraw/zinc/86/04/28/642860428.db2.gz	DRURXTGSJSCRNB-LBPRGKRZSA-N	0	1	248.330	0.568	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccnn2C)C1	ZINC001010364487	642861066	/nfs/dbraw/zinc/86/10/66/642861066.db2.gz	LIVIKIQDFACSBZ-SNVBAGLBSA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CC[N@H+]1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001010722852	642871680	/nfs/dbraw/zinc/87/16/80/642871680.db2.gz	VOBQQQDWUFENND-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001010722852	642871685	/nfs/dbraw/zinc/87/16/85/642871685.db2.gz	VOBQQQDWUFENND-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ncccc2O)C1	ZINC001010722852	642871687	/nfs/dbraw/zinc/87/16/87/642871687.db2.gz	VOBQQQDWUFENND-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2n[nH]cc2C)C1	ZINC001014357525	642885855	/nfs/dbraw/zinc/88/58/55/642885855.db2.gz	PGQJXSVYUODESY-SNVBAGLBSA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ncc[nH]2)C1	ZINC001014373231	642888755	/nfs/dbraw/zinc/88/87/55/642888755.db2.gz	OBRHYYYVNUUQDA-SECBINFHSA-N	0	1	220.276	0.400	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccc(C)nn2)C1	ZINC001014406405	642889349	/nfs/dbraw/zinc/88/93/49/642889349.db2.gz	JLAFIFYEYBNSBA-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cncn2C)C1	ZINC001015134813	642897414	/nfs/dbraw/zinc/89/74/14/642897414.db2.gz	CJKHUWCPOCFGOT-JTQLQIEISA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnc(C)n2C)C1	ZINC001015616261	642911938	/nfs/dbraw/zinc/91/19/38/642911938.db2.gz	QWXFJPZCPXJHHU-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2conc2C)C1	ZINC001015645588	642918018	/nfs/dbraw/zinc/91/80/18/642918018.db2.gz	JFMKXMONRLFXOT-LLVKDONJSA-N	0	1	247.298	0.810	20	30		BCEDMN
C=C1CC(C)(C(=O)N[C@H]2CCN(CCO)C2)C1	ZINC001015671772	642919358	/nfs/dbraw/zinc/91/93/58/642919358.db2.gz	DKHOHMAJKDTEHL-NSHDSACASA-N	0	1	238.331	0.526	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001015760907	642930813	/nfs/dbraw/zinc/93/08/13/642930813.db2.gz	AYYISDNEDRJGLK-SNVBAGLBSA-N	0	1	234.303	0.329	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ccnnc2)C1	ZINC001015749393	642931478	/nfs/dbraw/zinc/93/14/78/642931478.db2.gz	DOPOIJGSAUFIFI-GFCCVEGCSA-N	0	1	244.298	0.304	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccncn2)C1	ZINC001015874147	642938732	/nfs/dbraw/zinc/93/87/32/642938732.db2.gz	SCLKMCBXPKBIAI-JTQLQIEISA-N	0	1	232.287	0.467	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cnco2)C1	ZINC001031884407	642976211	/nfs/dbraw/zinc/97/62/11/642976211.db2.gz	WQDFRVBEJDBCGY-UHFFFAOYSA-N	0	1	235.287	0.912	20	30		BCEDMN
N#CCCNC(=O)c1ccc2[nH]nnc2c1	ZINC000353833451	643034063	/nfs/dbraw/zinc/03/40/63/643034063.db2.gz	DWNHIEHXGSHPRD-UHFFFAOYSA-N	0	1	215.216	0.601	20	30		BCEDMN
C#CCCCNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000183122831	643089649	/nfs/dbraw/zinc/08/96/49/643089649.db2.gz	YEEIDESLENIMAC-QMMMGPOBSA-N	0	1	221.264	0.578	20	30		BCEDMN
COC[C@H](O)CNCc1cc(C#N)ccc1F	ZINC000071273084	643113051	/nfs/dbraw/zinc/11/30/51/643113051.db2.gz	SQSUNLBTMOABAL-LLVKDONJSA-N	0	1	238.262	0.794	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnccn2)C1	ZINC000969229825	643116100	/nfs/dbraw/zinc/11/61/00/643116100.db2.gz	BTJPCCXGWZAMPP-JTQLQIEISA-N	0	1	246.314	0.713	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ccon2)C1	ZINC000969330286	643142179	/nfs/dbraw/zinc/14/21/79/643142179.db2.gz	OOUUSERLYCCKBP-SECBINFHSA-N	0	1	235.287	0.911	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ccn[nH]2)C1	ZINC000969330269	643143119	/nfs/dbraw/zinc/14/31/19/643143119.db2.gz	OHEMGJKAYYFNGT-VIFPVBQESA-N	0	1	234.303	0.646	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1	ZINC000941849947	643145201	/nfs/dbraw/zinc/14/52/01/643145201.db2.gz	KKXPETCWQMYCLE-JQWIXIFHSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cncnc2)C1	ZINC000969539173	643188888	/nfs/dbraw/zinc/18/88/88/643188888.db2.gz	NEOBYEJXQQKHBA-SNVBAGLBSA-N	0	1	246.314	0.713	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ncn(C)n2)C1	ZINC000969594278	643195138	/nfs/dbraw/zinc/19/51/38/643195138.db2.gz	JYMDYCQCHUOAKA-VIFPVBQESA-N	0	1	249.318	0.051	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CCO[C@H]2C)C1	ZINC001032076125	643236573	/nfs/dbraw/zinc/23/65/73/643236573.db2.gz	LLWZMMYWDHOJPS-JQWIXIFHSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2oncc2C)C1	ZINC001032098595	643253573	/nfs/dbraw/zinc/25/35/73/643253573.db2.gz	UASKOMUIHNIUMN-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C#CC[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1	ZINC000943715724	643254890	/nfs/dbraw/zinc/25/48/90/643254890.db2.gz	ABTUPWBYYDRSNK-ZJUUUORDSA-N	0	1	248.286	0.143	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1	ZINC000943715724	643254893	/nfs/dbraw/zinc/25/48/93/643254893.db2.gz	ABTUPWBYYDRSNK-ZJUUUORDSA-N	0	1	248.286	0.143	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2c[nH]nc2C)C1	ZINC000970241003	643403597	/nfs/dbraw/zinc/40/35/97/643403597.db2.gz	YKXTVDHFPKORFZ-SECBINFHSA-N	0	1	248.330	0.954	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO1	ZINC001032266926	643417379	/nfs/dbraw/zinc/41/73/79/643417379.db2.gz	YDLHPDRFOZLBQG-AVGNSLFASA-N	0	1	248.326	0.474	20	30		BCEDMN
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]n1	ZINC001032300766	643469934	/nfs/dbraw/zinc/46/99/34/643469934.db2.gz	MKAGDXIQRCRZOC-QWRGUYRKSA-N	0	1	246.314	0.803	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cccnn2)C1	ZINC000970635502	643488700	/nfs/dbraw/zinc/48/87/00/643488700.db2.gz	ZOXNNIKOIREBDT-JTQLQIEISA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCNC(=O)CN1CCCC(C)(C)C1	ZINC000083522834	643584799	/nfs/dbraw/zinc/58/47/99/643584799.db2.gz	AGXPHQUZURMSQO-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
CN(C)CC(=O)N[C@H](C#N)C1CCCC1	ZINC000921539822	643592595	/nfs/dbraw/zinc/59/25/95/643592595.db2.gz	FKAWRPAOBBMVBN-SNVBAGLBSA-N	0	1	209.293	0.747	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2CCC2)C1	ZINC000970932798	643623683	/nfs/dbraw/zinc/62/36/83/643623683.db2.gz	RVKDRZNDVNZKEY-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
CN1C[C@@H](NCc2csc(C#N)c2)CC1=O	ZINC000921641953	643642602	/nfs/dbraw/zinc/64/26/02/643642602.db2.gz	DNIUVVMHXCFUSK-VIFPVBQESA-N	0	1	235.312	0.940	20	30		BCEDMN
CN1C[C@H](NCc2csc(C#N)c2)CC1=O	ZINC000921641951	643643099	/nfs/dbraw/zinc/64/30/99/643643099.db2.gz	DNIUVVMHXCFUSK-SECBINFHSA-N	0	1	235.312	0.940	20	30		BCEDMN
C=CCCOCCNC(=O)NC[C@@H]1CCN1C	ZINC000921659330	643707484	/nfs/dbraw/zinc/70/74/84/643707484.db2.gz	DAGBEZDDJSDYSU-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C=CCOCCNC(=O)NC[C@@H]1CCN1C	ZINC000921870778	643813419	/nfs/dbraw/zinc/81/34/19/643813419.db2.gz	WPGYCELESDMZHM-JTQLQIEISA-N	0	1	227.308	0.192	20	30		BCEDMN
CC[N@H+]1CC[C@@H]1CNC(=O)C#CC1CC1	ZINC000922155633	643876079	/nfs/dbraw/zinc/87/60/79/643876079.db2.gz	DGAAJFRDZLUHNE-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)C#CC1CC1	ZINC000922155633	643876082	/nfs/dbraw/zinc/87/60/82/643876082.db2.gz	DGAAJFRDZLUHNE-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
COCCCC(=O)C(C#N)C(=O)NC(C)C	ZINC000131017489	643899344	/nfs/dbraw/zinc/89/93/44/643899344.db2.gz	KXWYOJGSAVTSOP-VIFPVBQESA-N	0	1	226.276	0.646	20	30		BCEDMN
C=CC[N@@H+](CCOC(C)C)CC(=O)[O-]	ZINC000086138604	643922756	/nfs/dbraw/zinc/92/27/56/643922756.db2.gz	AOIUGZNNWPHKGA-UHFFFAOYSA-N	0	1	201.266	0.984	20	30		BCEDMN
C=CC[N@H+](CCOC(C)C)CC(=O)[O-]	ZINC000086138604	643922760	/nfs/dbraw/zinc/92/27/60/643922760.db2.gz	AOIUGZNNWPHKGA-UHFFFAOYSA-N	0	1	201.266	0.984	20	30		BCEDMN
C#C[C@@H](NC(=O)NC[C@H]1CCN1C)C(C)C	ZINC000922520259	644011219	/nfs/dbraw/zinc/01/12/19/644011219.db2.gz	KXHJUQKIOZFQQH-GHMZBOCLSA-N	0	1	223.320	0.648	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NC[C@H]1CCN1C	ZINC000922526821	644014539	/nfs/dbraw/zinc/01/45/39/644014539.db2.gz	UXNIRQRFXKQRNJ-VHSXEESVSA-N	0	1	209.293	0.402	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cnn(C)n1	ZINC000321085214	644064121	/nfs/dbraw/zinc/06/41/21/644064121.db2.gz	IVSXYOVLLPTFKA-SECBINFHSA-N	0	1	210.281	0.232	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCC(C)(C)CC#N	ZINC000922835455	644113936	/nfs/dbraw/zinc/11/39/36/644113936.db2.gz	FTMIYFAYTQMZJL-SNVBAGLBSA-N	0	1	238.335	0.930	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCC1(C#N)CCC1	ZINC000922921448	644192019	/nfs/dbraw/zinc/19/20/19/644192019.db2.gz	GXSZILQDZDLWBL-JTQLQIEISA-N	0	1	236.319	0.684	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000193420562	644240326	/nfs/dbraw/zinc/24/03/26/644240326.db2.gz	BWNXNQKNDSUFAC-XHNCKOQMSA-N	0	1	224.260	0.114	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C	ZINC000193420583	644241170	/nfs/dbraw/zinc/24/11/70/644241170.db2.gz	BWNXNQKNDSUFAC-DJLDLDEBSA-N	0	1	224.260	0.114	20	30		BCEDMN
C=C(C)CONC(=O)NC[C@@H]1CCN1C	ZINC000923079937	644259117	/nfs/dbraw/zinc/25/91/17/644259117.db2.gz	IMARERNSPWBMFJ-VIFPVBQESA-N	0	1	213.281	0.497	20	30		BCEDMN
C=C(C)CN(C)C(=O)NCCCc1nc[nH]n1	ZINC000923131352	644270798	/nfs/dbraw/zinc/27/07/98/644270798.db2.gz	GZQRSQNPECADEO-UHFFFAOYSA-N	0	1	237.307	0.955	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(OCC)CC1	ZINC000193780830	644280418	/nfs/dbraw/zinc/28/04/18/644280418.db2.gz	BCRBXXGIPDVEHX-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C	ZINC000923218702	644290187	/nfs/dbraw/zinc/29/01/87/644290187.db2.gz	XVDZHMHQRNDOLM-GUBZILKMSA-N	0	1	209.293	0.400	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCCC=C)CC1	ZINC000923222422	644290510	/nfs/dbraw/zinc/29/05/10/644290510.db2.gz	KOZHYKVIRBTIPS-UHFFFAOYSA-N	0	1	235.331	0.959	20	30		BCEDMN
C=CCOCCCNC(=O)NC[C@H]1CCN1C	ZINC000923273747	644307384	/nfs/dbraw/zinc/30/73/84/644307384.db2.gz	FFUKMUAXPVURFQ-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
C#CCNCC(=O)N1C[C@@H](C)OC[C@@H]1CC	ZINC000082344008	644369596	/nfs/dbraw/zinc/36/95/96/644369596.db2.gz	AOZQPBZBGRKREH-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCCCN1CCN[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000923523465	644483176	/nfs/dbraw/zinc/48/31/76/644483176.db2.gz	RWVQYQBTWNBWRR-MNOVXSKESA-N	0	1	244.360	0.023	20	30		BCEDMN
C=CCONC(=O)N1CCCN(C)CC1	ZINC000838701535	644543440	/nfs/dbraw/zinc/54/34/40/644543440.db2.gz	BIGIAIMFQUZAIX-UHFFFAOYSA-N	0	1	213.281	0.451	20	30		BCEDMN
Cc1cc(C)c(C=NNC2=NC[C@H](C)N2)[nH]1	ZINC000779797243	644715844	/nfs/dbraw/zinc/71/58/44/644715844.db2.gz	CRROXEAQOXGSFK-VIFPVBQESA-N	0	1	219.292	0.903	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc(O)cc(O)c1	ZINC000779805632	644718043	/nfs/dbraw/zinc/71/80/43/644718043.db2.gz	QPWRBGGJTYUSSH-SSDOTTSWSA-N	0	1	248.286	0.759	20	30		BCEDMN
C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000249714385	644734006	/nfs/dbraw/zinc/73/40/06/644734006.db2.gz	HFJJTJNTMPNTPD-BBBLOLIVSA-N	0	1	220.272	0.974	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F	ZINC000958048716	644771783	/nfs/dbraw/zinc/77/17/83/644771783.db2.gz	RKDXBAGFECYDNY-URLYPYJESA-N	0	1	238.306	0.804	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1	ZINC000958038724	644771824	/nfs/dbraw/zinc/77/18/24/644771824.db2.gz	KYCKJPWHUIRLMP-ITGUQSILSA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F	ZINC000958048814	644773805	/nfs/dbraw/zinc/77/38/05/644773805.db2.gz	TVEBXCAFSBZETF-BRPSZJMVSA-N	0	1	228.242	0.321	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)on1	ZINC000958169986	644779962	/nfs/dbraw/zinc/77/99/62/644779962.db2.gz	UXBHDXYZKAWGHL-IAZYJMLFSA-N	0	1	245.282	0.276	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1	ZINC000958479392	644798890	/nfs/dbraw/zinc/79/88/90/644798890.db2.gz	OREWZADMYKPJCX-IMRBUKKESA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1	ZINC000958558459	644809189	/nfs/dbraw/zinc/80/91/89/644809189.db2.gz	DSLMDNLDLAANNV-ITGUQSILSA-N	0	1	230.311	0.776	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c1	ZINC000958564981	644810899	/nfs/dbraw/zinc/81/08/99/644810899.db2.gz	CMRIENMINYQIDE-ITGUQSILSA-N	0	1	243.310	0.318	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1	ZINC000958581054	644811343	/nfs/dbraw/zinc/81/13/43/644811343.db2.gz	VGARMIQMJDYKLT-QNWHQSFQSA-N	0	1	248.326	0.235	20	30		BCEDMN
CC#CC(=O)N[C@H](CCC)c1nn[nH]n1	ZINC000801166456	644839042	/nfs/dbraw/zinc/83/90/42/644839042.db2.gz	JHTCQQZNKTUIKV-SSDOTTSWSA-N	0	1	207.237	0.180	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCC[C@H]1C(=O)N(C)C	ZINC000801912321	644844830	/nfs/dbraw/zinc/84/48/30/644844830.db2.gz	NCGVHILSLPYUIM-QWRGUYRKSA-N	0	1	239.319	0.468	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCN(C2CC2)CC1	ZINC000304254008	644881508	/nfs/dbraw/zinc/88/15/08/644881508.db2.gz	ROTUYAZJLZFQMU-NSHDSACASA-N	0	1	223.320	0.695	20	30		BCEDMN
C[C@H](C#N)OCCN1CCN(C2CC2)CC1	ZINC000304254005	644881978	/nfs/dbraw/zinc/88/19/78/644881978.db2.gz	ROTUYAZJLZFQMU-LLVKDONJSA-N	0	1	223.320	0.695	20	30		BCEDMN
C#CCO[N-]C(=O)C[N@H+](C)[C@@H]1CCSC1	ZINC000812783401	644931110	/nfs/dbraw/zinc/93/11/10/644931110.db2.gz	NLCJPSWFEGZUFN-SECBINFHSA-N	0	1	228.317	0.105	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@H]1c1ncc[nH]1	ZINC000815078961	644951362	/nfs/dbraw/zinc/95/13/62/644951362.db2.gz	LEJSWZDMJWIXPG-NSHDSACASA-N	0	1	246.314	0.686	20	30		BCEDMN
CSC[C@@H](O)CNCc1ccc(C#N)cn1	ZINC000819312629	645010181	/nfs/dbraw/zinc/01/01/81/645010181.db2.gz	UYSUXBJTUMCUJW-NSHDSACASA-N	0	1	237.328	0.767	20	30		BCEDMN
CC(C)OC[C@H](O)CNCc1ccc(C#N)cn1	ZINC000819314071	645010876	/nfs/dbraw/zinc/01/08/76/645010876.db2.gz	QEUXBQCXEDOQEB-CYBMUJFWSA-N	0	1	249.314	0.829	20	30		BCEDMN
C[C@@H](C#N)OCCN1CC[C@@](O)(CC#N)C1	ZINC000829998489	645113207	/nfs/dbraw/zinc/11/32/07/645113207.db2.gz	MKUBPBZBXYQFSC-QWRGUYRKSA-N	0	1	223.276	0.266	20	30		BCEDMN
CCC(=O)CCN1CC[C@@](O)(CC#N)C1	ZINC000829998851	645113754	/nfs/dbraw/zinc/11/37/54/645113754.db2.gz	SFWFBEBAKYHNHU-NSHDSACASA-N	0	1	210.277	0.706	20	30		BCEDMN
C#CC1CCN(C[C@H]2CCS(=O)(=O)C2)CC1	ZINC000830345509	645120507	/nfs/dbraw/zinc/12/05/07/645120507.db2.gz	GISDXCHTENFDHH-GFCCVEGCSA-N	0	1	241.356	0.766	20	30		BCEDMN
CC#CC(=O)N1CCN(CC)C[C@@H]1CC	ZINC000836946621	645182732	/nfs/dbraw/zinc/18/27/32/645182732.db2.gz	ANDFICGUGSGOJH-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCNC(=O)NC[C@H](N)c1ccccc1OC	ZINC000841506236	645217619	/nfs/dbraw/zinc/21/76/19/645217619.db2.gz	NQSJHCSLUSHGHL-NSHDSACASA-N	0	1	247.298	0.627	20	30		BCEDMN
CC(C)CNC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000841506949	645218150	/nfs/dbraw/zinc/21/81/50/645218150.db2.gz	MJHDNCMUPMFXRT-IUCAKERBSA-N	0	1	210.281	0.053	20	30		BCEDMN
C#CCN1CCC[C@@H](N[C@H](C)c2cnn(C)n2)C1	ZINC000926868161	645465084	/nfs/dbraw/zinc/46/50/84/645465084.db2.gz	ODSBVYPUYRBNKF-VXGBXAGGSA-N	0	1	247.346	0.563	20	30		BCEDMN
C#CC(=O)NCc1cc(N(C)C)ccn1	ZINC000927706970	645642013	/nfs/dbraw/zinc/64/20/13/645642013.db2.gz	BKEGPTIDCATWGM-UHFFFAOYSA-N	0	1	203.245	0.397	20	30		BCEDMN
C[C@H](C#N)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927702786	645642184	/nfs/dbraw/zinc/64/21/84/645642184.db2.gz	BAPMOCKJRLLQBC-SECBINFHSA-N	0	1	232.287	0.923	20	30		BCEDMN
C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)N(C)C	ZINC000928211575	645711075	/nfs/dbraw/zinc/71/10/75/645711075.db2.gz	KVUBOPGXXKAZPY-UWVGGRQHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C#CCC1(O)CCN(C(=O)c2ccn[nH]2)CC1	ZINC000882522032	645843322	/nfs/dbraw/zinc/84/33/22/645843322.db2.gz	CQCUIFJCNACSJE-UHFFFAOYSA-N	0	1	233.271	0.400	20	30		BCEDMN
C#CCN(C(=O)CCc1nn[nH]n1)C(C)C	ZINC000928622863	645848564	/nfs/dbraw/zinc/84/85/64/645848564.db2.gz	CNTKMPFXRCNHAP-UHFFFAOYSA-N	0	1	221.264	0.003	20	30		BCEDMN
C#CC[C@H](CO)NCc1conc1CC	ZINC000883124453	645848609	/nfs/dbraw/zinc/84/86/09/645848609.db2.gz	HGKOPWCCQVEWKD-SNVBAGLBSA-N	0	1	208.261	0.711	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cn2cccc(F)c2n1	ZINC000883124559	645849518	/nfs/dbraw/zinc/84/95/18/645849518.db2.gz	KDNBYAIBABWMET-JTQLQIEISA-N	0	1	247.273	0.947	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2(C)COC2)CC1	ZINC000928654021	645853046	/nfs/dbraw/zinc/85/30/46/645853046.db2.gz	KHYMONJVDUEXLV-UHFFFAOYSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN1CCC(NC(=O)CCF)CC1	ZINC000928648115	645853608	/nfs/dbraw/zinc/85/36/08/645853608.db2.gz	GTASKBZENYLSPL-UHFFFAOYSA-N	0	1	212.268	0.560	20	30		BCEDMN
C[C@@H](NC1CCN(CC#N)CC1)c1cnn(C)n1	ZINC000924999333	646155719	/nfs/dbraw/zinc/15/57/19/646155719.db2.gz	GQDQUPPZXLEOHW-SNVBAGLBSA-N	0	1	248.334	0.454	20	30		BCEDMN
C=CCN1CC(=O)N(C[C@H]2CCN2C)C1=O	ZINC000925198151	646207254	/nfs/dbraw/zinc/20/72/54/646207254.db2.gz	ZILZHQFSMBQZRB-SECBINFHSA-N	0	1	223.276	0.141	20	30		BCEDMN
CN(CCn1cccn1)C[C@H](O)CC#N	ZINC000929621765	646207875	/nfs/dbraw/zinc/20/78/75/646207875.db2.gz	RFOACINRPMSKPD-SNVBAGLBSA-N	0	1	208.265	0.089	20	30		BCEDMN
C[C@@H]1CSCCN1C[C@H](O)CC#N	ZINC000929688253	646244719	/nfs/dbraw/zinc/24/47/19/646244719.db2.gz	KAVGBHKMYOZTCI-RKDXNWHRSA-N	0	1	200.307	0.698	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CC[C@@](F)(C#N)C1	ZINC000925419886	646273509	/nfs/dbraw/zinc/27/35/09/646273509.db2.gz	GZBKGPTWJBQLNI-MWLCHTKSSA-N	0	1	240.282	0.338	20	30		BCEDMN
CC#CCN(C)C(=O)NC[C@@H]1CCN1C	ZINC000925423729	646276933	/nfs/dbraw/zinc/27/69/33/646276933.db2.gz	IMGFPOFFVKTIGA-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CCC[C@H](C#N)C1	ZINC000925432770	646277960	/nfs/dbraw/zinc/27/79/60/646277960.db2.gz	OXJCPUIZKQGOLD-MNOVXSKESA-N	0	1	236.319	0.636	20	30		BCEDMN
C#CCSCCN[C@H](C)c1cnn(C)n1	ZINC000925453121	646285715	/nfs/dbraw/zinc/28/57/15/646285715.db2.gz	GYKPBABOQSTNDU-SECBINFHSA-N	0	1	224.333	0.832	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](O)CCC1(O)CCC1	ZINC000929757752	646288134	/nfs/dbraw/zinc/28/81/34/646288134.db2.gz	LCSMRXIDGYMNIU-ZDUSSCGKSA-N	0	1	235.327	0.611	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCOC2(CCOCC2)C1	ZINC000929851610	646360492	/nfs/dbraw/zinc/36/04/92/646360492.db2.gz	JMJDXHRCIREPLS-LBPRGKRZSA-N	0	1	241.331	0.805	20	30		BCEDMN
CC(C)(C)[C@H](NCc1cncc(C#N)c1)C(N)=O	ZINC000930012160	646394591	/nfs/dbraw/zinc/39/45/91/646394591.db2.gz	WXVGUEBYDLQZJP-LLVKDONJSA-N	0	1	246.314	0.943	20	30		BCEDMN
CC[C@@H](CO)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000930113217	646439668	/nfs/dbraw/zinc/43/96/68/646439668.db2.gz	BVKUKYYLDULGHW-QWHCGFSZSA-N	0	1	239.363	0.923	20	30		BCEDMN
COCC(COC)N1CCN(CCC#N)CC1	ZINC000930115642	646441417	/nfs/dbraw/zinc/44/14/17/646441417.db2.gz	BERQJEJVFSQOFW-UHFFFAOYSA-N	0	1	241.335	0.179	20	30		BCEDMN
C=CC[C@H](CO)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000926152831	646585470	/nfs/dbraw/zinc/58/54/70/646585470.db2.gz	LGPJGAQZYQPKRH-IVZWLZJFSA-N	0	1	222.292	0.811	20	30		BCEDMN
C=CC[C@H](CO)N[C@H]1C[C@H](C)n2ncnc21	ZINC000926152829	646586122	/nfs/dbraw/zinc/58/61/22/646586122.db2.gz	LGPJGAQZYQPKRH-AEJSXWLSSA-N	0	1	222.292	0.811	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H]1C[C@H]2COC[C@H]2O1	ZINC000724622628	711600598	/nfs/dbraw/zinc/60/05/98/711600598.db2.gz	JFCXJRISDCJCKH-VPOLOUISSA-N	0	1	210.277	0.682	20	30		BCEDMN
C#CCOCCNC(=O)[C@@H]1CCCCN1CC	ZINC000753233689	711793263	/nfs/dbraw/zinc/79/32/63/711793263.db2.gz	YLHLSTPFNFBRLG-LBPRGKRZSA-N	0	1	238.331	0.627	20	30		BCEDMN
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913524442	711823534	/nfs/dbraw/zinc/82/35/34/711823534.db2.gz	MQDIUNWXBGXTRC-SDDRHHMPSA-N	0	1	238.331	0.339	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)co1	ZINC000913521130	711824075	/nfs/dbraw/zinc/82/40/75/711824075.db2.gz	LWIPCMBCJMIWER-UHFFFAOYSA-N	0	1	220.272	0.883	20	30		BCEDMN
CO[C@H](C(=O)NCC#CCN(C)C)C(C)C	ZINC000913521034	711824085	/nfs/dbraw/zinc/82/40/85/711824085.db2.gz	IUPASTJYGZGSTF-NSHDSACASA-N	0	1	226.320	0.339	20	30		BCEDMN
C=C[C@H](NC[C@H]1CCN1CC)C(=O)OC	ZINC000710309001	712250904	/nfs/dbraw/zinc/25/09/04/712250904.db2.gz	HPLSZTDVQXYUEA-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCCS(=O)(=O)NC1CCN(CC)CC1	ZINC000711064934	712277917	/nfs/dbraw/zinc/27/79/17/712277917.db2.gz	JGSIRFCGJKCYNN-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H](CF)C1	ZINC000711501155	712306169	/nfs/dbraw/zinc/30/61/69/712306169.db2.gz	CRAFENVXSZSPNL-SNVBAGLBSA-N	0	1	212.268	0.417	20	30		BCEDMN
CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CC2)C1	ZINC001079333413	712346840	/nfs/dbraw/zinc/34/68/40/712346840.db2.gz	VGEOXEVYZPKRSA-ZYHUDNBSSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001080273325	712352952	/nfs/dbraw/zinc/35/29/52/712352952.db2.gz	PQVUOBIGWLMGNO-WHOHXGKFSA-N	0	1	220.316	0.712	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cn(CC)nn1	ZINC000714927680	712500768	/nfs/dbraw/zinc/50/07/68/712500768.db2.gz	JVHDTPXHLQQSGP-VIFPVBQESA-N	0	1	210.281	0.325	20	30		BCEDMN
C=CC[C@@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000715942485	712544578	/nfs/dbraw/zinc/54/45/78/712544578.db2.gz	JOBVTZIPROVGFD-IUCAKERBSA-N	0	1	210.281	0.403	20	30		BCEDMN
C#CC[C@H](COC)NCc1cc(C)nn1C	ZINC000716355026	712556061	/nfs/dbraw/zinc/55/60/61/712556061.db2.gz	UHFDQAXONUXTBO-LLVKDONJSA-N	0	1	221.304	0.856	20	30		BCEDMN
C#CCSCCNC(=O)Cc1cc(C)n[nH]1	ZINC000120191100	712620875	/nfs/dbraw/zinc/62/08/75/712620875.db2.gz	JRPDFSYUSHHPLB-UHFFFAOYSA-N	0	1	237.328	0.743	20	30		BCEDMN
N#C[C@@H]1CCCN(CC2(O)CCOCC2)C1	ZINC000932151929	712715798	/nfs/dbraw/zinc/71/57/98/712715798.db2.gz	LFNAKJPVOCOTAB-NSHDSACASA-N	0	1	224.304	0.763	20	30		BCEDMN
Nc1ncccc1C=NNC1CCOCC1	ZINC000381269128	710614643	/nfs/dbraw/zinc/61/46/43/710614643.db2.gz	VCJKTBSGQOSIAT-UHFFFAOYSA-N	0	1	220.276	0.766	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC1(Cl)Cl	ZINC000381481150	710643759	/nfs/dbraw/zinc/64/37/59/710643759.db2.gz	DJDMOEIFKJSCBE-VQVTYTSYSA-N	0	1	248.113	0.408	20	30		BCEDMN
C#C[C@@](C)(CC)NCCS(=O)(=O)CC	ZINC000384129528	710641095	/nfs/dbraw/zinc/64/10/95/710641095.db2.gz	ACNGWFMGGTUZDX-JTQLQIEISA-N	0	1	217.334	0.813	20	30		BCEDMN
CCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1	ZINC000381497464	710646651	/nfs/dbraw/zinc/64/66/51/710646651.db2.gz	BNDHMSROTSRACP-RKDXNWHRSA-N	0	1	207.277	0.404	20	30		BCEDMN
CCCSCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000381622210	710662700	/nfs/dbraw/zinc/66/27/00/710662700.db2.gz	CYDUWIXDWIQQAJ-IUCAKERBSA-N	0	1	227.333	0.357	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)N(C)C)[C@H]1CCCO1	ZINC000393750009	710672248	/nfs/dbraw/zinc/67/22/48/710672248.db2.gz	BLHZXMFYQJRZQN-OUAUKWLOSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ccn(C)c1	ZINC001038166538	710675992	/nfs/dbraw/zinc/67/59/92/710675992.db2.gz	HEPOSQLNQFMSOP-CYBMUJFWSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)C1=CCOCC1	ZINC001038190737	710679744	/nfs/dbraw/zinc/67/97/44/710679744.db2.gz	OCWKYNOQQORKRN-CYBMUJFWSA-N	0	1	248.326	0.547	20	30		BCEDMN
C[C@@H](CO)N(C)Cc1cncc(C#N)c1	ZINC000721537721	710680169	/nfs/dbraw/zinc/68/01/69/710680169.db2.gz	BYYSETCCOQACIJ-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
N#Cc1cncc(CN(CCO)C2CC2)c1	ZINC000721537719	710680280	/nfs/dbraw/zinc/68/02/80/710680280.db2.gz	BXGJLJMUQLDNBK-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ccnnc1	ZINC001038732046	710703422	/nfs/dbraw/zinc/70/34/22/710703422.db2.gz	ISNHMFHMUOSTBL-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1[nH]cnc1C	ZINC001039086323	710719805	/nfs/dbraw/zinc/71/98/05/710719805.db2.gz	KOBOKANKKMIHHD-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
CCC[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000393790640	710719831	/nfs/dbraw/zinc/71/98/31/710719831.db2.gz	LSPPANBBFUDXPJ-IVZWLZJFSA-N	0	1	209.293	0.650	20	30		BCEDMN
C=CCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1	ZINC001042563849	710793055	/nfs/dbraw/zinc/79/30/55/710793055.db2.gz	XVVSQJPCCYHVFY-UHFFFAOYSA-N	0	1	234.303	0.281	20	30		BCEDMN
C#CCCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1	ZINC001042565424	710793445	/nfs/dbraw/zinc/79/34/45/710793445.db2.gz	XNWIRJYXIXMAOL-UHFFFAOYSA-N	0	1	246.314	0.118	20	30		BCEDMN
COCCN(C)N=Cc1c(C)nn(C)c1N	ZINC000382165501	710801930	/nfs/dbraw/zinc/80/19/30/710801930.db2.gz	USIIGLUAOBDNAB-UHFFFAOYSA-N	0	1	225.296	0.223	20	30		BCEDMN
CC(=NN[C@H]1CCOC1)c1ccc(N)nc1	ZINC000393927160	710827948	/nfs/dbraw/zinc/82/79/48/710827948.db2.gz	TYMSRLQEUYQDJV-JTQLQIEISA-N	0	1	220.276	0.597	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)C2CC2)C1	ZINC001046092692	710848404	/nfs/dbraw/zinc/84/84/04/710848404.db2.gz	NGXSAVWTTCXEEV-GFCCVEGCSA-N	0	1	206.289	0.610	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1	ZINC001046123134	710849940	/nfs/dbraw/zinc/84/99/40/710849940.db2.gz	QGXWYPGLDKUNAF-DGCLKSJQSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)C2=COCCC2)C1	ZINC001046181655	710854091	/nfs/dbraw/zinc/85/40/91/710854091.db2.gz	YAOHQFNIDMHSHC-CQSZACIVSA-N	0	1	248.326	0.895	20	30		BCEDMN
C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC001046190823	710855457	/nfs/dbraw/zinc/85/54/57/710855457.db2.gz	XIGXZEIFDIKNKO-JSGCOSHPSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC2(F)F)C1	ZINC001046299898	710858456	/nfs/dbraw/zinc/85/84/56/710858456.db2.gz	STIKHDYZCUGTBI-MWLCHTKSSA-N	0	1	242.269	0.855	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)[nH]1	ZINC001054477683	710936486	/nfs/dbraw/zinc/93/64/86/710936486.db2.gz	CHVYPXKAGULGPK-KCJUWKMLSA-N	0	1	247.302	0.292	20	30		BCEDMN
Cc1ccc(C=NNC2=NCCN2)s1	ZINC000383924718	710986545	/nfs/dbraw/zinc/98/65/45/710986545.db2.gz	PCPIXSRMKGPMEL-UHFFFAOYSA-N	0	1	208.290	0.939	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H](CC)OC	ZINC000386151837	711023592	/nfs/dbraw/zinc/02/35/92/711023592.db2.gz	SGGBUNTZFMCJOY-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
C#CCCCN(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000387276046	711041942	/nfs/dbraw/zinc/04/19/42/711041942.db2.gz	NQBREQAUNSVBFC-LLVKDONJSA-N	0	1	229.345	0.909	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@@H+](C)[C@@H](C)C1)C(=O)[O-]	ZINC000390210945	711109029	/nfs/dbraw/zinc/10/90/29/711109029.db2.gz	VCUAXTMNCPWWTQ-WCBMZHEXSA-N	0	1	227.308	0.909	20	30		BCEDMN
C=CCN1CCCN(C(=O)c2ccnn2C)CC1	ZINC000072252438	711126892	/nfs/dbraw/zinc/12/68/92/711126892.db2.gz	XBTYWLDELWQWSG-UHFFFAOYSA-N	0	1	248.330	0.754	20	30		BCEDMN
C=CCN1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2	ZINC001071107741	711166377	/nfs/dbraw/zinc/16/63/77/711166377.db2.gz	KFYCPNJRHDWKGZ-AAEUAGOBSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2	ZINC001071107743	711167174	/nfs/dbraw/zinc/16/71/74/711167174.db2.gz	KFYCPNJRHDWKGZ-WCQYABFASA-N	0	1	238.331	0.884	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn[n-]2)CC[C@H]1C	ZINC001071634590	711198374	/nfs/dbraw/zinc/19/83/74/711198374.db2.gz	FZQMEVWROTYYIL-ZJUUUORDSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CC[N@@H+]1C[C@H](NC(=O)c2ncn[n-]2)CC[C@@H]1C	ZINC001071908057	711209041	/nfs/dbraw/zinc/20/90/41/711209041.db2.gz	LLWLBQVHIQNXBI-VHSXEESVSA-N	0	1	247.302	0.021	20	30		BCEDMN
CC#CCN1CCCO[C@H](CNC(C)=O)C1	ZINC001073505878	711440695	/nfs/dbraw/zinc/44/06/95/711440695.db2.gz	IZKJXVSWADJGBL-GFCCVEGCSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CCCC1	ZINC000381480117	710643338	/nfs/dbraw/zinc/64/33/38/710643338.db2.gz	CNQHOUREWJCDCB-VHSXEESVSA-N	0	1	207.277	0.404	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2cn[nH]c2)CC1	ZINC001045375334	710838418	/nfs/dbraw/zinc/83/84/18/710838418.db2.gz	PYWWNUMGYMZZNF-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000900401572	710843266	/nfs/dbraw/zinc/84/32/66/710843266.db2.gz	XMIBKZLECQLPEH-DTWKUNHWSA-N	0	1	209.293	0.887	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001046324089	710859900	/nfs/dbraw/zinc/85/99/00/710859900.db2.gz	HXJAYHGIJSUFCL-YUTCNCBUSA-N	0	1	248.326	0.237	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)OC)C1	ZINC000971158198	711500983	/nfs/dbraw/zinc/50/09/83/711500983.db2.gz	SLZLGKDWCZXYDQ-WDEREUQCSA-N	0	1	224.304	0.187	20	30		BCEDMN
CC[C@H](C)C(=O)C(C#N)C(=O)NCCCOC	ZINC000125146396	711608139	/nfs/dbraw/zinc/60/81/39/711608139.db2.gz	QTZFZXNGBGGCPD-VHSXEESVSA-N	0	1	240.303	0.894	20	30		BCEDMN
N#Cc1cncc(CN(CCO)CCCO)c1	ZINC000721554827	711623488	/nfs/dbraw/zinc/62/34/88/711623488.db2.gz	DUUUJPBPOREWDY-UHFFFAOYSA-N	0	1	235.287	0.130	20	30		BCEDMN
C#C[C@@H](NCC#CCOC)[C@@H]1CCCO1	ZINC000308950150	711653819	/nfs/dbraw/zinc/65/38/19/711653819.db2.gz	OUGCFKXRVXSLJB-NEPJUHHUSA-N	0	1	207.273	0.407	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)N(C)C)[C@H]1CCCO1	ZINC000393750007	711677188	/nfs/dbraw/zinc/67/71/88/711677188.db2.gz	BLHZXMFYQJRZQN-GARJFASQSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cnn(C)c1	ZINC001038048012	711690330	/nfs/dbraw/zinc/69/03/30/711690330.db2.gz	RBGJDQYJGYIYFR-GFCCVEGCSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cnn(C)c1	ZINC001038048014	711690388	/nfs/dbraw/zinc/69/03/88/711690388.db2.gz	RBGJDQYJGYIYFR-LBPRGKRZSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000092492625	711705897	/nfs/dbraw/zinc/70/58/97/711705897.db2.gz	SCEKVDZBGLEGQH-UHFFFAOYSA-N	0	1	247.254	0.434	20	30		BCEDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)NCCC#N	ZINC000335290799	711723145	/nfs/dbraw/zinc/72/31/45/711723145.db2.gz	LIQGCQCQRWREST-NSHDSACASA-N	0	1	238.335	0.882	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)C(F)F)C1	ZINC001009813731	711731735	/nfs/dbraw/zinc/73/17/35/711731735.db2.gz	JHBMLOSZDGAIKS-MRVPVSSYSA-N	0	1	216.231	0.465	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(C)o1	ZINC000841661653	711738699	/nfs/dbraw/zinc/73/86/99/711738699.db2.gz	NJGYQKOEYSRQHV-UHFFFAOYSA-N	0	1	206.249	0.861	20	30		BCEDMN
c1ccc2c(c1)OCC2=NNC1=NCCN1	ZINC000841661649	711739169	/nfs/dbraw/zinc/73/91/69/711739169.db2.gz	YTXMOXGTKOVBTN-UHFFFAOYSA-N	0	1	216.244	0.332	20	30		BCEDMN
C#CCN1CCCN(C(=O)c2cnc(C)[nH]2)CC1	ZINC000980843276	711749411	/nfs/dbraw/zinc/74/94/11/711749411.db2.gz	VVMRKRBUQQRIMD-UHFFFAOYSA-N	0	1	246.314	0.499	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C	ZINC000048542929	711770156	/nfs/dbraw/zinc/77/01/56/711770156.db2.gz	VKNPHMUWXSGFAI-HRDYMLBCSA-N	0	1	208.261	0.876	20	30		BCEDMN
C=CCOCCCC(=O)NC[C@@H]1CCN1C	ZINC000928564060	711778367	/nfs/dbraw/zinc/77/83/67/711778367.db2.gz	QYCSWKYVUVPRIY-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
N#CC1(CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1	ZINC000897635672	711798681	/nfs/dbraw/zinc/79/86/81/711798681.db2.gz	GOPLVBJTVCNAJQ-LLVKDONJSA-N	0	1	249.314	0.127	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ccnn1C	ZINC001038111376	711798702	/nfs/dbraw/zinc/79/87/02/711798702.db2.gz	IPCQLXQEZXOAJF-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
N#CCNC1CCN(C(=O)c2ccn[nH]2)CC1	ZINC000989977813	711799161	/nfs/dbraw/zinc/79/91/61/711799161.db2.gz	AITMIMIXQZGVOW-UHFFFAOYSA-N	0	1	233.275	0.127	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1	ZINC001076375526	711805023	/nfs/dbraw/zinc/80/50/23/711805023.db2.gz	LFZILKRDMINZFF-VHSXEESVSA-N	0	1	247.302	0.137	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc[nH]1	ZINC000913515537	711823378	/nfs/dbraw/zinc/82/33/78/711823378.db2.gz	BFUUZSNQKWJULY-UHFFFAOYSA-N	0	1	205.261	0.310	20	30		BCEDMN
C/C=C/C=C/C(=O)NCC#CCN(C)C	ZINC000913514645	711823444	/nfs/dbraw/zinc/82/34/44/711823444.db2.gz	XOTXZTKVKOYUDB-HSKKLARCSA-N	0	1	206.289	0.800	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cccnc1	ZINC000913514307	711823488	/nfs/dbraw/zinc/82/34/88/711823488.db2.gz	LSBRSXYSHZRMLB-UHFFFAOYSA-N	0	1	217.272	0.376	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1ccsc1	ZINC000913514564	711823653	/nfs/dbraw/zinc/82/36/53/711823653.db2.gz	VDXQHTNUFZIMBR-UHFFFAOYSA-N	0	1	236.340	0.972	20	30		BCEDMN
CN(C)CC#CCNC(=O)COc1ccccc1	ZINC000913514504	711823656	/nfs/dbraw/zinc/82/36/56/711823656.db2.gz	RWTATZUNGGPEBE-UHFFFAOYSA-N	0	1	246.310	0.747	20	30		BCEDMN
Cc1occc1C(=O)NCC#CCN(C)C	ZINC000913515682	711823736	/nfs/dbraw/zinc/82/37/36/711823736.db2.gz	IODUFDWRQKKASH-UHFFFAOYSA-N	0	1	220.272	0.883	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCC#CCN(C)C	ZINC000913520895	711823895	/nfs/dbraw/zinc/82/38/95/711823895.db2.gz	CFUGIULAHNQEHQ-UHFFFAOYSA-N	0	1	220.316	0.717	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@]1(C)CCCOC1	ZINC000913520969	711824067	/nfs/dbraw/zinc/82/40/67/711824067.db2.gz	GOWFIPQKPRIURN-CYBMUJFWSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1[nH]nnc1C	ZINC001038583134	711877805	/nfs/dbraw/zinc/87/78/05/711877805.db2.gz	SFGPHHIWAHMCIX-SNVBAGLBSA-N	0	1	249.318	0.493	20	30		BCEDMN
CC#CCN1CC[C@H](N(C)C(=O)CC)C1	ZINC001032846014	711962009	/nfs/dbraw/zinc/96/20/09/711962009.db2.gz	JRUBKKFCIJWYCU-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCCN1CC[C@H](N(C)C(=O)c2cocn2)C1	ZINC001032956860	711969592	/nfs/dbraw/zinc/96/95/92/711969592.db2.gz	KGAFIMCIUODSJS-NSHDSACASA-N	0	1	247.298	0.844	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1	ZINC001033007377	711971115	/nfs/dbraw/zinc/97/11/15/711971115.db2.gz	BFUZPSHWNZEWTE-CYBMUJFWSA-N	0	1	245.326	0.805	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cncnc2)C1	ZINC001033034195	711971676	/nfs/dbraw/zinc/97/16/76/711971676.db2.gz	VTVIFBXXLKUFFV-GFCCVEGCSA-N	0	1	246.314	0.809	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC23CC3)C1	ZINC001033450124	711992046	/nfs/dbraw/zinc/99/20/46/711992046.db2.gz	RDDGBMLNESBPHZ-NWDGAFQWSA-N	0	1	232.327	0.952	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1	ZINC001033563399	712004410	/nfs/dbraw/zinc/00/44/10/712004410.db2.gz	WARHXFBTGGOFPR-SNVBAGLBSA-N	0	1	249.318	0.066	20	30		BCEDMN
N#CC1(NC(=O)c2ncn[nH]2)CCCC1	ZINC000700871361	712009616	/nfs/dbraw/zinc/00/96/16/712009616.db2.gz	MFMLXIBZYQEJKN-UHFFFAOYSA-N	0	1	205.221	0.371	20	30		BCEDMN
N#CC1(NC(=O)c2nc[nH]n2)CCCC1	ZINC000700871361	712009617	/nfs/dbraw/zinc/00/96/17/712009617.db2.gz	MFMLXIBZYQEJKN-UHFFFAOYSA-N	0	1	205.221	0.371	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1	ZINC001033655479	712010555	/nfs/dbraw/zinc/01/05/55/712010555.db2.gz	HYPVOINGXWSFDG-LLVKDONJSA-N	0	1	248.330	0.752	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000702295162	712043249	/nfs/dbraw/zinc/04/32/49/712043249.db2.gz	GEVFPVBDBWQILT-GHMZBOCLSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2	ZINC001035673081	712140114	/nfs/dbraw/zinc/14/01/14/712140114.db2.gz	LWBJWMVQKBKCPR-LBPRGKRZSA-N	0	1	245.326	0.704	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)C1=NC(=O)N(C)C1	ZINC000708392553	712191662	/nfs/dbraw/zinc/19/16/62/712191662.db2.gz	SVYASIFSSMFSNT-LURJTMIESA-N	0	1	208.221	0.015	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)C1=NC(=O)N(C)C1	ZINC000708395977	712192593	/nfs/dbraw/zinc/19/25/93/712192593.db2.gz	PMKJXMFWKNXQLF-SSDOTTSWSA-N	0	1	222.248	0.357	20	30		BCEDMN
CN1CC(C(=O)N2CC[C@@](C)(C#N)C2)=NC1=O	ZINC000708408479	712194274	/nfs/dbraw/zinc/19/42/74/712194274.db2.gz	ODILZILADBQVIK-NSHDSACASA-N	0	1	234.259	0.501	20	30		BCEDMN
CC[C@@]1(O)CCCN(CC(=O)NCCC#N)C1	ZINC000710636010	712264442	/nfs/dbraw/zinc/26/44/42/712264442.db2.gz	QWGUHGKYALYDJT-GFCCVEGCSA-N	0	1	239.319	0.253	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)C1CCN(C)CC1	ZINC000711065788	712278025	/nfs/dbraw/zinc/27/80/25/712278025.db2.gz	WHPCWZBOMDTCRB-UHFFFAOYSA-N	0	1	244.360	0.366	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)C(F)F)C1	ZINC001079330746	712347104	/nfs/dbraw/zinc/34/71/04/712347104.db2.gz	UJOOJIDUNUNPMC-HTQZYQBOSA-N	0	1	218.247	0.874	20	30		BCEDMN
CN(CCn1cnnn1)Cc1cccc(C#N)c1	ZINC000711941193	712339933	/nfs/dbraw/zinc/33/99/33/712339933.db2.gz	HWWFLEBMJLVBDN-UHFFFAOYSA-N	0	1	242.286	0.677	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)c1ccc(C#N)cc1	ZINC000712263293	712344761	/nfs/dbraw/zinc/34/47/61/712344761.db2.gz	GAJXKQXNBJWYDZ-LBPRGKRZSA-N	0	1	229.283	0.992	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1	ZINC001079470692	712349099	/nfs/dbraw/zinc/34/90/99/712349099.db2.gz	YJLQFCNYSUZGCZ-GRYCIOLGSA-N	0	1	236.315	0.093	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1	ZINC001079664754	712349548	/nfs/dbraw/zinc/34/95/48/712349548.db2.gz	KGZALFQUBVWBKR-GHMZBOCLSA-N	0	1	248.330	0.954	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CC3)C1	ZINC001080505909	712353798	/nfs/dbraw/zinc/35/37/98/712353798.db2.gz	JOJZXBSSAFVSCD-GRYCIOLGSA-N	0	1	232.327	0.856	20	30		BCEDMN
C=CCS(=O)(=O)CCNCC1(F)CC1	ZINC000379630594	712391008	/nfs/dbraw/zinc/39/10/08/712391008.db2.gz	MZAOMURGNGJXSO-UHFFFAOYSA-N	0	1	221.297	0.679	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@@H](C(=O)OC)C1	ZINC000715742622	712531199	/nfs/dbraw/zinc/53/11/99/712531199.db2.gz	ZAKLVFWDFPKVCQ-VHSXEESVSA-N	0	1	213.277	0.825	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000716623522	712567930	/nfs/dbraw/zinc/56/79/30/712567930.db2.gz	IALXASGQOQKCDF-SECBINFHSA-N	0	1	221.260	0.141	20	30		BCEDMN
C#CC[C@H](COC)NCc1snnc1C	ZINC000716818947	712577009	/nfs/dbraw/zinc/57/70/09/712577009.db2.gz	LNVRYNBZPYUNNO-SECBINFHSA-N	0	1	225.317	0.974	20	30		BCEDMN
C#CCNC(=O)CN(C(C)C)[C@H]1CCOC1	ZINC000812861206	712586879	/nfs/dbraw/zinc/58/68/79/712586879.db2.gz	KVKLLBJAPPTOLM-NSHDSACASA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@H](O)[C@H](O)CNCc1ccc(C#N)cc1F	ZINC000717272297	712642006	/nfs/dbraw/zinc/64/20/06/712642006.db2.gz	UUOLJXUGAYDQJJ-QPUJVOFHSA-N	0	1	238.262	0.529	20	30		BCEDMN
C#CCN1CCC[C@@H](Nc2cc(=O)n(C)cn2)C1	ZINC000884611646	712647821	/nfs/dbraw/zinc/64/78/21/712647821.db2.gz	QQRDADASUYVLDN-LLVKDONJSA-N	0	1	246.314	0.290	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(C)nn1C	ZINC000717727718	712667683	/nfs/dbraw/zinc/66/76/83/712667683.db2.gz	JMCPGVCFCUNTRS-SNVBAGLBSA-N	0	1	207.277	0.202	20	30		BCEDMN
C#CC[C@H](CO)N[C@H](C)c1cnccn1	ZINC000717778187	712675563	/nfs/dbraw/zinc/67/55/63/712675563.db2.gz	YLVBRBPCXBCHME-NXEZZACHSA-N	0	1	205.261	0.511	20	30		BCEDMN
CC(C)(O)[C@@H]1CCCN(CC(=O)NCC#N)C1	ZINC000719641277	712819130	/nfs/dbraw/zinc/81/91/30/712819130.db2.gz	ZYNRCRFKFQYTPR-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H](C(C)(C)O)C1	ZINC000719652482	712821363	/nfs/dbraw/zinc/82/13/63/712821363.db2.gz	BDNPVZCDBATZAB-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
N#CCC(=O)N[C@H]1CCCN2CCSC[C@H]12	ZINC000720511298	712847793	/nfs/dbraw/zinc/84/77/93/712847793.db2.gz	MTYFGMSKHFOTNB-VHSXEESVSA-N	0	1	239.344	0.596	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@@](C)(COC)C1	ZINC000626175981	346815426	/nfs/dbraw/zinc/81/54/26/346815426.db2.gz	CZOXCWJZNUWEQU-NWDGAFQWSA-N	0	1	229.320	0.661	20	30		BCEDMN
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CC#N	ZINC000408438214	398170191	/nfs/dbraw/zinc/17/01/91/398170191.db2.gz	GLTXAMWIIXINNW-JTQLQIEISA-N	0	1	239.319	0.204	20	30		BCEDMN
N#C[C@@H]1CN(c2ncnc3nc[nH]c32)CCO1	ZINC000113197058	136216498	/nfs/dbraw/zinc/21/64/98/136216498.db2.gz	BCGIHJAPEDNZMZ-SSDOTTSWSA-N	0	1	230.231	0.082	20	30		BCEDMN
C=CCn1cc(CN[C@@H](CC)COC)nn1	ZINC000424290075	398179085	/nfs/dbraw/zinc/17/90/85/398179085.db2.gz	BBRLLHDYPITKME-JTQLQIEISA-N	0	1	224.308	0.979	20	30		BCEDMN
N#Cc1cccc(CNC[C@@H]2CCC(=O)N2)n1	ZINC000602714708	343981036	/nfs/dbraw/zinc/98/10/36/343981036.db2.gz	CICVSYZMBKOPAH-NSHDSACASA-N	0	1	230.271	0.321	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC=C(COC)CC1	ZINC000185878338	136220226	/nfs/dbraw/zinc/22/02/26/136220226.db2.gz	VYUCJHYEVAFEIQ-NSHDSACASA-N	0	1	238.331	0.956	20	30		BCEDMN
N#Cc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1	ZINC000236593662	187328546	/nfs/dbraw/zinc/32/85/46/187328546.db2.gz	IZFHPAIZOMSGFX-RYUDHWBXSA-N	0	1	218.256	0.096	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C[C@H]1COCCN1	ZINC000122475377	136222221	/nfs/dbraw/zinc/22/22/21/136222221.db2.gz	UYFOHGVCEMHGMA-UWVGGRQHSA-N	0	1	212.293	0.446	20	30		BCEDMN
CC(C)N(Cc1ccc(C#N)o1)C[C@@H](O)CO	ZINC000421409255	192331920	/nfs/dbraw/zinc/33/19/20/192331920.db2.gz	MGEHMKLJDMWRLH-SNVBAGLBSA-N	0	1	238.287	0.715	20	30		BCEDMN
C[C@H]([C@H](C)NCCC#N)N1CCOCC1	ZINC000576627753	365642377	/nfs/dbraw/zinc/64/23/77/365642377.db2.gz	CTOIWAPKIKWJFC-WDEREUQCSA-N	0	1	211.309	0.599	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1cnnc(C)c1	ZINC000294105646	398260009	/nfs/dbraw/zinc/26/00/09/398260009.db2.gz	YQGQFDKJWPCPBK-UHFFFAOYSA-N	0	1	246.314	0.470	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1cocn1	ZINC000294107893	398260032	/nfs/dbraw/zinc/26/00/32/398260032.db2.gz	YWBHAHHIQSEBLA-UHFFFAOYSA-N	0	1	221.260	0.360	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cc(C#N)c[nH]1	ZINC000336002050	398260170	/nfs/dbraw/zinc/26/01/70/398260170.db2.gz	RLYZJLDZKWJSLM-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)CN(C)C1CCC1	ZINC000630012552	361898160	/nfs/dbraw/zinc/89/81/60/361898160.db2.gz	ZCDVSQKYYPYSCA-LLVKDONJSA-N	0	1	238.331	0.361	20	30		BCEDMN
Cc1cc(CN2C[C@@H](O)[C@H](O)C2)ccc1C#N	ZINC000489049886	398307504	/nfs/dbraw/zinc/30/75/04/398307504.db2.gz	YJPBABQGESCAJQ-CHWSQXEVSA-N	0	1	232.283	0.404	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC(=O)NCCN1CCC1	ZINC000329656548	136244562	/nfs/dbraw/zinc/24/45/62/136244562.db2.gz	MOXNJMZETRYIFV-QWRGUYRKSA-N	0	1	236.319	0.888	20	30		BCEDMN
CC[C@H](CC#N)N[C@H](C)Cn1cncn1	ZINC000602611429	349634788	/nfs/dbraw/zinc/63/47/88/349634788.db2.gz	LMFKFDJOEVJEOR-NXEZZACHSA-N	0	1	207.281	0.948	20	30		BCEDMN
C[C@H](Cn1cncn1)NCC(C)(C)C#N	ZINC000602612955	349636629	/nfs/dbraw/zinc/63/66/29/349636629.db2.gz	KBXOMUGVRCILCU-SECBINFHSA-N	0	1	207.281	0.806	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)NCCCC#N	ZINC000260061757	349639176	/nfs/dbraw/zinc/63/91/76/349639176.db2.gz	PMYXAHZGUIPUCD-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
CC[C@@H](CC#N)NCCCOC(=O)NC(N)=O	ZINC000496569565	529448021	/nfs/dbraw/zinc/44/80/21/529448021.db2.gz	JTZPIUQYTVBSTA-QMMMGPOBSA-N	0	1	242.279	0.463	20	30		BCEDMN
C[C@@H](Cn1cncn1)NCC1(C#N)CC1	ZINC000602643759	349655922	/nfs/dbraw/zinc/65/59/22/349655922.db2.gz	SUEJMLSMQPIECN-VIFPVBQESA-N	0	1	205.265	0.560	20	30		BCEDMN
C=C(C)CC[N@H+]1CCN(CCO)[C@@H](C)C1	ZINC000351830941	136256275	/nfs/dbraw/zinc/25/62/75/136256275.db2.gz	APLQWJDBDOQBOM-LBPRGKRZSA-N	0	1	212.337	0.951	20	30		BCEDMN
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N#Cc1ccc(CN2[C@H](CO)CC[C@H]2CO)nc1	ZINC000602883665	344020263	/nfs/dbraw/zinc/02/02/63/344020263.db2.gz	KLNQXBFUNFUPJZ-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
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N#CCNC(=O)c1ccc2cncn2c1	ZINC000336467039	136264172	/nfs/dbraw/zinc/26/41/72/136264172.db2.gz	UFYUPRYSBGBWIV-UHFFFAOYSA-N	0	1	200.201	0.588	20	30		BCEDMN
C[C@@H](CC#N)N(C)CCCC(=O)NC(N)=O	ZINC000177368224	346927281	/nfs/dbraw/zinc/92/72/81/346927281.db2.gz	BGKGBSKEPCIBER-QMMMGPOBSA-N	0	1	226.280	0.195	20	30		BCEDMN
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C#CCCN1CCNC(=O)[C@H]1CC(C)C	ZINC000275543042	187237853	/nfs/dbraw/zinc/23/78/53/187237853.db2.gz	ZEBYGTYJQRCYPL-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C=C(C)CCN1CCSC[C@@H]1C(N)=O	ZINC000274875627	187237943	/nfs/dbraw/zinc/23/79/43/187237943.db2.gz	YLAXWDBFLCTHKQ-SECBINFHSA-N	0	1	214.334	0.855	20	30		BCEDMN
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C#CCC(CC#C)C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000278402936	187240062	/nfs/dbraw/zinc/24/00/62/187240062.db2.gz	OXKFOBQOONFMMO-VIFPVBQESA-N	0	1	230.271	0.645	20	30		BCEDMN
C#CCN(CC)CCN1C(=O)NC(C)(C)C1=O	ZINC000266928968	187235621	/nfs/dbraw/zinc/23/56/21/187235621.db2.gz	NUQZVLOETCGLPJ-UHFFFAOYSA-N	0	1	237.303	0.272	20	30		BCEDMN
COC[C@H](C)OC[C@@H](O)CN[C@@H](C)CC#N	ZINC000602871459	349802655	/nfs/dbraw/zinc/80/26/55/349802655.db2.gz	RUTOPWLHTLJXLF-DCAQKATOSA-N	0	1	230.308	0.291	20	30		BCEDMN
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CCCN1CCN(c2cnc(C#N)cn2)CC1	ZINC000071178731	534936279	/nfs/dbraw/zinc/93/62/79/534936279.db2.gz	FSCIYYOWZSJBQF-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
CN(CC(=O)NCC#N)[C@H]1CCSC1	ZINC000119886908	136292210	/nfs/dbraw/zinc/29/22/10/136292210.db2.gz	YQGRQUQKRYEALQ-QMMMGPOBSA-N	0	1	213.306	0.063	20	30		BCEDMN
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CC1(C#N)CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1	ZINC000285023508	136287114	/nfs/dbraw/zinc/28/71/14/136287114.db2.gz	HQDSTCPWWQRAIY-QMMMGPOBSA-N	0	1	245.286	0.282	20	30		BCEDMN
C[C@H](CCC#N)[N@H+]1CC[C@@H](S(N)(=O)=O)C1	ZINC000569814397	323041320	/nfs/dbraw/zinc/04/13/20/323041320.db2.gz	WWPHWEAJNIZDRE-RKDXNWHRSA-N	0	1	231.321	0.041	20	30		BCEDMN
C[C@H](CCC#N)N1CC[C@@H](S(N)(=O)=O)C1	ZINC000569814397	323041321	/nfs/dbraw/zinc/04/13/21/323041321.db2.gz	WWPHWEAJNIZDRE-RKDXNWHRSA-N	0	1	231.321	0.041	20	30		BCEDMN
C=C(C)CCn1cc(CN2CCN(C)CC2)nn1	ZINC000641069081	362180374	/nfs/dbraw/zinc/18/03/74/362180374.db2.gz	DWEBEPCYZRREKF-UHFFFAOYSA-N	0	1	249.362	0.992	20	30		BCEDMN
CC(=O)N1CC[C@@H](NCc2ccc(C#N)o2)C1	ZINC000344663916	343425668	/nfs/dbraw/zinc/42/56/68/343425668.db2.gz	BOQJXSFTTBBWQU-SNVBAGLBSA-N	0	1	233.271	0.862	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1CC1(C#N)CC1	ZINC000602899698	349815482	/nfs/dbraw/zinc/81/54/82/349815482.db2.gz	RCEPWHBYPCSLHS-NXEZZACHSA-N	0	1	210.277	0.108	20	30		BCEDMN
CO[C@@H]1C[N@@H+](CCOCCC#N)[C@](C)(CO)C1	ZINC000602963801	349826246	/nfs/dbraw/zinc/82/62/46/349826246.db2.gz	IPLATKFCDYXLTD-RYUDHWBXSA-N	0	1	242.319	0.388	20	30		BCEDMN
CN1CCC[C@H](NC(=O)C2(C#N)CCC2)C1	ZINC000083798257	343672039	/nfs/dbraw/zinc/67/20/39/343672039.db2.gz	QHZWBNFXNBWFEY-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
CN1CCN(c2ncncc2C#N)CC1(C)C	ZINC000380216230	343693020	/nfs/dbraw/zinc/69/30/20/343693020.db2.gz	KBIOYQSRZAROOZ-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1CO[C@H](CO)CN1CCCCC#N	ZINC000088092315	343705101	/nfs/dbraw/zinc/70/51/01/343705101.db2.gz	KFCSHAYQKZSWDT-QWRGUYRKSA-N	0	1	212.293	0.762	20	30		BCEDMN
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C=C[C@@H](C(=O)OC)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000603018474	349858535	/nfs/dbraw/zinc/85/85/35/349858535.db2.gz	ZXZDOPKWXZPWJO-NWDGAFQWSA-N	0	1	240.347	0.986	20	30		BCEDMN
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CN1CCC[C@@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000259145786	344545651	/nfs/dbraw/zinc/54/56/51/344545651.db2.gz	UVTBBGWMQBZPNC-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
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C=C[C@](C)(O)C(=O)N(C)Cc1cn[nH]c1C	ZINC000636070419	346311257	/nfs/dbraw/zinc/31/12/57/346311257.db2.gz	NCWVQCNEGWUCIY-NSHDSACASA-N	0	1	223.276	0.614	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N1CC[N@@H+](C)C(C)(C)C1	ZINC000603430420	349952530	/nfs/dbraw/zinc/95/25/30/349952530.db2.gz	HQYFJJXOEAFEHV-JTQLQIEISA-N	0	1	238.335	0.882	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N1CCN(C)C(C)(C)C1	ZINC000603430420	349952533	/nfs/dbraw/zinc/95/25/33/349952533.db2.gz	HQYFJJXOEAFEHV-JTQLQIEISA-N	0	1	238.335	0.882	20	30		BCEDMN
C#CCONC(=O)[C@@H]1COc2ccccc2C1	ZINC000291289011	346348191	/nfs/dbraw/zinc/34/81/91/346348191.db2.gz	PKSZYLGNMIDKKF-NSHDSACASA-N	0	1	231.251	0.919	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc(C)o1	ZINC000641767736	362702801	/nfs/dbraw/zinc/70/28/01/362702801.db2.gz	PYJAYTLQIOGWSP-JTQLQIEISA-N	0	1	208.261	0.847	20	30		BCEDMN
CC[C@@H](CC#N)NCCNC(=O)NC(C)C	ZINC000563366492	323121473	/nfs/dbraw/zinc/12/14/73/323121473.db2.gz	QWQGFCDOUPIOJO-JTQLQIEISA-N	0	1	226.324	0.976	20	30		BCEDMN
CC[C@H](CC#N)NCCNC(=O)NC(C)C	ZINC000563366518	323121560	/nfs/dbraw/zinc/12/15/60/323121560.db2.gz	QWQGFCDOUPIOJO-SNVBAGLBSA-N	0	1	226.324	0.976	20	30		BCEDMN
CCOC1CC(Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000580073569	346509367	/nfs/dbraw/zinc/50/93/67/346509367.db2.gz	OIBUKIPIHKUGRA-UHFFFAOYSA-N	0	1	249.270	0.223	20	30		BCEDMN
C=CCOCCNC(=O)c1[nH]nc2c1CCC2	ZINC000679495778	537982351	/nfs/dbraw/zinc/98/23/51/537982351.db2.gz	NOLUPFWVFIROQV-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C=C(C)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1	ZINC000626168094	346535980	/nfs/dbraw/zinc/53/59/80/346535980.db2.gz	KCFQMIFONMJMLD-NSHDSACASA-N	0	1	246.376	0.824	20	30		BCEDMN
C[C@H]1CCC[C@](C#N)(NC(=O)Cc2nnc[nH]2)C1	ZINC000601189309	346611525	/nfs/dbraw/zinc/61/15/25/346611525.db2.gz	HMQOZSQAOCPSRB-CABZTGNLSA-N	0	1	247.302	0.936	20	30		BCEDMN
Cc1nnc(NC(=O)c2cc(O)cc(C#N)c2)[nH]1	ZINC000589184938	346671981	/nfs/dbraw/zinc/67/19/81/346671981.db2.gz	CIOWEGSUUWWBDO-UHFFFAOYSA-N	0	1	243.226	0.943	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1ccc(C#N)nn1	ZINC000590146882	346781100	/nfs/dbraw/zinc/78/11/00/346781100.db2.gz	SLLOSTLOQXYZKQ-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
CCc1nc(CN2CCOC[C@H]2C#N)n[nH]1	ZINC000184602608	347169484	/nfs/dbraw/zinc/16/94/84/347169484.db2.gz	QOCHGIALEZYHQP-MRVPVSSYSA-N	0	1	221.264	0.091	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)CCCCc1cn[nH]n1	ZINC000184775631	347177876	/nfs/dbraw/zinc/17/78/76/347177876.db2.gz	DWNNBUCZNGHEKK-VIFPVBQESA-N	0	1	235.291	0.936	20	30		BCEDMN
C=CCN1CCC(N(C)S(=O)(=O)CC)CC1	ZINC000109009779	347251458	/nfs/dbraw/zinc/25/14/58/347251458.db2.gz	GGEVAAZQGFESDW-UHFFFAOYSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCN(CCC#N)S(=O)(=O)c1ncc[nH]1	ZINC000601419232	347338102	/nfs/dbraw/zinc/33/81/02/347338102.db2.gz	GJRLAYLWZOFHQV-UHFFFAOYSA-N	0	1	240.288	0.500	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000601432290	347352553	/nfs/dbraw/zinc/35/25/53/347352553.db2.gz	NQFQJWOVHMSGKJ-GFCCVEGCSA-N	0	1	247.302	0.890	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000601432290	347352556	/nfs/dbraw/zinc/35/25/56/347352556.db2.gz	NQFQJWOVHMSGKJ-GFCCVEGCSA-N	0	1	247.302	0.890	20	30		BCEDMN
N#C[C@]1(F)CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000601400243	347318510	/nfs/dbraw/zinc/31/85/10/347318510.db2.gz	PXCMADZKFSMFBU-MRVPVSSYSA-N	0	1	244.251	0.036	20	30		BCEDMN
N#CC1(CNS(=O)(=O)c2ncc[nH]2)CCC1	ZINC000601443441	347363070	/nfs/dbraw/zinc/36/30/70/347363070.db2.gz	FIIADSLVFWJJCC-UHFFFAOYSA-N	0	1	240.288	0.382	20	30		BCEDMN
CCOC(=O)c1c(C)[nH]nc1CN(C)CC#N	ZINC000590603057	347475924	/nfs/dbraw/zinc/47/59/24/347475924.db2.gz	PTVGJKKLQRFGRW-UHFFFAOYSA-N	0	1	236.275	0.850	20	30		BCEDMN
CCN(C)CCNS(=O)(=O)CCCC#N	ZINC000111334038	347476614	/nfs/dbraw/zinc/47/66/14/347476614.db2.gz	FBAFTVJHYJOKQA-UHFFFAOYSA-N	0	1	233.337	0.161	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)C#N	ZINC000590936360	347592768	/nfs/dbraw/zinc/59/27/68/347592768.db2.gz	XPLLMQPDPQKPGQ-WDEREUQCSA-N	0	1	238.335	0.882	20	30		BCEDMN
C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)C	ZINC000591796980	347697161	/nfs/dbraw/zinc/69/71/61/347697161.db2.gz	JSVIQKXULRKBOG-LPEHRKFASA-N	0	1	209.293	0.745	20	30		BCEDMN
C[C@H]1[C@H](C)[N@@H+](C)CCN1c1cncc(C#N)n1	ZINC000591460069	347665753	/nfs/dbraw/zinc/66/57/53/347665753.db2.gz	LLJCFQCXBUOKHI-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2cncc(C#N)n2)CCN1C	ZINC000591460069	347665755	/nfs/dbraw/zinc/66/57/55/347665755.db2.gz	LLJCFQCXBUOKHI-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
COC(C)(C)CCn1c(=O)[nH]cc(C#N)c1=O	ZINC000592354393	347767357	/nfs/dbraw/zinc/76/73/57/347767357.db2.gz	MPQLELXKRRDDCE-UHFFFAOYSA-N	0	1	237.259	0.223	20	30		BCEDMN
C=CCCOCCNC(=O)c1ncn[nH]1	ZINC000229921749	166271074	/nfs/dbraw/zinc/27/10/74/166271074.db2.gz	IYIKRGTZFZRWBP-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C=CCCOCCNC(=O)c1nc[nH]n1	ZINC000229921749	166271080	/nfs/dbraw/zinc/27/10/80/166271080.db2.gz	IYIKRGTZFZRWBP-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
N#CCC[C@@H](C#N)CNCC1(CO)CC1	ZINC000592430469	347785856	/nfs/dbraw/zinc/78/58/56/347785856.db2.gz	RXNNRGPIHJGFJB-JTQLQIEISA-N	0	1	207.277	0.792	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@@H]1CCN(CCOC)C1	ZINC000593457702	347898910	/nfs/dbraw/zinc/89/89/10/347898910.db2.gz	IEFDUJZNWZDGHJ-WDEREUQCSA-N	0	1	239.319	0.373	20	30		BCEDMN
CCC[C@H](NC(=O)[C@H](C#N)CC)c1nn[nH]n1	ZINC000593510959	347902174	/nfs/dbraw/zinc/90/21/74/347902174.db2.gz	ZWNVNRJHCCRMGQ-YUMQZZPRSA-N	0	1	236.279	0.707	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000593733021	347938123	/nfs/dbraw/zinc/93/81/23/347938123.db2.gz	UPFIJTNBRLZSHF-ZETCQYMHSA-N	0	1	233.275	0.848	20	30		BCEDMN
N#Cc1ccnc(N2CC(N3CC[C@@H](O)C3)C2)c1	ZINC000593506757	347908553	/nfs/dbraw/zinc/90/85/53/347908553.db2.gz	AZLOEKRYTZTECL-GFCCVEGCSA-N	0	1	244.298	0.208	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000593600526	347919208	/nfs/dbraw/zinc/91/92/08/347919208.db2.gz	BERJALLVZSUDTN-SFYZADRCSA-N	0	1	236.279	0.311	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCN2CCC1CC2	ZINC000593642370	347925436	/nfs/dbraw/zinc/92/54/36/347925436.db2.gz	HNXHLHIPEAMZEI-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN1CC[C@@H](C)C1	ZINC000577409310	365948835	/nfs/dbraw/zinc/94/88/35/365948835.db2.gz	UYGIBSHRTMGTAC-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
Cn1cnnc1N1CCN(CCCCC#N)CC1	ZINC000594023712	347991378	/nfs/dbraw/zinc/99/13/78/347991378.db2.gz	SQRWJFMCDRRPGM-UHFFFAOYSA-N	0	1	248.334	0.631	20	30		BCEDMN
CC(C)[C@](C)(NCc1ccc(C#N)cn1)C(N)=O	ZINC000593986439	347979612	/nfs/dbraw/zinc/97/96/12/347979612.db2.gz	BGLXRFSILNXITP-ZDUSSCGKSA-N	0	1	246.314	0.943	20	30		BCEDMN
CN(C)CC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594409369	348047928	/nfs/dbraw/zinc/04/79/28/348047928.db2.gz	UPSPEISBAMHMSM-UHFFFAOYSA-N	0	1	229.283	0.962	20	30		BCEDMN
C=CCOCC(=O)NCc1cc(C)[nH]n1	ZINC000603488878	349981127	/nfs/dbraw/zinc/98/11/27/349981127.db2.gz	YJADUFKBLOORQY-UHFFFAOYSA-N	0	1	209.249	0.537	20	30		BCEDMN
CO[C@H](CN[C@H](C)CC#N)[C@H]1CCOC1	ZINC000594710464	348104432	/nfs/dbraw/zinc/10/44/32/348104432.db2.gz	LGGHOBGSUXWEOR-OUAUKWLOSA-N	0	1	212.293	0.930	20	30		BCEDMN
C=CCCSCCNC(=O)N1CCNCC1	ZINC000595271660	348209969	/nfs/dbraw/zinc/20/99/69/348209969.db2.gz	NBBTULJEBGCQEE-UHFFFAOYSA-N	0	1	243.376	0.911	20	30		BCEDMN
C[C@H](C#N)CN(CCc1c[nH]nn1)C1CC1	ZINC000595390398	348243636	/nfs/dbraw/zinc/24/36/36/348243636.db2.gz	VXNGPJJNPWUGDC-SECBINFHSA-N	0	1	219.292	0.971	20	30		BCEDMN
N#C[C@@]1(F)CCN(CCc2c[nH]nn2)C1	ZINC000595457670	348255375	/nfs/dbraw/zinc/25/53/75/348255375.db2.gz	YTZYRDOPIFGFQE-VIFPVBQESA-N	0	1	209.228	0.285	20	30		BCEDMN
C[N@@H+](Cc1n[n-]c(=O)o1)[C@H]1CC[C@@H](C#N)C1	ZINC000595547832	348268690	/nfs/dbraw/zinc/26/86/90/348268690.db2.gz	STGMAFIERJRTBN-SFYZADRCSA-N	0	1	222.248	0.899	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1cnc[nH]1	ZINC000595596191	348293682	/nfs/dbraw/zinc/29/36/82/348293682.db2.gz	LPNRUUSRHWTMEW-JTQLQIEISA-N	0	1	249.318	0.602	20	30		BCEDMN
N#CC[C@@H]1CCCN(Cc2c[nH]nn2)C1	ZINC000595622445	348290963	/nfs/dbraw/zinc/29/09/63/348290963.db2.gz	ARNYVVXVALRAMB-VIFPVBQESA-N	0	1	205.265	0.930	20	30		BCEDMN
CCC#C[C@@H](C)N[C@@H]1CCO[C@@H]1C(=O)OC	ZINC000595665204	348301694	/nfs/dbraw/zinc/30/16/94/348301694.db2.gz	UVWRTNBQDCQGPV-MXWKQRLJSA-N	0	1	225.288	0.708	20	30		BCEDMN
C=C(C)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000419326002	192121693	/nfs/dbraw/zinc/12/16/93/192121693.db2.gz	LMSSAQCLUDDGQQ-RYUDHWBXSA-N	0	1	212.337	0.949	20	30		BCEDMN
C[C@@H]1CCCN(CC(=O)NCC#N)[C@@H]1CCO	ZINC000595706056	348308330	/nfs/dbraw/zinc/30/83/30/348308330.db2.gz	XDSXFWOGCZDTEK-GHMZBOCLSA-N	0	1	239.319	0.109	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@H]2C[C@H]2C1	ZINC000595808652	348348889	/nfs/dbraw/zinc/34/88/89/348348889.db2.gz	ORZRNLQXPKRSTN-UWVGGRQHSA-N	0	1	237.303	0.340	20	30		BCEDMN
CNC(=O)CCCN1CC[C@](C)(C#N)C1	ZINC000595840780	348375222	/nfs/dbraw/zinc/37/52/22/348375222.db2.gz	FGRXHJAUEKLWPT-LLVKDONJSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@]1(C#N)CCN(CCc2c[nH]nn2)C1	ZINC000595841914	348377171	/nfs/dbraw/zinc/37/71/71/348377171.db2.gz	PKURIYHOFGSXHH-SNVBAGLBSA-N	0	1	205.265	0.583	20	30		BCEDMN
C[C@]1(C#N)CCN(CC[C@@H]2CCNC2=O)C1	ZINC000595842214	348378161	/nfs/dbraw/zinc/37/81/61/348378161.db2.gz	QASIPDFVANSCOQ-CMPLNLGQSA-N	0	1	221.304	0.748	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000595864069	348383714	/nfs/dbraw/zinc/38/37/14/348383714.db2.gz	OPHRFDOKCSRQJU-NXEZZACHSA-N	0	1	237.303	0.074	20	30		BCEDMN
C=C[C@H](CO)NCc1ccnc(C#N)c1	ZINC000595864112	348383769	/nfs/dbraw/zinc/38/37/69/348383769.db2.gz	QPODDLSKKDRAIX-SNVBAGLBSA-N	0	1	203.245	0.590	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)c2cnccc2N)C1	ZINC000595980158	348415266	/nfs/dbraw/zinc/41/52/66/348415266.db2.gz	GOEMCROHGQVXOV-GFCCVEGCSA-N	0	1	230.271	0.870	20	30		BCEDMN
CC(C)(N)c1noc(CN2CC[C@](C)(C#N)C2)n1	ZINC000595905074	348396162	/nfs/dbraw/zinc/39/61/62/348396162.db2.gz	PTXTXNCPQXGANB-GFCCVEGCSA-N	0	1	249.318	0.999	20	30		BCEDMN
C=C(C)CN1CCC[C@@H]1C(=O)NCC(=O)OC	ZINC000419341716	192125387	/nfs/dbraw/zinc/12/53/87/192125387.db2.gz	AWLKQRWKYIKXAB-SNVBAGLBSA-N	0	1	240.303	0.316	20	30		BCEDMN
CC(C)N1CCN(c2c(C#N)cnn2C)CC1	ZINC000596074276	348437946	/nfs/dbraw/zinc/43/79/46/348437946.db2.gz	DEBVEIOXCWJDHY-UHFFFAOYSA-N	0	1	233.319	0.822	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(C[C@@H]2C[C@H]3C[C@H]3C2)c1=O	ZINC000596021124	348423714	/nfs/dbraw/zinc/42/37/14/348423714.db2.gz	NXWMAMBQGNUHNE-AYMMMOKOSA-N	0	1	231.255	0.454	20	30		BCEDMN
C[C@@H]1CN(c2c(C#N)cnn2C)C[C@H](C)N1C	ZINC000596247288	348486967	/nfs/dbraw/zinc/48/69/67/348486967.db2.gz	NBFDTPUBNONDRT-AOOOYVTPSA-N	0	1	233.319	0.821	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)cnn1	ZINC000596177125	348462375	/nfs/dbraw/zinc/46/23/75/348462375.db2.gz	DZFREFOFKXKWHA-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN(Cc1cnc[nH]1)C(=O)NCC1(C#N)CC1	ZINC000596588225	348588012	/nfs/dbraw/zinc/58/80/12/348588012.db2.gz	WRNJDCTZLAMGAD-UHFFFAOYSA-N	0	1	233.275	0.855	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)[C@@H](C)CC#N	ZINC000596736619	348614497	/nfs/dbraw/zinc/61/44/97/348614497.db2.gz	QOYILDLQIMEJDY-ZETCQYMHSA-N	0	1	206.249	0.884	20	30		BCEDMN
C[C@H](CC#N)C(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000597505152	348745464	/nfs/dbraw/zinc/74/54/64/348745464.db2.gz	NQMBQOCZIQNVGW-HTQZYQBOSA-N	0	1	236.279	0.311	20	30		BCEDMN
N#C[C@@H](CO)NC(=O)c1[nH]nc2c1CCCCC2	ZINC000597742555	348807963	/nfs/dbraw/zinc/80/79/63/348807963.db2.gz	NKWDWGVLVGLJBW-QMMMGPOBSA-N	0	1	248.286	0.293	20	30		BCEDMN
Cc1cc(C(=O)N2CC(CC#N)C2)n[nH]1	ZINC000598036643	348872293	/nfs/dbraw/zinc/87/22/93/348872293.db2.gz	MQHVDYTZIJPBLP-UHFFFAOYSA-N	0	1	204.233	0.704	20	30		BCEDMN
CN(C[C@H](O)CC(C)(C)C#N)[C@H]1CCNC1=O	ZINC000598598199	348992118	/nfs/dbraw/zinc/99/21/18/348992118.db2.gz	BLAFRXGSKQDEDO-ZJUUUORDSA-N	0	1	239.319	0.107	20	30		BCEDMN
CCNC(=O)CN(C)C[C@@H](O)CC(C)(C)C#N	ZINC000598585438	348995189	/nfs/dbraw/zinc/99/51/89/348995189.db2.gz	CWUVLANWQMFMKM-JTQLQIEISA-N	0	1	241.335	0.355	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1	ZINC000598414081	348968049	/nfs/dbraw/zinc/96/80/49/348968049.db2.gz	YDBONVZNABJEHU-ZYHUDNBSSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1	ZINC000598414081	348968051	/nfs/dbraw/zinc/96/80/51/348968051.db2.gz	YDBONVZNABJEHU-ZYHUDNBSSA-N	0	1	221.304	0.843	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000598743464	349036993	/nfs/dbraw/zinc/03/69/93/349036993.db2.gz	BEDNLQHUVAEVNX-SNVBAGLBSA-N	0	1	238.247	0.673	20	30		BCEDMN
N#Cc1ncccc1NCCN1CC[C@H](O)C1	ZINC000599199195	349116529	/nfs/dbraw/zinc/11/65/29/349116529.db2.gz	GXYCYCGVKWGTGE-JTQLQIEISA-N	0	1	232.287	0.432	20	30		BCEDMN
C[C@@H]1C[C@H]1CN1CCN(C(=O)CC#N)CC1	ZINC000599434268	349174165	/nfs/dbraw/zinc/17/41/65/349174165.db2.gz	WPPMIFMJRLWSRU-MNOVXSKESA-N	0	1	221.304	0.700	20	30		BCEDMN
C[C@@H](c1cccc(C#N)c1)N1C[C@H](O)[C@@H](O)C1	ZINC000599531737	349210610	/nfs/dbraw/zinc/21/06/10/349210610.db2.gz	MKVHEMKKUGJESV-XDTLVQLUSA-N	0	1	232.283	0.657	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)C(C)(C)C#N	ZINC000044752749	179850104	/nfs/dbraw/zinc/85/01/04/179850104.db2.gz	RWDBGJQPAHCRKZ-UHFFFAOYSA-N	0	1	206.249	0.884	20	30		BCEDMN
CN(C(=O)CCc1c[nH]nn1)[C@@H]1CCC[C@@H]1C#N	ZINC000601801730	349340389	/nfs/dbraw/zinc/34/03/89/349340389.db2.gz	PXYLXAZMLGUQEX-MWLCHTKSSA-N	0	1	247.302	0.888	20	30		BCEDMN
CN(C(=O)CCc1cnn[nH]1)[C@@H]1CCC[C@@H]1C#N	ZINC000601801730	349340390	/nfs/dbraw/zinc/34/03/90/349340390.db2.gz	PXYLXAZMLGUQEX-MWLCHTKSSA-N	0	1	247.302	0.888	20	30		BCEDMN
CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCC[C@@H]1C#N	ZINC000601802594	349340550	/nfs/dbraw/zinc/34/05/50/349340550.db2.gz	VCFKAZVVEFUSEN-RKDXNWHRSA-N	0	1	248.290	0.283	20	30		BCEDMN
CN(C(=O)CCc1nn[nH]n1)[C@@H]1CCC[C@H]1C#N	ZINC000601802592	349340858	/nfs/dbraw/zinc/34/08/58/349340858.db2.gz	VCFKAZVVEFUSEN-DTWKUNHWSA-N	0	1	248.290	0.283	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1	ZINC000601646772	349314109	/nfs/dbraw/zinc/31/41/09/349314109.db2.gz	DOQCILMTJGZNNL-DTWKUNHWSA-N	0	1	233.275	0.546	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1	ZINC000601646772	349314111	/nfs/dbraw/zinc/31/41/11/349314111.db2.gz	DOQCILMTJGZNNL-DTWKUNHWSA-N	0	1	233.275	0.546	20	30		BCEDMN
CC(=O)N[C@H]1C(C)=NN([C@@H](C)CC#N)C1=O	ZINC000601934745	349388770	/nfs/dbraw/zinc/38/87/70/349388770.db2.gz	DVXSMNAPIHLWBU-RCOVLWMOSA-N	0	1	222.248	0.011	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n([C@H](C)CC#N)c1=O	ZINC000601935616	349389510	/nfs/dbraw/zinc/38/95/10/349389510.db2.gz	LEKHNNHZVHRTQT-APPZFPTMSA-N	0	1	237.259	0.686	20	30		BCEDMN
COC(=O)Cc1c[nH]n([C@@H](C)CC#N)c1=O	ZINC000601936082	349390629	/nfs/dbraw/zinc/39/06/29/349390629.db2.gz	PAKHPWKDWVKSOQ-JGVFFNPUSA-N	0	1	223.232	0.296	20	30		BCEDMN
C=C(C)Cn1[nH]c(C)c(CC(=O)OC)c1=O	ZINC000601941390	349392849	/nfs/dbraw/zinc/39/28/49/349392849.db2.gz	VTGNRDQPWFXVOF-SECBINFHSA-N	0	1	224.260	0.960	20	30		BCEDMN
CCOC(=O)Cn1[nH]c(C)c(CCC#N)c1=O	ZINC000601953673	349398362	/nfs/dbraw/zinc/39/83/62/349398362.db2.gz	NDKYQSXHVKBRLC-VIFPVBQESA-N	0	1	237.259	0.688	20	30		BCEDMN
N#CCC[C@@H](C#N)CN[C@H]1CCC[C@@H]1O	ZINC000601969635	349406665	/nfs/dbraw/zinc/40/66/65/349406665.db2.gz	RKFVEDGDWQBTOH-DCAQKATOSA-N	0	1	207.277	0.933	20	30		BCEDMN
COC(=O)Cc1cc(=O)n(CCC#N)[nH]1	ZINC000601932996	349386711	/nfs/dbraw/zinc/38/67/11/349386711.db2.gz	WIEWQUTYXQRTKM-UHFFFAOYSA-N	0	1	209.205	0.051	20	30		BCEDMN
Cc1nc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000353262054	180034523	/nfs/dbraw/zinc/03/45/23/180034523.db2.gz	RVZCMADJWYXWPC-ZCFIWIBFSA-N	0	1	244.258	0.804	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(CCCCO)CC1	ZINC000609484463	350174405	/nfs/dbraw/zinc/17/44/05/350174405.db2.gz	CFBYCEMHTZGXLF-ZDUSSCGKSA-N	0	1	239.363	0.925	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCN(C)C[C@@H]1CC	ZINC000563994827	323342172	/nfs/dbraw/zinc/34/21/72/323342172.db2.gz	SQTZCNVQAHVUAP-WCQYABFASA-N	0	1	240.347	0.866	20	30		BCEDMN
CCN1CCN(c2ccnc(C#N)n2)CC1	ZINC000309356466	323344104	/nfs/dbraw/zinc/34/41/04/323344104.db2.gz	NJJNCPSMAOOAKG-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
CCCc1cc(C(=O)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000106049664	350700971	/nfs/dbraw/zinc/70/09/71/350700971.db2.gz	AERSJLMVGDZVEK-JTQLQIEISA-N	0	1	248.286	0.727	20	30		BCEDMN
C=C(Cl)CN1CCN(C(=O)CN(C)C)CC1	ZINC000051762870	350827853	/nfs/dbraw/zinc/82/78/53/350827853.db2.gz	DMYJVKCSCSBCPU-UHFFFAOYSA-N	0	1	245.754	0.445	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCc1c[nH]nn1	ZINC000398414766	351142583	/nfs/dbraw/zinc/14/25/83/351142583.db2.gz	VMWINXMQHFESHB-VIFPVBQESA-N	0	1	207.237	0.361	20	30		BCEDMN
C=C[C@H](CO)NCc1c2c(nn1C)CCCC2	ZINC000631178253	351375513	/nfs/dbraw/zinc/37/55/13/351375513.db2.gz	VKULZWPXVPNOFO-SNVBAGLBSA-N	0	1	235.331	0.935	20	30		BCEDMN
CCc1nc(CN(C)C[C@@H](C)C#N)n[nH]1	ZINC000274646456	351575634	/nfs/dbraw/zinc/57/56/34/351575634.db2.gz	MANZVQUEYBOYJG-QMMMGPOBSA-N	0	1	207.281	0.959	20	30		BCEDMN
CN(C)CC(=O)N1Cc2cccc(C#N)c2C1	ZINC000405061437	351575887	/nfs/dbraw/zinc/57/58/87/351575887.db2.gz	OQNOYAGSCOJTEL-UHFFFAOYSA-N	0	1	229.283	0.962	20	30		BCEDMN
N#CC1(CNC(=O)CCCCc2cn[nH]n2)CC1	ZINC000577699444	366038435	/nfs/dbraw/zinc/03/84/35/366038435.db2.gz	VYWXWXGGSHNUFZ-UHFFFAOYSA-N	0	1	247.302	0.937	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@]1(C)CNCCO1	ZINC000638010780	351887058	/nfs/dbraw/zinc/88/70/58/351887058.db2.gz	NKEFQQBWCXNARZ-LBPRGKRZSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCCCN(C)C(=O)c1cnc(CN)nc1	ZINC000638012486	351888570	/nfs/dbraw/zinc/88/85/70/351888570.db2.gz	XJWCZJKWRHBVOE-UHFFFAOYSA-N	0	1	234.303	0.974	20	30		BCEDMN
N#CCN1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000284435133	351997467	/nfs/dbraw/zinc/99/74/67/351997467.db2.gz	YVTZAVAOSZCTIV-SSDOTTSWSA-N	0	1	208.221	0.066	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CCOCC	ZINC000277879142	187579217	/nfs/dbraw/zinc/57/92/17/187579217.db2.gz	YZYBDXKJYMMIDP-GFCCVEGCSA-N	0	1	209.289	0.342	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)[C@@H]1CCNC1=O	ZINC000340222153	352078370	/nfs/dbraw/zinc/07/83/70/352078370.db2.gz	NJJQIQYZHYDPQY-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)NC[C@@H]1COCCN1	ZINC000627027103	363120559	/nfs/dbraw/zinc/12/05/59/363120559.db2.gz	IXLVNYGKCGOHDR-GHMZBOCLSA-N	0	1	241.335	0.629	20	30		BCEDMN
CC[N@H+]1CCN(C(=O)[C@H](C)C#N)C[C@H]1C	ZINC000250383571	363172931	/nfs/dbraw/zinc/17/29/31/363172931.db2.gz	XFLYWPOSPDMTQR-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C=CC(C)(C)CCNC(=O)[C@@H]1CNCCO1	ZINC000638454240	352267492	/nfs/dbraw/zinc/26/74/92/352267492.db2.gz	DXYZXTKHLPMYEB-JTQLQIEISA-N	0	1	226.320	0.693	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)[C@@H]2CNCCO2)C1	ZINC000638471275	352281869	/nfs/dbraw/zinc/28/18/69/352281869.db2.gz	AEFKVFOPXXLGFS-MNOVXSKESA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1	ZINC000638621355	352461218	/nfs/dbraw/zinc/46/12/18/352461218.db2.gz	WGZUALXKBNCNGA-WDEREUQCSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCNC(=O)CN(CC(C)(C)O)C1CC1	ZINC000189899671	166364768	/nfs/dbraw/zinc/36/47/68/166364768.db2.gz	ROQUAYSPWBMSCP-UHFFFAOYSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000032015187	166364782	/nfs/dbraw/zinc/36/47/82/166364782.db2.gz	OVONRNUVBWJEJD-VIFPVBQESA-N	0	1	226.276	0.085	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H]1CCC[C@H]1O	ZINC000352659910	166366150	/nfs/dbraw/zinc/36/61/50/166366150.db2.gz	LOHGRQISMHDMRO-VHSXEESVSA-N	0	1	212.293	0.134	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](O)C1	ZINC000052875823	353125056	/nfs/dbraw/zinc/12/50/56/353125056.db2.gz	RAGIHTXFWOWLJB-MNOVXSKESA-N	0	1	239.319	0.204	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@](C)(C(=O)OC)C1	ZINC000177463531	166367799	/nfs/dbraw/zinc/36/77/99/166367799.db2.gz	YZKPWMIMTCJRFJ-LBPRGKRZSA-N	0	1	240.303	0.174	20	30		BCEDMN
C#CC[N@H+](C[C@H](O)Cn1cccn1)C1CC1	ZINC000274155864	188027372	/nfs/dbraw/zinc/02/73/72/188027372.db2.gz	LNLCUGNANUMQNT-LBPRGKRZSA-N	0	1	219.288	0.342	20	30		BCEDMN
CC(=O)NC1CN(C(=O)CCc2cnc[nH]2)C1	ZINC000329530883	538109205	/nfs/dbraw/zinc/10/92/05/538109205.db2.gz	VZQMJYTYLRDSPT-UHFFFAOYSA-N	0	1	236.275	0.530	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(CC(C)(C)O)CC1	ZINC000609538116	353166438	/nfs/dbraw/zinc/16/64/38/353166438.db2.gz	HVVUHXPWUXVARC-GFCCVEGCSA-N	0	1	239.363	0.923	20	30		BCEDMN
Cc1cc(C[C@@H](C)NC(=O)CC#N)n[nH]1	ZINC000331066334	353215173	/nfs/dbraw/zinc/21/51/73/353215173.db2.gz	YISUJGAAPKRFMT-SSDOTTSWSA-N	0	1	206.249	0.679	20	30		BCEDMN
CC1=CCN(CCNC(=O)CC#N)CC1	ZINC000331086856	353216944	/nfs/dbraw/zinc/21/69/44/353216944.db2.gz	RQUFPUXPQMLZPP-UHFFFAOYSA-N	0	1	207.277	0.668	20	30		BCEDMN
CCN(C(=O)NCCc1nc[nH]n1)C(C)C	ZINC000330907400	353198516	/nfs/dbraw/zinc/19/85/16/353198516.db2.gz	SWYITTVLOLANGC-UHFFFAOYSA-N	0	1	225.296	0.992	20	30		BCEDMN
CSC[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000331160637	353223556	/nfs/dbraw/zinc/22/35/56/353223556.db2.gz	FEOIQRLASRPUPG-JTQLQIEISA-N	0	1	241.360	0.701	20	30		BCEDMN
O=C(NCCF)NCCCn1ccnn1	ZINC000331252468	353238259	/nfs/dbraw/zinc/23/82/59/353238259.db2.gz	YUQZAMZXASQIMQ-UHFFFAOYSA-N	0	1	215.232	0.141	20	30		BCEDMN
C#CCN(CC#C)C(=O)CN(CC)C1CC1	ZINC000126301524	353247472	/nfs/dbraw/zinc/24/74/72/353247472.db2.gz	CQTMQHYYIAECIO-UHFFFAOYSA-N	0	1	218.300	0.566	20	30		BCEDMN
CC[C@H](C)[C@](C)(O)CNC(=O)c1cnn[nH]1	ZINC000331263145	353239392	/nfs/dbraw/zinc/23/93/92/353239392.db2.gz	NLDUISVDRNMEKO-OIBJUYFYSA-N	0	1	226.280	0.906	20	30		BCEDMN
CC#CCN[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000272969036	188262820	/nfs/dbraw/zinc/26/28/20/188262820.db2.gz	GYRVDZYVMCCKLV-GFCCVEGCSA-N	0	1	234.274	0.835	20	30		BCEDMN
C=CC[C@H](CO)Nc1ncnc2[nH]cnc21	ZINC000273181433	188263185	/nfs/dbraw/zinc/26/31/85/188263185.db2.gz	BAQRQRLOZHSAOT-SSDOTTSWSA-N	0	1	219.248	0.702	20	30		BCEDMN
CC#CCCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000274745176	188265142	/nfs/dbraw/zinc/26/51/42/188265142.db2.gz	GKUBTZVEINAQFE-SNVBAGLBSA-N	0	1	249.318	0.955	20	30		BCEDMN
CC(C)(O)CNCc1nc(C#N)cs1	ZINC000336685882	188341498	/nfs/dbraw/zinc/34/14/98/188341498.db2.gz	LHQIZXKPZIDGOQ-UHFFFAOYSA-N	0	1	211.290	0.875	20	30		BCEDMN
COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)C1	ZINC000398968964	353400681	/nfs/dbraw/zinc/40/06/81/353400681.db2.gz	UQEXIWRVMQIRDT-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
COCCN1CCC[C@H](NC(=O)[C@@H](C)C#N)C1	ZINC000398968964	353400684	/nfs/dbraw/zinc/40/06/84/353400684.db2.gz	UQEXIWRVMQIRDT-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn[nH]1	ZINC000281496307	353449335	/nfs/dbraw/zinc/44/93/35/353449335.db2.gz	QJCPGSPNRPWZSE-PSASIEDQSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=CCCN(C)Cc1ccc(S(N)(=O)=O)o1	ZINC000639091764	353453899	/nfs/dbraw/zinc/45/38/99/353453899.db2.gz	RPOOCKPOAFSBNH-UHFFFAOYSA-N	0	1	244.316	0.935	20	30		BCEDMN
CC(C)(O)CON=c1[nH]ccnc1C#N	ZINC000278677376	188382169	/nfs/dbraw/zinc/38/21/69/188382169.db2.gz	KOSKQZOGKPKYOD-UHFFFAOYSA-N	0	1	208.221	0.463	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@H](C)OC)C1=O	ZINC000281199724	353437889	/nfs/dbraw/zinc/43/78/89/353437889.db2.gz	CHROFIJWXCVFCP-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCOCC	ZINC000093313864	353484617	/nfs/dbraw/zinc/48/46/17/353484617.db2.gz	SGXGYHOXBFSOJO-SNVBAGLBSA-N	0	1	212.293	0.093	20	30		BCEDMN
C#C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C	ZINC000282295423	353473432	/nfs/dbraw/zinc/47/34/32/353473432.db2.gz	XKQFKAWFYNFXDG-SSDOTTSWSA-N	0	1	236.231	0.706	20	30		BCEDMN
C=CC[N@H+](CCC)[C@H]1CC(=O)N(C)C1=O	ZINC000282463347	353480066	/nfs/dbraw/zinc/48/00/66/353480066.db2.gz	KAVPCIJUKHMIJZ-VIFPVBQESA-N	0	1	210.277	0.642	20	30		BCEDMN
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CC#CCCN(CCC)[C@H]1CC(=O)N(C)C1=O	ZINC000282482472	353480708	/nfs/dbraw/zinc/48/07/08/353480708.db2.gz	LVHPLZZACJOUQX-NSHDSACASA-N	0	1	236.315	0.869	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000284487014	353513521	/nfs/dbraw/zinc/51/35/21/353513521.db2.gz	CHLQDZCESAIZJL-IUCAKERBSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000284487014	353513524	/nfs/dbraw/zinc/51/35/24/353513524.db2.gz	CHLQDZCESAIZJL-IUCAKERBSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H](C)c1nnc[nH]1	ZINC000183200934	353519716	/nfs/dbraw/zinc/51/97/16/353519716.db2.gz	BCCQZVUSBGMHDZ-SSDOTTSWSA-N	0	1	230.293	0.361	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@@H](O)C1	ZINC000061707758	353523119	/nfs/dbraw/zinc/52/31/19/353523119.db2.gz	DGXTUHPHBJGYQV-LLVKDONJSA-N	0	1	224.304	0.254	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000285302214	353533295	/nfs/dbraw/zinc/53/32/95/353533295.db2.gz	HHENBYWWLIMZGJ-ZETCQYMHSA-N	0	1	244.320	0.670	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H](C)c1cnn(C)c1C	ZINC000183354328	353541083	/nfs/dbraw/zinc/54/10/83/353541083.db2.gz	GARRJXBLBUGYCS-ZJUUUORDSA-N	0	1	248.330	0.517	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCc1cn[nH]c1C	ZINC000286518554	353562616	/nfs/dbraw/zinc/56/26/16/353562616.db2.gz	FNAAGKODCVNLKK-UHFFFAOYSA-N	0	1	229.305	0.714	20	30		BCEDMN
CN(CC#Cc1ccccc1)CCC(N)=O	ZINC000286539800	353563176	/nfs/dbraw/zinc/56/31/76/353563176.db2.gz	RSFOTHYWLGOBHA-UHFFFAOYSA-N	0	1	216.284	0.845	20	30		BCEDMN
CC#CC[N@@H+]1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000289543580	353632645	/nfs/dbraw/zinc/63/26/45/353632645.db2.gz	WVKSHZHBWVBZOC-VIFPVBQESA-N	0	1	220.276	0.301	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000289543580	353632647	/nfs/dbraw/zinc/63/26/47/353632647.db2.gz	WVKSHZHBWVBZOC-VIFPVBQESA-N	0	1	220.276	0.301	20	30		BCEDMN
C=C[C@@H](CO)NCc1ccnn1CCCOC	ZINC000289789783	353635234	/nfs/dbraw/zinc/63/52/34/353635234.db2.gz	KBFGWAHEOWPSSK-NSHDSACASA-N	0	1	239.319	0.556	20	30		BCEDMN
C#C[C@H](NCc1cnnn1C)C(C)(C)C	ZINC000290178519	353650919	/nfs/dbraw/zinc/65/09/19/353650919.db2.gz	NNTMCAOHJKVLFY-JTQLQIEISA-N	0	1	206.293	0.953	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1CCCN1C1CC1	ZINC000290655548	353666814	/nfs/dbraw/zinc/66/68/14/353666814.db2.gz	RHQUIQRQRLEHID-MWLCHTKSSA-N	0	1	224.304	0.276	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1CC	ZINC000290686053	353668321	/nfs/dbraw/zinc/66/83/21/353668321.db2.gz	ULFUNPLZMGQSFY-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CCCCN1CC	ZINC000290686053	353668324	/nfs/dbraw/zinc/66/83/24/353668324.db2.gz	ULFUNPLZMGQSFY-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)CN(CC)C1CC1	ZINC000290708679	353668714	/nfs/dbraw/zinc/66/87/14/353668714.db2.gz	WPHDWUJNQYBPOK-VIFPVBQESA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000184444479	353672539	/nfs/dbraw/zinc/67/25/39/353672539.db2.gz	NBGBLIQTWLCFTG-SNVBAGLBSA-N	0	1	249.314	0.814	20	30		BCEDMN
C=C[C@H](O)C(=O)Nc1cc(N(C)C)ccn1	ZINC000613442398	363253239	/nfs/dbraw/zinc/25/32/39/363253239.db2.gz	HQPWDIUEJHEUGC-VIFPVBQESA-N	0	1	221.260	0.633	20	30		BCEDMN
C#CCN(C)C(=O)NCc1cn[nH]c1C	ZINC000292656165	353719527	/nfs/dbraw/zinc/71/95/27/353719527.db2.gz	YWEVFVDHKOHNCE-UHFFFAOYSA-N	0	1	206.249	0.493	20	30		BCEDMN
CC#CCN1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000292888208	353728755	/nfs/dbraw/zinc/72/87/55/353728755.db2.gz	FPBGJZHYAVJSDV-GFCCVEGCSA-N	0	1	234.303	0.431	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C	ZINC000293547840	353748103	/nfs/dbraw/zinc/74/81/03/353748103.db2.gz	YRGSLOKJNRGOMD-UTLUCORTSA-N	0	1	239.319	0.727	20	30		BCEDMN
C=CCC(F)(F)C(=O)Nc1nn[nH]n1	ZINC000293588598	353749587	/nfs/dbraw/zinc/74/95/87/353749587.db2.gz	CNXOECCWJQCPCD-UHFFFAOYSA-N	0	1	203.152	0.350	20	30		BCEDMN
CC#CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1	ZINC000293040619	353736461	/nfs/dbraw/zinc/73/64/61/353736461.db2.gz	GZOCEBHHFPAGQB-UHFFFAOYSA-N	0	1	222.248	0.746	20	30		BCEDMN
CC#CCN(C)CCn1cc([N+](=O)[O-])cn1	ZINC000293040619	353736463	/nfs/dbraw/zinc/73/64/63/353736463.db2.gz	GZOCEBHHFPAGQB-UHFFFAOYSA-N	0	1	222.248	0.746	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000293408568	353743005	/nfs/dbraw/zinc/74/30/05/353743005.db2.gz	HYZREUQSLZZVIF-PHIMTYICSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@H](SC)C1	ZINC000296075978	353817208	/nfs/dbraw/zinc/81/72/08/353817208.db2.gz	CEDRDGORRCPADZ-VIFPVBQESA-N	0	1	214.334	0.726	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](SC)C1	ZINC000296075978	353817211	/nfs/dbraw/zinc/81/72/11/353817211.db2.gz	CEDRDGORRCPADZ-VIFPVBQESA-N	0	1	214.334	0.726	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)NCC(F)F	ZINC000296562416	353828437	/nfs/dbraw/zinc/82/84/37/353828437.db2.gz	RNDQPZOWBQGOQW-UHFFFAOYSA-N	0	1	233.262	0.506	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000294928675	353793197	/nfs/dbraw/zinc/79/31/97/353793197.db2.gz	LGPPFMIPDLIAAW-MWLCHTKSSA-N	0	1	247.298	0.942	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000186080186	353870715	/nfs/dbraw/zinc/87/07/15/353870715.db2.gz	YRMPRYVNJPWICN-DTWKUNHWSA-N	0	1	234.303	0.970	20	30		BCEDMN
C=C(C)CNC(=O)NCc1n[nH]c(CC)n1	ZINC000297273424	353847200	/nfs/dbraw/zinc/84/72/00/353847200.db2.gz	FUFKGPQMQLYTQJ-UHFFFAOYSA-N	0	1	223.280	0.742	20	30		BCEDMN
C=CCOCC(=O)N[C@@H](CCC)c1nn[nH]n1	ZINC000343765150	353978923	/nfs/dbraw/zinc/97/89/23/353978923.db2.gz	NQEUMFBPQCDMFO-QMMMGPOBSA-N	0	1	239.279	0.360	20	30		BCEDMN
CC#CCCCC(=O)NCCc1nc[nH]n1	ZINC000343902668	354054951	/nfs/dbraw/zinc/05/49/51/354054951.db2.gz	VRRAGJLBEQCWOR-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CCC2)c1=O	ZINC000335478032	181078910	/nfs/dbraw/zinc/07/89/10/181078910.db2.gz	HOFOGOADEVAQJG-UHFFFAOYSA-N	0	1	205.217	0.208	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@@H](O)C2(CC2)C1	ZINC000368800371	166389344	/nfs/dbraw/zinc/38/93/44/166389344.db2.gz	NSZBGHFWOYHHPH-VHSXEESVSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=CCOCC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000344342812	354237210	/nfs/dbraw/zinc/23/72/10/354237210.db2.gz	BFMMKHHVRSFBJF-VIFPVBQESA-N	0	1	235.287	0.586	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CCC#N)C1	ZINC000332375714	134004422	/nfs/dbraw/zinc/00/44/22/134004422.db2.gz	NDZRILMXZYZWAX-ZJUUUORDSA-N	0	1	235.291	0.789	20	30		BCEDMN
N#Cc1ccc(CNC[C@H](O)CO)c(F)c1	ZINC000083353112	181109499	/nfs/dbraw/zinc/10/94/99/181109499.db2.gz	NSKNICKJEYFQRQ-JTQLQIEISA-N	0	1	224.235	0.140	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](CO)C2)o1	ZINC000092763684	181105912	/nfs/dbraw/zinc/10/59/12/181105912.db2.gz	LKCWXHADLBLIHA-VIFPVBQESA-N	0	1	206.245	0.965	20	30		BCEDMN
CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000344707250	354352952	/nfs/dbraw/zinc/35/29/52/354352952.db2.gz	PXUMSTGJPSFFRZ-CIUDSAMLSA-N	0	1	226.276	0.850	20	30		BCEDMN
N#Cc1ccc(CNCC(=O)NC2CC2)s1	ZINC000135496307	181107296	/nfs/dbraw/zinc/10/72/96/181107296.db2.gz	BVZYJMDVZVLDFA-UHFFFAOYSA-N	0	1	235.312	0.988	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@]1(C#N)CC1(C)C	ZINC000334631328	354374476	/nfs/dbraw/zinc/37/44/76/354374476.db2.gz	MNVBGUZOVLFGFR-SKDRFNHKSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)CCCCC#N	ZINC000344918540	354387274	/nfs/dbraw/zinc/38/72/74/354387274.db2.gz	ROIUOWVWSCZLBS-JTQLQIEISA-N	0	1	247.364	0.550	20	30		BCEDMN
N#Cc1ccc(NC(=O)NCc2nnc[nH]2)cc1	ZINC000037901935	181118748	/nfs/dbraw/zinc/11/87/48/181118748.db2.gz	YGIXSNBCLQNYPA-UHFFFAOYSA-N	0	1	242.242	0.998	20	30		BCEDMN
CCN(CC(=O)NC[C@H](C)C#N)C1CC1	ZINC000179046936	366201239	/nfs/dbraw/zinc/20/12/39/366201239.db2.gz	BOYKERIOYJZBOX-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1ccc(C#N)c(N)n1	ZINC000578026577	366192259	/nfs/dbraw/zinc/19/22/59/366192259.db2.gz	YMKIAMJTTKKOJW-VIFPVBQESA-N	0	1	231.303	0.676	20	30		BCEDMN
N#Cc1nccnc1N1CC[C@H](N2CC=CC2)C1	ZINC000266242468	181174029	/nfs/dbraw/zinc/17/40/29/181174029.db2.gz	LPOSGVWMHMAEHA-NSHDSACASA-N	0	1	241.298	0.799	20	30		BCEDMN
C=CCCN(C)C(=O)CN1CCN(CC)CC1	ZINC000346838914	355132410	/nfs/dbraw/zinc/13/24/10/355132410.db2.gz	XVWMEVGZOYDSRW-UHFFFAOYSA-N	0	1	239.363	0.658	20	30		BCEDMN
COCCCN(C)CC(=O)NC1(C#N)CCC1	ZINC000346838032	355132465	/nfs/dbraw/zinc/13/24/65/355132465.db2.gz	DZSNBSHFPDQORN-UHFFFAOYSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=CCCOCC(=O)N(C)Cc1nnc[nH]1	ZINC000608375083	355387542	/nfs/dbraw/zinc/38/75/42/355387542.db2.gz	FYCNYPMTAYRKNS-UHFFFAOYSA-N	0	1	224.264	0.356	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCOC1	ZINC000107693377	355824967	/nfs/dbraw/zinc/82/49/67/355824967.db2.gz	MPPXELUCVBBERD-NSHDSACASA-N	0	1	226.320	0.647	20	30		BCEDMN
C=CCNC(=O)CN(CC)CCOCC	ZINC000107679855	355825023	/nfs/dbraw/zinc/82/50/23/355825023.db2.gz	NTVRKWIRFKKZDC-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](C(=O)OC)C1	ZINC000107822870	355830633	/nfs/dbraw/zinc/83/06/33/355830633.db2.gz	DQNQWOMLQFRTOR-UWVGGRQHSA-N	0	1	240.303	0.172	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCc2nc[nH]n2)s1	ZINC000345707584	355930676	/nfs/dbraw/zinc/93/06/76/355930676.db2.gz	VMALCBFXDIENTP-UHFFFAOYSA-N	0	1	247.283	0.710	20	30		BCEDMN
C[C@@H]1CN(CCCNC(=O)CC#N)C[C@H](C)O1	ZINC000330915552	355993907	/nfs/dbraw/zinc/99/39/07/355993907.db2.gz	ZBXGQLLTVUACDY-PHIMTYICSA-N	0	1	239.319	0.516	20	30		BCEDMN
CC1CCN(CC(=O)N(C)CC#N)CC1	ZINC000336064636	134069932	/nfs/dbraw/zinc/06/99/32/134069932.db2.gz	SPAVSZYKMDODQB-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
O=C(NC1CCCC1)N1CCn2ncnc2C1	ZINC000329921477	356144960	/nfs/dbraw/zinc/14/49/60/356144960.db2.gz	FTFUVWHPPKVYPF-UHFFFAOYSA-N	0	1	235.291	0.950	20	30		BCEDMN
C=CCN(C(=O)CN(C)C)[C@H](C)COC	ZINC000617578653	356146768	/nfs/dbraw/zinc/14/67/68/356146768.db2.gz	NXENEXHSHDSUEG-SNVBAGLBSA-N	0	1	214.309	0.598	20	30		BCEDMN
C[C@@H]1CN(CC(=O)NCC#N)CC(C)(C)C1	ZINC000336351217	356346405	/nfs/dbraw/zinc/34/64/05/356346405.db2.gz	DDQKWWPGAUDEJE-JTQLQIEISA-N	0	1	223.320	0.994	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)C[C@@H]1CCCN1C	ZINC000420772754	192259060	/nfs/dbraw/zinc/25/90/60/192259060.db2.gz	VDHHOBUEUWVMKW-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(Cc2nnc[nH]2)CC1	ZINC000639720729	356618662	/nfs/dbraw/zinc/61/86/62/356618662.db2.gz	IGDYNIJFIUYDJF-GFCCVEGCSA-N	0	1	247.346	0.724	20	30		BCEDMN
CNC(=O)[C@H]1CCCN1CC1(CC#N)CC1	ZINC000088259379	356647364	/nfs/dbraw/zinc/64/73/64/356647364.db2.gz	NXIZEPIMQMRMQP-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
CN(CC(=O)NCC#N)C[C@H]1CCCC[C@@H]1O	ZINC000305815095	134160587	/nfs/dbraw/zinc/16/05/87/134160587.db2.gz	OABJLSMXWXRKCP-MNOVXSKESA-N	0	1	239.319	0.109	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCO	ZINC000355443179	134173255	/nfs/dbraw/zinc/17/32/55/134173255.db2.gz	LJXXCVNABUAWQQ-ZYHUDNBSSA-N	0	1	241.335	0.353	20	30		BCEDMN
C=CCOCC(=O)NC1(c2nnc[nH]2)CCC1	ZINC000357021816	134181447	/nfs/dbraw/zinc/18/14/47/134181447.db2.gz	FYJHMTYFSBSJDA-UHFFFAOYSA-N	0	1	236.275	0.503	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000357049023	134181839	/nfs/dbraw/zinc/18/18/39/134181839.db2.gz	GTJITYHRYCTNCY-MRVPVSSYSA-N	0	1	235.291	0.907	20	30		BCEDMN
Cc1nc([C@H](C)Nc2ccncc2C#N)n[nH]1	ZINC000399503820	356960576	/nfs/dbraw/zinc/96/05/76/356960576.db2.gz	JLQDYLKIIXNFBG-ZETCQYMHSA-N	0	1	228.259	0.975	20	30		BCEDMN
CC(C#N)C(=O)N(C)CC(=O)OC(C)(C)C	ZINC000357815585	134185512	/nfs/dbraw/zinc/18/55/12/134185512.db2.gz	YIZHRLNYAQFMCY-QMMMGPOBSA-N	0	1	226.276	0.946	20	30		BCEDMN
CN1CCN(CC#Cc2ccccc2)[C@H](CO)C1	ZINC000639872554	357043895	/nfs/dbraw/zinc/04/38/95/357043895.db2.gz	RKIZVANUNBNYLI-HNNXBMFYSA-N	0	1	244.338	0.646	20	30		BCEDMN
CC#CCNC(=O)[C@@]1(N(C)C)CCCSC1	ZINC000367286263	134186024	/nfs/dbraw/zinc/18/60/24/134186024.db2.gz	NDWUVLLTZZRRSM-GFCCVEGCSA-N	0	1	240.372	0.953	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000358655597	134192082	/nfs/dbraw/zinc/19/20/82/134192082.db2.gz	ADDRAOIPNCSMMI-LOWVWBTDSA-N	0	1	240.347	0.865	20	30		BCEDMN
Cn1cc(N2CCC[C@@H](NCCC#N)C2)cn1	ZINC000583688862	357120533	/nfs/dbraw/zinc/12/05/33/357120533.db2.gz	HGVNAMICZRKYTL-LLVKDONJSA-N	0	1	233.319	0.892	20	30		BCEDMN
C=CCCC(=O)N1CCc2[nH]nnc2C1	ZINC000359748359	134196853	/nfs/dbraw/zinc/19/68/53/134196853.db2.gz	ZTRLNOKHNWSZEH-UHFFFAOYSA-N	0	1	206.249	0.656	20	30		BCEDMN
N#CC1(CNC[C@@H](O)Cn2cccn2)CC1	ZINC000582661143	357356637	/nfs/dbraw/zinc/35/66/37/357356637.db2.gz	QXYLADNMBCMKED-SNVBAGLBSA-N	0	1	220.276	0.137	20	30		BCEDMN
N#CCCN[C@@H]1CCN(CC(F)F)C1	ZINC000582959924	357438818	/nfs/dbraw/zinc/43/88/18/357438818.db2.gz	TZOINYILAFSOHY-MRVPVSSYSA-N	0	1	203.236	0.829	20	30		BCEDMN
C[C@@H](CC#N)N(C)CC[C@@H]1CCNC1=O	ZINC000395868349	357458399	/nfs/dbraw/zinc/45/83/99/357458399.db2.gz	WUDCTMSGOCTRAI-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000230418094	357524129	/nfs/dbraw/zinc/52/41/29/357524129.db2.gz	JRZLRIYFRNBQLI-OIBJUYFYSA-N	0	1	221.264	0.922	20	30		BCEDMN
C[C@H](O)CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000361505389	134205700	/nfs/dbraw/zinc/20/57/00/134205700.db2.gz	OCNJAHIZVATKMO-UWVGGRQHSA-N	0	1	239.319	0.250	20	30		BCEDMN
C[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@@H]1CO	ZINC000362088545	134208815	/nfs/dbraw/zinc/20/88/15/134208815.db2.gz	FPUAYTCQANULEY-GRYCIOLGSA-N	0	1	221.304	0.990	20	30		BCEDMN
CCN(CCCSCC#N)CC(N)=O	ZINC000191732434	357791299	/nfs/dbraw/zinc/79/12/99/357791299.db2.gz	BXBPIBLLUPSLFI-UHFFFAOYSA-N	0	1	215.322	0.440	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCOCC[C@H]2C)C1=O	ZINC000369195772	134221670	/nfs/dbraw/zinc/22/16/70/134221670.db2.gz	VVNPUZGUUOFBNU-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C#CCCN1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000371209498	134227748	/nfs/dbraw/zinc/22/77/48/134227748.db2.gz	URYMTGPEZFZNTE-VXGBXAGGSA-N	0	1	209.289	0.890	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO	ZINC000639935909	357936585	/nfs/dbraw/zinc/93/65/85/357936585.db2.gz	PSFUYWFIJZEQAI-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C)C[C@H]1CO	ZINC000639935909	357936586	/nfs/dbraw/zinc/93/65/86/357936586.db2.gz	PSFUYWFIJZEQAI-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
Cc1cc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000610491299	357954054	/nfs/dbraw/zinc/95/40/54/357954054.db2.gz	JEHMOFSQCRYDKV-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
N#Cc1ccsc1C(=O)NCc1c[nH]nn1	ZINC000610494477	357954400	/nfs/dbraw/zinc/95/44/00/357954400.db2.gz	MTKWCUSUBVYEBM-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
N#Cc1cccc(CN2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604205	358015949	/nfs/dbraw/zinc/01/59/49/358015949.db2.gz	HNPYBORLCHRELT-BETUJISGSA-N	0	1	232.283	0.486	20	30		BCEDMN
C=CCOCC[N@H+]1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000584535042	358044720	/nfs/dbraw/zinc/04/47/20/358044720.db2.gz	OKQMGKNYYNHNPP-ZJUUUORDSA-N	0	1	229.276	0.363	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)CC[C@@H](C)O	ZINC000075781764	325311758	/nfs/dbraw/zinc/31/17/58/325311758.db2.gz	LTBITJBDNLTZOV-LLVKDONJSA-N	0	1	241.335	0.451	20	30		BCEDMN
CC#CCNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000378575663	134246204	/nfs/dbraw/zinc/24/62/04/134246204.db2.gz	YORQRIYAWVHXEQ-YUMQZZPRSA-N	0	1	204.233	0.048	20	30		BCEDMN
CCN(CC)C(=[NH2+])NCc1ncccc1[O-]	ZINC000262453448	535390710	/nfs/dbraw/zinc/39/07/10/535390710.db2.gz	KJPVYKNXKHLJQV-UHFFFAOYSA-N	0	1	222.292	0.944	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CCc1cnc[nH]1	ZINC000356635951	535391967	/nfs/dbraw/zinc/39/19/67/535391967.db2.gz	PRMXEVRTEMAWIZ-QMMMGPOBSA-N	0	1	206.249	0.761	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000263786458	535396691	/nfs/dbraw/zinc/39/66/91/535396691.db2.gz	HORIDBFMONPKCY-ZETCQYMHSA-N	0	1	218.260	0.930	20	30		BCEDMN
CCNC(=O)C1(CNCCC#N)CCC1	ZINC000584835002	358197008	/nfs/dbraw/zinc/19/70/08/358197008.db2.gz	MOJAZMHLFOJTSC-UHFFFAOYSA-N	0	1	209.293	0.796	20	30		BCEDMN
CN(CCCO)Cc1ccc(C#N)cn1	ZINC000584847646	358201340	/nfs/dbraw/zinc/20/13/40/358201340.db2.gz	UBSGACPIMJBPPW-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(CCC#N)c1=O	ZINC000104705284	358350771	/nfs/dbraw/zinc/35/07/71/358350771.db2.gz	GRIDWMRRRUSDMA-MRVPVSSYSA-N	0	1	223.232	0.297	20	30		BCEDMN
C=C(C)CNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000613664332	363614453	/nfs/dbraw/zinc/61/44/53/363614453.db2.gz	GOPWBPSBBAIZHN-MRVPVSSYSA-N	0	1	220.276	0.917	20	30		BCEDMN
N#CCCN1CC[C@H](CN2CCOCC2)C1	ZINC000129645241	358591205	/nfs/dbraw/zinc/59/12/05/358591205.db2.gz	FENGOWMBFVMZDQ-LBPRGKRZSA-N	0	1	223.320	0.554	20	30		BCEDMN
C[C@H](C#N)CN(C)CCCC(=O)NC(N)=O	ZINC000049442101	358689244	/nfs/dbraw/zinc/68/92/44/358689244.db2.gz	LOQCXMMQDWDRNM-MRVPVSSYSA-N	0	1	226.280	0.053	20	30		BCEDMN
C[C@H](O)CN(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000051821618	358763955	/nfs/dbraw/zinc/76/39/55/358763955.db2.gz	FQODPPWTGPGJIR-CABZTGNLSA-N	0	1	239.319	0.107	20	30		BCEDMN
C=CCNCc1ccc(S(N)(=O)=O)s1	ZINC000308506828	491136670	/nfs/dbraw/zinc/13/66/70/491136670.db2.gz	FYPVSLXVKVVQPL-UHFFFAOYSA-N	0	1	232.330	0.671	20	30		BCEDMN
CC#CCN1CCC(N2CCCNC2=O)CC1	ZINC000135436341	358838512	/nfs/dbraw/zinc/83/85/12/358838512.db2.gz	GLXIOMRMXPMTRV-UHFFFAOYSA-N	0	1	235.331	0.889	20	30		BCEDMN
COCC#CCN[C@@H]1CCCn2nccc21	ZINC000640221399	358891710	/nfs/dbraw/zinc/89/17/10/358891710.db2.gz	WVMMKOPBGUFWQU-LLVKDONJSA-N	0	1	219.288	0.957	20	30		BCEDMN
N#CCCN1CCN([C@H]2CCCOC2)CC1	ZINC000611175468	358933819	/nfs/dbraw/zinc/93/38/19/358933819.db2.gz	CTKMCCXSXDROEQ-LBPRGKRZSA-N	0	1	223.320	0.697	20	30		BCEDMN
C=CCC[C@H](O)CN(CCOC)[C@H](C)C(N)=O	ZINC000247664161	359239209	/nfs/dbraw/zinc/23/92/09/359239209.db2.gz	XULMXPQXOQZOMC-MNOVXSKESA-N	0	1	244.335	0.136	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000611623434	359401680	/nfs/dbraw/zinc/40/16/80/359401680.db2.gz	AKPXMNWGFPRMLW-VHSXEESVSA-N	0	1	224.308	0.539	20	30		BCEDMN
C[C@H](CO)N(C[C@H](C)O)CC1(C#N)CCC1	ZINC000450830506	202280427	/nfs/dbraw/zinc/28/04/27/202280427.db2.gz	ODMLJPXWCNYOLZ-MNOVXSKESA-N	0	1	226.320	0.744	20	30		BCEDMN
C=CCN(CCOC)C[C@](C)(O)C(C)=O	ZINC000450840721	202283257	/nfs/dbraw/zinc/28/32/57/202283257.db2.gz	YXQAPKPIKOATQC-NSHDSACASA-N	0	1	215.293	0.461	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000612262648	359758889	/nfs/dbraw/zinc/75/88/89/359758889.db2.gz	CCVLNYABAXUSFP-JGVFFNPUSA-N	0	1	220.276	0.915	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000613966556	363693084	/nfs/dbraw/zinc/69/30/84/363693084.db2.gz	BPBRXHNXQGEBGI-WCQYABFASA-N	0	1	240.347	0.722	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H]1CN(C)C	ZINC000088485547	359958761	/nfs/dbraw/zinc/95/87/61/359958761.db2.gz	DIYZZXMJRNIOCY-VHSXEESVSA-N	0	1	245.348	0.254	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1nccc(C#N)n1	ZINC000578834956	366655081	/nfs/dbraw/zinc/65/50/81/366655081.db2.gz	IIZUTIFDICOSFN-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1nccc(C#N)n1	ZINC000578834954	366655095	/nfs/dbraw/zinc/65/50/95/366655095.db2.gz	IIZUTIFDICOSFN-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=CCCOCCNC(=O)C1(N(C)C)CC1	ZINC000613017492	360261818	/nfs/dbraw/zinc/26/18/18/360261818.db2.gz	OWTPMBIPZWXAEZ-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCOCC(=O)N1CCC2(CN(C)C2)C1	ZINC000614039046	363713716	/nfs/dbraw/zinc/71/37/16/363713716.db2.gz	KXFXBDHKVQCBAZ-UHFFFAOYSA-N	0	1	224.304	0.353	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000613121082	360380038	/nfs/dbraw/zinc/38/00/38/360380038.db2.gz	BBJHNQRFHHRFOH-SFYZADRCSA-N	0	1	238.291	0.652	20	30		BCEDMN
CN(CCCO)Cc1ccnc(C#N)c1	ZINC000300809355	360514422	/nfs/dbraw/zinc/51/44/22/360514422.db2.gz	KSVURGHOIQZQKM-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
C=C[C@H](O)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C	ZINC000613191940	360610477	/nfs/dbraw/zinc/61/04/77/360610477.db2.gz	UKSGGZXYFRUDDK-UTLUCORTSA-N	0	1	212.293	0.084	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCOCC2)CC1	ZINC000061778439	360676225	/nfs/dbraw/zinc/67/62/25/360676225.db2.gz	BRJRKPIGYYUMCD-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
C[NH+](C)CCCNC(=O)c1cc([O-])cc(C#N)c1	ZINC000614357303	363790602	/nfs/dbraw/zinc/79/06/02/363790602.db2.gz	YGAYZPSJGKKVJJ-UHFFFAOYSA-N	0	1	247.298	0.945	20	30		BCEDMN
C=CCNC(=O)CN(C)C1(CO)CCC1	ZINC000429240940	201083322	/nfs/dbraw/zinc/08/33/22/201083322.db2.gz	XWLJOSDNHVEFSP-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
C[C@@H]1COCCN1C1CCN(CC#N)CC1	ZINC000579310775	366756549	/nfs/dbraw/zinc/75/65/49/366756549.db2.gz	WHYVHKYBQKNAKH-LLVKDONJSA-N	0	1	223.320	0.695	20	30		BCEDMN
CC(=O)NCCCN(C)CC(C)(C)C#N	ZINC000433303661	201179156	/nfs/dbraw/zinc/17/91/56/201179156.db2.gz	IUCNMNCZGDSEOT-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
CN(CCCC(=O)NC(N)=O)CC(C)(C)C#N	ZINC000433299283	201175844	/nfs/dbraw/zinc/17/58/44/201175844.db2.gz	BRRUWBXLLOWAOM-UHFFFAOYSA-N	0	1	240.307	0.443	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000435438373	201271382	/nfs/dbraw/zinc/27/13/82/201271382.db2.gz	PGKXJKFXYNGICR-QWRGUYRKSA-N	0	1	246.376	0.965	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1ccc(F)cc1O	ZINC000436928449	201342152	/nfs/dbraw/zinc/34/21/52/201342152.db2.gz	BAANNXXAHHJWHJ-QMMMGPOBSA-N	0	1	225.219	0.808	20	30		BCEDMN
COC(=O)C1(NC(=O)C(C)C#N)CCC1	ZINC000438243065	201399337	/nfs/dbraw/zinc/39/93/37/201399337.db2.gz	GWWOMFYQQSFCHE-ZETCQYMHSA-N	0	1	210.233	0.358	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCC(c2cn[nH]c2C)CC1	ZINC000614591264	363902906	/nfs/dbraw/zinc/90/29/06/363902906.db2.gz	IGGKLVFFYXUHMT-LBPRGKRZSA-N	0	1	249.314	0.971	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CCCC1	ZINC000076425921	364391086	/nfs/dbraw/zinc/39/10/86/364391086.db2.gz	PBWVPAXJJINMLP-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
C=CCCS(=O)(=O)NCCN(C)C	ZINC000136434995	364471671	/nfs/dbraw/zinc/47/16/71/364471671.db2.gz	GVOXQHHVNKTKIZ-UHFFFAOYSA-N	0	1	206.311	0.044	20	30		BCEDMN
C=C(C)CN(CC)C(=O)Cc1ncn[nH]1	ZINC000630718180	364499112	/nfs/dbraw/zinc/49/91/12/364499112.db2.gz	IZWSDKHCHRHEJV-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C#Cc1ccc(CNCC(=O)N(C)C)cc1	ZINC000290190159	364702810	/nfs/dbraw/zinc/70/28/10/364702810.db2.gz	CBSJKTQFAMKJSS-UHFFFAOYSA-N	0	1	216.284	0.846	20	30		BCEDMN
CC(C)COC[C@H](O)CNCCC#N	ZINC000573557631	364860383	/nfs/dbraw/zinc/86/03/83/364860383.db2.gz	GTSLBQMPULFXOW-SNVBAGLBSA-N	0	1	200.282	0.523	20	30		BCEDMN
COCCC[N@@H+](C)CCNc1ncncc1C#N	ZINC000573717152	364900585	/nfs/dbraw/zinc/90/05/85/364900585.db2.gz	BDRKUYTYPXOTIM-UHFFFAOYSA-N	0	1	249.318	0.150	20	30		BCEDMN
CC(C)(NC(=O)c1ccc(C#N)[nH]1)c1nn[nH]n1	ZINC000443802233	193031104	/nfs/dbraw/zinc/03/11/04/193031104.db2.gz	WVJAGQISEFQPNZ-UHFFFAOYSA-N	0	1	245.246	0.065	20	30		BCEDMN
CCCCN(CCOCCC#N)CC(N)=O	ZINC000338910573	365441814	/nfs/dbraw/zinc/44/18/14/365441814.db2.gz	AOEYVWGOSKHITL-UHFFFAOYSA-N	0	1	227.308	0.504	20	30		BCEDMN
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C[C@@H](CO)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000579593642	366897123	/nfs/dbraw/zinc/89/71/23/366897123.db2.gz	YSBZKMBGTMDFPQ-VIFPVBQESA-N	0	1	245.286	0.414	20	30		BCEDMN
CC(C)(C#N)CC(=O)NCCc1nc[nH]n1	ZINC000576120310	365493357	/nfs/dbraw/zinc/49/33/57/365493357.db2.gz	BPNZGYLZTHWDTF-UHFFFAOYSA-N	0	1	221.264	0.403	20	30		BCEDMN
C[C@H](CC#N)NCCC(=O)N1CCN(C)CC1	ZINC000068609981	370821115	/nfs/dbraw/zinc/82/11/15/370821115.db2.gz	HJLANRLAWANCIW-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
C=CCOCCN1C[C@H](CO)OC(C)(C)C1	ZINC000385681042	367854465	/nfs/dbraw/zinc/85/44/65/367854465.db2.gz	NHHKCRCJZCBXAB-LLVKDONJSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CCOCCN1C[C@@H](CO)OC(C)(C)C1	ZINC000385681049	367855188	/nfs/dbraw/zinc/85/51/88/367855188.db2.gz	NHHKCRCJZCBXAB-NSHDSACASA-N	0	1	229.320	0.661	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)n[nH]1	ZINC000615606088	368129155	/nfs/dbraw/zinc/12/91/55/368129155.db2.gz	CUBNNTIERUXCSB-SNVBAGLBSA-N	0	1	222.223	0.796	20	30		BCEDMN
C#CCCCN1CCN(C(=O)OC)CC1	ZINC000387448358	368195860	/nfs/dbraw/zinc/19/58/60/368195860.db2.gz	UDYUHDLWXHDTKF-UHFFFAOYSA-N	0	1	210.277	0.784	20	30		BCEDMN
C[C@@H](C(=O)N1CC[C@](F)(C#N)C1)N(C)C	ZINC000615823669	368458563	/nfs/dbraw/zinc/45/85/63/368458563.db2.gz	VCHWWCJZHCGGDB-WPRPVWTQSA-N	0	1	213.256	0.401	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@@H]1CCC	ZINC000059909055	368534472	/nfs/dbraw/zinc/53/44/72/368534472.db2.gz	GZRDGJUHBGMDBT-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N(CC)CC	ZINC000067653481	368692007	/nfs/dbraw/zinc/69/20/07/368692007.db2.gz	ANTWQRQHDYVWFS-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
N#CCSCC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000067863767	368704880	/nfs/dbraw/zinc/70/48/80/368704880.db2.gz	DYPXODQTTZNGTE-SECBINFHSA-N	0	1	239.344	0.596	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)C2CC2)CC1	ZINC000068064093	368712003	/nfs/dbraw/zinc/71/20/03/368712003.db2.gz	HDMRBLQHDKMICS-UHFFFAOYSA-N	0	1	220.316	0.952	20	30		BCEDMN
Cc1cc(C(=O)N(CC#N)C2CC2)n[nH]1	ZINC000068230634	368718648	/nfs/dbraw/zinc/71/86/48/368718648.db2.gz	VXYXZILEMKSFFC-UHFFFAOYSA-N	0	1	204.233	0.846	20	30		BCEDMN
C=CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO	ZINC000457410265	203057265	/nfs/dbraw/zinc/05/72/65/203057265.db2.gz	OHDYRAAWJGXCIT-NSHDSACASA-N	0	1	241.335	0.318	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)[C@@H]1CCCN1C	ZINC000259754955	370939470	/nfs/dbraw/zinc/93/94/70/370939470.db2.gz	FOTFBSIAAXKESG-ZJUUUORDSA-N	0	1	209.293	0.889	20	30		BCEDMN
CCN1CCN(c2cnc(C#N)cn2)C[C@H]1C	ZINC000250189432	368881418	/nfs/dbraw/zinc/88/14/18/368881418.db2.gz	ADAMGVBMOYHJPX-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N(C)CC1CN(C)C1	ZINC000618195196	369084330	/nfs/dbraw/zinc/08/43/30/369084330.db2.gz	ZHKKGDBZJUUOPL-NSHDSACASA-N	0	1	240.347	0.988	20	30		BCEDMN
C=CCN(CC=C)CCN1C(=O)N[C@H](C)C1=O	ZINC000459312333	203255882	/nfs/dbraw/zinc/25/58/82/203255882.db2.gz	YUZSYXXXURZDFL-SNVBAGLBSA-N	0	1	237.303	0.601	20	30		BCEDMN
N#Cc1ccc(N2CCN(CCCF)CC2)nn1	ZINC000402811771	369393103	/nfs/dbraw/zinc/39/31/03/369393103.db2.gz	UYMSWWAMYSPONX-UHFFFAOYSA-N	0	1	249.293	0.830	20	30		BCEDMN
C[C@@H]1CCNC(=O)[C@H]1NCc1ccnc(C#N)c1	ZINC000619655524	369509016	/nfs/dbraw/zinc/50/90/16/369509016.db2.gz	SVGZETNBBJUKQH-SKDRFNHKSA-N	0	1	244.298	0.567	20	30		BCEDMN
Cc1cc(C#N)cc(N(C)Cc2n[nH]c(=O)o2)n1	ZINC000601177558	369600262	/nfs/dbraw/zinc/60/02/62/369600262.db2.gz	WTGKWQCCPBUOCE-UHFFFAOYSA-N	0	1	245.242	0.987	20	30		BCEDMN
Cc1cc(C#N)nc(N2CC(N3CCCC3)C2)n1	ZINC000601193957	369604168	/nfs/dbraw/zinc/60/41/68/369604168.db2.gz	STMUFDZMSNRGIH-UHFFFAOYSA-N	0	1	243.314	0.941	20	30		BCEDMN
Cc1nnc(CC[NH2+]Cc2cccc(C#N)n2)[nH]1	ZINC000602598512	369823767	/nfs/dbraw/zinc/82/37/67/369823767.db2.gz	KGSWDWOXZKJMCD-UHFFFAOYSA-N	0	1	242.286	0.712	20	30		BCEDMN
C[C@@H]1C[C@@H](O)CN1Cc1cccc(C#N)n1	ZINC000602629698	369830119	/nfs/dbraw/zinc/83/01/19/369830119.db2.gz	ISNRGNYCNOXHIO-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@H]1C[C@@H](O)CN1Cc1cccc(C#N)n1	ZINC000602629701	369830668	/nfs/dbraw/zinc/83/06/68/369830668.db2.gz	ISNRGNYCNOXHIO-JOYOIKCWSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@@H]1CCNC(=O)[C@H]1NCc1cccc(C#N)n1	ZINC000602655433	369835718	/nfs/dbraw/zinc/83/57/18/369835718.db2.gz	KRTGOKXWNTZWIT-SKDRFNHKSA-N	0	1	244.298	0.567	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](CO)C2)n1	ZINC000602456071	369789576	/nfs/dbraw/zinc/78/95/76/369789576.db2.gz	ZPRGQMOLTVMVAB-JTQLQIEISA-N	0	1	217.272	0.767	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(C#N)cn1	ZINC000602900384	369862470	/nfs/dbraw/zinc/86/24/70/369862470.db2.gz	UMFKWYKSELDCBH-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
CN1CCN(Cc2ccnc(C#N)c2)[C@@H](CO)C1	ZINC000602903046	369863078	/nfs/dbraw/zinc/86/30/78/369863078.db2.gz	APCJPVYHLDSDFP-CYBMUJFWSA-N	0	1	246.314	0.062	20	30		BCEDMN
CN[C@H](C)c1cn(Cc2ccnc(C#N)c2)nn1	ZINC000603221223	369899434	/nfs/dbraw/zinc/89/94/34/369899434.db2.gz	CBLBXJLSAMJMKD-SECBINFHSA-N	0	1	242.286	0.873	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2ccnc(C#N)c2)nn1	ZINC000603221226	369899548	/nfs/dbraw/zinc/89/95/48/369899548.db2.gz	CBLBXJLSAMJMKD-VIFPVBQESA-N	0	1	242.286	0.873	20	30		BCEDMN
CN1CC[N@@H+](C)C[C@H]1CNc1cc(C#N)ncn1	ZINC000310660315	370360946	/nfs/dbraw/zinc/36/09/46/370360946.db2.gz	FQRNSWGBHGPGNU-LLVKDONJSA-N	0	1	246.318	0.006	20	30		BCEDMN
C=CCCC[C@H](C)Nc1nc(N)nc(N)[nH+]1	ZINC000624086103	371297209	/nfs/dbraw/zinc/29/72/09/371297209.db2.gz	VQNDDRKCSMDKDX-ZETCQYMHSA-N	0	1	222.296	0.275	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2ccnc(C#N)n2)n[nH]1	ZINC000392502718	371399208	/nfs/dbraw/zinc/39/92/08/371399208.db2.gz	KMXVGVBRLKVPFY-ZCFIWIBFSA-N	0	1	229.247	0.370	20	30		BCEDMN
N#Cc1nccc(NCCN2CC=CCC2)n1	ZINC000392837648	371461087	/nfs/dbraw/zinc/46/10/87/371461087.db2.gz	LPMBIZLMQQHOOE-UHFFFAOYSA-N	0	1	229.287	0.444	20	30		BCEDMN
COCC[C@@H](C)N1CCN(C(=O)CC#N)CC1	ZINC000572981948	326422692	/nfs/dbraw/zinc/42/26/92/326422692.db2.gz	GIFSUWKWYSBMFT-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2nc[nH]c2C1	ZINC000627373417	371591372	/nfs/dbraw/zinc/59/13/72/371591372.db2.gz	QXODEOLZSRWWFL-SKDRFNHKSA-N	0	1	247.298	0.886	20	30		BCEDMN
C=CCCC(=O)NC[C@H](C)N1CCN(C)CC1	ZINC000171132995	372348577	/nfs/dbraw/zinc/34/85/77/372348577.db2.gz	VCNDNAGLNOJKBA-LBPRGKRZSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=CCN(C(=O)Cc1ncn[nH]1)C1CC1	ZINC000632287214	372864970	/nfs/dbraw/zinc/86/49/70/372864970.db2.gz	YWEWCVUSAOOKAO-UHFFFAOYSA-N	0	1	206.249	0.524	20	30		BCEDMN
C=CCCC[C@@H](C)NC(=O)CCc1nn[nH]n1	ZINC000632310430	372876865	/nfs/dbraw/zinc/87/68/65/372876865.db2.gz	URRUHZPALOAEHK-SECBINFHSA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CCOCCNC(=O)CCc1c[nH]nn1	ZINC000632360370	372900485	/nfs/dbraw/zinc/90/04/85/372900485.db2.gz	YGJXCUUVOXHTII-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=CCOCCNC(=O)CCc1cnn[nH]1	ZINC000632360370	372900495	/nfs/dbraw/zinc/90/04/95/372900495.db2.gz	YGJXCUUVOXHTII-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=C(C)CN(C)C(=O)CCc1c[nH]nn1	ZINC000632324423	372883380	/nfs/dbraw/zinc/88/33/80/372883380.db2.gz	YIOIEDPFQHPFFN-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C=C(C)CN(C)C(=O)CCc1cnn[nH]1	ZINC000632324423	372883389	/nfs/dbraw/zinc/88/33/89/372883389.db2.gz	YIOIEDPFQHPFFN-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C=C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1	ZINC000632780688	373137800	/nfs/dbraw/zinc/13/78/00/373137800.db2.gz	NPVCMLUFJNUHMW-VIFPVBQESA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CC[C@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000633618237	373633708	/nfs/dbraw/zinc/63/37/08/373633708.db2.gz	RYLNLTOKIBLWCJ-JTQLQIEISA-N	0	1	249.318	0.947	20	30		BCEDMN
C=CCOCCCNC(=O)CCc1c[nH]nn1	ZINC000633628068	373639907	/nfs/dbraw/zinc/63/99/07/373639907.db2.gz	GXNNCEXTLRIROJ-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C=CCOCCCNC(=O)CCc1cnn[nH]1	ZINC000633628068	373639914	/nfs/dbraw/zinc/63/99/14/373639914.db2.gz	GXNNCEXTLRIROJ-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
OC[C@@H]1C[C@H](O)CN1CC#Cc1ccccc1	ZINC000276909639	183129500	/nfs/dbraw/zinc/12/95/00/183129500.db2.gz	FMJANJBTJIDTBS-KBPBESRZSA-N	0	1	231.295	0.466	20	30		BCEDMN
C[C@H](C#N)N1CC[C@H](CN2CCOCC2)C1	ZINC000181913351	134340242	/nfs/dbraw/zinc/34/02/42/134340242.db2.gz	OZJABWVCTPVRJK-VXGBXAGGSA-N	0	1	223.320	0.553	20	30		BCEDMN
C#CC[NH+](CC#C)CCC[N-]C(=O)C(F)(F)F	ZINC000091588266	383986556	/nfs/dbraw/zinc/98/65/56/383986556.db2.gz	KOWQZUXSPILKPB-UHFFFAOYSA-N	0	1	246.232	0.623	20	30		BCEDMN
C#CCCCCNC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000367800194	533032524	/nfs/dbraw/zinc/03/25/24/533032524.db2.gz	IMEOBTQNRVWSDR-VHSXEESVSA-N	0	1	232.287	0.828	20	30		BCEDMN
CN(Cc1ccc(C#N)cc1)[C@H]1COC[C@H]1O	ZINC000340283601	384147650	/nfs/dbraw/zinc/14/76/50/384147650.db2.gz	LZDRHGQMPHDWCR-QWHCGFSZSA-N	0	1	232.283	0.750	20	30		BCEDMN
C=C[C@H](O)C(=O)NCc1nc2ccc(F)cc2[nH]1	ZINC000646884615	384152597	/nfs/dbraw/zinc/15/25/97/384152597.db2.gz	KFROGLHAWGMEGB-JTQLQIEISA-N	0	1	249.245	0.865	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@](CC)(CO)C1	ZINC000187565080	384273639	/nfs/dbraw/zinc/27/36/39/384273639.db2.gz	YDRQASRZMONFKD-ZDUSSCGKSA-N	0	1	240.347	0.773	20	30		BCEDMN
Cn1ncnc1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188670583	384480647	/nfs/dbraw/zinc/48/06/47/384480647.db2.gz	CIBYXFSJWAPGHZ-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
C#CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000490877324	384458555	/nfs/dbraw/zinc/45/85/55/384458555.db2.gz	XJCVVAPFPQHEHV-NSHDSACASA-N	0	1	240.372	0.905	20	30		BCEDMN
C#CCN(CC)C(=O)CN(C)[C@H]1CCSC1	ZINC000490877324	384458559	/nfs/dbraw/zinc/45/85/59/384458559.db2.gz	XJCVVAPFPQHEHV-NSHDSACASA-N	0	1	240.372	0.905	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H](C)O[C@@H](CO)C1	ZINC000249509999	384505715	/nfs/dbraw/zinc/50/57/15/384505715.db2.gz	ZPQZMIWPGGZNMK-GRYCIOLGSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)Cc1[nH]nc2ccccc21	ZINC000356870581	384516620	/nfs/dbraw/zinc/51/66/20/384516620.db2.gz	GXQAECNQEHUKGD-VIFPVBQESA-N	0	1	245.282	0.769	20	30		BCEDMN
C=C[C@H](CO)NC(=O)Cc1[nH]nc2ccccc21	ZINC000356870578	384517182	/nfs/dbraw/zinc/51/71/82/384517182.db2.gz	GXQAECNQEHUKGD-SECBINFHSA-N	0	1	245.282	0.769	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](C)[C@H](O)C1	ZINC000299891207	384584512	/nfs/dbraw/zinc/58/45/12/384584512.db2.gz	JZIQETCZGAWEOP-GARJFASQSA-N	0	1	226.320	0.380	20	30		BCEDMN
Cc1cc(C#N)nc(N2CCN(C)C[C@@H]2C)n1	ZINC000235680241	384622626	/nfs/dbraw/zinc/62/26/26/384622626.db2.gz	NPMUGYSQOJYNSF-JTQLQIEISA-N	0	1	231.303	0.797	20	30		BCEDMN
CCc1nc([C@@H](C)Nc2ccnc(C#N)n2)n[nH]1	ZINC000565230475	384627087	/nfs/dbraw/zinc/62/70/87/384627087.db2.gz	SBUFUYRFMMBBNU-SSDOTTSWSA-N	0	1	243.274	0.624	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCC(=O)OCC	ZINC000050067355	384694600	/nfs/dbraw/zinc/69/46/00/384694600.db2.gz	YKPQMLNWWMOAJY-JTQLQIEISA-N	0	1	240.303	0.009	20	30		BCEDMN
CN(C)C1CN(c2nccnc2C#N)C1	ZINC000270921456	384716971	/nfs/dbraw/zinc/71/69/71/384716971.db2.gz	WKVYXVNONAJEMD-UHFFFAOYSA-N	0	1	203.249	0.098	20	30		BCEDMN
CC#CCCN(CCOC)[C@H](C)C(N)=O	ZINC000155586712	384730665	/nfs/dbraw/zinc/73/06/65/384730665.db2.gz	RJHBDJFIOAKHAI-SNVBAGLBSA-N	0	1	212.293	0.222	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C	ZINC000491808656	384799235	/nfs/dbraw/zinc/79/92/35/384799235.db2.gz	VIAIVAGOVRMUTM-HRDYMLBCSA-N	0	1	210.233	0.426	20	30		BCEDMN
C[C@]1(C(N)=O)CCN(C[C@H](C#N)CCC#N)C1	ZINC000361561890	384884551	/nfs/dbraw/zinc/88/45/51/384884551.db2.gz	GWNYXHYPUDNAGJ-JQWIXIFHSA-N	0	1	234.303	0.627	20	30		BCEDMN
CC#CCNC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000297639889	384862686	/nfs/dbraw/zinc/86/26/86/384862686.db2.gz	BSHSPUWKBBQETJ-UHFFFAOYSA-N	0	1	233.275	0.505	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)N(C)C	ZINC000635996857	384941239	/nfs/dbraw/zinc/94/12/39/384941239.db2.gz	JVIPKZUMRNEKAK-MXWKQRLJSA-N	0	1	226.320	0.786	20	30		BCEDMN
C#CCSCCNc1ccncc1C(N)=O	ZINC000302207455	384972358	/nfs/dbraw/zinc/97/23/58/384972358.db2.gz	FDUARPBTARTYEH-UHFFFAOYSA-N	0	1	235.312	0.959	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](C)C1	ZINC000245406460	384972529	/nfs/dbraw/zinc/97/25/29/384972529.db2.gz	XKDVSEWMGPJAGU-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
Cn1cc(CNC[C@@H](O)C(F)(F)F)cc1C#N	ZINC000236072856	385023449	/nfs/dbraw/zinc/02/34/49/385023449.db2.gz	RNSAQCPTKRCPAU-SECBINFHSA-N	0	1	247.220	0.910	20	30		BCEDMN
C#CCN1CCC(Nc2cccnn2)CC1	ZINC000105804852	385059534	/nfs/dbraw/zinc/05/95/34/385059534.db2.gz	FQDDJANELQSYJW-UHFFFAOYSA-N	0	1	216.288	0.986	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CCCOC2)nn1	ZINC000424291235	385139572	/nfs/dbraw/zinc/13/95/72/385139572.db2.gz	DJBGCICRNUSYQZ-SNVBAGLBSA-N	0	1	222.292	0.733	20	30		BCEDMN
C=CCn1cc(CNC[C@H](O)CC)nn1	ZINC000644675525	385099389	/nfs/dbraw/zinc/09/93/89/385099389.db2.gz	SOICAOHIVATSNC-SNVBAGLBSA-N	0	1	210.281	0.325	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCN(C)[C@H](C)[C@@H]1C	ZINC000491616828	385160086	/nfs/dbraw/zinc/16/00/86/385160086.db2.gz	BWQSOZRXUINKTE-NEPJUHHUSA-N	0	1	237.347	0.150	20	30		BCEDMN
Cc1c(C#N)cccc1C(=O)NCc1nnc[nH]1	ZINC000338160594	385212497	/nfs/dbraw/zinc/21/24/97/385212497.db2.gz	TWIWHBAZGGKWGC-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C#CCN(C)CCCNc1nccn(CC)c1=O	ZINC000292740184	533109701	/nfs/dbraw/zinc/10/97/01/533109701.db2.gz	IURWZAJXMSQKRP-UHFFFAOYSA-N	0	1	248.330	0.630	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CCc1nc[nH]n1	ZINC000491288712	385309293	/nfs/dbraw/zinc/30/92/93/385309293.db2.gz	UHVXIZDTPNLHFP-QMMMGPOBSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#CCNC(=O)CCNCc1cccnc1F	ZINC000491640318	385290146	/nfs/dbraw/zinc/29/01/46/385290146.db2.gz	ZYOZWGNBDKQTPS-UHFFFAOYSA-N	0	1	235.262	0.450	20	30		BCEDMN
C[N@H+]1CC[C@@H]2CCN(c3nccnc3C#N)C[C@H]21	ZINC000364308088	385345726	/nfs/dbraw/zinc/34/57/26/385345726.db2.gz	OPNPWQGEYIGUII-ZYHUDNBSSA-N	0	1	243.314	0.879	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)[C@H](C)Cc1cnc[nH]1	ZINC000491691140	385484292	/nfs/dbraw/zinc/48/42/92/385484292.db2.gz	NXXRXSAMQSPSMS-ZYHUDNBSSA-N	0	1	247.298	0.449	20	30		BCEDMN
N#CCCOCCN1CCC[C@]12CCNC2=O	ZINC000593996760	385592921	/nfs/dbraw/zinc/59/29/21/385592921.db2.gz	RFEPAXNLOWQFRW-GFCCVEGCSA-N	0	1	237.303	0.271	20	30		BCEDMN
N#Cc1ccc(CN[C@@]2(CO)CCOC2)s1	ZINC000184192846	385637839	/nfs/dbraw/zinc/63/78/39/385637839.db2.gz	AOTVFORYBNUORY-LLVKDONJSA-N	0	1	238.312	0.861	20	30		BCEDMN
CC#CCN(C)CC[C@@H]1CCS(=O)(=O)C1	ZINC000645262407	385680565	/nfs/dbraw/zinc/68/05/65/385680565.db2.gz	MZPNPPUOYKOKIN-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
CC#CCN(C)CC[C@H]1CCS(=O)(=O)C1	ZINC000645262408	385681271	/nfs/dbraw/zinc/68/12/71/385681271.db2.gz	MZPNPPUOYKOKIN-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
Cc1nnc(N(C)Cc2nnc[nH]2)c(C#N)c1C	ZINC000265782341	385768665	/nfs/dbraw/zinc/76/86/65/385768665.db2.gz	MDNYIVFRVKRNGW-UHFFFAOYSA-N	0	1	243.274	0.720	20	30		BCEDMN
CC#CCCN1CCNC(=O)[C@@H]1C(C)C	ZINC000185026652	385721710	/nfs/dbraw/zinc/72/17/10/385721710.db2.gz	GEBMDMUTLUXHSR-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
CN(C(=O)[C@@H]1CNCCO1)[C@H]1CCC[C@@H]1C#N	ZINC000602597359	385809859	/nfs/dbraw/zinc/80/98/59/385809859.db2.gz	BDUSNMZDZFZISW-VWYCJHECSA-N	0	1	237.303	0.125	20	30		BCEDMN
CCN1CCN(c2nccc(C#N)n2)CC1	ZINC000231896232	385857182	/nfs/dbraw/zinc/85/71/82/385857182.db2.gz	FLAPGGGCFAOPSK-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
C[C@@H](NCC(N)=O)c1ccc(C#N)cc1	ZINC000022215170	385899041	/nfs/dbraw/zinc/89/90/41/385899041.db2.gz	RWYVHAZVDOHHEY-MRVPVSSYSA-N	0	1	203.245	0.694	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN1C	ZINC000408396473	385941769	/nfs/dbraw/zinc/94/17/69/385941769.db2.gz	PNGLUPNTXSBOEH-GXSJLCMTSA-N	0	1	225.292	0.125	20	30		BCEDMN
N#Cc1csc(C(=O)NCc2nnc[nH]2)c1	ZINC000438341819	385972633	/nfs/dbraw/zinc/97/26/33/385972633.db2.gz	PJKYBBMYIQFYGU-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN(CC)C1CC1	ZINC000345143150	386008951	/nfs/dbraw/zinc/00/89/51/386008951.db2.gz	AJZCEDAGTDHXDD-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1ccccn1	ZINC000295142967	533162269	/nfs/dbraw/zinc/16/22/69/533162269.db2.gz	LGFCRVDQFANUAJ-UHFFFAOYSA-N	0	1	231.299	0.653	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C	ZINC000424933544	386225196	/nfs/dbraw/zinc/22/51/96/386225196.db2.gz	QUKGYKXDHNBWII-SRVKXCTJSA-N	0	1	238.331	0.788	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CCC1)CC(C)(C)O	ZINC000347044200	386228731	/nfs/dbraw/zinc/22/87/31/386228731.db2.gz	DPHZWWOVWWINPM-UHFFFAOYSA-N	0	1	239.319	0.252	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000416457495	386310751	/nfs/dbraw/zinc/31/07/51/386310751.db2.gz	OHPSWOKHWSHUTE-AEJSXWLSSA-N	0	1	245.348	0.301	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ncn[nH]1	ZINC000280634182	386366472	/nfs/dbraw/zinc/36/64/72/386366472.db2.gz	ADHYCZLSBQCZKF-RKDXNWHRSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1nc[nH]n1	ZINC000280634182	386366478	/nfs/dbraw/zinc/36/64/78/386366478.db2.gz	ADHYCZLSBQCZKF-RKDXNWHRSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ncn[nH]1	ZINC000280634173	386366636	/nfs/dbraw/zinc/36/66/36/386366636.db2.gz	ADHYCZLSBQCZKF-DTWKUNHWSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1nc[nH]n1	ZINC000280634173	386366641	/nfs/dbraw/zinc/36/66/41/386366641.db2.gz	ADHYCZLSBQCZKF-DTWKUNHWSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)NC(=O)NC	ZINC000060935107	386435671	/nfs/dbraw/zinc/43/56/71/386435671.db2.gz	WOBIOUVLAOPSSB-UHFFFAOYSA-N	0	1	213.281	0.340	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1ncnn1CC	ZINC000320782921	386489101	/nfs/dbraw/zinc/48/91/01/386489101.db2.gz	RSMHNNXHWJQJRI-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1nccn1C	ZINC000320786699	386490094	/nfs/dbraw/zinc/49/00/94/386490094.db2.gz	SJCHEQBHHYDVLS-JTQLQIEISA-N	0	1	209.293	0.837	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2cc(C#N)c[nH]2)n1	ZINC000267205342	386509041	/nfs/dbraw/zinc/50/90/41/386509041.db2.gz	RCYUSLOWCAUBMW-UHFFFAOYSA-N	0	1	244.258	0.285	20	30		BCEDMN
CCNC(=O)CNCc1ccc(C#N)cc1	ZINC000035141925	386463385	/nfs/dbraw/zinc/46/33/85/386463385.db2.gz	VHZPWDFXGOSIDY-UHFFFAOYSA-N	0	1	217.272	0.784	20	30		BCEDMN
C#CCN1CCC(C(=O)Nc2nc(C)no2)CC1	ZINC000098093631	386579066	/nfs/dbraw/zinc/57/90/66/386579066.db2.gz	ZIEZLVONLPYJGG-UHFFFAOYSA-N	0	1	248.286	0.662	20	30		BCEDMN
CN(C)C1CN(c2nccc(C#N)n2)C1	ZINC000294489611	386559007	/nfs/dbraw/zinc/55/90/07/386559007.db2.gz	YGDDQYFNYCVACV-UHFFFAOYSA-N	0	1	203.249	0.098	20	30		BCEDMN
Cn1cc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cn1	ZINC000328791709	386627117	/nfs/dbraw/zinc/62/71/17/386627117.db2.gz	RAAUIJYEQJYWNY-ZETCQYMHSA-N	0	1	246.274	0.931	20	30		BCEDMN
Cn1cc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cn1	ZINC000328791709	386627123	/nfs/dbraw/zinc/62/71/23/386627123.db2.gz	RAAUIJYEQJYWNY-ZETCQYMHSA-N	0	1	246.274	0.931	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1	ZINC000425555648	386628699	/nfs/dbraw/zinc/62/86/99/386628699.db2.gz	YLSFHNVHZGIDBN-NXEZZACHSA-N	0	1	249.318	0.285	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2nnc[nH]2)C1	ZINC000425555648	386628707	/nfs/dbraw/zinc/62/87/07/386628707.db2.gz	YLSFHNVHZGIDBN-NXEZZACHSA-N	0	1	249.318	0.285	20	30		BCEDMN
C[C@@H](O)CN1CCN(CC2(C#N)CC2)CC1	ZINC000408440670	386638140	/nfs/dbraw/zinc/63/81/40/386638140.db2.gz	FFXJHQSDONAJLV-LLVKDONJSA-N	0	1	223.320	0.289	20	30		BCEDMN
C=C(C)CNC(=O)[C@H](C)CN1CCOCC1	ZINC000428125551	386665288	/nfs/dbraw/zinc/66/52/88/386665288.db2.gz	MNKOXPLPYWJWQO-LLVKDONJSA-N	0	1	226.320	0.647	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)[C@@H]2CCCO2)n1	ZINC000328989283	386667837	/nfs/dbraw/zinc/66/78/37/386667837.db2.gz	RVWYAEYQFPVEFK-QMMMGPOBSA-N	0	1	224.264	0.791	20	30		BCEDMN
CCN(CCO)C(=O)NCc1cn[nH]c1C	ZINC000330376065	386680964	/nfs/dbraw/zinc/68/09/64/386680964.db2.gz	HIKWXNBZGOWLGW-UHFFFAOYSA-N	0	1	226.280	0.446	20	30		BCEDMN
C=CCOCCN1CCN([C@H]2CCOC2)CC1	ZINC000645101789	386721927	/nfs/dbraw/zinc/72/19/27/386721927.db2.gz	PYURYOLXOYLLJM-ZDUSSCGKSA-N	0	1	240.347	0.596	20	30		BCEDMN
[O-]C(NCCn1ccnc1)=[NH+]C1CCOCC1	ZINC000330470964	386725468	/nfs/dbraw/zinc/72/54/68/386725468.db2.gz	BJZLVLYZCAXZDA-UHFFFAOYSA-N	0	1	238.291	0.566	20	30		BCEDMN
[O-]C(NC1CCOCC1)=[NH+]CCn1ccnc1	ZINC000330470964	386725474	/nfs/dbraw/zinc/72/54/74/386725474.db2.gz	BJZLVLYZCAXZDA-UHFFFAOYSA-N	0	1	238.291	0.566	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000330468736	386726041	/nfs/dbraw/zinc/72/60/41/386726041.db2.gz	YYNGEPFJJZUOLD-BDAKNGLRSA-N	0	1	247.302	0.718	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000330468736	386726043	/nfs/dbraw/zinc/72/60/43/386726043.db2.gz	YYNGEPFJJZUOLD-BDAKNGLRSA-N	0	1	247.302	0.718	20	30		BCEDMN
C[C@H](CC#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000330550472	386764171	/nfs/dbraw/zinc/76/41/71/386764171.db2.gz	XEHZFBFAKAFFMF-ZJUUUORDSA-N	0	1	241.360	0.842	20	30		BCEDMN
CC#CCN(C)CCN1C(=O)CCC1=O	ZINC000293256162	386793487	/nfs/dbraw/zinc/79/34/87/386793487.db2.gz	UEQSRSGVWWAJQU-UHFFFAOYSA-N	0	1	208.261	0.091	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000330536714	386781926	/nfs/dbraw/zinc/78/19/26/386781926.db2.gz	FGBQFKYPCXMHEK-VIFPVBQESA-N	0	1	247.302	0.672	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000330536714	386781931	/nfs/dbraw/zinc/78/19/31/386781931.db2.gz	FGBQFKYPCXMHEK-VIFPVBQESA-N	0	1	247.302	0.672	20	30		BCEDMN
CC#CCCNC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000330586089	386800284	/nfs/dbraw/zinc/80/02/84/386800284.db2.gz	SKZMQLOPUWOKAS-VIFPVBQESA-N	0	1	232.287	0.439	20	30		BCEDMN
CC#CCCNC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000330586089	386800290	/nfs/dbraw/zinc/80/02/90/386800290.db2.gz	SKZMQLOPUWOKAS-VIFPVBQESA-N	0	1	232.287	0.439	20	30		BCEDMN
C[C@@H](CN1CCOCC1)C(=O)NCCCC#N	ZINC000330797822	386890167	/nfs/dbraw/zinc/89/01/67/386890167.db2.gz	CDWSBCUMALJFHS-NSHDSACASA-N	0	1	239.319	0.375	20	30		BCEDMN
COc1cc(CNC(=O)CN(C)C)ccc1C#N	ZINC000358983950	387039393	/nfs/dbraw/zinc/03/93/93/387039393.db2.gz	KAGSBXONFSUTME-UHFFFAOYSA-N	0	1	247.298	0.745	20	30		BCEDMN
CN(Cc1cnc[nH]1)S(=O)(=O)CCCC#N	ZINC000571894264	387194859	/nfs/dbraw/zinc/19/48/59/387194859.db2.gz	GDZXEWFJCRXOGT-UHFFFAOYSA-N	0	1	242.304	0.475	20	30		BCEDMN
C[C@@H]1CCN(CCCC#N)[C@H](C(N)=O)C1	ZINC000187426876	387197874	/nfs/dbraw/zinc/19/78/74/387197874.db2.gz	HGVJOIIBBRMJSW-ZJUUUORDSA-N	0	1	209.293	0.876	20	30		BCEDMN
CN1C(=O)C[C@H](N2CCC(CCC#N)CC2)C1=O	ZINC000514790505	387292004	/nfs/dbraw/zinc/29/20/04/387292004.db2.gz	YCBGNEKDICIJFL-NSHDSACASA-N	0	1	249.314	0.759	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1ccccn1	ZINC000392918752	387303312	/nfs/dbraw/zinc/30/33/12/387303312.db2.gz	CPYHUSIMSAXUSJ-UHFFFAOYSA-N	0	1	231.299	0.767	20	30		BCEDMN
CC#CCNC(=O)CCSc1nnc(C)[nH]1	ZINC000270791642	387437467	/nfs/dbraw/zinc/43/74/67/387437467.db2.gz	VFODBUUGGPSASQ-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
C#CCN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000264305963	387389198	/nfs/dbraw/zinc/38/91/98/387389198.db2.gz	XKHQGLSRMZAXAF-HNNXBMFYSA-N	0	1	244.338	0.971	20	30		BCEDMN
C#CCCCC(=O)NCCc1nc(C)n[nH]1	ZINC000277562527	387534952	/nfs/dbraw/zinc/53/49/52/387534952.db2.gz	VZTZEJXBOPRPER-UHFFFAOYSA-N	0	1	220.276	0.575	20	30		BCEDMN
CC#CCCCC(=O)NCCc1nc(C)n[nH]1	ZINC000274341966	387472156	/nfs/dbraw/zinc/47/21/56/387472156.db2.gz	MOADVOIKTARDLT-UHFFFAOYSA-N	0	1	234.303	0.965	20	30		BCEDMN
CNC(=O)[C@]1(C)CCN(C[C@H](C#N)CCC#N)C1	ZINC000430270575	387604981	/nfs/dbraw/zinc/60/49/81/387604981.db2.gz	RYSGNHHXTOCNGA-WCQYABFASA-N	0	1	248.330	0.888	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@]2(CCOC2)C1	ZINC000451896813	387673465	/nfs/dbraw/zinc/67/34/65/387673465.db2.gz	CEUBIRFOAGDVSK-ZDUSSCGKSA-N	0	1	238.331	0.791	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC[C@H](OC)C1	ZINC000170818788	387822412	/nfs/dbraw/zinc/82/24/12/387822412.db2.gz	OLWVJAIRKLOUBB-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)CO	ZINC000245704396	387974729	/nfs/dbraw/zinc/97/47/29/387974729.db2.gz	YESCZQKARYYBHL-PWSUYJOCSA-N	0	1	241.335	0.353	20	30		BCEDMN
COC[C@@H](C(N)=O)N(C)CCCSCC#N	ZINC000339356148	135071924	/nfs/dbraw/zinc/07/19/24/135071924.db2.gz	BCMPFIHOVGUQDA-VIFPVBQESA-N	0	1	245.348	0.065	20	30		BCEDMN
CC[C@H](CC#N)N[C@H](C)COCC(=O)OC	ZINC000449243100	388161960	/nfs/dbraw/zinc/16/19/60/388161960.db2.gz	IFUHNXAGLHXGRF-NXEZZACHSA-N	0	1	228.292	0.846	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NCCN1CCCOCC1	ZINC000454681939	388129287	/nfs/dbraw/zinc/12/92/87/388129287.db2.gz	SPYPRSKVIAZFSB-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
N#C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000171733288	388131686	/nfs/dbraw/zinc/13/16/86/388131686.db2.gz	GCYBWDCXHWCDCP-SECBINFHSA-N	0	1	246.270	0.652	20	30		BCEDMN
C#CC[N@@H+](CC)CCCN1CCCC1=O	ZINC000490759904	388253004	/nfs/dbraw/zinc/25/30/04/388253004.db2.gz	HQPSOQXRQNIGEX-UHFFFAOYSA-N	0	1	208.305	0.954	20	30		BCEDMN
C#CCN(CC)CCn1nc2ccccn2c1=O	ZINC000490778693	388253230	/nfs/dbraw/zinc/25/32/30/388253230.db2.gz	JCFQERIWZKCEQQ-UHFFFAOYSA-N	0	1	244.298	0.451	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CN(CC)C1CC1	ZINC000490865559	388257302	/nfs/dbraw/zinc/25/73/02/388257302.db2.gz	DPOHZENRXAUJSM-UHFFFAOYSA-N	0	1	232.327	0.956	20	30		BCEDMN
C#CC(C)(C)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000490897773	388258834	/nfs/dbraw/zinc/25/88/34/388258834.db2.gz	FITYNRJOKYXOBZ-SNVBAGLBSA-N	0	1	240.372	0.952	20	30		BCEDMN
C=CCCCS(=O)(=O)NC[C@@H]1CCCN1C	ZINC000489118751	388204201	/nfs/dbraw/zinc/20/42/01/388204201.db2.gz	VGZWTLDONTXASQ-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
N#C[C@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1	ZINC000173124478	388237200	/nfs/dbraw/zinc/23/72/00/388237200.db2.gz	KEZPSCZIZKYJOF-VIFPVBQESA-N	0	1	246.270	0.652	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@H](C)S[C@@H](C)C1	ZINC000490678305	388246838	/nfs/dbraw/zinc/24/68/38/388246838.db2.gz	NFTNWGYTFODZBI-DCAQKATOSA-N	0	1	240.372	0.950	20	30		BCEDMN
C#CC(C)(C)NC(=O)[C@@H](C)N1CC(C)C1	ZINC000491452802	388295533	/nfs/dbraw/zinc/29/55/33/388295533.db2.gz	NIJJLMSORLRNAO-SNVBAGLBSA-N	0	1	208.305	0.855	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)COc1cccc(C)c1	ZINC000491484987	388298155	/nfs/dbraw/zinc/29/81/55/388298155.db2.gz	MERLHMTWAHMBDY-CHWSQXEVSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCN1CCC(C(=O)NO[C@H](C)C=C)CC1	ZINC000491497699	388299150	/nfs/dbraw/zinc/29/91/50/388299150.db2.gz	ZJKACZKIXMEAJJ-LLVKDONJSA-N	0	1	236.315	0.954	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@H](C)N1CC(C)C1	ZINC000491569513	388304091	/nfs/dbraw/zinc/30/40/91/388304091.db2.gz	WFFBKSVIUAIFJC-ZDUSSCGKSA-N	0	1	232.327	0.812	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CSc1nnc(C)[nH]1	ZINC000491626840	388306253	/nfs/dbraw/zinc/30/62/53/388306253.db2.gz	MVCARAPDNJLTTN-MRVPVSSYSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CSc1nc(C)n[nH]1	ZINC000491626840	388306254	/nfs/dbraw/zinc/30/62/54/388306254.db2.gz	MVCARAPDNJLTTN-MRVPVSSYSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000491631503	388306606	/nfs/dbraw/zinc/30/66/06/388306606.db2.gz	OIHISPOKUJGMMB-JTQLQIEISA-N	0	1	230.271	0.574	20	30		BCEDMN
C#CCNC(=O)CCNCc1c(C)onc1CC	ZINC000491657088	388308428	/nfs/dbraw/zinc/30/84/28/388308428.db2.gz	FSRXKWSHHWZDDE-UHFFFAOYSA-N	0	1	249.314	0.775	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1nc[nH]n1)C(C)(C)C	ZINC000491680085	388310502	/nfs/dbraw/zinc/31/05/02/388310502.db2.gz	HUPRVHKSHRPKRN-SECBINFHSA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccccc1C	ZINC000491691135	388311174	/nfs/dbraw/zinc/31/11/74/388311174.db2.gz	DERULLHHFYTANU-AAEUAGOBSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#CCNC(=O)CCNCc1ncccc1OC	ZINC000491692038	388311306	/nfs/dbraw/zinc/31/13/06/388311306.db2.gz	HPHOINANPKWIDS-UHFFFAOYSA-N	0	1	247.298	0.319	20	30		BCEDMN
C#CCN(C)CCCNC(=O)C(=O)c1ccc[nH]1	ZINC000491698388	388312458	/nfs/dbraw/zinc/31/24/58/388312458.db2.gz	HLROWOYQMQJTMP-UHFFFAOYSA-N	0	1	247.298	0.269	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(F)cc1C	ZINC000491715595	388314188	/nfs/dbraw/zinc/31/41/88/388314188.db2.gz	KMXFLGUSNCGSJK-YPMHNXCESA-N	0	1	237.274	0.751	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccc(F)cc1	ZINC000491735405	388316106	/nfs/dbraw/zinc/31/61/06/388316106.db2.gz	UCDNTMPYXSICJM-VXGBXAGGSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#CCN(CC#C)[C@H](C)c1n[nH]c(C)n1	ZINC000491738240	388316553	/nfs/dbraw/zinc/31/65/53/388316553.db2.gz	MPZGAXCULITVQU-SECBINFHSA-N	0	1	202.261	0.743	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1ccoc1	ZINC000491738575	388316644	/nfs/dbraw/zinc/31/66/44/388316644.db2.gz	GFRGCTJENYGPKS-UHFFFAOYSA-N	0	1	220.272	0.851	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000491775718	388319518	/nfs/dbraw/zinc/31/95/18/388319518.db2.gz	VJMSXSUEYLMHDG-QWRGUYRKSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCCO[C@@H](CC)C1	ZINC000491810448	388322556	/nfs/dbraw/zinc/32/25/56/388322556.db2.gz	IMAZPHWLIYAMLB-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000491816274	388323387	/nfs/dbraw/zinc/32/33/87/388323387.db2.gz	MYGVHBVQBAXVSX-SNVBAGLBSA-N	0	1	249.270	0.710	20	30		BCEDMN
C#CCNC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000491192031	388274082	/nfs/dbraw/zinc/27/40/82/388274082.db2.gz	KHWSLOPXDXXILQ-ZCFIWIBFSA-N	0	1	207.237	0.107	20	30		BCEDMN
Cc1cc(C#N)cnc1C(=O)Nc1nn[nH]n1	ZINC000556227872	388352549	/nfs/dbraw/zinc/35/25/49/388352549.db2.gz	MYEYAKKVLMZHMS-UHFFFAOYSA-N	0	1	229.203	0.027	20	30		BCEDMN
C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)[NH+](C)C	ZINC000442630833	388358463	/nfs/dbraw/zinc/35/84/63/388358463.db2.gz	WYUVBEIKUIHEHW-SECBINFHSA-N	0	1	247.298	0.944	20	30		BCEDMN
CCN(CC#N)C(=O)CN(C)[C@H]1CCSC1	ZINC000163846180	388368926	/nfs/dbraw/zinc/36/89/26/388368926.db2.gz	IPGHKKYYUUBZMQ-JTQLQIEISA-N	0	1	241.360	0.796	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NCCn1cncn1	ZINC000330363604	388443891	/nfs/dbraw/zinc/44/38/91/388443891.db2.gz	LLYDPRNNAFZIQM-ZJUUUORDSA-N	0	1	205.265	0.560	20	30		BCEDMN
N#CC1CCN(C[C@H](O)CC2(O)CCC2)CC1	ZINC000528366296	388450905	/nfs/dbraw/zinc/45/09/05/388450905.db2.gz	UNNYRQQEMTULFO-GFCCVEGCSA-N	0	1	238.331	0.888	20	30		BCEDMN
C[C@@H](C[S@@](C)=O)N(C)CCOCCC#N	ZINC000339083425	388476970	/nfs/dbraw/zinc/47/69/70/388476970.db2.gz	JEOQIVCQAXGAPA-ZUZCIYMTSA-N	0	1	232.349	0.615	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2cc(C#N)cnn2)CCN1C	ZINC000596181723	388407847	/nfs/dbraw/zinc/40/78/47/388407847.db2.gz	DYBJNNPDOIPZEJ-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
Cc1nnc(SCC(=O)NC[C@H](C)C#N)[nH]1	ZINC000524794854	388409952	/nfs/dbraw/zinc/40/99/52/388409952.db2.gz	GSWJJSITIQPBBZ-ZCFIWIBFSA-N	0	1	239.304	0.481	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)NC[C@H](C)C#N)n1	ZINC000524794854	388409955	/nfs/dbraw/zinc/40/99/55/388409955.db2.gz	GSWJJSITIQPBBZ-ZCFIWIBFSA-N	0	1	239.304	0.481	20	30		BCEDMN
Cc1nnc(SCC(=O)NC[C@@H](C)C#N)[nH]1	ZINC000524794853	388410065	/nfs/dbraw/zinc/41/00/65/388410065.db2.gz	GSWJJSITIQPBBZ-LURJTMIESA-N	0	1	239.304	0.481	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)NC[C@@H](C)C#N)n1	ZINC000524794853	388410066	/nfs/dbraw/zinc/41/00/66/388410066.db2.gz	GSWJJSITIQPBBZ-LURJTMIESA-N	0	1	239.304	0.481	20	30		BCEDMN
C=CCn1cc(C(=O)NCc2cn[nH]c2C)nn1	ZINC000648727281	388415514	/nfs/dbraw/zinc/41/55/14/388415514.db2.gz	BQDQIPYNCWIEQN-UHFFFAOYSA-N	0	1	246.274	0.426	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCC[C@@H](NC(=O)CC)C1	ZINC000649273265	388488355	/nfs/dbraw/zinc/48/83/55/388488355.db2.gz	VWAORZRUZYJXGW-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#CCNC(=O)c1ccc(-c2nnc[nH]2)cc1	ZINC000183980801	256841941	/nfs/dbraw/zinc/84/19/41/256841941.db2.gz	GDNVQZLKQSHULV-UHFFFAOYSA-N	0	1	226.239	0.835	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000565193823	388596251	/nfs/dbraw/zinc/59/62/51/388596251.db2.gz	HUHIVVNCIMPJLB-VHSXEESVSA-N	0	1	237.303	0.642	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000565193818	388596599	/nfs/dbraw/zinc/59/65/99/388596599.db2.gz	HUHIVVNCIMPJLB-UWVGGRQHSA-N	0	1	237.303	0.642	20	30		BCEDMN
COCC#CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528782969	388572480	/nfs/dbraw/zinc/57/24/80/388572480.db2.gz	JVNULBRLMAYDHL-WQGACYEGSA-N	0	1	241.356	0.622	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1	ZINC000528925637	388583563	/nfs/dbraw/zinc/58/35/63/388583563.db2.gz	VXAXUQSSKRCRKM-PEBGCTIMSA-N	0	1	220.272	0.733	20	30		BCEDMN
C[C@H](NCC(=O)NC(N)=O)c1ccc(C#N)cc1	ZINC000037749575	388616868	/nfs/dbraw/zinc/61/68/68/388616868.db2.gz	GVXWOLHGDFDCOB-QMMMGPOBSA-N	0	1	246.270	0.404	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000248484593	388681900	/nfs/dbraw/zinc/68/19/00/388681900.db2.gz	DLYDJDPKGRQRQX-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
CCN(CCOCCO)Cc1ccc(C#N)cn1	ZINC000516979721	388660256	/nfs/dbraw/zinc/66/02/56/388660256.db2.gz	QAZLJFOSYWZVSU-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
CCN1CCN(c2ccnc(C#N)n2)[C@H](C)C1	ZINC000517960367	388661509	/nfs/dbraw/zinc/66/15/09/388661509.db2.gz	IMWPAGQVHKXSIG-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
Cc1cc(C[C@@H](C)Nc2ccnc(C#N)n2)[nH]n1	ZINC000517588999	388662169	/nfs/dbraw/zinc/66/21/69/388662169.db2.gz	XDTZKXWRFIPZHW-MRVPVSSYSA-N	0	1	242.286	0.845	20	30		BCEDMN
N#Cc1ccc(CN[C@H](CO)[C@@H]2CCCO2)o1	ZINC000447971715	388740209	/nfs/dbraw/zinc/74/02/09/388740209.db2.gz	MFLQUVJCPLATTA-NEPJUHHUSA-N	0	1	236.271	0.781	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccnc(C#N)c3)C[C@H]21	ZINC000329363197	388746682	/nfs/dbraw/zinc/74/66/82/388746682.db2.gz	HNMWEYFIVHYESD-OLZOCXBDSA-N	0	1	244.298	0.472	20	30		BCEDMN
N#Cc1ccc(CC(=O)NCCN2CCC2)cn1	ZINC000528887787	388708873	/nfs/dbraw/zinc/70/88/73/388708873.db2.gz	SZSPGGOXGJPFKV-UHFFFAOYSA-N	0	1	244.298	0.318	20	30		BCEDMN
C=C(C)CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000229078412	388780485	/nfs/dbraw/zinc/78/04/85/388780485.db2.gz	GVOAVUKPTKXLTE-UWVGGRQHSA-N	0	1	213.277	0.561	20	30		BCEDMN
C=C(C)CCN1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000229078412	388780488	/nfs/dbraw/zinc/78/04/88/388780488.db2.gz	GVOAVUKPTKXLTE-UWVGGRQHSA-N	0	1	213.277	0.561	20	30		BCEDMN
Cn1cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1C#N	ZINC000280314616	388782365	/nfs/dbraw/zinc/78/23/65/388782365.db2.gz	PWQVKWGIYFDRQH-ZDUSSCGKSA-N	0	1	246.314	0.594	20	30		BCEDMN
N#CCC[C@@H](C#N)CNCCNC(=O)C1CC1	ZINC000554476027	388817413	/nfs/dbraw/zinc/81/74/13/388817413.db2.gz	GMCUZBNHKHUYRM-JTQLQIEISA-N	0	1	234.303	0.546	20	30		BCEDMN
N#Cc1c[nH]c(=O)n([C@@H]2C=CCCC2)c1=O	ZINC000335479543	388829875	/nfs/dbraw/zinc/82/98/75/388829875.db2.gz	RMFDSQNUTHQMIW-SECBINFHSA-N	0	1	217.228	0.689	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)nn1	ZINC000648771508	388859605	/nfs/dbraw/zinc/85/96/05/388859605.db2.gz	XNQVCABHTQJJPS-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@H]2CCCN(C)C2)nn1	ZINC000648771508	388859608	/nfs/dbraw/zinc/85/96/08/388859608.db2.gz	XNQVCABHTQJJPS-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)nn1	ZINC000648771509	388860045	/nfs/dbraw/zinc/86/00/45/388860045.db2.gz	XNQVCABHTQJJPS-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@@H]2CCCN(C)C2)nn1	ZINC000648771509	388860048	/nfs/dbraw/zinc/86/00/48/388860048.db2.gz	XNQVCABHTQJJPS-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
CC#CCCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000541746411	388865766	/nfs/dbraw/zinc/86/57/66/388865766.db2.gz	OWJGIELYEQWWRS-LLVKDONJSA-N	0	1	240.372	0.953	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000649187034	388898664	/nfs/dbraw/zinc/89/86/64/388898664.db2.gz	IRGOVNWASKVZQE-JTQLQIEISA-N	0	1	235.287	0.531	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)CO[C@@H](C)COC	ZINC000565489038	388948485	/nfs/dbraw/zinc/94/84/85/388948485.db2.gz	KGVKEURMRTVGIV-QJPTWQEYSA-N	0	1	244.335	0.681	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)CO[C@H](C)COC	ZINC000565489037	388949183	/nfs/dbraw/zinc/94/91/83/388949183.db2.gz	KGVKEURMRTVGIV-IJLUTSLNSA-N	0	1	244.335	0.681	20	30		BCEDMN
CC(C)OCC[C@H](O)CNC[C@H](C)C#N	ZINC000566116989	388989173	/nfs/dbraw/zinc/98/91/73/388989173.db2.gz	OJCMUZBRXFQRDK-MNOVXSKESA-N	0	1	214.309	0.912	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000368196521	533229202	/nfs/dbraw/zinc/22/92/02/533229202.db2.gz	UGIKVKAAYYOSAS-BDAKNGLRSA-N	0	1	232.287	0.588	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000368196523	533294414	/nfs/dbraw/zinc/29/44/14/533294414.db2.gz	UGIKVKAAYYOSAS-IUCAKERBSA-N	0	1	232.287	0.588	20	30		BCEDMN
C=C(C)CN(C)C(=O)CCc1nc[nH]n1	ZINC000183051176	533490503	/nfs/dbraw/zinc/49/05/03/533490503.db2.gz	CGAITLDVWSGEOC-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C[C@@H](O)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000282092906	132211898	/nfs/dbraw/zinc/21/18/98/132211898.db2.gz	VKIJYJRVWXMNOV-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C[C@H]1CN(c2cccc(C#N)n2)CCN1CCO	ZINC000302396626	132263280	/nfs/dbraw/zinc/26/32/80/132263280.db2.gz	JDVAQUROZFCOGS-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCNC1=O	ZINC000332676468	134005919	/nfs/dbraw/zinc/00/59/19/134005919.db2.gz	ROQSIYOTQSURTP-BBBLOLIVSA-N	0	1	207.277	0.499	20	30		BCEDMN
C=CCN(CCOC)c1ncnc2[nH]cnc21	ZINC000302703182	134157898	/nfs/dbraw/zinc/15/78/98/134157898.db2.gz	IQMHMJKJXYDYAK-UHFFFAOYSA-N	0	1	233.275	0.992	20	30		BCEDMN
CN(CC(=O)NCC#N)C[C@H]1CCCC[C@H]1O	ZINC000305815094	134160564	/nfs/dbraw/zinc/16/05/64/134160564.db2.gz	OABJLSMXWXRKCP-GHMZBOCLSA-N	0	1	239.319	0.109	20	30		BCEDMN
CCCC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000355114111	134171910	/nfs/dbraw/zinc/17/19/10/134171910.db2.gz	CRCFEBIOYKUOCH-IUCAKERBSA-N	0	1	226.276	0.994	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1ccc2[nH]nnc2c1	ZINC000356828333	134179608	/nfs/dbraw/zinc/17/96/08/134179608.db2.gz	CHDJWQIMNWVXAW-MRVPVSSYSA-N	0	1	232.243	0.235	20	30		BCEDMN
C=C[C@H](CO)NC(=O)CN(C)[C@H]1CCSC1	ZINC000356856872	134180689	/nfs/dbraw/zinc/18/06/89/134180689.db2.gz	QLLCRBFXEOHQHU-ZJUUUORDSA-N	0	1	244.360	0.087	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN(C(C)=O)C[C@@H]1C	ZINC000357309354	134182573	/nfs/dbraw/zinc/18/25/73/134182573.db2.gz	TYRMDTXNWUVLKA-WCQYABFASA-N	0	1	240.347	0.866	20	30		BCEDMN
CCC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000358801431	134192310	/nfs/dbraw/zinc/19/23/10/134192310.db2.gz	DAYZOGBGXAHNHE-SFYZADRCSA-N	0	1	212.249	0.604	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H]1CCN(C)C1	ZINC000360180377	134198977	/nfs/dbraw/zinc/19/89/77/134198977.db2.gz	ISKDLCOZXNTQDQ-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
C[C@@H](O)CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000361505391	134205761	/nfs/dbraw/zinc/20/57/61/134205761.db2.gz	OCNJAHIZVATKMO-ZJUUUORDSA-N	0	1	239.319	0.250	20	30		BCEDMN
CO/N=C/C(=O)N1CCC(c2cnc[nH]2)CC1	ZINC000368043015	134216978	/nfs/dbraw/zinc/21/69/78/134216978.db2.gz	WPWNDPNXVGMMAO-VGOFMYFVSA-N	0	1	236.275	0.748	20	30		BCEDMN
CC#CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC000368976527	134220888	/nfs/dbraw/zinc/22/08/88/134220888.db2.gz	WXUZDFJATLJLCZ-AXFHLTTASA-N	0	1	206.289	0.596	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000373193121	134233498	/nfs/dbraw/zinc/23/34/98/134233498.db2.gz	XSRFJTPQBUEMPW-OPRDCNLKSA-N	0	1	247.302	0.916	20	30		BCEDMN
C[C@H]1CN(CC(=O)NCC#N)CC[C@@H]1C	ZINC000122650591	134240417	/nfs/dbraw/zinc/24/04/17/134240417.db2.gz	PFGOQXYUSGTPCK-UWVGGRQHSA-N	0	1	209.293	0.604	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)CO	ZINC000305431469	134241296	/nfs/dbraw/zinc/24/12/96/134241296.db2.gz	FDNRNIYWUAHMQV-MNOVXSKESA-N	0	1	241.335	0.307	20	30		BCEDMN
N#CCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000377527827	134243868	/nfs/dbraw/zinc/24/38/68/134243868.db2.gz	ZKYUCUMUKGEPCQ-VIFPVBQESA-N	0	1	235.291	0.993	20	30		BCEDMN
N#CCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000377527827	134243869	/nfs/dbraw/zinc/24/38/69/134243869.db2.gz	ZKYUCUMUKGEPCQ-VIFPVBQESA-N	0	1	235.291	0.993	20	30		BCEDMN
C=CCNC(=O)CN1CCOC[C@@H](C)C1	ZINC000378288482	134245793	/nfs/dbraw/zinc/24/57/93/134245793.db2.gz	WBAKORIAXPFCMS-JTQLQIEISA-N	0	1	212.293	0.257	20	30		BCEDMN
CN(C)CC(=O)NC1(C#N)CCCCC1	ZINC000217852114	134250507	/nfs/dbraw/zinc/25/05/07/134250507.db2.gz	WBQAEWOZSJYKKP-UHFFFAOYSA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCNC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000170240767	134251949	/nfs/dbraw/zinc/25/19/49/134251949.db2.gz	KTBCAHWRIOXIDN-ZETCQYMHSA-N	0	1	206.249	0.212	20	30		BCEDMN
C=CCNC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000170240767	134251950	/nfs/dbraw/zinc/25/19/50/134251950.db2.gz	KTBCAHWRIOXIDN-ZETCQYMHSA-N	0	1	206.249	0.212	20	30		BCEDMN
C=CCCCC(=O)NCCN1CCN(C)CC1	ZINC000177493262	134298618	/nfs/dbraw/zinc/29/86/18/134298618.db2.gz	IKDOGFQTDUQVGQ-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C[C@@H](C#N)N1CCC[C@H](CN2CCOCC2)C1	ZINC000181872346	134339848	/nfs/dbraw/zinc/33/98/48/134339848.db2.gz	FZWIDDGGNRZOTO-QWHCGFSZSA-N	0	1	237.347	0.943	20	30		BCEDMN
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C=CCNC(=O)CN1CCCO[C@@H](C)C1	ZINC000170773150	166365036	/nfs/dbraw/zinc/36/50/36/166365036.db2.gz	SWLBBWNGJZLRHB-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCNC(=O)CN[C@H](COC)[C@H]1CCCO1	ZINC000279087929	166370364	/nfs/dbraw/zinc/37/03/64/166370364.db2.gz	OVXJVXGBCWRGOV-GHMZBOCLSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cn[nH]c1	ZINC000273972368	166382356	/nfs/dbraw/zinc/38/23/56/166382356.db2.gz	GWRBWFVPMJLRQM-DTWKUNHWSA-N	0	1	222.292	0.751	20	30		BCEDMN
C=CCOCCNCc1ccnc(OC)n1	ZINC000395160900	410839398	/nfs/dbraw/zinc/83/93/98/410839398.db2.gz	IXGVHSFEGWRNMR-UHFFFAOYSA-N	0	1	223.276	0.777	20	30		BCEDMN
CC#CCCN1CCN(c2nncn2C)CC1	ZINC000653823616	411192878	/nfs/dbraw/zinc/19/28/78/411192878.db2.gz	JQXBVFYKCWIFQJ-UHFFFAOYSA-N	0	1	233.319	0.351	20	30		BCEDMN
C=CCn1cc([C@H](N)[C@@H]2CCCO2)nn1	ZINC000656445845	411255460	/nfs/dbraw/zinc/25/54/60/411255460.db2.gz	WZSQRBPAKPQRDO-UWVGGRQHSA-N	0	1	208.265	0.643	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@H](C)N(C)C	ZINC000654297444	411367129	/nfs/dbraw/zinc/36/71/29/411367129.db2.gz	BOUHOWATNIIQQS-VHSXEESVSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N[C@H](C)CCC	ZINC000662165798	411370470	/nfs/dbraw/zinc/37/04/70/411370470.db2.gz	OZFIGPOHPDUDOM-OUAUKWLOSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC(CC)CC	ZINC000662166302	411370974	/nfs/dbraw/zinc/37/09/74/411370974.db2.gz	ZNNPGTYKKOLUEK-GXSJLCMTSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](CC)CO)nn1	ZINC000657286722	411445651	/nfs/dbraw/zinc/44/56/51/411445651.db2.gz	SCAQYFRKZCPEAT-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCCn1cc(CN[C@@H]2CCC[C@H]2O)nn1	ZINC000657489867	411532924	/nfs/dbraw/zinc/53/29/24/411532924.db2.gz	ZKVZNABSKYDUMK-VXGBXAGGSA-N	0	1	236.319	0.857	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000655136760	411502899	/nfs/dbraw/zinc/50/28/99/411502899.db2.gz	BVYKNMDENGTLKA-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@H](CO)NCc1cc2n(n1)CCC2	ZINC000657436393	411508813	/nfs/dbraw/zinc/50/88/13/411508813.db2.gz	TZVSZRPLORDAOL-SNVBAGLBSA-N	0	1	221.304	0.856	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](C)OC)nn1	ZINC000657448360	411510396	/nfs/dbraw/zinc/51/03/96/411510396.db2.gz	YBNVHUJNVJSEGS-SNVBAGLBSA-N	0	1	224.308	0.979	20	30		BCEDMN
C=CCCN(C)Cc1coc(S(N)(=O)=O)c1	ZINC000660398479	411579038	/nfs/dbraw/zinc/57/90/38/411579038.db2.gz	GFBWJECYKZEZLR-UHFFFAOYSA-N	0	1	244.316	0.935	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1N[C@H]1CON(CC)C1=O	ZINC000660722469	411618880	/nfs/dbraw/zinc/61/88/80/411618880.db2.gz	IVXWJHQVGZBOMF-UTLUCORTSA-N	0	1	226.276	0.082	20	30		BCEDMN
C=CCOCCNC(=O)N(C)Cc1cnc[nH]1	ZINC000661006237	411690016	/nfs/dbraw/zinc/69/00/16/411690016.db2.gz	PNXWKNXWYRJXTH-UHFFFAOYSA-N	0	1	238.291	0.754	20	30		BCEDMN
Cc1[nH]nc(NC(=O)c2cn[nH]c2C)c1C#N	ZINC000357266700	411754456	/nfs/dbraw/zinc/75/44/56/411754456.db2.gz	YLDURLKKXINVIQ-UHFFFAOYSA-N	0	1	230.231	0.874	20	30		BCEDMN
C=CCOCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000661595516	411810151	/nfs/dbraw/zinc/81/01/51/411810151.db2.gz	CFZTUADJRHXKQT-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CCC(c2nnc(N)o2)CC1	ZINC000639726663	411849601	/nfs/dbraw/zinc/84/96/01/411849601.db2.gz	YPFYZUZUPOHGFW-UHFFFAOYSA-N	0	1	208.265	1.017	20	30		BCEDMN
C=CC[C@H](CO)Nc1nc(N)nc2c1CCCC2	ZINC000645211450	411852633	/nfs/dbraw/zinc/85/26/33/411852633.db2.gz	IOAGWVMMYXSVEF-SECBINFHSA-N	0	1	248.330	0.708	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)[C@@](C)(CO)C1	ZINC000662138509	411988156	/nfs/dbraw/zinc/98/81/56/411988156.db2.gz	WTXQJDZMJNDEEZ-ZYHUDNBSSA-N	0	1	226.320	0.239	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000662163431	412012467	/nfs/dbraw/zinc/01/24/67/412012467.db2.gz	AMKCPNQGGJZXIJ-IJLUTSLNSA-N	0	1	240.347	0.627	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@H](C)C(C)C	ZINC000662163482	412012868	/nfs/dbraw/zinc/01/28/68/412012868.db2.gz	CNLZXTCRLBYSCK-NXEZZACHSA-N	0	1	214.309	0.284	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCCCCC	ZINC000662166073	412015003	/nfs/dbraw/zinc/01/50/03/412015003.db2.gz	RLUPPHHTVUIQEI-WDEREUQCSA-N	0	1	228.336	0.818	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N1CCCCC1	ZINC000662167931	412016605	/nfs/dbraw/zinc/01/66/05/412016605.db2.gz	SRBKVHNBZZTYPS-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)[O-]	ZINC000662215680	412030260	/nfs/dbraw/zinc/03/02/60/412030260.db2.gz	HTUGISIMDXWVMB-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)[O-]	ZINC000662215680	412030263	/nfs/dbraw/zinc/03/02/63/412030263.db2.gz	HTUGISIMDXWVMB-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@H](N)COC(C)C	ZINC000662465836	412184858	/nfs/dbraw/zinc/18/48/58/412184858.db2.gz	SNSJARWPPLFZMS-UWVGGRQHSA-N	0	1	214.309	0.820	20	30		BCEDMN
C=CC[C@]1(C(=O)NCc2nnc[n-]2)CCC[NH2+]1	ZINC000662690357	412272191	/nfs/dbraw/zinc/27/21/91/412272191.db2.gz	ZWQBWZYSJHWTSB-LLVKDONJSA-N	0	1	235.291	0.119	20	30		BCEDMN
N#CCC(=O)Nc1ccn(-c2ccncc2)n1	ZINC000356203173	412228066	/nfs/dbraw/zinc/22/80/66/412228066.db2.gz	LAJPBQONUUNBRA-UHFFFAOYSA-N	0	1	227.227	1.119	20	30		BCEDMN
C=CC[C@H]1CCCN(C(=O)[C@H]2CNCCO2)C1	ZINC000662630453	412250194	/nfs/dbraw/zinc/25/01/94/412250194.db2.gz	JMDVXSDRWXWJMD-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CC[C@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1	ZINC000662635106	412250984	/nfs/dbraw/zinc/25/09/84/412250984.db2.gz	JMDVXSDRWXWJMD-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
N#Cc1cc(NCCN2CCCOCC2)ncn1	ZINC000517444794	412253010	/nfs/dbraw/zinc/25/30/10/412253010.db2.gz	CFXGDMQTGVIHIS-UHFFFAOYSA-N	0	1	247.302	0.482	20	30		BCEDMN
CC(C)c1nc(CNc2cc(C#N)cnn2)n[nH]1	ZINC000596249935	412322797	/nfs/dbraw/zinc/32/27/97/412322797.db2.gz	MTYDGHANFWYNEE-UHFFFAOYSA-N	0	1	243.274	1.202	20	30		BCEDMN
CN(C)C(=O)CCN[C@@H]1CCC[C@H]1C#N	ZINC000054828041	172360330	/nfs/dbraw/zinc/36/03/30/172360330.db2.gz	BQHHYQLPYLKQRW-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2ccc(C#N)cn2)C1	ZINC000068806867	173074750	/nfs/dbraw/zinc/07/47/50/173074750.db2.gz	HTNZBOKGJLPFGM-GFCCVEGCSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@H](CNCc2ccc(C#N)o2)C1	ZINC000135182658	173076236	/nfs/dbraw/zinc/07/62/36/173076236.db2.gz	PTKYKLCFOUCMBX-LLVKDONJSA-N	0	1	248.330	0.487	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cnccc3C#N)C[C@H]21	ZINC000329097497	173104543	/nfs/dbraw/zinc/10/45/43/173104543.db2.gz	LPYRPAKPCJNLNY-CHWSQXEVSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cccnc3C#N)C[C@@H]21	ZINC000329704732	173105621	/nfs/dbraw/zinc/10/56/21/173105621.db2.gz	IXLASTHSJXSDST-QWHCGFSZSA-N	0	1	244.298	0.472	20	30		BCEDMN
CNC(=O)[C@@H](C)NCc1cccc(C#N)c1	ZINC000037749369	173294927	/nfs/dbraw/zinc/29/49/27/173294927.db2.gz	NNBAVINOWWRQMI-SECBINFHSA-N	0	1	217.272	0.782	20	30		BCEDMN
C[C@@H](NCC(=O)NC(N)=O)c1ccc(C#N)cc1	ZINC000037749576	175863373	/nfs/dbraw/zinc/86/33/73/175863373.db2.gz	GVXWOLHGDFDCOB-MRVPVSSYSA-N	0	1	246.270	0.404	20	30		BCEDMN
C[C@H]1CN(CCCCC#N)C[C@H](CO)O1	ZINC000191718251	177247850	/nfs/dbraw/zinc/24/78/50/177247850.db2.gz	AOBMXPPSHVKFSH-WDEREUQCSA-N	0	1	212.293	0.762	20	30		BCEDMN
C[C@@H](NC(=O)c1ccc(C#N)nc1)c1nnc[nH]1	ZINC000479624985	225191518	/nfs/dbraw/zinc/19/15/18/225191518.db2.gz	YMYYSTWSVUARGO-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)[C@H]1CCN(C)C1=O	ZINC000671708387	487700725	/nfs/dbraw/zinc/70/07/25/487700725.db2.gz	PHSDPAAKEAPYRR-UWVGGRQHSA-N	0	1	212.293	0.086	20	30		BCEDMN
COCC#CCN(C)CC1=CCCOC1	ZINC000661652746	487802498	/nfs/dbraw/zinc/80/24/98/487802498.db2.gz	BVPMYINNYJYUFX-UHFFFAOYSA-N	0	1	209.289	0.915	20	30		BCEDMN
C=C(CN(C)C)C(=O)N(C)[C@@H](C)C[S@](C)=O	ZINC000791393186	585980158	/nfs/dbraw/zinc/98/01/58/585980158.db2.gz	AKILQZDPHJAEQZ-QFYYESIMSA-N	0	1	246.376	0.330	20	30		BCEDMN
Cn1cnc(NC(=O)c2ccc(C#N)c(O)c2)n1	ZINC000558353168	322948936	/nfs/dbraw/zinc/94/89/36/322948936.db2.gz	PTKPWFWBVDFJKU-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
C=CCCOCC(=O)NCCN1CCC1	ZINC000676948325	487948373	/nfs/dbraw/zinc/94/83/73/487948373.db2.gz	GIRUIKIVJRLRAZ-UHFFFAOYSA-N	0	1	212.293	0.401	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](OC)C1	ZINC000246059236	323008029	/nfs/dbraw/zinc/00/80/29/323008029.db2.gz	ABQZRHGQQULWKO-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C[C@H](CO)N(C)Cc1ccc(C#N)cn1	ZINC000570104962	323050054	/nfs/dbraw/zinc/05/00/54/323050054.db2.gz	RUMXQTPSRVFBGN-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
CC#CCN1CCC[C@]2(CNC(=O)O2)C1	ZINC000364801333	323085390	/nfs/dbraw/zinc/08/53/90/323085390.db2.gz	CVOSSAZBIQFQOQ-NSHDSACASA-N	0	1	208.261	0.584	20	30		BCEDMN
C[C@H](CCC#N)N1CCc2n[nH]nc2C1	ZINC000571050386	323105522	/nfs/dbraw/zinc/10/55/22/323105522.db2.gz	PIMUIGCROOWCMR-MRVPVSSYSA-N	0	1	205.265	0.855	20	30		BCEDMN
Cc1nnc(NC(=O)C2(C#N)CC(C)C2)[nH]1	ZINC000531817692	323114546	/nfs/dbraw/zinc/11/45/46/323114546.db2.gz	SQGXTMLAQBCLTF-UHFFFAOYSA-N	0	1	219.248	0.992	20	30		BCEDMN
Cc1n[nH]c(NC(=O)C2(C#N)CC(C)C2)n1	ZINC000531817692	323114547	/nfs/dbraw/zinc/11/45/47/323114547.db2.gz	SQGXTMLAQBCLTF-UHFFFAOYSA-N	0	1	219.248	0.992	20	30		BCEDMN
N#Cc1cccc(CNC(=O)c2cnn[nH]2)c1	ZINC000048891182	323155846	/nfs/dbraw/zinc/15/58/46/323155846.db2.gz	SLWASKUZKWXGAQ-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
C#CCN1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000052134264	323192547	/nfs/dbraw/zinc/19/25/47/323192547.db2.gz	JHQYIAXXPLTYRA-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
COCCN1CCN(CCCC#N)CC1	ZINC000054187859	323202964	/nfs/dbraw/zinc/20/29/64/323202964.db2.gz	QVPGQFIWQUBCFM-UHFFFAOYSA-N	0	1	211.309	0.554	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN(C2CC2)CC1	ZINC000677047655	487959269	/nfs/dbraw/zinc/95/92/69/487959269.db2.gz	DVDJWUMFZUUEFK-LBPRGKRZSA-N	0	1	210.321	0.703	20	30		BCEDMN
CC#CCN(C)C[C@@H](O)CC(=O)OCC	ZINC000599431090	487961427	/nfs/dbraw/zinc/96/14/27/487961427.db2.gz	QIYPGWDRYQFZKN-JTQLQIEISA-N	0	1	213.277	0.256	20	30		BCEDMN
C=CCNC(=O)C[NH2+]Cc1ccc2nc[nH]c2c1	ZINC000537415135	324068573	/nfs/dbraw/zinc/06/85/73/324068573.db2.gz	IADPVXFLXJPKAG-UHFFFAOYSA-N	0	1	244.298	0.955	20	30		BCEDMN
N#CC1CCN(c2ccncc2C(N)=O)CC1	ZINC000545158595	325180891	/nfs/dbraw/zinc/18/08/91/325180891.db2.gz	XFFANTCOBBISLN-UHFFFAOYSA-N	0	1	230.271	0.920	20	30		BCEDMN
C=CCCC[N@H+](C)CCOCC(=O)[O-]	ZINC000568065746	326303199	/nfs/dbraw/zinc/30/31/99/326303199.db2.gz	FDZHTWBKECBTNQ-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
COCC[C@H](C)N1CCN(C(=O)CC#N)CC1	ZINC000572981949	326422705	/nfs/dbraw/zinc/42/27/05/326422705.db2.gz	GIFSUWKWYSBMFT-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
COCC#CCN1CCC[C@H](CNC(C)=O)C1	ZINC000677133189	487980195	/nfs/dbraw/zinc/98/01/95/487980195.db2.gz	LVMDANWGDARODR-CYBMUJFWSA-N	0	1	238.331	0.484	20	30		BCEDMN
CC(C)c1nc(CNc2ncncc2C#N)n[nH]1	ZINC000516282374	488075387	/nfs/dbraw/zinc/07/53/87/488075387.db2.gz	HXIVDBOQNGRFHK-UHFFFAOYSA-N	0	1	243.274	0.624	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@@](F)(CO)C1	ZINC000670110923	488123537	/nfs/dbraw/zinc/12/35/37/488123537.db2.gz	AOVBGUCAZNBEPX-UWVGGRQHSA-N	0	1	203.257	0.330	20	30		BCEDMN
COCC#CC[N@@H+](CCO)CC(C)(C)C	ZINC000677817027	487505831	/nfs/dbraw/zinc/50/58/31/487505831.db2.gz	FMQSTYKXUKGLFS-UHFFFAOYSA-N	0	1	213.321	0.977	20	30		BCEDMN
COCC#CCN(CC(N)=O)C1CCCC1	ZINC000677818469	487508954	/nfs/dbraw/zinc/50/89/54/487508954.db2.gz	OWWKPVFFGBYTJR-UHFFFAOYSA-N	0	1	224.304	0.366	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(CCO)[C@@H](C)C1	ZINC000681712290	487513951	/nfs/dbraw/zinc/51/39/51/487513951.db2.gz	SVZWPUWEBSYBRF-OLZOCXBDSA-N	0	1	224.348	0.787	20	30		BCEDMN
COCC#CCN1CCC(OCCO)CC1	ZINC000677819608	488134692	/nfs/dbraw/zinc/13/46/92/488134692.db2.gz	DYTCTZGWJDDEHB-UHFFFAOYSA-N	0	1	227.304	0.110	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](C)O[C@@]2(CCOC2)C1	ZINC000684626639	488335285	/nfs/dbraw/zinc/33/52/85/488335285.db2.gz	LNGAVTLLTAGNJB-AGIUHOORSA-N	0	1	241.331	0.803	20	30		BCEDMN
C=CCCOCC(=O)NCCN1CC=CCC1	ZINC000684501941	488322629	/nfs/dbraw/zinc/32/26/29/488322629.db2.gz	CCPNLFWKVKXILS-UHFFFAOYSA-N	0	1	238.331	0.957	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H]1CCCN1C	ZINC000679578386	488359272	/nfs/dbraw/zinc/35/92/72/488359272.db2.gz	GJMLAUPEMHOAGN-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
N#CCCCNc1cc(-n2cccn2)nc(N)n1	ZINC000273306159	490285242	/nfs/dbraw/zinc/28/52/42/490285242.db2.gz	HRGXYEMZKTVCLA-UHFFFAOYSA-N	0	1	243.274	0.960	20	30		BCEDMN
C=C(C)CCN1CCN(c2nccnn2)CC1	ZINC000625644961	490318870	/nfs/dbraw/zinc/31/88/70/490318870.db2.gz	UGGXCGOPDJVCHO-UHFFFAOYSA-N	0	1	233.319	0.960	20	30		BCEDMN
C=CCCC(=O)NCC[N@H+](C)CCOC	ZINC000171127456	491066489	/nfs/dbraw/zinc/06/64/89/491066489.db2.gz	ZYNQWUABKYWLQR-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCCC1	ZINC000843463840	582558525	/nfs/dbraw/zinc/55/85/25/582558525.db2.gz	YICUMEUGBHHVLN-UWVGGRQHSA-N	0	1	221.304	0.794	20	30		BCEDMN
CC(C#N)C(=O)N[C@]1(C)CC(C)(C)OC1=O	ZINC000848151579	582749795	/nfs/dbraw/zinc/74/97/95/582749795.db2.gz	LYDNHJIHCMESST-RDDDGLTNSA-N	0	1	224.260	0.746	20	30		BCEDMN
C=C(CC)CN(C)CC(=O)N1CCOCC1	ZINC000358503700	534370477	/nfs/dbraw/zinc/37/04/77/534370477.db2.gz	DPEKJORORNXXJB-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C=C(CC)CN1CCC(O)(C(=O)OC)CC1	ZINC000358772616	534381619	/nfs/dbraw/zinc/38/16/19/534381619.db2.gz	SORICYWPDLOTTD-UHFFFAOYSA-N	0	1	227.304	0.953	20	30		BCEDMN
CC(=O)NCCCN1CCC(F)(C#N)CC1	ZINC000352464389	534384231	/nfs/dbraw/zinc/38/42/31/534384231.db2.gz	SOHFQGXXWOWOCL-UHFFFAOYSA-N	0	1	227.283	0.840	20	30		BCEDMN
C=C(CC)CN1CC[C@H](S(=O)(=O)NCC)C1	ZINC000358737291	534400273	/nfs/dbraw/zinc/40/02/73/534400273.db2.gz	OFMAUYUVSUFTEY-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
C=CC[C@H](CO)CNc1ncnc2[nH]cnc21	ZINC000340905632	534403207	/nfs/dbraw/zinc/40/32/07/534403207.db2.gz	YYVXSUZEZSXTJI-QMMMGPOBSA-N	0	1	233.275	0.901	20	30		BCEDMN
C=CC1CCN(Cc2nc(=O)n(C)[nH]2)CC1	ZINC000334405907	534529216	/nfs/dbraw/zinc/52/92/16/534529216.db2.gz	HNORIHOCKLGZMM-UHFFFAOYSA-N	0	1	222.292	0.506	20	30		BCEDMN
C=CCCC(=O)NC(C)(C)c1nn[nH]n1	ZINC000359791185	534612588	/nfs/dbraw/zinc/61/25/88/534612588.db2.gz	QGBHEUSLIIKINO-UHFFFAOYSA-N	0	1	209.253	0.517	20	30		BCEDMN
C=C[C@H](C)NC(=O)CSc1nnc(C)[nH]1	ZINC000362613308	534635976	/nfs/dbraw/zinc/63/59/76/534635976.db2.gz	KARXQUNDUBRRKZ-LURJTMIESA-N	0	1	226.305	0.896	20	30		BCEDMN
C=C[C@H](C)NC(=O)CSc1nc(C)n[nH]1	ZINC000362613308	534635984	/nfs/dbraw/zinc/63/59/84/534635984.db2.gz	KARXQUNDUBRRKZ-LURJTMIESA-N	0	1	226.305	0.896	20	30		BCEDMN
C=CCCCC(=O)NC(C)(C)c1nn[nH]n1	ZINC000360121249	534655611	/nfs/dbraw/zinc/65/56/11/534655611.db2.gz	GEXVUXAFXJJEGP-UHFFFAOYSA-N	0	1	223.280	0.907	20	30		BCEDMN
CC(C)(C)NC(=[NH2+])NCc1ncccc1[O-]	ZINC000262427448	534663796	/nfs/dbraw/zinc/66/37/96/534663796.db2.gz	DCIGFKCCWZUNAR-UHFFFAOYSA-N	0	1	222.292	0.990	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCCc2c1cnn2C	ZINC000289976043	534685026	/nfs/dbraw/zinc/68/50/26/534685026.db2.gz	XQSHSEJSPZUHJR-KOLCDFICSA-N	0	1	221.304	0.934	20	30		BCEDMN
C=CCCOCCNCc1cnnn1C	ZINC000120870585	534775634	/nfs/dbraw/zinc/77/56/34/534775634.db2.gz	WEBRNJBOURRSQU-UHFFFAOYSA-N	0	1	210.281	0.497	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)NCCCOC	ZINC000121472588	534817886	/nfs/dbraw/zinc/81/78/86/534817886.db2.gz	GPKRYNYFQHHBHC-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCN(CC)C(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000361034123	534821028	/nfs/dbraw/zinc/82/10/28/534821028.db2.gz	KPMHXMLHNRXLNB-BDAKNGLRSA-N	0	1	220.276	0.943	20	30		BCEDMN
C=CCNC(=O)CN[C@H](C)c1cnn(CC)c1	ZINC000180038219	534859817	/nfs/dbraw/zinc/85/98/17/534859817.db2.gz	ROCOYSRDSLMSFE-SNVBAGLBSA-N	0	1	236.319	0.856	20	30		BCEDMN
C=CCNC(=O)[C@@H]1CN(C(C)C)CCO1	ZINC000370606902	534862749	/nfs/dbraw/zinc/86/27/49/534862749.db2.gz	QDRSMENSLAZAAG-JTQLQIEISA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCOCC(=O)NCCCc1cn[nH]c1C	ZINC000355682010	534869931	/nfs/dbraw/zinc/86/99/31/534869931.db2.gz	LONGHZYOAWDPGC-UHFFFAOYSA-N	0	1	237.303	0.970	20	30		BCEDMN
C=CCOCC(=O)NCCN1CC=CCC1	ZINC000357607719	534869976	/nfs/dbraw/zinc/86/99/76/534869976.db2.gz	OUNQVFBKJHWNMG-UHFFFAOYSA-N	0	1	224.304	0.567	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)CO1	ZINC000892498656	582898469	/nfs/dbraw/zinc/89/84/69/582898469.db2.gz	LJVZWTQIIPHHFJ-LPEHRKFASA-N	0	1	238.287	0.645	20	30		BCEDMN
CC#CCCNC(=O)NCc1cn[nH]c1C	ZINC000471655593	526324068	/nfs/dbraw/zinc/32/40/68/526324068.db2.gz	XEZAOWWWTWNFGQ-UHFFFAOYSA-N	0	1	220.276	0.931	20	30		BCEDMN
C#CCCCN1CCN2C(=O)OC[C@H]2C1	ZINC000494093971	526708593	/nfs/dbraw/zinc/70/85/93/526708593.db2.gz	GCKLEWBROMZHIL-SNVBAGLBSA-N	0	1	208.261	0.536	20	30		BCEDMN
C#CCCCN1CCN2C(=O)OC[C@@H]2C1	ZINC000494093970	526708832	/nfs/dbraw/zinc/70/88/32/526708832.db2.gz	GCKLEWBROMZHIL-JTQLQIEISA-N	0	1	208.261	0.536	20	30		BCEDMN
C=CCOCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000479591940	526711844	/nfs/dbraw/zinc/71/18/44/526711844.db2.gz	NZOMSAPVTADOLB-ZETCQYMHSA-N	0	1	210.237	0.185	20	30		BCEDMN
C#CCN(CC#CC)C[C@H](O)CCOCC	ZINC000491665915	526864841	/nfs/dbraw/zinc/86/48/41/526864841.db2.gz	PRPKNHMDJDNDST-CYBMUJFWSA-N	0	1	223.316	0.732	20	30		BCEDMN
C#CCN(CC)C(=O)CN1CCN(CC)CC1	ZINC000490702275	526887606	/nfs/dbraw/zinc/88/76/06/526887606.db2.gz	ZUMFUHINHZFWRQ-UHFFFAOYSA-N	0	1	237.347	0.106	20	30		BCEDMN
C#CCN1CCC(C(=O)NOC2CCC2)CC1	ZINC000491630382	526928782	/nfs/dbraw/zinc/92/87/82/526928782.db2.gz	QFNIFBJASCSHGE-UHFFFAOYSA-N	0	1	236.315	0.932	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccn(C(C)C)n1	ZINC000491665956	526984671	/nfs/dbraw/zinc/98/46/71/526984671.db2.gz	VLYIAHHAACKLDE-UHFFFAOYSA-N	0	1	248.330	0.693	20	30		BCEDMN
C#CCNC(=O)CN1CCN(CCC(=C)C)CC1	ZINC000491210088	527001936	/nfs/dbraw/zinc/00/19/36/527001936.db2.gz	PTMGZHRQBXGIPC-UHFFFAOYSA-N	0	1	249.358	0.320	20	30		BCEDMN
CCN(CC(=O)N[C@@](C)(C#N)COC)C1CC1	ZINC000505256290	527916220	/nfs/dbraw/zinc/91/62/20/527916220.db2.gz	ZHGXVAXKOZUOMS-LBPRGKRZSA-N	0	1	239.319	0.516	20	30		BCEDMN
CC(C)(C#N)CNC(=O)N1CCNC(C)(C)C1	ZINC000335603937	534993945	/nfs/dbraw/zinc/99/39/45/534993945.db2.gz	MTXHHHCXAMLVTP-UHFFFAOYSA-N	0	1	238.335	0.930	20	30		BCEDMN
CCCC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000355114107	535053257	/nfs/dbraw/zinc/05/32/57/535053257.db2.gz	CRCFEBIOYKUOCH-BDAKNGLRSA-N	0	1	226.276	0.994	20	30		BCEDMN
CC(C)CN1CCN(C(=O)NCCC#N)CC1	ZINC000408366137	535093235	/nfs/dbraw/zinc/09/32/35/535093235.db2.gz	MRQFXECEZBSJMO-UHFFFAOYSA-N	0	1	238.335	0.883	20	30		BCEDMN
CCC[C@@H](NC(=O)CC#N)c1nn[nH]n1	ZINC000356929742	535351524	/nfs/dbraw/zinc/35/15/24/535351524.db2.gz	JNPZJMFRCNSJBB-ZCFIWIBFSA-N	0	1	208.225	0.071	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)Cc1ccn[nH]1	ZINC000121482771	535762636	/nfs/dbraw/zinc/76/26/36/535762636.db2.gz	QJXBPAMGCBMRMI-VIFPVBQESA-N	0	1	220.276	0.960	20	30		BCEDMN
CCN(CC#N)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000264142631	535768177	/nfs/dbraw/zinc/76/81/77/535768177.db2.gz	GNFZZQAVNBMTGY-UHFFFAOYSA-N	0	1	237.219	0.612	20	30		BCEDMN
CN(C)CCNS(=O)(=O)CC1(CC#N)CC1	ZINC000331763371	535891534	/nfs/dbraw/zinc/89/15/34/535891534.db2.gz	OCNSPVJVJZLXNU-UHFFFAOYSA-N	0	1	245.348	0.161	20	30		BCEDMN
CC[C@H](O)[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000358210813	535998335	/nfs/dbraw/zinc/99/83/35/535998335.db2.gz	POFOVIUPXMVSEK-QWRGUYRKSA-N	0	1	239.319	0.252	20	30		BCEDMN
CCc1cnccc1[C@H](C)NCC(=O)NCC#N	ZINC000361119683	536105375	/nfs/dbraw/zinc/10/53/75/536105375.db2.gz	LLMPAQWMAQAJBW-JTQLQIEISA-N	0	1	246.314	0.934	20	30		BCEDMN
C#CCOCCN1CCO[C@H](C(C)C)C1	ZINC000851911529	582979864	/nfs/dbraw/zinc/97/98/64/582979864.db2.gz	XCLGNYBVOWKUTP-LBPRGKRZSA-N	0	1	211.305	0.993	20	30		BCEDMN
COCCON=C(N)CN1CCCC[C@@H]1C	ZINC000111179333	588727791	/nfs/dbraw/zinc/72/77/91/588727791.db2.gz	IMMQTTHCJCVXRE-JTQLQIEISA-N	0	1	229.324	0.796	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cc3n(n2)CCC3)N1	ZINC000853330157	588733678	/nfs/dbraw/zinc/73/36/78/588733678.db2.gz	JZLXPRPUKJKVGE-QMMMGPOBSA-N	0	1	232.291	0.101	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(CO)cc2)N1	ZINC000853329870	588733716	/nfs/dbraw/zinc/73/37/16/588733716.db2.gz	FWEHJLQYIUEPGZ-VIFPVBQESA-N	0	1	232.287	0.450	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn3c2CCC3)N1	ZINC000853329886	588733718	/nfs/dbraw/zinc/73/37/18/588733718.db2.gz	GLSMTNTWPSJUPK-MRVPVSSYSA-N	0	1	232.291	0.101	20	30		BCEDMN
Cc1nc(C=NNC2=NC[C@H](C)N2)[nH]c1C	ZINC000853330492	588733758	/nfs/dbraw/zinc/73/37/58/588733758.db2.gz	NYMZZAYDWRTOHT-LURJTMIESA-N	0	1	220.280	0.298	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2c(C3CC3)cnn2C)N1	ZINC000853330817	588733930	/nfs/dbraw/zinc/73/39/30/588733930.db2.gz	WCBGZHRFFWOOAC-QMMMGPOBSA-N	0	1	246.318	0.569	20	30		BCEDMN
CCn1nnc(C)c1C=NNc1nnc(C)n1C	ZINC000853430686	588741755	/nfs/dbraw/zinc/74/17/55/588741755.db2.gz	HBRXSOKNAITUPU-UHFFFAOYSA-N	0	1	248.294	0.489	20	30		BCEDMN
CCn1nnc(C)c1C=[NH+][N-]c1nnc(C)n1C	ZINC000853430686	588741756	/nfs/dbraw/zinc/74/17/56/588741756.db2.gz	HBRXSOKNAITUPU-UHFFFAOYSA-N	0	1	248.294	0.489	20	30		BCEDMN
Cc1nnc(NN=Cc2ccnc(C)n2)n1C	ZINC000853430974	588741843	/nfs/dbraw/zinc/74/18/43/588741843.db2.gz	MXZMZLUDBZKARE-UHFFFAOYSA-N	0	1	231.263	0.668	20	30		BCEDMN
C#Cc1cnc(N(C)CC2CN(C)C2)nc1	ZINC000853824295	588764911	/nfs/dbraw/zinc/76/49/11/588764911.db2.gz	AXSHQWPREDFDDJ-UHFFFAOYSA-N	0	1	216.288	0.456	20	30		BCEDMN
C#CCOCCOC(=O)C1CCN(CC#C)CC1	ZINC000853899426	588767842	/nfs/dbraw/zinc/76/78/42/588767842.db2.gz	VQJGOABFDNTWIJ-UHFFFAOYSA-N	0	1	249.310	0.525	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCCN1CC=CCC1	ZINC000854076509	588773695	/nfs/dbraw/zinc/77/36/95/588773695.db2.gz	UTHCBUYMRUSNFN-GFCCVEGCSA-N	0	1	235.331	0.959	20	30		BCEDMN
C=CCONC(=O)N(CC)[C@H]1CC[N@@H+](C)C1	ZINC000854118003	588775192	/nfs/dbraw/zinc/77/51/92/588775192.db2.gz	LLWXNEZAIBWLKS-JTQLQIEISA-N	0	1	227.308	0.840	20	30		BCEDMN
C=CCN(CC=C)C(=O)C1=NC(=O)N(C)C1	ZINC000854139680	588776541	/nfs/dbraw/zinc/77/65/41/588776541.db2.gz	HCADDVMMCHNLFE-UHFFFAOYSA-N	0	1	221.260	0.940	20	30		BCEDMN
CC(C)C#CC(=O)NC[C@@H]1CN2CCN1CCC2	ZINC000854354071	588784996	/nfs/dbraw/zinc/78/49/96/588784996.db2.gz	LYKCRWURARDKDW-CYBMUJFWSA-N	0	1	249.358	0.152	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)Cc1ncc[nH]1	ZINC000854664534	588800041	/nfs/dbraw/zinc/80/00/41/588800041.db2.gz	WESKBBZZCFGTPU-UHFFFAOYSA-N	0	1	234.303	0.024	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)Cc1n[nH]c(C)n1	ZINC000854693842	588802227	/nfs/dbraw/zinc/80/22/27/588802227.db2.gz	XKVBIWDUWFLQDZ-NSHDSACASA-N	0	1	220.276	0.574	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N(C)Cc1cnc[nH]1	ZINC000855134860	588822605	/nfs/dbraw/zinc/82/26/05/588822605.db2.gz	BHHRUCYGUKQENI-SECBINFHSA-N	0	1	221.260	0.406	20	30		BCEDMN
C#CC[C@@H](COC)NCc1ccc(C)nn1	ZINC000858334753	582459391	/nfs/dbraw/zinc/45/93/91/582459391.db2.gz	RINZVBYCISXLDX-LBPRGKRZSA-N	0	1	219.288	0.913	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000890550716	582471402	/nfs/dbraw/zinc/47/14/02/582471402.db2.gz	NASBBXDTIXFIAA-DJLDLDEBSA-N	0	1	210.233	0.829	20	30		BCEDMN
C[C@H](C#N)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000855585681	588840356	/nfs/dbraw/zinc/84/03/56/588840356.db2.gz	ANYGSWLAZJFFOG-FTLITQJKSA-N	0	1	223.232	0.555	20	30		BCEDMN
C=CC(C)(C)NC(=O)CCc1nn[nH]n1	ZINC000891267170	582646006	/nfs/dbraw/zinc/64/60/06/582646006.db2.gz	QLBKOVMACRRJLV-UHFFFAOYSA-N	0	1	209.253	0.213	20	30		BCEDMN
CC(C)C#CC(=O)N(C)CC1CN(C)C1	ZINC000855640722	588843069	/nfs/dbraw/zinc/84/30/69/588843069.db2.gz	CHIWUPRTZRUVCZ-UHFFFAOYSA-N	0	1	208.305	0.666	20	30		BCEDMN
C#Cc1cncc(C(=O)N(C)CC2CN(C)C2)c1	ZINC000855642431	588843204	/nfs/dbraw/zinc/84/32/04/588843204.db2.gz	XPCGCDXKMPALQG-UHFFFAOYSA-N	0	1	243.310	0.697	20	30		BCEDMN
C[C@H](O)CNN=C1CCCN2CCCC[C@@H]12	ZINC000848409662	582766880	/nfs/dbraw/zinc/76/68/80/582766880.db2.gz	CJYMBHDHLJVNJP-JQWIXIFHSA-N	0	1	225.336	0.961	20	30		BCEDMN
C=CCCONC(=O)C1CN(CC(F)F)C1	ZINC000856035217	588857931	/nfs/dbraw/zinc/85/79/31/588857931.db2.gz	YVDRTYZAPPDVNU-UHFFFAOYSA-N	0	1	234.246	0.807	20	30		BCEDMN
C#CCCN1CCN(c2cc(NC)ncn2)CC1	ZINC000892316401	582839368	/nfs/dbraw/zinc/83/93/68/582839368.db2.gz	YRVAKOPCSZVUQB-UHFFFAOYSA-N	0	1	245.330	0.664	20	30		BCEDMN
O=C(NO)c1ccc(-c2nnc[nH]2)cc1	ZINC000782171329	582868232	/nfs/dbraw/zinc/86/82/32/582868232.db2.gz	AQLOZBDAAXVZDP-UHFFFAOYSA-N	0	1	204.189	0.591	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COC1CC1	ZINC000892501940	582899158	/nfs/dbraw/zinc/89/91/58/582899158.db2.gz	SVPPALHXHYDPKH-VIFPVBQESA-N	0	1	224.260	0.399	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000856200746	588864662	/nfs/dbraw/zinc/86/46/62/588864662.db2.gz	PJDAPSRYARCHFC-MRTMQBJTSA-N	0	1	223.232	0.414	20	30		BCEDMN
C#CCSCC(=O)N(C)CC1CN(C)C1	ZINC000892872679	583001144	/nfs/dbraw/zinc/00/11/44/583001144.db2.gz	ZYCDJHUJGMZGEK-UHFFFAOYSA-N	0	1	226.345	0.373	20	30		BCEDMN
C=C(C)[C@@H](CC(=O)N(C)c1nn[nH]n1)OCC	ZINC000892954375	583019084	/nfs/dbraw/zinc/01/90/84/583019084.db2.gz	JABYKACERHPQLB-MRVPVSSYSA-N	0	1	239.279	0.534	20	30		BCEDMN
Cn1nncc1N=NCc1cn(C2CCC2)nn1	ZINC000853352132	583039870	/nfs/dbraw/zinc/03/98/70/583039870.db2.gz	ILZVUQWLQKXUKW-UHFFFAOYSA-N	0	1	246.278	0.578	20	30		BCEDMN
C=CCNC(=O)CNCc1cn(C)nc1C1CC1	ZINC000893317387	583099603	/nfs/dbraw/zinc/09/96/03/583099603.db2.gz	GCSHFQKLJALBNF-UHFFFAOYSA-N	0	1	248.330	0.689	20	30		BCEDMN
C#C[C@H](NCCn1ccccc1=O)[C@@H]1CCCO1	ZINC000775792009	583104597	/nfs/dbraw/zinc/10/45/97/583104597.db2.gz	PNGSUVCXERFBJB-STQMWFEESA-N	0	1	246.310	0.619	20	30		BCEDMN
COc1ccc(F)cc1C=NNC1=NCCN1	ZINC000841659852	583165008	/nfs/dbraw/zinc/16/50/08/583165008.db2.gz	MTVGVHXJEPVCPP-UHFFFAOYSA-N	0	1	236.250	0.717	20	30		BCEDMN
CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)CC#N	ZINC000893871981	583237735	/nfs/dbraw/zinc/23/77/35/583237735.db2.gz	JMOFNTWPAMGZGG-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)[C@H](C)CC#N	ZINC000893871981	583237737	/nfs/dbraw/zinc/23/77/37/583237737.db2.gz	JMOFNTWPAMGZGG-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
Cc1[nH]nc(CN2CCN(CC#N)CC2)c1C	ZINC000893993723	583267194	/nfs/dbraw/zinc/26/71/94/583267194.db2.gz	TVELYCHJPZLSMF-UHFFFAOYSA-N	0	1	233.319	0.668	20	30		BCEDMN
C=CCOCCNC(=O)NCc1n[nH]c(C)n1	ZINC000894094846	583299675	/nfs/dbraw/zinc/29/96/75/583299675.db2.gz	GXVSQIZYKZLLAW-UHFFFAOYSA-N	0	1	239.279	0.115	20	30		BCEDMN
C#CCOCCNC(=O)C(C)(C)c1cnc[nH]1	ZINC000857177864	588891800	/nfs/dbraw/zinc/89/18/00/588891800.db2.gz	WKNCWFSNTLYMPA-UHFFFAOYSA-N	0	1	235.287	0.453	20	30		BCEDMN
C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C#N)o2)C1	ZINC000814145974	583342833	/nfs/dbraw/zinc/34/28/33/583342833.db2.gz	PMUJWTJGGWAMCY-ONGXEEELSA-N	0	1	245.282	0.927	20	30		BCEDMN
C#CC[C@@H]1NC(=O)N(C[C@H]2CCN2CC)C1=O	ZINC000877880762	583352530	/nfs/dbraw/zinc/35/25/30/583352530.db2.gz	IPNCMTUYQWQNHL-ZJUUUORDSA-N	0	1	235.287	0.024	20	30		BCEDMN
Cn1ccc(CNC[C@H](O)CC(C)(C)C#N)n1	ZINC000857237953	588900945	/nfs/dbraw/zinc/90/09/45/588900945.db2.gz	YEUUSJOCEWSCFP-LLVKDONJSA-N	0	1	236.319	0.810	20	30		BCEDMN
Cn1c2ccc(C=NNC(=N)N)cc2sc1=O	ZINC000814796375	583371136	/nfs/dbraw/zinc/37/11/36/583371136.db2.gz	AEPJUFDJFAYKII-UHFFFAOYSA-N	0	1	249.299	0.417	20	30		BCEDMN
C=CCOCCCOC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840672587	583414293	/nfs/dbraw/zinc/41/42/93/583414293.db2.gz	BWJVWZCXFORLSF-RKDXNWHRSA-N	0	1	229.232	0.788	20	30		BCEDMN
CN(C(=O)NCCC#N)[C@@H]1CCC[N@@H+](C)C1	ZINC000894486172	583471803	/nfs/dbraw/zinc/47/18/03/583471803.db2.gz	SOQBNKLAFQIIGJ-SNVBAGLBSA-N	0	1	224.308	0.636	20	30		BCEDMN
COC[C@H](C)CN1CCN(C(=O)CC#N)CC1	ZINC000895065270	583577879	/nfs/dbraw/zinc/57/78/79/583577879.db2.gz	ACACFDIRQVEOFW-LLVKDONJSA-N	0	1	239.319	0.327	20	30		BCEDMN
C[C@H](CCC#N)CN1CCN(C(=O)CC#N)CC1	ZINC000895065967	583577937	/nfs/dbraw/zinc/57/79/37/583577937.db2.gz	LIAPVLJNJRNRFC-GFCCVEGCSA-N	0	1	248.330	0.984	20	30		BCEDMN
O=C1[C@@H](NC2CSC2)CCCN1O	ZINC000895163182	583611226	/nfs/dbraw/zinc/61/12/26/583611226.db2.gz	RYYIXWTUJCDNMF-ZETCQYMHSA-N	0	1	202.279	0.072	20	30		BCEDMN
C=CCONC(=O)NCc1n[nH]c(C)n1	ZINC000895248232	583631971	/nfs/dbraw/zinc/63/19/71/583631971.db2.gz	KXZXQUUEQJBCIE-UHFFFAOYSA-N	0	1	211.225	0.030	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1Cc1cccc(C#N)n1	ZINC000895325863	583651094	/nfs/dbraw/zinc/65/10/94/583651094.db2.gz	VEIWFKXVZMAOOK-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
C#CCCCN1CCc2cnc(N)nc2C1	ZINC000857923572	588924321	/nfs/dbraw/zinc/92/43/21/588924321.db2.gz	HDXABYHLIGJEDV-UHFFFAOYSA-N	0	1	216.288	0.830	20	30		BCEDMN
C#CC1(O)CCN(Cc2cn(C)nc2CC)CC1	ZINC000895384999	583663576	/nfs/dbraw/zinc/66/35/76/583663576.db2.gz	XJRSBHCKWMXMPL-UHFFFAOYSA-N	0	1	247.342	0.943	20	30		BCEDMN
C=CCNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000895474723	583679311	/nfs/dbraw/zinc/67/93/11/583679311.db2.gz	YAUOTXSIPZEWSN-JTQLQIEISA-N	0	1	210.277	0.009	20	30		BCEDMN
C=C(C)CONC(=O)NCc1n[nH]c(C)n1	ZINC000895579238	583694684	/nfs/dbraw/zinc/69/46/84/583694684.db2.gz	KVSSEBKBDCEUFV-UHFFFAOYSA-N	0	1	225.252	0.420	20	30		BCEDMN
C[C@@H]1[C@@H](Nc2c(C#N)cnn2C)CC[N@H+]1C	ZINC000895736508	583718368	/nfs/dbraw/zinc/71/83/68/583718368.db2.gz	JWKFQFNTCQTUAE-SCZZXKLOSA-N	0	1	219.292	0.796	20	30		BCEDMN
CN1CC[C@@H]1CNc1ccc(C#N)c(N)n1	ZINC000895769066	583724370	/nfs/dbraw/zinc/72/43/70/583724370.db2.gz	MRSYOXNFLGMOPG-SECBINFHSA-N	0	1	217.276	0.651	20	30		BCEDMN
C#CCN1CCC(Nc2ncc(C#C)cn2)CC1	ZINC000895812205	583733278	/nfs/dbraw/zinc/73/32/78/583733278.db2.gz	OGRVYVSFKOOGCF-UHFFFAOYSA-N	0	1	240.310	0.967	20	30		BCEDMN
C#CCSCC(=O)NCc1cnc[nH]1	ZINC000896497934	583807177	/nfs/dbraw/zinc/80/71/77/583807177.db2.gz	SLEYZMWNJIFMFL-UHFFFAOYSA-N	0	1	209.274	0.392	20	30		BCEDMN
N#CCCCNC(=O)c1cncc2nc[nH]c21	ZINC000897368034	583942885	/nfs/dbraw/zinc/94/28/85/583942885.db2.gz	MNRJPGMITKMRQH-UHFFFAOYSA-N	0	1	229.243	0.991	20	30		BCEDMN
C=CCCN(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897517572	583999805	/nfs/dbraw/zinc/99/98/05/583999805.db2.gz	VSDYXDJZTZUCBX-LBPRGKRZSA-N	0	1	238.331	0.742	20	30		BCEDMN
C[N@H+]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000729522045	584017451	/nfs/dbraw/zinc/01/74/51/584017451.db2.gz	GHSICTJLMFWDHY-ZETCQYMHSA-N	0	1	244.258	0.043	20	30		BCEDMN
C#C[C@H](CC)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897555679	584018208	/nfs/dbraw/zinc/01/82/08/584018208.db2.gz	VWQDNNHCDPFHIX-NEPJUHHUSA-N	0	1	236.315	0.235	20	30		BCEDMN
C#CCSCC(=O)NCCN1CC=CCC1	ZINC000897621362	584032648	/nfs/dbraw/zinc/03/26/48/584032648.db2.gz	YYQMVMFLHXDFAE-UHFFFAOYSA-N	0	1	238.356	0.731	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000897648651	584034893	/nfs/dbraw/zinc/03/48/93/584034893.db2.gz	CZVXEDQCGJWOCZ-GHMZBOCLSA-N	0	1	240.347	0.912	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CC[N@@H+]1C(C)(C)C	ZINC000897811466	584046385	/nfs/dbraw/zinc/04/63/85/584046385.db2.gz	CRUGTAVQYPFIQE-SECBINFHSA-N	0	1	210.277	0.540	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898146150	584086734	/nfs/dbraw/zinc/08/67/34/584086734.db2.gz	ZXIRWGLPQQCLFH-ZETCQYMHSA-N	0	1	221.264	0.706	20	30		BCEDMN
C#CC1(NC(=O)NCc2n[nH]c(C)n2)CCCC1	ZINC000898347193	584111798	/nfs/dbraw/zinc/11/17/98/584111798.db2.gz	KYYUDLSVSPBBEL-UHFFFAOYSA-N	0	1	247.302	0.858	20	30		BCEDMN
Cc1nc(CNC(=O)N(C)C[C@H](C)C#N)n[nH]1	ZINC000898370653	584112841	/nfs/dbraw/zinc/11/28/41/584112841.db2.gz	IWIFIQNDHMWIAL-SSDOTTSWSA-N	0	1	236.279	0.414	20	30		BCEDMN
C#CCSCC(=O)N(C)Cc1cnc[nH]1	ZINC000898578362	584143514	/nfs/dbraw/zinc/14/35/14/584143514.db2.gz	KJTQPNXYUOPGEO-UHFFFAOYSA-N	0	1	223.301	0.735	20	30		BCEDMN
C=C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000898706278	584153494	/nfs/dbraw/zinc/15/34/94/584153494.db2.gz	VWMLKKGHLCPYBN-RKDXNWHRSA-N	0	1	203.245	0.912	20	30		BCEDMN
C=C1CN(C(=O)CN2CCN(CC)CC2)C1	ZINC000898698761	584155391	/nfs/dbraw/zinc/15/53/91/584155391.db2.gz	RKBSGEOCIUOJHB-UHFFFAOYSA-N	0	1	223.320	0.022	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1[nH]nc2c1C[C@H](C)CC2	ZINC000898986672	584168467	/nfs/dbraw/zinc/16/84/67/584168467.db2.gz	PIXAOIPZKDATAC-RKDXNWHRSA-N	0	1	249.314	0.811	20	30		BCEDMN
C#CC(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000899158182	584178578	/nfs/dbraw/zinc/17/85/78/584178578.db2.gz	DCEFFQFLKRWXQY-UHFFFAOYSA-N	0	1	206.249	0.352	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2ncccn2)C1=O	ZINC000899347355	584199996	/nfs/dbraw/zinc/19/99/96/584199996.db2.gz	RAOMWVILXMGLKP-SECBINFHSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CCCc1cc(=O)n(C(COC)COC)[nH]1	ZINC000899357601	584206017	/nfs/dbraw/zinc/20/60/17/584206017.db2.gz	LBDSZJRVIAETLD-UHFFFAOYSA-N	0	1	238.287	0.650	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1	ZINC000900741045	584347525	/nfs/dbraw/zinc/34/75/25/584347525.db2.gz	GELUIWDERNCNOG-WCQYABFASA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000900743340	584348055	/nfs/dbraw/zinc/34/80/55/584348055.db2.gz	WPUMEWMPSFDOLD-NHCYSSNCSA-N	0	1	226.320	0.522	20	30		BCEDMN
C[C@H](NC(=O)C#CC1CC1)[C@@H]1CN(C)CCN1C	ZINC000900809872	584355730	/nfs/dbraw/zinc/35/57/30/584355730.db2.gz	FBFFLVPCGGOTAT-AAEUAGOBSA-N	0	1	249.358	0.150	20	30		BCEDMN
C#CCN(CC#CC)C(=O)Cc1c[nH]cn1	ZINC000900855340	584357937	/nfs/dbraw/zinc/35/79/37/584357937.db2.gz	GMHRXADJTSJPTH-UHFFFAOYSA-N	0	1	215.256	0.437	20	30		BCEDMN
C[C@@H]1C[NH+]=C(NN=Cc2ccc(C(=O)[O-])nc2)N1	ZINC000901215309	584401459	/nfs/dbraw/zinc/40/14/59/584401459.db2.gz	JHESWSRAKQOWAN-SSDOTTSWSA-N	0	1	247.258	0.051	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn(C3CCC3)c2)N1	ZINC000901215656	584401464	/nfs/dbraw/zinc/40/14/64/584401464.db2.gz	LITLTOCKNMUFCK-SECBINFHSA-N	0	1	246.318	0.879	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccnn1C1CCC1	ZINC000901252813	584410149	/nfs/dbraw/zinc/41/01/49/584410149.db2.gz	ORJGSUZHKVKFKZ-UHFFFAOYSA-N	0	1	246.318	0.881	20	30		BCEDMN
CC(=NN[C@@H]1CCC[C@H]1O)c1c[nH]c(N)n1	ZINC000901252259	584410299	/nfs/dbraw/zinc/41/02/99/584410299.db2.gz	CGZQOVPYMIDKKI-VXNVDRBHSA-N	0	1	223.280	0.219	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(F)c(O)c1	ZINC000901252898	584410319	/nfs/dbraw/zinc/41/03/19/584410319.db2.gz	RBHZCXIEDLAKFJ-UHFFFAOYSA-N	0	1	236.250	0.804	20	30		BCEDMN
C#CCCOC(=O)N[C@H]1CCCN(C)C1	ZINC000858915796	588984789	/nfs/dbraw/zinc/98/47/89/588984789.db2.gz	ITIRSXCQPFZRCS-JTQLQIEISA-N	0	1	210.277	0.830	20	30		BCEDMN
N#CCC[C@@H](C#N)CNCCO[C@@H]1CCOC1	ZINC000901616125	584469978	/nfs/dbraw/zinc/46/99/78/584469978.db2.gz	KVDIQLCIICLIJC-NWDGAFQWSA-N	0	1	237.303	0.825	20	30		BCEDMN
C[C@@H](NCCOCCO)c1cc(C#N)ccn1	ZINC000902725702	584660973	/nfs/dbraw/zinc/66/09/73/584660973.db2.gz	FAVNSJIONMYYAL-SNVBAGLBSA-N	0	1	235.287	0.613	20	30		BCEDMN
C=C(C)C[C@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000903095724	584729274	/nfs/dbraw/zinc/72/92/74/584729274.db2.gz	XQVFVCUTLWAKQE-NXEZZACHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000903617816	584787383	/nfs/dbraw/zinc/78/73/83/584787383.db2.gz	UCMLYYXQIYJPKI-GUBZILKMSA-N	0	1	231.267	0.811	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000903617816	584787384	/nfs/dbraw/zinc/78/73/84/584787384.db2.gz	UCMLYYXQIYJPKI-GUBZILKMSA-N	0	1	231.267	0.811	20	30		BCEDMN
C#CC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000829810415	584907845	/nfs/dbraw/zinc/90/78/45/584907845.db2.gz	PSNRKUVWCMTNJO-SNVBAGLBSA-N	0	1	234.303	0.344	20	30		BCEDMN
C#CC[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000829810415	584907846	/nfs/dbraw/zinc/90/78/46/584907846.db2.gz	PSNRKUVWCMTNJO-SNVBAGLBSA-N	0	1	234.303	0.344	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833373831	584912807	/nfs/dbraw/zinc/91/28/07/584912807.db2.gz	FBVZDUCDWHKUFP-VHSXEESVSA-N	0	1	241.287	0.901	20	30		BCEDMN
COCCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CC1	ZINC000834479610	584913591	/nfs/dbraw/zinc/91/35/91/584913591.db2.gz	GSOILLKMHIBAAS-ZJUUUORDSA-N	0	1	237.303	0.031	20	30		BCEDMN
C[C@@H]1CC/C(=C/C(=O)N[C@@H]2CNC[C@@H]2C#N)C1	ZINC000834500541	584913610	/nfs/dbraw/zinc/91/36/10/584913610.db2.gz	UKPCOKMICOVSJD-MSUBTLRASA-N	0	1	233.315	0.961	20	30		BCEDMN
C[C@H]1C[N@@H+](C)CC1=NOC[C@H]1CCOC1	ZINC000788037700	584928077	/nfs/dbraw/zinc/92/80/77/584928077.db2.gz	XQRXRUGMBMJYDL-UWVGGRQHSA-N	0	1	212.293	0.977	20	30		BCEDMN
C[C@H]1CN(C)CC1=NOC[C@H]1CCOC1	ZINC000788037700	584928078	/nfs/dbraw/zinc/92/80/78/584928078.db2.gz	XQRXRUGMBMJYDL-UWVGGRQHSA-N	0	1	212.293	0.977	20	30		BCEDMN
C=CCCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732090655	584933531	/nfs/dbraw/zinc/93/35/31/584933531.db2.gz	LIIPEURJEAXOQR-MRVPVSSYSA-N	0	1	237.263	0.066	20	30		BCEDMN
Cc1ccc(F)c2c1C(=NNC(=N)N)C(=O)N2	ZINC000732710478	584939876	/nfs/dbraw/zinc/93/98/76/584939876.db2.gz	OYKAPUXMODTABD-UHFFFAOYSA-N	0	1	235.222	0.273	20	30		BCEDMN
CC(C#N)C(=O)NCC(=O)OCC1CC1	ZINC000733895852	584954422	/nfs/dbraw/zinc/95/44/22/584954422.db2.gz	YEJVANHCFPJAQD-SSDOTTSWSA-N	0	1	210.233	0.215	20	30		BCEDMN
C=CCCOCC(=O)NC(C)(C)c1c[nH]nn1	ZINC000734332236	584959993	/nfs/dbraw/zinc/95/99/93/584959993.db2.gz	MMNWUNLCFBQENI-UHFFFAOYSA-N	0	1	238.291	0.749	20	30		BCEDMN
CCN(C)c1ccc(C=NNC[C@H](C)O)cn1	ZINC000814966196	584971088	/nfs/dbraw/zinc/97/10/88/584971088.db2.gz	RENKAKHSCIBZEM-JTQLQIEISA-N	0	1	236.319	0.842	20	30		BCEDMN
CC(C)(C#N)CCn1cnc(-c2nn[nH]n2)n1	ZINC000735571303	584979490	/nfs/dbraw/zinc/97/94/90/584979490.db2.gz	BJUNTSDCTOFRJP-UHFFFAOYSA-N	0	1	232.251	0.398	20	30		BCEDMN
CCc1cc(CNC(=O)[C@@H](C)C#N)n[nH]1	ZINC000736680623	585009573	/nfs/dbraw/zinc/00/95/73/585009573.db2.gz	APQCMVSDRBABOS-ZETCQYMHSA-N	0	1	206.249	0.748	20	30		BCEDMN
N#Cc1cc(C(=O)NCc2c[nH]nn2)ccn1	ZINC000619438562	585017702	/nfs/dbraw/zinc/01/77/02/585017702.db2.gz	ZMPPYXCPAGCHQZ-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cc(C)n[nH]1)[C@H]1CCCO1	ZINC000772893196	585018363	/nfs/dbraw/zinc/01/83/63/585018363.db2.gz	SHVLZRDIVWKSKH-NWDGAFQWSA-N	0	1	247.298	0.558	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2nccs2)N1	ZINC000814898179	585023353	/nfs/dbraw/zinc/02/33/53/585023353.db2.gz	RHFPBBVRZUBMKR-ZCFIWIBFSA-N	0	1	209.278	0.414	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)NCc1ccccc1	ZINC000841507139	585040809	/nfs/dbraw/zinc/04/08/09/585040809.db2.gz	VVCQJICMOJFRTN-NEPJUHHUSA-N	0	1	244.298	0.597	20	30		BCEDMN
C=CCONC(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000838706864	585065518	/nfs/dbraw/zinc/06/55/18/585065518.db2.gz	DFXINNIBNXJGGX-SECBINFHSA-N	0	1	213.281	0.497	20	30		BCEDMN
C=CCONC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000838709203	585066290	/nfs/dbraw/zinc/06/62/90/585066290.db2.gz	RVRYZMPGEODDRR-SSDOTTSWSA-N	0	1	239.279	0.845	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839527458	585134525	/nfs/dbraw/zinc/13/45/25/585134525.db2.gz	JNFXNKAFELHTFJ-BWZBUEFSSA-N	0	1	211.221	0.270	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839527459	585134542	/nfs/dbraw/zinc/13/45/42/585134542.db2.gz	JNFXNKAFELHTFJ-XLPZGREQSA-N	0	1	211.221	0.270	20	30		BCEDMN
Cc1cc(C=NNC(=N)N)ccc1-n1cncn1	ZINC000743417652	585136411	/nfs/dbraw/zinc/13/64/11/585136411.db2.gz	MKBFLKLGUKCVPE-UHFFFAOYSA-N	0	1	243.274	0.393	20	30		BCEDMN
C#CC[N@@H+](CC#CC)CCCN1CCOC1=O	ZINC000743852463	585140982	/nfs/dbraw/zinc/14/09/82/585140982.db2.gz	QCCHKAGJKFKGBP-UHFFFAOYSA-N	0	1	234.299	0.787	20	30		BCEDMN
C#CCN(CC#CC)CCCN1CCOC1=O	ZINC000743852463	585140983	/nfs/dbraw/zinc/14/09/83/585140983.db2.gz	QCCHKAGJKFKGBP-UHFFFAOYSA-N	0	1	234.299	0.787	20	30		BCEDMN
N#C[C@@H](C(=O)C1=COCC1)C(=O)N1CCCC1	ZINC000744024400	585142199	/nfs/dbraw/zinc/14/21/99/585142199.db2.gz	VBXQXQIWRNFHAR-JTQLQIEISA-N	0	1	234.255	0.622	20	30		BCEDMN
C#CCNC(=O)CN1CCN(C)C[C@H]1C(C)C	ZINC000746462012	585168462	/nfs/dbraw/zinc/16/84/62/585168462.db2.gz	JWQQDSORMIGBGN-LBPRGKRZSA-N	0	1	237.347	0.008	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc(COC)cc1	ZINC000746514383	585169671	/nfs/dbraw/zinc/16/96/71/585169671.db2.gz	YNQTYEIZCBRWEY-UHFFFAOYSA-N	0	1	246.310	0.672	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2cnc[nH]2)cn1	ZINC000748322198	585190538	/nfs/dbraw/zinc/19/05/38/585190538.db2.gz	VLFAPGMNJHAYFE-UHFFFAOYSA-N	0	1	226.239	0.716	20	30		BCEDMN
C#CCOCCN(C)[C@H]1CCCCNC1=O	ZINC000839530724	585199200	/nfs/dbraw/zinc/19/92/00/585199200.db2.gz	DTVCMJLLVBGKEH-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
CO[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000750395413	585214141	/nfs/dbraw/zinc/21/41/41/585214141.db2.gz	NYBRFJWGGLZSRR-IONNQARKSA-N	0	1	224.260	0.399	20	30		BCEDMN
Cc1cc(=O)[n-]c(N=NC2C[N@@H+](C)C[C@H]2C)n1	ZINC000752158465	585242845	/nfs/dbraw/zinc/24/28/45/585242845.db2.gz	YWLYFTXPZZBPJH-SSDOTTSWSA-N	0	1	235.291	0.840	20	30		BCEDMN
Cc1cc(=O)[n-]c(N=NC2C[N@H+](C)C[C@H]2C)n1	ZINC000752158465	585242846	/nfs/dbraw/zinc/24/28/46/585242846.db2.gz	YWLYFTXPZZBPJH-SSDOTTSWSA-N	0	1	235.291	0.840	20	30		BCEDMN
C#CCOCCNC(=O)c1[nH]nc(C)c1C	ZINC000753230576	585255061	/nfs/dbraw/zinc/25/50/61/585255061.db2.gz	IKAKEBYQBGXPIP-UHFFFAOYSA-N	0	1	221.260	0.406	20	30		BCEDMN
C#CCOCCNC(=O)[C@@H]1CCCCN1C	ZINC000753240196	585255844	/nfs/dbraw/zinc/25/58/44/585255844.db2.gz	OUFQXESRSAHNCB-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C[C@H]1CSCCN(CC(=O)NCCC#N)C1	ZINC000753837728	585270487	/nfs/dbraw/zinc/27/04/87/585270487.db2.gz	NOIFNZWRNOLSNS-SNVBAGLBSA-N	0	1	241.360	0.701	20	30		BCEDMN
C#CC(=O)Nc1ccc(N2CCN(C)CC2)cn1	ZINC000753944016	585272775	/nfs/dbraw/zinc/27/27/75/585272775.db2.gz	RPKOOJRWVNVCBN-UHFFFAOYSA-N	0	1	244.298	0.405	20	30		BCEDMN
CC(C)N1CC(=NN[C@@H](C)CO)[C@@H](C)C1	ZINC000754256316	585281355	/nfs/dbraw/zinc/28/13/55/585281355.db2.gz	HBDPBRCCOWIYMP-UWVGGRQHSA-N	0	1	213.325	0.673	20	30		BCEDMN
CCc1nc(COC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000754837379	585291483	/nfs/dbraw/zinc/29/14/83/585291483.db2.gz	SMWKQSTYRDDZAU-UHFFFAOYSA-N	0	1	245.242	0.924	20	30		BCEDMN
CCCC=Nn1c(=O)c(C)n[nH]c1=S	ZINC000755511290	585300863	/nfs/dbraw/zinc/30/08/63/585300863.db2.gz	PQHUBWWEJGJRPQ-UHFFFAOYSA-N	0	1	212.278	0.869	20	30		BCEDMN
COc1ccnc(N=NCc2cnc[nH]2)n1	ZINC000755640187	585303131	/nfs/dbraw/zinc/30/31/31/585303131.db2.gz	LSFKKMMNMHHUEM-UHFFFAOYSA-N	0	1	218.220	0.654	20	30		BCEDMN
c1nc2c([n-]1)ncnc2N=NCc1c[nH]c[nH+]1	ZINC000755662778	585303818	/nfs/dbraw/zinc/30/38/18/585303818.db2.gz	UJZMBWLDDZMNSB-UHFFFAOYSA-N	0	1	228.219	0.522	20	30		BCEDMN
Cn1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)nn1	ZINC000755815231	585307927	/nfs/dbraw/zinc/30/79/27/585307927.db2.gz	QISOVEDVWYLRFU-NXEZZACHSA-N	0	1	247.306	0.009	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C1CCOCC1	ZINC000756518185	585320339	/nfs/dbraw/zinc/32/03/39/585320339.db2.gz	VYXGWODEGAYBHN-WCBMZHEXSA-N	0	1	238.287	0.504	20	30		BCEDMN
C#C[C@H](N[C@H]1CCCNC1=O)[C@@H]1CCCO1	ZINC000839563301	585331384	/nfs/dbraw/zinc/33/13/84/585331384.db2.gz	HAVRUUQUNJYMJX-DCAQKATOSA-N	0	1	222.288	0.035	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839782825	585341561	/nfs/dbraw/zinc/34/15/61/585341561.db2.gz	QPKHOLROTBWVGG-KYXWUPHJSA-N	0	1	240.259	0.501	20	30		BCEDMN
C#Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1	ZINC000839789579	585342318	/nfs/dbraw/zinc/34/23/18/585342318.db2.gz	BLIKYEVXAXENMR-VXGBXAGGSA-N	0	1	244.250	0.949	20	30		BCEDMN
C#CCNC(=S)N1CCN(CCC)CC1	ZINC000758196043	585351650	/nfs/dbraw/zinc/35/16/50/585351650.db2.gz	SKRKUTJYSJSMMF-UHFFFAOYSA-N	0	1	225.361	0.522	20	30		BCEDMN
C#CCNC(=S)N1CCN(C2CCC2)CC1	ZINC000758232125	585352375	/nfs/dbraw/zinc/35/23/75/585352375.db2.gz	ZEWTYPZOKUTTFA-UHFFFAOYSA-N	0	1	237.372	0.664	20	30		BCEDMN
NC(=O)CNN=Cc1ccc(N2CCCC2)nc1	ZINC000758887951	585361183	/nfs/dbraw/zinc/36/11/83/585361183.db2.gz	HZXLOMFRCDRXEG-UHFFFAOYSA-N	0	1	247.302	0.091	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1(C)CC1	ZINC000759432224	585372991	/nfs/dbraw/zinc/37/29/91/585372991.db2.gz	UJYJDRHOOSDZHT-SECBINFHSA-N	0	1	238.287	0.648	20	30		BCEDMN
C#CCCCC(=O)OCc1n[nH]c(C)n1	ZINC000759579851	585376675	/nfs/dbraw/zinc/37/66/75/585376675.db2.gz	MAZUGBBJHNLNCD-UHFFFAOYSA-N	0	1	207.233	0.960	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)CC(N)=O)c1	ZINC000759720402	585379253	/nfs/dbraw/zinc/37/92/53/585379253.db2.gz	DEEHEDRASSLJTQ-UHFFFAOYSA-N	0	1	219.200	0.078	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)C(=O)NC2CC2)c1	ZINC000759721060	585379424	/nfs/dbraw/zinc/37/94/24/585379424.db2.gz	ZYHSKCGEEMDHBD-UHFFFAOYSA-N	0	1	245.238	0.481	20	30		BCEDMN
N#C[C@H](OC(=O)CCc1nc[nH]n1)C1CC1	ZINC000759846997	585381252	/nfs/dbraw/zinc/38/12/52/585381252.db2.gz	CDVDTFVXGKOSTD-QMMMGPOBSA-N	0	1	220.232	0.583	20	30		BCEDMN
CC[C@H](C#N)OC(=O)CCc1nc[nH]n1	ZINC000759864706	585381565	/nfs/dbraw/zinc/38/15/65/585381565.db2.gz	LQBJYYKYVZAOFE-SSDOTTSWSA-N	0	1	208.221	0.583	20	30		BCEDMN
C=CCC[C@@H](O)CN(CC)CC(=O)NC	ZINC000760847817	585399697	/nfs/dbraw/zinc/39/96/97/585399697.db2.gz	SELMLUJMAJISQU-SNVBAGLBSA-N	0	1	214.309	0.381	20	30		BCEDMN
Cn1cc(NN=Cc2nccn2C)cn1	ZINC000761864157	585420939	/nfs/dbraw/zinc/42/09/39/585420939.db2.gz	FJFLNHVXALSFQJ-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
C[C@H]1CC(N=Nc2cnn(C)c2)CN1C	ZINC000761881107	585421943	/nfs/dbraw/zinc/42/19/43/585421943.db2.gz	JLJMWFDKYTWAFS-QMMMGPOBSA-N	0	1	207.281	0.912	20	30		BCEDMN
C#C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCO1	ZINC000763780910	585454150	/nfs/dbraw/zinc/45/41/50/585454150.db2.gz	OFKLTURGDNJEKW-WOPDTQHZSA-N	0	1	249.310	0.853	20	30		BCEDMN
C#CCNC(=O)CN1CCC(CC)(CO)CC1	ZINC000764484628	585466523	/nfs/dbraw/zinc/46/65/23/585466523.db2.gz	GLAFVYBAJMMYHT-UHFFFAOYSA-N	0	1	238.331	0.220	20	30		BCEDMN
CC#CC(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000764534584	585467207	/nfs/dbraw/zinc/46/72/07/585467207.db2.gz	DCJSGPBHRWNARJ-NSHDSACASA-N	0	1	208.305	0.808	20	30		BCEDMN
CC#CC(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000764534582	585467452	/nfs/dbraw/zinc/46/74/52/585467452.db2.gz	DCJSGPBHRWNARJ-LLVKDONJSA-N	0	1	208.305	0.808	20	30		BCEDMN
CCN(CC(=O)NC1=NO[C@H](C)C1)C1CC1	ZINC000765371525	585484482	/nfs/dbraw/zinc/48/44/82/585484482.db2.gz	FOBINUWOJFDDEH-MRVPVSSYSA-N	0	1	225.292	0.709	20	30		BCEDMN
C#Cc1ccc(C(=O)N=C2C[C@@H](C)ON2)nc1	ZINC000765378029	585484777	/nfs/dbraw/zinc/48/47/77/585484777.db2.gz	ZSAVKOAXBPHFOH-MRVPVSSYSA-N	0	1	229.239	0.915	20	30		BCEDMN
CCC[N@@H+](C)CC(=O)NC1=NO[C@H](C)C1	ZINC000765384667	585485224	/nfs/dbraw/zinc/48/52/24/585485224.db2.gz	POCKPXWLVJODRP-MRVPVSSYSA-N	0	1	213.281	0.567	20	30		BCEDMN
C1C[C@H]2C(=NNC3CCOCC3)CCN2C1	ZINC000765581786	585490086	/nfs/dbraw/zinc/49/00/86/585490086.db2.gz	AFKJFTDAKSWQON-LBPRGKRZSA-N	0	1	223.320	0.979	20	30		BCEDMN
C#CCC(C)(C)C(=O)N(C)Cc1nnc[nH]1	ZINC000767091729	585513962	/nfs/dbraw/zinc/51/39/62/585513962.db2.gz	LXWFHLAHSHPYFN-UHFFFAOYSA-N	0	1	220.276	0.813	20	30		BCEDMN
CCCn1cc(C(=O)NC2=NO[C@@H](C)C2)nn1	ZINC000767153097	585515001	/nfs/dbraw/zinc/51/50/01/585515001.db2.gz	LQJLLTONCRKDOO-ZETCQYMHSA-N	0	1	237.263	0.540	20	30		BCEDMN
N=C(N)NN=Cc1cc(-c2ccccc2)n[nH]1	ZINC000767743661	585525468	/nfs/dbraw/zinc/52/54/68/585525468.db2.gz	KLBYCBSIGJAMCM-UHFFFAOYSA-N	0	1	228.259	0.894	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCOC(C)(C)C	ZINC000767905488	585528195	/nfs/dbraw/zinc/52/81/95/585528195.db2.gz	OXNCQLYFKDQVNT-LLVKDONJSA-N	0	1	240.347	0.871	20	30		BCEDMN
C#CCC(C)(C)C(=O)N1CCc2[nH]nnc2C1	ZINC000768716884	585542282	/nfs/dbraw/zinc/54/22/82/585542282.db2.gz	PAXRLCGPOTUVKQ-UHFFFAOYSA-N	0	1	232.287	0.739	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)NCCC#N	ZINC000768765877	585542933	/nfs/dbraw/zinc/54/29/33/585542933.db2.gz	VNXHLHZFULTWOG-WDEREUQCSA-N	0	1	238.335	0.041	20	30		BCEDMN
N#CC(C(=O)Cc1ccco1)C(=O)NC1CC1	ZINC000772646102	585619770	/nfs/dbraw/zinc/61/97/70/585619770.db2.gz	QVJMERJEQJUGHY-JTQLQIEISA-N	0	1	232.239	0.810	20	30		BCEDMN
C#C[C@@H](NC(=O)c1[nH]nc(C)c1C)[C@@H]1CCCO1	ZINC000772883422	585626251	/nfs/dbraw/zinc/62/62/51/585626251.db2.gz	SDHHNMNNZGBSOR-MNOVXSKESA-N	0	1	247.298	0.937	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1CCCN1C)[C@@H]1CCCO1	ZINC000772889049	585626551	/nfs/dbraw/zinc/62/65/51/585626551.db2.gz	FYOVOCHGJLZXQY-SRVKXCTJSA-N	0	1	236.315	0.378	20	30		BCEDMN
C=Cn1cc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000773078060	585630910	/nfs/dbraw/zinc/63/09/10/585630910.db2.gz	FERVTMVXTKABKG-QMMMGPOBSA-N	0	1	218.264	0.255	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1cc(CC)[nH]n1	ZINC000773591814	585641272	/nfs/dbraw/zinc/64/12/72/585641272.db2.gz	COFUMLAEEFRHAM-MRVPVSSYSA-N	0	1	220.276	0.793	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C)(COC)CC1	ZINC000773727519	585642949	/nfs/dbraw/zinc/64/29/49/585642949.db2.gz	NLTRLLJPVBSOME-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
CON=CC(=O)N1CCN(CC2CC2)CC1	ZINC000773843227	585644867	/nfs/dbraw/zinc/64/48/67/585644867.db2.gz	ZIFCRGKPRDJOLK-UHFFFAOYSA-N	0	1	225.292	0.173	20	30		BCEDMN
CC(C)N1CC(=NN=c2cc[nH]n2C)[C@H](C)C1	ZINC000774408164	585657584	/nfs/dbraw/zinc/65/75/84/585657584.db2.gz	AMTQVHFTVVGODG-SNVBAGLBSA-N	0	1	235.335	0.970	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NC1CC1)[C@@H]1CCCO1	ZINC000775784279	585684835	/nfs/dbraw/zinc/68/48/35/585684835.db2.gz	HKSBBQNYYAIVDA-DLOVCJGASA-N	0	1	236.315	0.424	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NC1CC1)[C@H]1CCCO1	ZINC000775784281	585684893	/nfs/dbraw/zinc/68/48/93/585684893.db2.gz	HKSBBQNYYAIVDA-ZMLRMANQSA-N	0	1	236.315	0.424	20	30		BCEDMN
C#C[C@H](NCc1n[nH]c(CC)n1)[C@H]1CCCO1	ZINC000775790606	585684918	/nfs/dbraw/zinc/68/49/18/585684918.db2.gz	QIZYKWXLKMWLIN-VHSXEESVSA-N	0	1	234.303	0.638	20	30		BCEDMN
CCn1nccc1C(=O)NC1=NO[C@@H](C)C1	ZINC000775886671	585687316	/nfs/dbraw/zinc/68/73/16/585687316.db2.gz	RAGDQWPCSCVBCC-ZETCQYMHSA-N	0	1	222.248	0.755	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)C1	ZINC000776519184	585699699	/nfs/dbraw/zinc/69/96/99/585699699.db2.gz	YXBCUQVGSCARGH-XHNCKOQMSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCCN1CCN(CC#CCOC)CC1	ZINC000776593378	585702150	/nfs/dbraw/zinc/70/21/50/585702150.db2.gz	UTSRLPQEAPSACP-UHFFFAOYSA-N	0	1	220.316	0.277	20	30		BCEDMN
C#CCCN1CCN(Cc2cc(C)n(C)n2)CC1	ZINC000776594820	585702347	/nfs/dbraw/zinc/70/23/47/585702347.db2.gz	WTKURBMELKICEV-UHFFFAOYSA-N	0	1	246.358	0.869	20	30		BCEDMN
C#CCCN1CCN(Cc2cncn2C)CC1	ZINC000776592802	585702491	/nfs/dbraw/zinc/70/24/91/585702491.db2.gz	AHIFHJRRZMSYDB-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@H]2CCCN2C)=NO1	ZINC000777434761	585712083	/nfs/dbraw/zinc/71/20/83/585712083.db2.gz	AWIUFANKBMGCNR-JGVFFNPUSA-N	0	1	211.265	0.319	20	30		BCEDMN
C#CCN1CCN(C(=O)CN(C)CC(=C)C)CC1	ZINC000778231643	585728511	/nfs/dbraw/zinc/72/85/11/585728511.db2.gz	NAPIHXIFXQLISL-UHFFFAOYSA-N	0	1	249.358	0.272	20	30		BCEDMN
C#CCNC(=O)CN(C)C[C@H]1CCCC[C@@H]1O	ZINC000778247756	585729204	/nfs/dbraw/zinc/72/92/04/585729204.db2.gz	XTMDRMNKXORASZ-NEPJUHHUSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)CCN(C)C1CC1	ZINC000808306717	585733949	/nfs/dbraw/zinc/73/39/49/585733949.db2.gz	ACDXMJMBYRVJHZ-UHFFFAOYSA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CCNCC(=O)NCCOc1ccc(C)cc1	ZINC000779328416	585751230	/nfs/dbraw/zinc/75/12/30/585751230.db2.gz	RNTINVCIMCGGRF-UHFFFAOYSA-N	0	1	246.310	0.713	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@H](C)N2)cc1	ZINC000779781031	585762700	/nfs/dbraw/zinc/76/27/00/585762700.db2.gz	AHDOPEDOEQTURP-VIFPVBQESA-N	0	1	232.287	0.966	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2c[nH]c3ncccc23)N1	ZINC000779791185	585763700	/nfs/dbraw/zinc/76/37/00/585763700.db2.gz	GRLQIOCSVWVJCQ-QMMMGPOBSA-N	0	1	242.286	0.834	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)cc2)N1	ZINC000779791396	585763912	/nfs/dbraw/zinc/76/39/12/585763912.db2.gz	IPIHNCGXWGVXDF-QMMMGPOBSA-N	0	1	218.260	0.663	20	30		BCEDMN
Cc1ccc(O)c(C=NNC2=NC[C@@H](C)N2)n1	ZINC000779792281	585763938	/nfs/dbraw/zinc/76/39/38/585763938.db2.gz	KMTXPYCJIVMJPO-MRVPVSSYSA-N	0	1	233.275	0.367	20	30		BCEDMN
CCc1ncc(C=NNC2=NC[C@H](C)N2)s1	ZINC000779793926	585763982	/nfs/dbraw/zinc/76/39/82/585763982.db2.gz	CFWYKAXKIMAIDD-ZETCQYMHSA-N	0	1	237.332	0.977	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccnc2)N1	ZINC000779792813	585764041	/nfs/dbraw/zinc/76/40/41/585764041.db2.gz	PKMCRKOFYBNKSK-QMMMGPOBSA-N	0	1	203.249	0.353	20	30		BCEDMN
CCn1nccc1C=NNC1=NC[C@H](C)N1	ZINC000779793310	585764113	/nfs/dbraw/zinc/76/41/13/585764113.db2.gz	ZQYPYNASNGAPQQ-QMMMGPOBSA-N	0	1	220.280	0.174	20	30		BCEDMN
COc1cc(C)nc(C=NNC2=NC[C@H](C)N2)c1	ZINC000779794455	585764266	/nfs/dbraw/zinc/76/42/66/585764266.db2.gz	HTVBKIMMFNBWSK-VIFPVBQESA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cc(F)ccc2O)N1	ZINC000779794273	585764524	/nfs/dbraw/zinc/76/45/24/585764524.db2.gz	GACDRDGGGJWCDK-ZETCQYMHSA-N	0	1	236.250	0.803	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCc3cc(O)ccc32)N1	ZINC000780242858	585774508	/nfs/dbraw/zinc/77/45/08/585774508.db2.gz	IDGQDINFUOAMLO-MRVPVSSYSA-N	0	1	244.298	0.980	20	30		BCEDMN
CCNC(=O)CC(=O)Nc1cc(C#N)ccc1O	ZINC000780992995	585788082	/nfs/dbraw/zinc/78/80/82/585788082.db2.gz	AXRKFRBCTIOUNG-UHFFFAOYSA-N	0	1	247.254	0.729	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cccc(C(N)=O)n2)NO1	ZINC000782028007	585807072	/nfs/dbraw/zinc/80/70/72/585807072.db2.gz	FDXRTFOQBDBNII-ZCFIWIBFSA-N	0	1	248.242	0.033	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2ncn[nH]2)nc1	ZINC000782028251	585807084	/nfs/dbraw/zinc/80/70/84/585807084.db2.gz	ZNSHRMOKDJWKFQ-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2nc[nH]n2)nc1	ZINC000782028251	585807085	/nfs/dbraw/zinc/80/70/85/585807085.db2.gz	ZNSHRMOKDJWKFQ-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
C=CCNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784490208	585861045	/nfs/dbraw/zinc/86/10/45/585861045.db2.gz	CTRFCWGGLDOQEN-IUCAKERBSA-N	0	1	226.251	0.992	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784493885	585861309	/nfs/dbraw/zinc/86/13/09/585861309.db2.gz	TXFLJMDDGNYVCQ-RNFRBKRXSA-N	0	1	200.213	0.435	20	30		BCEDMN
CC(C)[C@@H](F)C(=O)[C@@H](C#N)C(=O)NC1CC1	ZINC000784491567	585861349	/nfs/dbraw/zinc/86/13/49/585861349.db2.gz	VWWAFSBOYTUXKD-RKDXNWHRSA-N	0	1	226.251	0.968	20	30		BCEDMN
COCCONC(=O)c1ccc(C#N)c(O)c1	ZINC000785411166	585873068	/nfs/dbraw/zinc/87/30/68/585873068.db2.gz	JHELLERGCPCQJF-UHFFFAOYSA-N	0	1	236.227	0.572	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@H]1C=C	ZINC000785997706	585884972	/nfs/dbraw/zinc/88/49/72/585884972.db2.gz	QUSADBBCEYLUQL-LLVKDONJSA-N	0	1	206.289	0.776	20	30		BCEDMN
CC(C)(C#N)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000786307399	585889412	/nfs/dbraw/zinc/88/94/12/585889412.db2.gz	MZYPXACKCUYEOX-SECBINFHSA-N	0	1	233.271	0.914	20	30		BCEDMN
CC[C@H](CC#N)OC(=O)CCc1nc[nH]n1	ZINC000787089305	585901041	/nfs/dbraw/zinc/90/10/41/585901041.db2.gz	FUGGUIUQOZGGOM-MRVPVSSYSA-N	0	1	222.248	0.973	20	30		BCEDMN
C#CCCC[N@@H+]1CCCN(CCOC)C(=O)C1	ZINC000787366437	585907919	/nfs/dbraw/zinc/90/79/19/585907919.db2.gz	KAKIMOZLBFBNBB-UHFFFAOYSA-N	0	1	238.331	0.581	20	30		BCEDMN
C#CCCCN1CCCN(CCOC)C(=O)C1	ZINC000787366437	585907920	/nfs/dbraw/zinc/90/79/20/585907920.db2.gz	KAKIMOZLBFBNBB-UHFFFAOYSA-N	0	1	238.331	0.581	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc(C)nn1C	ZINC000789036564	585933991	/nfs/dbraw/zinc/93/39/91/585933991.db2.gz	GKXSQXQKBKXWSB-MRVPVSSYSA-N	0	1	234.307	0.390	20	30		BCEDMN
Cc1nn(CCN2CCCC2)c(=O)c(C#N)c1C	ZINC000789893458	585952585	/nfs/dbraw/zinc/95/25/85/585952585.db2.gz	YTMBDUTZNPDUKC-UHFFFAOYSA-N	0	1	246.314	0.828	20	30		BCEDMN
N#Cc1ccsc1C(=O)Nc1c[nH]nn1	ZINC000789926835	585953515	/nfs/dbraw/zinc/95/35/15/585953515.db2.gz	YEGOKNPQDUMGFS-UHFFFAOYSA-N	0	1	219.229	0.990	20	30		BCEDMN
Cn1ccnc1NN=Cc1cnc2ncccn12	ZINC000790299836	585962806	/nfs/dbraw/zinc/96/28/06/585962806.db2.gz	KRZWZAIMHHVYLD-UHFFFAOYSA-N	0	1	241.258	0.909	20	30		BCEDMN
C#CCOCCNC(=O)c1ccc2cncn2c1	ZINC000790947839	585970695	/nfs/dbraw/zinc/97/06/95/585970695.db2.gz	ZENWXCGLPHAUKF-UHFFFAOYSA-N	0	1	243.266	0.714	20	30		BCEDMN
CC#CC(=O)NC[C@@H]1CN(CC(C)C)CCO1	ZINC000791199234	585975262	/nfs/dbraw/zinc/97/52/62/585975262.db2.gz	IMSVYFVOTDMLJF-GFCCVEGCSA-N	0	1	238.331	0.483	20	30		BCEDMN
Cc1nc(C)c(C=NNC2=NC[C@@H](C)N2)o1	ZINC000793040308	586008809	/nfs/dbraw/zinc/00/88/09/586008809.db2.gz	SXCOSYMGLBAJNS-ZCFIWIBFSA-N	0	1	221.264	0.563	20	30		BCEDMN
Fc1cncnc1N=NCc1cnc[nH]1	ZINC000793211248	586013932	/nfs/dbraw/zinc/01/39/32/586013932.db2.gz	SWFBKFREEVJAGO-UHFFFAOYSA-N	0	1	206.184	0.785	20	30		BCEDMN
C=CCNC(=O)CN[C@H](C)c1cc(C)nn1C	ZINC000793545021	586022431	/nfs/dbraw/zinc/02/24/31/586022431.db2.gz	RHMAJUDNDMLIIH-SNVBAGLBSA-N	0	1	236.319	0.681	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)c1ncn[nH]1	ZINC000794162199	586033923	/nfs/dbraw/zinc/03/39/23/586033923.db2.gz	QSRFFCZGVDRJTB-SECBINFHSA-N	0	1	205.221	0.227	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)c1nc[nH]n1	ZINC000794162199	586033924	/nfs/dbraw/zinc/03/39/24/586033924.db2.gz	QSRFFCZGVDRJTB-SECBINFHSA-N	0	1	205.221	0.227	20	30		BCEDMN
CC(C)n1nccc1C=NNC1=NC[C@@H](C)N1	ZINC000794532086	586042430	/nfs/dbraw/zinc/04/24/30/586042430.db2.gz	ZZMFYGUNAPWZEJ-SECBINFHSA-N	0	1	234.307	0.735	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1cncnc1	ZINC000794977143	586060830	/nfs/dbraw/zinc/06/08/30/586060830.db2.gz	YARJXGXLIGPZSP-QMMMGPOBSA-N	0	1	205.265	0.826	20	30		BCEDMN
CN1CCC(=NNc2ncccc2F)C1=O	ZINC000794984410	586061847	/nfs/dbraw/zinc/06/18/47/586061847.db2.gz	KODDSHOCKXUPOU-UHFFFAOYSA-N	0	1	222.223	0.851	20	30		BCEDMN
CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)NC	ZINC000796644631	586109408	/nfs/dbraw/zinc/10/94/08/586109408.db2.gz	XOJIZHVGHFXYIE-NRPADANISA-N	0	1	226.276	0.502	20	30		BCEDMN
N#CC(C(=O)COC(F)F)C(=O)NC1CC1	ZINC000796792357	586113028	/nfs/dbraw/zinc/11/30/28/586113028.db2.gz	HCCPQHKTHVLJSL-LURJTMIESA-N	0	1	232.186	0.213	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)[C@@H]1CCCCN1C	ZINC000799070770	586155573	/nfs/dbraw/zinc/15/55/73/586155573.db2.gz	SJCWVAHNBFKNPO-RYUDHWBXSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C1CCN([C@@H]2CCC(=O)NC2=O)CC1	ZINC000799122497	586159383	/nfs/dbraw/zinc/15/93/83/586159383.db2.gz	QEFPQVKIOAKIGK-SECBINFHSA-N	0	1	208.261	0.444	20	30		BCEDMN
C#CCCCN1CCOC[C@@]12CCOC2	ZINC000799347863	586172841	/nfs/dbraw/zinc/17/28/41/586172841.db2.gz	PTVJJRFFEYMJGR-LBPRGKRZSA-N	0	1	209.289	0.891	20	30		BCEDMN
Cc1ccc(=NNC2=CC(=O)N3CCC[C@@H]23)[nH]n1	ZINC000799479856	586178497	/nfs/dbraw/zinc/17/84/97/586178497.db2.gz	JOMAGCJBINDVAE-JTQLQIEISA-N	0	1	245.286	0.948	20	30		BCEDMN
O=C1C=C(NN=c2ncc(F)c[nH]2)[C@H]2CCCN12	ZINC000799482884	586178565	/nfs/dbraw/zinc/17/85/65/586178565.db2.gz	RGGFHDITANPJTD-SECBINFHSA-N	0	1	249.249	0.778	20	30		BCEDMN
Cc1cc(NNC2=CC(=O)N3CCC[C@H]23)ncn1	ZINC000799480056	586178803	/nfs/dbraw/zinc/17/88/03/586178803.db2.gz	FIBASCUSWCPXKB-SNVBAGLBSA-N	0	1	245.286	0.948	20	30		BCEDMN
CC#CC(=O)N1CCN(CC(C)(C)O)C[C@H]1C	ZINC000801216194	586248497	/nfs/dbraw/zinc/24/84/97/586248497.db2.gz	PQJYKSNEVILNOF-LLVKDONJSA-N	0	1	238.331	0.313	20	30		BCEDMN
CSc1nc(=O)n(CCO[C@@H](C)C#N)[nH]1	ZINC000801659244	586268696	/nfs/dbraw/zinc/26/86/96/586268696.db2.gz	XAJUYBWVWDQHKL-LURJTMIESA-N	0	1	228.277	0.222	20	30		BCEDMN
COC[C@H](C#N)OC(=O)[C@@H](C(C)C)N(C)C	ZINC000803701935	586369953	/nfs/dbraw/zinc/36/99/53/586369953.db2.gz	YUTFSDCNJPPOFC-VHSXEESVSA-N	0	1	228.292	0.654	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(CC)C[C@@H]1C	ZINC000804382208	586394507	/nfs/dbraw/zinc/39/45/07/586394507.db2.gz	YOYKHKDAECIANH-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCOCCN1CCO[C@@H]2CCC[C@@H]21	ZINC000859642525	589051663	/nfs/dbraw/zinc/05/16/63/589051663.db2.gz	YJPUYXOJRPXDKX-NWDGAFQWSA-N	0	1	209.289	0.890	20	30		BCEDMN
CCN1CCN(C(=O)C=NOC)C[C@H]1C	ZINC000809734269	586515216	/nfs/dbraw/zinc/51/52/16/586515216.db2.gz	CCZMIPKOYQVGEJ-SECBINFHSA-N	0	1	213.281	0.171	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCc1cc(CC)[nH]n1	ZINC000810394443	586538863	/nfs/dbraw/zinc/53/88/63/586538863.db2.gz	YFEIJKCKTAONQW-GFCCVEGCSA-N	0	1	237.303	0.915	20	30		BCEDMN
Cn1cc(C=NNc2ccccn2)c(=O)[nH]1	ZINC000814214497	586617751	/nfs/dbraw/zinc/61/77/51/586617751.db2.gz	FFBAZBDJRDEWMB-UHFFFAOYSA-N	0	1	217.232	0.967	20	30		BCEDMN
Cc1cc(NN=Cc2cn(C)[nH]c2=O)nc(C)n1	ZINC000814217571	586617990	/nfs/dbraw/zinc/61/79/90/586617990.db2.gz	CZOJWJCCUFMTKX-UHFFFAOYSA-N	0	1	246.274	0.979	20	30		BCEDMN
Cc1c[nH]nc1CN=Nc1nccn(C)c1=O	ZINC000814863342	586639602	/nfs/dbraw/zinc/63/96/02/586639602.db2.gz	KGZREUOGKSAGBQ-UHFFFAOYSA-N	0	1	232.247	0.258	20	30		BCEDMN
CCc1nocc1C=NNC1=NC[C@@H](C)N1	ZINC000814897328	586645158	/nfs/dbraw/zinc/64/51/58/586645158.db2.gz	HRCSSXGWSICZMA-SSDOTTSWSA-N	0	1	221.264	0.508	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2nc(C#N)cs2)N1	ZINC000814897196	586645168	/nfs/dbraw/zinc/64/51/68/586645168.db2.gz	GVNRIMNWJPWUAA-LURJTMIESA-N	0	1	234.288	0.286	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cccc(CO)c1	ZINC000814897809	586645887	/nfs/dbraw/zinc/64/58/87/586645887.db2.gz	NBSFIMNAGMWLKK-VIFPVBQESA-N	0	1	246.314	0.840	20	30		BCEDMN
OCCNN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000814943861	586657318	/nfs/dbraw/zinc/65/73/18/586657318.db2.gz	LJMZHIPJBRDEAL-UHFFFAOYSA-N	0	1	222.170	0.344	20	30		BCEDMN
O=C([O-])CN[NH+]=Cc1cnc(N2CCCC2)nc1	ZINC000814957224	586658298	/nfs/dbraw/zinc/65/82/98/586658298.db2.gz	XEAADAWVAQPREU-UHFFFAOYSA-N	0	1	249.274	0.085	20	30		BCEDMN
Cn1nncc1N=NCc1nccs1	ZINC000814984422	586662441	/nfs/dbraw/zinc/66/24/41/586662441.db2.gz	YFVVEJXZNOMGLU-UHFFFAOYSA-N	0	1	208.250	0.718	20	30		BCEDMN
Cc1cnn(C)c1CN=Nc1cnnn1C	ZINC000814980037	586662617	/nfs/dbraw/zinc/66/26/17/586662617.db2.gz	WOUWZYRNDHLJNM-UHFFFAOYSA-N	0	1	219.252	0.303	20	30		BCEDMN
CCC(=NNc1cnnn1C)c1cnn(C)c1	ZINC000814979501	586662766	/nfs/dbraw/zinc/66/27/66/586662766.db2.gz	JYNSMBJOQRLENG-UHFFFAOYSA-N	0	1	233.279	0.775	20	30		BCEDMN
Cn1nncc1NN=C1CCCc2n[nH]cc21	ZINC000814981862	586663204	/nfs/dbraw/zinc/66/32/04/586663204.db2.gz	KFITWUHQXIGKFR-UHFFFAOYSA-N	0	1	231.263	0.691	20	30		BCEDMN
Cn1nncc1N=NCc1cccc2c1OCO2	ZINC000814981371	586663216	/nfs/dbraw/zinc/66/32/16/586663216.db2.gz	FBBFPQJMKLUWRH-UHFFFAOYSA-N	0	1	245.242	0.990	20	30		BCEDMN
Cn1nncc1N=NCc1ccc(C(N)=O)cc1	ZINC000814983292	586663499	/nfs/dbraw/zinc/66/34/99/586663499.db2.gz	HLFSLGZZJKSYTK-UHFFFAOYSA-N	0	1	244.258	0.360	20	30		BCEDMN
CN(CCOCCC#N)[C@H]1CCCCNC1=O	ZINC000815037665	586664644	/nfs/dbraw/zinc/66/46/44/586664644.db2.gz	RSPKQDWBENKYLP-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
COCC#CCN1CCC2(CC1)OCCCO2	ZINC000815156645	586670789	/nfs/dbraw/zinc/67/07/89/586670789.db2.gz	BDCVMSQQQMCWGB-UHFFFAOYSA-N	0	1	239.315	0.865	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F	ZINC000815912092	586697180	/nfs/dbraw/zinc/69/71/80/586697180.db2.gz	YZVMRYZBVGSKEZ-PHDIDXHHSA-N	0	1	218.203	0.733	20	30		BCEDMN
C#CCCCC(=O)NC[C@H]1CN2CCN1CCC2	ZINC000816531403	586739026	/nfs/dbraw/zinc/73/90/26/586739026.db2.gz	QGVNBJTTXSDBKK-ZDUSSCGKSA-N	0	1	249.358	0.296	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000816674143	586754023	/nfs/dbraw/zinc/75/40/23/586754023.db2.gz	RWBXMRTXDJKXSS-VHSXEESVSA-N	0	1	247.298	0.330	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000816672532	586754250	/nfs/dbraw/zinc/75/42/50/586754250.db2.gz	CKGXKVFTXDZAMT-LBPRGKRZSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000817165640	586784784	/nfs/dbraw/zinc/78/47/84/586784784.db2.gz	OGCLTFVKIMNKFG-WDEREUQCSA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000817680984	586817789	/nfs/dbraw/zinc/81/77/89/586817789.db2.gz	BLZYQACLFKKKJK-VHSXEESVSA-N	0	1	229.276	0.099	20	30		BCEDMN
CCOC[C@@H](O)CNCc1ccc(C#N)cn1	ZINC000819310494	586950245	/nfs/dbraw/zinc/95/02/45/586950245.db2.gz	BEYPZYXAFWOTTM-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
C=CCn1cc(CNC[C@@H](O)C2CC2)nn1	ZINC000819381310	586959844	/nfs/dbraw/zinc/95/98/44/586959844.db2.gz	AGIKYUZLHYUPMZ-LLVKDONJSA-N	0	1	222.292	0.325	20	30		BCEDMN
C#CC[N@H+](CC(=O)NCC(=O)[O-])C1CCCC1	ZINC000819701078	586987392	/nfs/dbraw/zinc/98/73/92/586987392.db2.gz	ZSBNPPBIFVGYAZ-UHFFFAOYSA-N	0	1	238.287	0.065	20	30		BCEDMN
C[C@H]1C[N@@H+](C2CC2)CC1=NNCCC(=O)[O-]	ZINC000820245655	587038293	/nfs/dbraw/zinc/03/82/93/587038293.db2.gz	PKGFXUVEEJVTQR-QMMMGPOBSA-N	0	1	225.292	0.521	20	30		BCEDMN
C[C@H]1C[N@H+](C2CC2)CC1=NNCCC(=O)[O-]	ZINC000820245655	587038295	/nfs/dbraw/zinc/03/82/95/587038295.db2.gz	PKGFXUVEEJVTQR-QMMMGPOBSA-N	0	1	225.292	0.521	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000820423000	587047863	/nfs/dbraw/zinc/04/78/63/587047863.db2.gz	QCGWTRYAMIWYPL-RNFRBKRXSA-N	0	1	207.237	0.187	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000820653916	587062434	/nfs/dbraw/zinc/06/24/34/587062434.db2.gz	CMLTZTFBYJZXPM-BDAKNGLRSA-N	0	1	235.291	0.967	20	30		BCEDMN
C#CC(C)(C)N(C)S(=O)(=O)c1ncc[nH]1	ZINC000820796450	587073005	/nfs/dbraw/zinc/07/30/05/587073005.db2.gz	KDTOYQUUTJLWOQ-UHFFFAOYSA-N	0	1	227.289	0.442	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000821567144	587129055	/nfs/dbraw/zinc/12/90/55/587129055.db2.gz	GGDXAYXLFRWTST-JGVFFNPUSA-N	0	1	221.264	0.577	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)CN1CCCC1	ZINC000821955943	587147849	/nfs/dbraw/zinc/14/78/49/587147849.db2.gz	ZRRAZBZJTUDGHX-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C#C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCO1	ZINC000822072849	587150993	/nfs/dbraw/zinc/15/09/93/587150993.db2.gz	NHFKYSMEEIWDKY-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCN(CCOC)C(=O)CN1CCCC1	ZINC000822392341	587165191	/nfs/dbraw/zinc/16/51/91/587165191.db2.gz	ZOXSGJYNXYTERL-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C	ZINC000822473168	587168273	/nfs/dbraw/zinc/16/82/73/587168273.db2.gz	TYFLKTWCXGDJMT-QWRGUYRKSA-N	0	1	208.305	0.951	20	30		BCEDMN
C#C[C@@H](NC(=O)CN1CCCC1)C(C)C	ZINC000822667317	587180391	/nfs/dbraw/zinc/18/03/91/587180391.db2.gz	VGXRRDOPQVFTIJ-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823451648	587222910	/nfs/dbraw/zinc/22/29/10/587222910.db2.gz	ZGQQVLDXGAVPQC-UWVGGRQHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)[O-])C[C@@H]1C	ZINC000823496155	587227083	/nfs/dbraw/zinc/22/70/83/587227083.db2.gz	DRQWZIPEXNTHIV-WDEREUQCSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)[O-]	ZINC000823496257	587227125	/nfs/dbraw/zinc/22/71/25/587227125.db2.gz	GXFZSOKDNWAAIO-ZJUUUORDSA-N	0	1	230.308	0.901	20	30		BCEDMN
CCN(C(=O)CN1CCCC1)[C@@H](C)C#N	ZINC000824688149	587283025	/nfs/dbraw/zinc/28/30/25/587283025.db2.gz	SYYDOEZDHJRQOS-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000824984027	587297165	/nfs/dbraw/zinc/29/71/65/587297165.db2.gz	RKPQIRJNLARERF-NSHDSACASA-N	0	1	236.275	0.794	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687192	587332268	/nfs/dbraw/zinc/33/22/68/587332268.db2.gz	DDDMBGLVPHUWLE-GZMMTYOYSA-N	0	1	244.266	0.176	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687192	587332269	/nfs/dbraw/zinc/33/22/69/587332269.db2.gz	DDDMBGLVPHUWLE-GZMMTYOYSA-N	0	1	244.266	0.176	20	30		BCEDMN
CC(C)C#CC(=O)N[C@@H]1CCCN(C)C1	ZINC000826598256	587356314	/nfs/dbraw/zinc/35/63/14/587356314.db2.gz	FBPZPRGCOPVPRT-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#C[C@H](NCc1cnccn1)C1CCOCC1	ZINC000827558856	587388094	/nfs/dbraw/zinc/38/80/94/587388094.db2.gz	AGBMVXZLJXBEEO-ZDUSSCGKSA-N	0	1	231.299	0.995	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1(n2cccn2)CC1	ZINC000827972304	587413972	/nfs/dbraw/zinc/41/39/72/587413972.db2.gz	YSBQXOIIRBUXFR-UHFFFAOYSA-N	0	1	246.314	0.053	20	30		BCEDMN
C#C[C@H](NCC[S@@](C)=O)[C@@H]1CCCO1	ZINC000828306917	587433371	/nfs/dbraw/zinc/43/33/71/587433371.db2.gz	KDAULUNMKSCSLH-PKFCDNJMSA-N	0	1	215.318	0.135	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCc2nc[nH]c2C12CCC2	ZINC000829065876	587481492	/nfs/dbraw/zinc/48/14/92/587481492.db2.gz	HSEYVPQMYFIKKF-JTQLQIEISA-N	0	1	247.298	0.721	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCc2nc[nH]c2C12CCC2	ZINC000829065878	587481593	/nfs/dbraw/zinc/48/15/93/587481593.db2.gz	HSEYVPQMYFIKKF-SNVBAGLBSA-N	0	1	247.298	0.721	20	30		BCEDMN
CON=CC(=O)N1CCc2nc[nH]c2C12CCC2	ZINC000829066014	587481702	/nfs/dbraw/zinc/48/17/02/587481702.db2.gz	KXCUISWNXNQFDX-UHFFFAOYSA-N	0	1	248.286	0.806	20	30		BCEDMN
CCC[C@H](NC(=O)C#CC(C)C)c1nn[nH]n1	ZINC000829800103	587517371	/nfs/dbraw/zinc/51/73/71/587517371.db2.gz	CCOOAXRVXWBWOG-VIFPVBQESA-N	0	1	235.291	0.817	20	30		BCEDMN
CCC[C@@H](NC(=O)C#CC(C)C)c1nn[nH]n1	ZINC000829800100	587517375	/nfs/dbraw/zinc/51/73/75/587517375.db2.gz	CCOOAXRVXWBWOG-SECBINFHSA-N	0	1	235.291	0.817	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2CCOC2)CC1	ZINC000830162608	587539874	/nfs/dbraw/zinc/53/98/74/587539874.db2.gz	MFHCIXUQSHKJOF-LLVKDONJSA-N	0	1	236.315	0.237	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@@H]2CCNC2=O)c1	ZINC000831271291	587594735	/nfs/dbraw/zinc/59/47/35/587594735.db2.gz	DOOVGWLVWKVZQB-MRVPVSSYSA-N	0	1	245.238	0.338	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@H](O)C2CC2)c1	ZINC000831271685	587594855	/nfs/dbraw/zinc/59/48/55/587594855.db2.gz	JYRFNZIYEVNNPH-LLVKDONJSA-N	0	1	232.239	0.973	20	30		BCEDMN
Cc1nccnc1C(=O)N=C1C[C@@H](C)ON1	ZINC000831398584	587603684	/nfs/dbraw/zinc/60/36/84/587603684.db2.gz	DMOTWQSGLOWTQH-ZCFIWIBFSA-N	0	1	220.232	0.637	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCCN1CC=C(C)CC1	ZINC000832208050	587649960	/nfs/dbraw/zinc/64/99/60/587649960.db2.gz	XZTWWCOFFCSNNO-LLVKDONJSA-N	0	1	224.304	0.302	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000832425684	587659498	/nfs/dbraw/zinc/65/94/98/587659498.db2.gz	PVTXNUZGWBWWCP-SFYZADRCSA-N	0	1	218.260	0.363	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000832425714	587659642	/nfs/dbraw/zinc/65/96/42/587659642.db2.gz	QMEQBBNYJIMJMR-IUCAKERBSA-N	0	1	217.272	0.653	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833362366	587708477	/nfs/dbraw/zinc/70/84/77/587708477.db2.gz	OFHACFRXUHTIAE-ZJUUUORDSA-N	0	1	211.261	0.574	20	30		BCEDMN
C#CCC[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833362416	587708330	/nfs/dbraw/zinc/70/83/30/587708330.db2.gz	QSNBOOCCCNEJEP-UWVGGRQHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833362416	587708331	/nfs/dbraw/zinc/70/83/31/587708331.db2.gz	QSNBOOCCCNEJEP-UWVGGRQHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833362136	587708410	/nfs/dbraw/zinc/70/84/10/587708410.db2.gz	APQBUOGSMHRSPP-UWVGGRQHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833364330	587709047	/nfs/dbraw/zinc/70/90/47/587709047.db2.gz	JYBWWQGJXCGVDH-JTQLQIEISA-N	0	1	210.277	0.100	20	30		BCEDMN
C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[O-])CC1	ZINC000833368711	587709517	/nfs/dbraw/zinc/70/95/17/587709517.db2.gz	QPDGRBNNAVDYRE-VIFPVBQESA-N	0	1	214.265	0.219	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833374399	587710703	/nfs/dbraw/zinc/71/07/03/587710703.db2.gz	ZKWMWFOJJOAWHD-UWVGGRQHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CC[N@H+](CCC(=O)[O-])CC(OC)OC	ZINC000833374509	587710918	/nfs/dbraw/zinc/71/09/18/587710918.db2.gz	NKMRGZCFJCMSIB-UHFFFAOYSA-N	0	1	217.265	0.568	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833377135	587711301	/nfs/dbraw/zinc/71/13/01/587711301.db2.gz	NJTPTKLHUADWOE-RKDXNWHRSA-N	0	1	227.260	0.511	20	30		BCEDMN
C[N@@H+](CCO)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833693893	587728633	/nfs/dbraw/zinc/72/86/33/587728633.db2.gz	YLJAFBHSTCHBFV-NSHDSACASA-N	0	1	234.255	0.608	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833787390	587731752	/nfs/dbraw/zinc/73/17/52/587731752.db2.gz	NCNFYIGZBSSMFC-DCAQKATOSA-N	0	1	222.288	0.988	20	30		BCEDMN
C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CCC#N	ZINC000833834715	587735285	/nfs/dbraw/zinc/73/52/85/587735285.db2.gz	QIJALLOUAQPTJJ-BDAKNGLRSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC#N	ZINC000833834715	587735286	/nfs/dbraw/zinc/73/52/86/587735286.db2.gz	QIJALLOUAQPTJJ-BDAKNGLRSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C(F)(F)F	ZINC000834479576	587755732	/nfs/dbraw/zinc/75/57/32/587755732.db2.gz	GGCMCORXDUXTSZ-FSDSQADBSA-N	0	1	235.209	0.413	20	30		BCEDMN
Cc1cscc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834479939	587756014	/nfs/dbraw/zinc/75/60/14/587756014.db2.gz	JQGVKUYNERMKRH-SCZZXKLOSA-N	0	1	235.312	0.898	20	30		BCEDMN
C=CCOCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834480237	587756083	/nfs/dbraw/zinc/75/60/83/587756083.db2.gz	NBSXFIACXIFOHP-WDEREUQCSA-N	0	1	237.303	0.197	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(F)c1	ZINC000834479218	587756101	/nfs/dbraw/zinc/75/61/01/587756101.db2.gz	BFAVLCOLWGCAEZ-CABZTGNLSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC12CCCC2	ZINC000834479956	587756135	/nfs/dbraw/zinc/75/61/35/587756135.db2.gz	JWFXRZDJUYGJSH-OUAUKWLOSA-N	0	1	233.315	0.794	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC12CCCC2	ZINC000834479957	587756187	/nfs/dbraw/zinc/75/61/87/587756187.db2.gz	JWFXRZDJUYGJSH-VWYCJHECSA-N	0	1	233.315	0.794	20	30		BCEDMN
CCCc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)[nH]n1	ZINC000834479528	587756207	/nfs/dbraw/zinc/75/62/07/587756207.db2.gz	FKSOEMWNMXRVDI-LDYMZIIASA-N	0	1	247.302	0.204	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C[C@@H]1CCCCO1	ZINC000834479557	587756210	/nfs/dbraw/zinc/75/62/10/587756210.db2.gz	FWERCQSDWISOHE-OUAUKWLOSA-N	0	1	237.303	0.173	20	30		BCEDMN
Cc1nc(C)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1	ZINC000834479250	587756230	/nfs/dbraw/zinc/75/62/30/587756230.db2.gz	BOBRMHUDUFEIHH-DTWKUNHWSA-N	0	1	234.259	0.133	20	30		BCEDMN
Cc1nc(C)c(C(=O)N[C@H]2CNC[C@H]2C#N)o1	ZINC000834479249	587756232	/nfs/dbraw/zinc/75/62/32/587756232.db2.gz	BOBRMHUDUFEIHH-BDAKNGLRSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C[C@H]1CCCCO1	ZINC000834479556	587756272	/nfs/dbraw/zinc/75/62/72/587756272.db2.gz	FWERCQSDWISOHE-MXWKQRLJSA-N	0	1	237.303	0.173	20	30		BCEDMN
C=CCC(CC=C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834479360	587756284	/nfs/dbraw/zinc/75/62/84/587756284.db2.gz	DJFMJCWMPKVWAO-VXGBXAGGSA-N	0	1	233.315	0.983	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C(C1CC1)C1CC1	ZINC000834480796	587756380	/nfs/dbraw/zinc/75/63/80/587756380.db2.gz	WFTGLVQWPLASPM-QWRGUYRKSA-N	0	1	233.315	0.650	20	30		BCEDMN
Cc1cc(F)cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834480457	587756412	/nfs/dbraw/zinc/75/64/12/587756412.db2.gz	QGPRUJSSWCCXEI-CMPLNLGQSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C(C1CC1)C1CC1	ZINC000834480797	587756463	/nfs/dbraw/zinc/75/64/63/587756463.db2.gz	WFTGLVQWPLASPM-WDEREUQCSA-N	0	1	233.315	0.650	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@H]2C#N)cn1	ZINC000834490328	587756971	/nfs/dbraw/zinc/75/69/71/587756971.db2.gz	UEYZCRNKVOYQIY-NEPJUHHUSA-N	0	1	244.298	0.160	20	30		BCEDMN
CC(C)c1ocnc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834489182	587757248	/nfs/dbraw/zinc/75/72/48/587757248.db2.gz	KHGCUHKMATYWTH-RKDXNWHRSA-N	0	1	248.286	0.639	20	30		BCEDMN
CC(C)c1ocnc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834489180	587757272	/nfs/dbraw/zinc/75/72/72/587757272.db2.gz	KHGCUHKMATYWTH-DTWKUNHWSA-N	0	1	248.286	0.639	20	30		BCEDMN
C[C@H](CC(=O)N[C@H]1CNC[C@H]1C#N)C1CC1	ZINC000834495426	587757294	/nfs/dbraw/zinc/75/72/94/587757294.db2.gz	VMHHAAKSQSRSMT-IEBDPFPHSA-N	0	1	221.304	0.650	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccccn1	ZINC000834494957	587757383	/nfs/dbraw/zinc/75/73/83/587757383.db2.gz	RKGIAHHRCGJVAM-CMPLNLGQSA-N	0	1	244.298	0.242	20	30		BCEDMN
Cc1ccc(F)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834495819	587757409	/nfs/dbraw/zinc/75/74/09/587757409.db2.gz	ZWOKMYNGHUGWDX-SKDRFNHKSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1c[nH]nc1C1CC1	ZINC000834499140	587757433	/nfs/dbraw/zinc/75/74/33/587757433.db2.gz	FDGVKEBPXOQYQB-WPRPVWTQSA-N	0	1	245.286	0.128	20	30		BCEDMN
C[C@H](CC(=O)N[C@@H]1CNC[C@H]1C#N)C1CC1	ZINC000834495425	587757571	/nfs/dbraw/zinc/75/75/71/587757571.db2.gz	VMHHAAKSQSRSMT-FBIMIBRVSA-N	0	1	221.304	0.650	20	30		BCEDMN
CC[C@H](C)[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834501136	587757682	/nfs/dbraw/zinc/75/76/82/587757682.db2.gz	ZMUSCMUNXOJWKX-NAKRPEOUSA-N	0	1	223.320	0.896	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1	ZINC000834505731	587757776	/nfs/dbraw/zinc/75/77/76/587757776.db2.gz	NHFYMKFFYKOLNU-GXSJLCMTSA-N	0	1	233.246	0.667	20	30		BCEDMN
CC(C)OCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834500659	587757835	/nfs/dbraw/zinc/75/78/35/587757835.db2.gz	VRJXDXXQYYCTNX-MNOVXSKESA-N	0	1	239.319	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)cn1	ZINC000834499832	587757840	/nfs/dbraw/zinc/75/78/40/587757840.db2.gz	NGXFOOLLHXKLNB-XVKPBYJWSA-N	0	1	234.234	0.062	20	30		BCEDMN
CCc1noc(C)c1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834500592	587757900	/nfs/dbraw/zinc/75/79/00/587757900.db2.gz	UZCARSWIKVGPLE-PSASIEDQSA-N	0	1	248.286	0.387	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)COc1ccccc1	ZINC000834505371	587757906	/nfs/dbraw/zinc/75/79/06/587757906.db2.gz	KDSXSAZJSSUTHB-CMPLNLGQSA-N	0	1	245.282	0.293	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1	ZINC000834505733	587757960	/nfs/dbraw/zinc/75/79/60/587757960.db2.gz	NHFYMKFFYKOLNU-MWLCHTKSSA-N	0	1	233.246	0.667	20	30		BCEDMN
CCO[C@H](CC)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834500161	587758008	/nfs/dbraw/zinc/75/80/08/587758008.db2.gz	QOFFOHVFGQQFIN-IVZWLZJFSA-N	0	1	225.292	0.029	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)cn1	ZINC000834499829	587758034	/nfs/dbraw/zinc/75/80/34/587758034.db2.gz	NGXFOOLLHXKLNB-GMSGAONNSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccccc1	ZINC000834506278	587758055	/nfs/dbraw/zinc/75/80/55/587758055.db2.gz	RMIDSDUKFMEQNP-QWRGUYRKSA-N	0	1	215.256	0.528	20	30		BCEDMN
Cc1ccc(O)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834506209	587758247	/nfs/dbraw/zinc/75/82/47/587758247.db2.gz	QSICHWGBIWHEQE-KOLCDFICSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1cccnc1	ZINC000834511484	587758252	/nfs/dbraw/zinc/75/82/52/587758252.db2.gz	LMJNDBIALSXDEF-VXGBXAGGSA-N	0	1	244.298	0.242	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CC2(CCC2)C1	ZINC000834506227	587758268	/nfs/dbraw/zinc/75/82/68/587758268.db2.gz	QXAOTMRHRITZGY-WDEREUQCSA-N	0	1	233.315	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CC2(CCC2)C1	ZINC000834506226	587758319	/nfs/dbraw/zinc/75/83/19/587758319.db2.gz	QXAOTMRHRITZGY-QWRGUYRKSA-N	0	1	233.315	0.794	20	30		BCEDMN
Cc1ccc(F)cc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834517112	587758589	/nfs/dbraw/zinc/75/85/89/587758589.db2.gz	QJJXWDOBIUYJHQ-CABZTGNLSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1	ZINC000834515782	587758619	/nfs/dbraw/zinc/75/86/19/587758619.db2.gz	BQTADDMMMCWOIF-KCJUWKMLSA-N	0	1	245.286	0.128	20	30		BCEDMN
Cc1ccccc1CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834512498	587758705	/nfs/dbraw/zinc/75/87/05/587758705.db2.gz	XYWZKEWHAGKEDB-CHWSQXEVSA-N	0	1	243.310	0.765	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)NC1CC=CC1	ZINC000836361164	587831482	/nfs/dbraw/zinc/83/14/82/587831482.db2.gz	GHHXLFPYSHFYBH-UHFFFAOYSA-N	0	1	235.331	0.959	20	30		BCEDMN
CC[C@@H]1CN(CC)CCN1C(=O)C=NOC	ZINC000836950489	587843565	/nfs/dbraw/zinc/84/35/65/587843565.db2.gz	ZLOZWIPKUZTCFJ-SNVBAGLBSA-N	0	1	227.308	0.561	20	30		BCEDMN
C=CCO[N-]C(=O)C[N@H+](C)[C@H]1CCSC1	ZINC000837045903	587850028	/nfs/dbraw/zinc/85/00/28/587850028.db2.gz	CNVKRVXTBPRNSM-VIFPVBQESA-N	0	1	230.333	0.658	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(C)cc1O	ZINC000841658956	587968601	/nfs/dbraw/zinc/96/86/01/587968601.db2.gz	KBYZYUVHOVCHGT-UHFFFAOYSA-N	0	1	232.287	0.973	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(O)c(C)c1	ZINC000841658424	587968802	/nfs/dbraw/zinc/96/88/02/587968802.db2.gz	ADNGDTLROBJSJG-UHFFFAOYSA-N	0	1	232.287	0.973	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cc(F)ccc1O	ZINC000841661013	587970308	/nfs/dbraw/zinc/97/03/08/587970308.db2.gz	IQKQQVZILCHYFV-UHFFFAOYSA-N	0	1	236.250	0.804	20	30		BCEDMN
C#CCCCNC(=O)N1CCNC(C)(C)C1	ZINC000841884774	587980736	/nfs/dbraw/zinc/98/07/36/587980736.db2.gz	FTIIPAIDPCTLIT-UHFFFAOYSA-N	0	1	223.320	0.793	20	30		BCEDMN
C=CCONC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000841913588	587984694	/nfs/dbraw/zinc/98/46/94/587984694.db2.gz	QUEFAXFPHKRCRN-AOOOYVTPSA-N	0	1	225.292	0.640	20	30		BCEDMN
N#CCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000842314541	588016496	/nfs/dbraw/zinc/01/64/96/588016496.db2.gz	XYMOUKGHGARQDG-HTQZYQBOSA-N	0	1	224.216	0.889	20	30		BCEDMN
C#CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842317275	588016616	/nfs/dbraw/zinc/01/66/16/588016616.db2.gz	RRMXTWYNOCZMRE-OPRDCNLKSA-N	0	1	223.228	0.997	20	30		BCEDMN
Cn1ncnc1C=NNCCN1CCCCC1	ZINC000842524059	588033052	/nfs/dbraw/zinc/03/30/52/588033052.db2.gz	ITIYLORVBVSQBQ-UHFFFAOYSA-N	0	1	236.323	0.225	20	30		BCEDMN
CC(C)Cn1nccc1C=NNC1=NCCN1	ZINC000842535388	588035713	/nfs/dbraw/zinc/03/57/13/588035713.db2.gz	GCFJYHXHKGZFLN-UHFFFAOYSA-N	0	1	234.307	0.422	20	30		BCEDMN
C[C@H](O)CN(C)Cc1cnc2c(C#N)cnn2c1	ZINC000843402925	588106533	/nfs/dbraw/zinc/10/65/33/588106533.db2.gz	RBEMDBUUIWNYLX-VIFPVBQESA-N	0	1	245.286	0.414	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/C1CCOCC1	ZINC000843459972	588112201	/nfs/dbraw/zinc/11/22/01/588112201.db2.gz	JXCLDYMCPRBARF-NUYITTKVSA-N	0	1	249.314	0.197	20	30		BCEDMN
COCC1(CC(=O)N[C@H]2CNC[C@@H]2C#N)CC1	ZINC000843460309	588112244	/nfs/dbraw/zinc/11/22/44/588112244.db2.gz	NORIRDLEZBMREO-UWVGGRQHSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1cccs1	ZINC000843463370	588112882	/nfs/dbraw/zinc/11/28/82/588112882.db2.gz	WGQCBGZODBPIPH-PSASIEDQSA-N	0	1	235.312	0.518	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)on1	ZINC000843463245	588113214	/nfs/dbraw/zinc/11/32/14/588113214.db2.gz	VYZFMVNUKAPOHG-WCBMZHEXSA-N	0	1	246.270	0.393	20	30		BCEDMN
CS[C@H](C)CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000844194808	588172723	/nfs/dbraw/zinc/17/27/23/588172723.db2.gz	MHKOYDIUSLWYJO-VGMNWLOBSA-N	0	1	227.333	0.356	20	30		BCEDMN
CC[C@H](SC)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000844194838	588172807	/nfs/dbraw/zinc/17/28/07/588172807.db2.gz	NMEOFHHTARWYHE-HLTSFMKQSA-N	0	1	227.333	0.356	20	30		BCEDMN
CC[C@H](SC)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000844194840	588173091	/nfs/dbraw/zinc/17/30/91/588173091.db2.gz	NMEOFHHTARWYHE-YIZRAAEISA-N	0	1	227.333	0.356	20	30		BCEDMN
C=C(C)CONC(=O)N[C@@H]1CCCN(C)C1	ZINC000845592349	588234418	/nfs/dbraw/zinc/23/44/18/588234418.db2.gz	BIEGUQZRYJYLLH-SNVBAGLBSA-N	0	1	227.308	0.888	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000845616508	588236479	/nfs/dbraw/zinc/23/64/79/588236479.db2.gz	KMLFCXABGXXDBN-RNFRBKRXSA-N	0	1	239.279	0.979	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NCCN1CCC1	ZINC000845628136	588238019	/nfs/dbraw/zinc/23/80/19/588238019.db2.gz	LSXJYBZZWNOKLO-SECBINFHSA-N	0	1	213.281	0.497	20	30		BCEDMN
CCO[N-]C(=O)C[NH2+]Cc1nc(C#N)cs1	ZINC000846083924	588255865	/nfs/dbraw/zinc/25/58/65/588255865.db2.gz	BFRRXIWCSZUIMO-UHFFFAOYSA-N	0	1	240.288	0.172	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000846531651	588270322	/nfs/dbraw/zinc/27/03/22/588270322.db2.gz	DAKOUZXKZGRZRE-NXEZZACHSA-N	0	1	212.293	0.951	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000846531651	588270323	/nfs/dbraw/zinc/27/03/23/588270323.db2.gz	DAKOUZXKZGRZRE-NXEZZACHSA-N	0	1	212.293	0.951	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1cncn1C	ZINC000846551274	588275611	/nfs/dbraw/zinc/27/56/11/588275611.db2.gz	ZBHZJTWWTANAKU-QMMMGPOBSA-N	0	1	209.249	0.585	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCc1cnc[nH]1	ZINC000846554464	588276562	/nfs/dbraw/zinc/27/65/62/588276562.db2.gz	JCCDWRRDFHEJEI-QMMMGPOBSA-N	0	1	209.249	0.965	20	30		BCEDMN
C=CCCn1cc(CN[C@H](CO)C2CC2)nn1	ZINC000846854865	588293356	/nfs/dbraw/zinc/29/33/56/588293356.db2.gz	NIHMVDLGSDUDMJ-GFCCVEGCSA-N	0	1	236.319	0.715	20	30		BCEDMN
CN1CCN(CC(=O)NCCC#N)CC1(C)C	ZINC000846893829	588295864	/nfs/dbraw/zinc/29/58/64/588295864.db2.gz	ZYKCQFLSYKGCOR-UHFFFAOYSA-N	0	1	238.335	0.042	20	30		BCEDMN
C=C(CO)C(=O)N1CCC[N@H+](C)C[C@H]1CC	ZINC000846990106	588300654	/nfs/dbraw/zinc/30/06/54/588300654.db2.gz	WRLKEVDKEAXXDO-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N(C)OC)C1	ZINC000847021086	588302634	/nfs/dbraw/zinc/30/26/34/588302634.db2.gz	IUUFDCHNLUDBHZ-JTQLQIEISA-N	0	1	210.277	0.351	20	30		BCEDMN
C#C[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC)C1	ZINC000847025050	588303643	/nfs/dbraw/zinc/30/36/43/588303643.db2.gz	BDEUFQDMBPYQPY-ZJUUUORDSA-N	0	1	237.303	0.176	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1CCCc2n[nH]nc21)C(C)C	ZINC000847113135	588306565	/nfs/dbraw/zinc/30/65/65/588306565.db2.gz	CWJHHFRLPTVONR-UWVGGRQHSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CCSCCNC(=O)CN1CC[C@@H](C)C1	ZINC000847516109	588315212	/nfs/dbraw/zinc/31/52/12/588315212.db2.gz	HQPQCVARSJEARG-LLVKDONJSA-N	0	1	240.372	0.811	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000847760296	588329329	/nfs/dbraw/zinc/32/93/29/588329329.db2.gz	HXPBQENKACKLMA-RKDXNWHRSA-N	0	1	205.261	0.726	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C)C(C)(C)C1	ZINC000848033015	588348753	/nfs/dbraw/zinc/34/87/53/588348753.db2.gz	IWAMSCNURIKTHY-UHFFFAOYSA-N	0	1	212.293	0.088	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000848246277	588367414	/nfs/dbraw/zinc/36/74/14/588367414.db2.gz	YDFGRCBGJYXGGG-UWVGGRQHSA-N	0	1	212.293	0.951	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000848276178	588369564	/nfs/dbraw/zinc/36/95/64/588369564.db2.gz	YRQAAQYBNWZMAA-IVZWLZJFSA-N	0	1	222.244	0.523	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cncnc1C	ZINC000848408705	588379203	/nfs/dbraw/zinc/37/92/03/588379203.db2.gz	WSKHCGYYXJKTJK-SSDOTTSWSA-N	0	1	232.291	0.446	20	30		BCEDMN
C#C[C@@H]1CCCN(CN2CCCC2=O)C1	ZINC000848492338	588387322	/nfs/dbraw/zinc/38/73/22/588387322.db2.gz	ATUNNFIYLBRLGM-LLVKDONJSA-N	0	1	206.289	0.912	20	30		BCEDMN
CCc1cc(CNc2ccnc(C#N)n2)n[nH]1	ZINC000848664959	588404055	/nfs/dbraw/zinc/40/40/55/588404055.db2.gz	GTGQKWQEKHFEJR-UHFFFAOYSA-N	0	1	228.259	0.668	20	30		BCEDMN
C=C(C)CNC(=[NH2+])NCc1ncccc1[O-]	ZINC000849023985	588439683	/nfs/dbraw/zinc/43/96/83/588439683.db2.gz	CCBVTUJPKXCMMK-UHFFFAOYSA-N	0	1	220.276	0.977	20	30		BCEDMN
C=C[C@@H](O)C(=O)O[C@H](C)c1n[nH]c(CC)n1	ZINC000849782714	588498140	/nfs/dbraw/zinc/49/81/40/588498140.db2.gz	DSTDAALXESXBSP-RNFRBKRXSA-N	0	1	225.248	0.518	20	30		BCEDMN
Cc1nc(COC(=O)[C@H](C)CC#N)n[nH]1	ZINC000849853488	588505388	/nfs/dbraw/zinc/50/53/88/588505388.db2.gz	YCXWLYDPQYUDNA-ZCFIWIBFSA-N	0	1	208.221	0.706	20	30		BCEDMN
CCn1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)n1	ZINC000850757612	588565140	/nfs/dbraw/zinc/56/51/40/588565140.db2.gz	NCUBMWBQTDEMTC-IUCAKERBSA-N	0	1	248.290	0.136	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](OC)C1CCC1	ZINC000850765281	588565669	/nfs/dbraw/zinc/56/56/69/588565669.db2.gz	YPUOMKHWCLJTST-WCBMZHEXSA-N	0	1	224.260	0.256	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CCC1(C)C	ZINC000850764174	588565801	/nfs/dbraw/zinc/56/58/01/588565801.db2.gz	NUHLZZWBGGCFAU-SFYZADRCSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H](OC)[C@H]1CCOC1	ZINC000851784816	588628225	/nfs/dbraw/zinc/62/82/25/588628225.db2.gz	LKKOZKGGZKSAIO-UONOGXRCSA-N	0	1	235.327	0.996	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H]1CNC(=O)C1	ZINC000851785317	588628541	/nfs/dbraw/zinc/62/85/41/588628541.db2.gz	PMJRHPBAPHDWPF-NSHDSACASA-N	0	1	204.273	0.081	20	30		BCEDMN
C#CCOCCN1CC[C@@](O)(C(F)(F)F)C1	ZINC000851803163	588631014	/nfs/dbraw/zinc/63/10/14/588631014.db2.gz	DUEGZVYVBTYBDF-VIFPVBQESA-N	0	1	237.221	0.635	20	30		BCEDMN
C#CCCN1CCN(Cc2cnn(CC)n2)CC1	ZINC000851872367	588637834	/nfs/dbraw/zinc/63/78/34/588637834.db2.gz	DDQTUFOYZWEODN-UHFFFAOYSA-N	0	1	247.346	0.439	20	30		BCEDMN
C#CCOCCN1CCOC[C@@H]1C1CC1	ZINC000851878667	588638819	/nfs/dbraw/zinc/63/88/19/588638819.db2.gz	FHFOELZOBSGNOI-GFCCVEGCSA-N	0	1	209.289	0.747	20	30		BCEDMN
C#CCOCCN(C)Cc1cnc(N(C)C)nc1	ZINC000851911935	588643024	/nfs/dbraw/zinc/64/30/24/588643024.db2.gz	HTMPHFMISYVHQJ-UHFFFAOYSA-N	0	1	248.330	0.624	20	30		BCEDMN
C#CCOCCN1CCO[C@]2(CCOC2)C1	ZINC000851943045	588646491	/nfs/dbraw/zinc/64/64/91/588646491.db2.gz	QEGGPNFGNNCTIN-GFCCVEGCSA-N	0	1	225.288	0.128	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851989959	588652561	/nfs/dbraw/zinc/65/25/61/588652561.db2.gz	MILLVKYVISPJDD-RISCZKNCSA-N	0	1	246.310	0.313	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851989954	588652628	/nfs/dbraw/zinc/65/26/28/588652628.db2.gz	MILLVKYVISPJDD-BXUZGUMPSA-N	0	1	246.310	0.313	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)N(C)CC1CN(C)C1	ZINC000852274528	588675407	/nfs/dbraw/zinc/67/54/07/588675407.db2.gz	COJRZAUUALTLID-LBPRGKRZSA-N	0	1	237.347	0.991	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CCC2=C(CCC(=O)N2)C1	ZINC000852298287	588677250	/nfs/dbraw/zinc/67/72/50/588677250.db2.gz	XWHXFEBTEDCWST-LBPRGKRZSA-N	0	1	236.315	0.793	20	30		BCEDMN
N#CC[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1	ZINC000852319470	588677937	/nfs/dbraw/zinc/67/79/37/588677937.db2.gz	NJJUQRDUGYQIBV-ZJUUUORDSA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CC[C@H]1CCCN([C@H]2CCC(=O)NC2=O)C1	ZINC000852319470	588677938	/nfs/dbraw/zinc/67/79/38/588677938.db2.gz	NJJUQRDUGYQIBV-ZJUUUORDSA-N	0	1	235.287	0.417	20	30		BCEDMN
C=C[C@H](CO)[NH2+]CCC[N-]C(=O)C(F)(F)F	ZINC000852714172	588697812	/nfs/dbraw/zinc/69/78/12/588697812.db2.gz	BUCFWJWHCUDIDP-SSDOTTSWSA-N	0	1	240.225	0.192	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CC1=CCSC1	ZINC000852747316	588698099	/nfs/dbraw/zinc/69/80/99/588698099.db2.gz	DSRANAXDUCAWKF-SNVBAGLBSA-N	0	1	238.356	0.729	20	30		BCEDMN
C#CCCN(CCOC)CC[S@](C)=O	ZINC000852750519	588699885	/nfs/dbraw/zinc/69/98/85/588699885.db2.gz	XMNROTVBYVNKMT-AWEZNQCLSA-N	0	1	217.334	0.337	20	30		BCEDMN
C#CCCN(CCOC)Cc1n[nH]c(CC)n1	ZINC000852750709	588699970	/nfs/dbraw/zinc/69/99/70/588699970.db2.gz	CPZKYTJZADDXLG-UHFFFAOYSA-N	0	1	236.319	0.839	20	30		BCEDMN
C/C(=C\C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccco1	ZINC000852827150	588706281	/nfs/dbraw/zinc/70/62/81/588706281.db2.gz	CEJBOEYEZTZSKI-UJQHZETGSA-N	0	1	245.282	0.911	20	30		BCEDMN
CC(C)n1nccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852875811	588709994	/nfs/dbraw/zinc/70/99/94/588709994.db2.gz	QJAGGSWTEOMFCZ-NXEZZACHSA-N	0	1	247.302	0.305	20	30		BCEDMN
CC(C)(C(=O)NOCCO)c1ccc(C#N)cc1	ZINC000860938861	589135500	/nfs/dbraw/zinc/13/55/00/589135500.db2.gz	GESHWTXHKBRXKE-UHFFFAOYSA-N	0	1	248.282	0.876	20	30		BCEDMN
C=CCCOCC(=O)OCCN1CCC1	ZINC000861386666	589162521	/nfs/dbraw/zinc/16/25/21/589162521.db2.gz	JWGUHLJRNGUAJG-UHFFFAOYSA-N	0	1	213.277	0.828	20	30		BCEDMN
C=CCN(C(=O)NC[C@@H]1COCCN1)C(C)C	ZINC000861682521	589174497	/nfs/dbraw/zinc/17/44/97/589174497.db2.gz	RNALFRAKMJSFGM-LLVKDONJSA-N	0	1	241.335	0.581	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cn2cccnc2n1	ZINC000862550158	589220944	/nfs/dbraw/zinc/22/09/44/589220944.db2.gz	JCCWEUPFEZYYEA-NSHDSACASA-N	0	1	244.298	0.857	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)c2cnc[nH]2)C1	ZINC000862566449	589223241	/nfs/dbraw/zinc/22/32/41/589223241.db2.gz	NRTTYLGEOHKNHL-VIFPVBQESA-N	0	1	203.245	0.895	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000862567468	589223342	/nfs/dbraw/zinc/22/33/42/589223342.db2.gz	GETRVEQXOOBKOO-SNVBAGLBSA-N	0	1	217.272	0.824	20	30		BCEDMN
C#CC(=O)N1CCC(C)(N2CCOCC2)CC1	ZINC000862959825	589249062	/nfs/dbraw/zinc/24/90/62/589249062.db2.gz	CNVYCRHHJVPXJS-UHFFFAOYSA-N	0	1	236.315	0.333	20	30		BCEDMN
COC[C@H](C)NN=C1CN2C[C@@H]1CCC2	ZINC000863105608	589256646	/nfs/dbraw/zinc/25/66/46/589256646.db2.gz	VWWNAUPJESKQJJ-UWVGGRQHSA-N	0	1	211.309	0.693	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)ccn1	ZINC000863105673	589256786	/nfs/dbraw/zinc/25/67/86/589256786.db2.gz	XHQWIWKEOIJKHW-VIFPVBQESA-N	0	1	217.276	0.661	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)ccn1	ZINC000863120822	589260252	/nfs/dbraw/zinc/26/02/52/589260252.db2.gz	SYNUPTKHAXLRCO-UHFFFAOYSA-N	0	1	203.249	0.273	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)CN1CC[C@H](C)C1	ZINC000863804433	589320093	/nfs/dbraw/zinc/32/00/93/589320093.db2.gz	FSABDBNBCBCKGO-RYUDHWBXSA-N	0	1	238.331	0.483	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)n1ncc(C#N)c1N	ZINC000863861136	589323928	/nfs/dbraw/zinc/32/39/28/589323928.db2.gz	SYPKETPNMHIWHJ-ZETCQYMHSA-N	0	1	244.258	0.579	20	30		BCEDMN
C=CCONC(=O)[C@@H](C)c1cncnc1	ZINC000863924871	589326813	/nfs/dbraw/zinc/32/68/13/589326813.db2.gz	PDKCDWCDTIZQKT-QMMMGPOBSA-N	0	1	207.233	0.814	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864832896	589396951	/nfs/dbraw/zinc/39/69/51/589396951.db2.gz	TWEYIOJLZHKZBF-JTQLQIEISA-N	0	1	223.276	0.868	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864975387	589401784	/nfs/dbraw/zinc/40/17/84/589401784.db2.gz	PMPSXJSHGZBTOW-VIFPVBQESA-N	0	1	222.248	0.205	20	30		BCEDMN
N#Cc1cc(C(=O)N2CC(N3CCCC3)C2)c[nH]1	ZINC000866106683	589476585	/nfs/dbraw/zinc/47/65/85/589476585.db2.gz	DMDFFBTZCZRSRT-UHFFFAOYSA-N	0	1	244.298	0.807	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)N2CC(N3CCCC3)C2)c1	ZINC000866107474	589476612	/nfs/dbraw/zinc/47/66/12/589476612.db2.gz	UCUXCMSZCOUBLB-UHFFFAOYSA-N	0	1	244.298	0.807	20	30		BCEDMN
C=CCCN(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000867683908	589531097	/nfs/dbraw/zinc/53/10/97/589531097.db2.gz	FGZDYCCQHYNQNV-SECBINFHSA-N	0	1	209.249	0.478	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@H](C)N1	ZINC000867967053	589541787	/nfs/dbraw/zinc/54/17/87/589541787.db2.gz	YRFHCDYERWAHCN-DTORHVGOSA-N	0	1	233.271	0.974	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1c[nH]nn1)C(C)C	ZINC000868021515	589544589	/nfs/dbraw/zinc/54/45/89/589544589.db2.gz	CDFCOHWWZHTYDE-JTQLQIEISA-N	0	1	220.276	0.511	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnn[nH]1)C(C)C	ZINC000868021515	589544591	/nfs/dbraw/zinc/54/45/91/589544591.db2.gz	CDFCOHWWZHTYDE-JTQLQIEISA-N	0	1	220.276	0.511	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1nnc[nH]1)C(C)C	ZINC000868021491	589544759	/nfs/dbraw/zinc/54/47/59/589544759.db2.gz	AYIFDSCTDACZLJ-QMMMGPOBSA-N	0	1	206.249	0.121	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1c[nH]nn1)C(C)(C)C	ZINC000868370656	589556463	/nfs/dbraw/zinc/55/64/63/589556463.db2.gz	LMPYBCPLXYFSOK-SNVBAGLBSA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnn[nH]1)C(C)(C)C	ZINC000868370656	589556464	/nfs/dbraw/zinc/55/64/64/589556464.db2.gz	LMPYBCPLXYFSOK-SNVBAGLBSA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869187518	589592496	/nfs/dbraw/zinc/59/24/96/589592496.db2.gz	TXOQZDDYXXAWAL-GXSJLCMTSA-N	0	1	233.271	0.315	20	30		BCEDMN
C[C@H](C#N)N(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000869254756	589594504	/nfs/dbraw/zinc/59/45/04/589594504.db2.gz	VUSFEKKYRGQULE-GMSGAONNSA-N	0	1	234.259	0.346	20	30		BCEDMN
CCN(C(=O)[C@H](O)c1c[nH]cn1)[C@H](C)C#N	ZINC000869285581	589596410	/nfs/dbraw/zinc/59/64/10/589596410.db2.gz	QWVXMKDWDKTXFH-VXNVDRBHSA-N	0	1	222.248	0.204	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869294169	589596721	/nfs/dbraw/zinc/59/67/21/589596721.db2.gz	IKCZSMKDSSPOKG-ONGXEEELSA-N	0	1	234.259	0.205	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869395172	589603555	/nfs/dbraw/zinc/60/35/55/589603555.db2.gz	ZZZUFICRSCBDEY-SECBINFHSA-N	0	1	233.275	0.004	20	30		BCEDMN
CNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2	ZINC000870152243	589646041	/nfs/dbraw/zinc/64/60/41/589646041.db2.gz	IQOGTEGCCOKYLQ-SECBINFHSA-N	0	1	246.270	0.288	20	30		BCEDMN
C=C(C)CONC(=O)N=c1nc(C)[nH]n1CC	ZINC000888543060	589698040	/nfs/dbraw/zinc/69/80/40/589698040.db2.gz	JMMSBGBPCURHHS-UHFFFAOYSA-N	0	1	239.279	0.658	20	30		BCEDMN
C=CCN1CC[C@@H](N[C@@H](C)c2ccnn2C)C1=O	ZINC000871925501	589832794	/nfs/dbraw/zinc/83/27/94/589832794.db2.gz	CDAITTANKLRCPY-WDEREUQCSA-N	0	1	248.330	0.858	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccnn1C	ZINC000871926971	589833072	/nfs/dbraw/zinc/83/30/72/589833072.db2.gz	LXAAXBDOROKFIP-NXEZZACHSA-N	0	1	234.303	0.209	20	30		BCEDMN
CC(C)(O)C[C@H](O)CNCC1(C#N)CCC1	ZINC000872209942	589893943	/nfs/dbraw/zinc/89/39/43/589893943.db2.gz	BSGCZHPVQIOPES-JTQLQIEISA-N	0	1	226.320	0.792	20	30		BCEDMN
C#CCOCCN1CCN(C)c2ncccc2C1	ZINC000872318841	589911570	/nfs/dbraw/zinc/91/15/70/589911570.db2.gz	ALIATMLBSLQBMG-UHFFFAOYSA-N	0	1	245.326	0.983	20	30		BCEDMN
Cc1ccnc(N)c1C=NN1CCOCC1	ZINC000872328207	589913693	/nfs/dbraw/zinc/91/36/93/589913693.db2.gz	PUVXUIDLEXESSS-UHFFFAOYSA-N	0	1	220.276	0.638	20	30		BCEDMN
C[C@@H]1C(N=NC2=N[C@@H]3CCCC[C@H]3N2)CCN1C	ZINC000872359770	589918412	/nfs/dbraw/zinc/91/84/12/589918412.db2.gz	ORSTZSFWUNPRIT-YUSALJHKSA-N	0	1	249.362	0.926	20	30		BCEDMN
Cc1ccnc(N)c1C=NNC1=NC[C@@H](C)N1	ZINC000872364200	589920883	/nfs/dbraw/zinc/92/08/83/589920883.db2.gz	FLMGREKDCDSVMG-MRVPVSSYSA-N	0	1	232.291	0.243	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2c[nH]c3ncncc23)N1	ZINC000872364799	589920893	/nfs/dbraw/zinc/92/08/93/589920893.db2.gz	UKCZGMVFNPDMQE-SSDOTTSWSA-N	0	1	243.274	0.181	20	30		BCEDMN
COc1ccc2c(c1)CCC2=NNC1=NCCN1	ZINC000872385809	589929177	/nfs/dbraw/zinc/92/91/77/589929177.db2.gz	QMQDAMMNTUFCSD-UHFFFAOYSA-N	0	1	244.298	0.894	20	30		BCEDMN
C=CCCN(C)CN1CC2(COC2)CC1=O	ZINC000872599292	589954831	/nfs/dbraw/zinc/95/48/31/589954831.db2.gz	LPDKPSLDWKTRTG-UHFFFAOYSA-N	0	1	224.304	0.701	20	30		BCEDMN
C#CC1CCN(CN2CC3(COC3)CC2=O)CC1	ZINC000872621116	589956986	/nfs/dbraw/zinc/95/69/86/589956986.db2.gz	QQBHXPSTHYOOHG-UHFFFAOYSA-N	0	1	248.326	0.538	20	30		BCEDMN
C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000124674019	590072405	/nfs/dbraw/zinc/07/24/05/590072405.db2.gz	HFJJTJNTMPNTPD-OPRDCNLKSA-N	0	1	220.272	0.974	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)CN1CCCC1	ZINC000874150886	590094567	/nfs/dbraw/zinc/09/45/67/590094567.db2.gz	NAMKSDYSYRWVHL-SNVBAGLBSA-N	0	1	209.293	0.700	20	30		BCEDMN
C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000874166785	590095269	/nfs/dbraw/zinc/09/52/69/590095269.db2.gz	QKEQURBGXBISPF-NXEZZACHSA-N	0	1	217.272	0.995	20	30		BCEDMN
C[C@H](C(=O)N1CCC(C#N)CC1)N(C)C	ZINC000874252143	590099655	/nfs/dbraw/zinc/09/96/55/590099655.db2.gz	DVLXJTNBQUKIBD-SECBINFHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000874859445	590149283	/nfs/dbraw/zinc/14/92/83/590149283.db2.gz	RKPMXGDXWNBVQD-GWOFURMSSA-N	0	1	236.271	0.960	20	30		BCEDMN
C[C@H]1CN(C(=O)C#CC(C)(C)C)CCN1	ZINC000876529712	590209598	/nfs/dbraw/zinc/20/95/98/590209598.db2.gz	KXHDPKYYCNUCJI-JTQLQIEISA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCN(CC#C)C[C@@]1(OC)CCOC1	ZINC000876744915	590236294	/nfs/dbraw/zinc/23/62/94/590236294.db2.gz	HCCNJBJUULYUJF-LBPRGKRZSA-N	0	1	207.273	0.360	20	30		BCEDMN
CCO[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C1CC1	ZINC000876801816	590243076	/nfs/dbraw/zinc/24/30/76/590243076.db2.gz	JHUVUOAZBSUYIX-AXFHLTTASA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccnc1F	ZINC000876801436	590243096	/nfs/dbraw/zinc/24/30/96/590243096.db2.gz	CFEBNPWTXQMGFH-VXNVDRBHSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cnn(C2CC2)c1	ZINC000876801350	590243116	/nfs/dbraw/zinc/24/31/16/590243116.db2.gz	BLOGLAGXUJKVDS-KWQFWETISA-N	0	1	245.286	0.059	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C12CC(C1)C2	ZINC000876801402	590243133	/nfs/dbraw/zinc/24/31/33/590243133.db2.gz	BVICUPAEZNHEDL-UVCIYIGYSA-N	0	1	205.261	0.014	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)[C@H](C)O1	ZINC000876802253	590243168	/nfs/dbraw/zinc/24/31/68/590243168.db2.gz	NMZUPDJAXOMVGW-NZHYYXIDSA-N	0	1	237.303	0.028	20	30		BCEDMN
CNc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876801917	590243187	/nfs/dbraw/zinc/24/31/87/590243187.db2.gz	KJSLBJONDHTXES-BXKDBHETSA-N	0	1	244.298	0.570	20	30		BCEDMN
COC1(CC(=O)N[C@H]2CNC[C@@H]2C#N)CCC1	ZINC000876802151	590243257	/nfs/dbraw/zinc/24/32/57/590243257.db2.gz	MDTBBWCMISILAR-UWVGGRQHSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cnn(C2CC2)c1	ZINC000876801349	590243423	/nfs/dbraw/zinc/24/34/23/590243423.db2.gz	BLOGLAGXUJKVDS-KCJUWKMLSA-N	0	1	245.286	0.059	20	30		BCEDMN
CCOC1CC(C(=O)N[C@H]2CNC[C@H]2C#N)C1	ZINC000876801553	590243460	/nfs/dbraw/zinc/24/34/60/590243460.db2.gz	FIWLVHFUEWOQBZ-DJRKXVOMSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCn1ncc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1C	ZINC000876801465	590243489	/nfs/dbraw/zinc/24/34/89/590243489.db2.gz	CXFWCBFHTWAVKA-GXSJLCMTSA-N	0	1	247.302	0.053	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC(F)(F)C1	ZINC000876803892	590243728	/nfs/dbraw/zinc/24/37/28/590243728.db2.gz	YUODRKMIRNEQHT-JGVFFNPUSA-N	0	1	243.257	0.650	20	30		BCEDMN
CC1=C(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCO1	ZINC000876803389	590243886	/nfs/dbraw/zinc/24/38/86/590243886.db2.gz	WEPKCWCHTUAJRT-GXSJLCMTSA-N	0	1	235.287	0.299	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@]12C[C@H]1CCCC2	ZINC000876803906	590243973	/nfs/dbraw/zinc/24/39/73/590243973.db2.gz	YYTWPEDEHAJLJM-HNCHTBHHSA-N	0	1	233.315	0.794	20	30		BCEDMN
CC(C)c1nocc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876803337	590243983	/nfs/dbraw/zinc/24/39/83/590243983.db2.gz	VVITZKVCEDUWLC-WCBMZHEXSA-N	0	1	248.286	0.639	20	30		BCEDMN
CCC[C@H](OCC)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876803914	590244012	/nfs/dbraw/zinc/24/40/12/590244012.db2.gz	ZKROLSMPQNITNH-MXWKQRLJSA-N	0	1	239.319	0.419	20	30		BCEDMN
CCCc1nc(C(=O)N[C@H]2CNC[C@@H]2C#N)co1	ZINC000876803177	590244027	/nfs/dbraw/zinc/24/40/27/590244027.db2.gz	UWGCPWJPXQYTEM-IUCAKERBSA-N	0	1	248.286	0.468	20	30		BCEDMN
CC(C)c1nocc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876803329	590244060	/nfs/dbraw/zinc/24/40/60/590244060.db2.gz	VVITZKVCEDUWLC-PSASIEDQSA-N	0	1	248.286	0.639	20	30		BCEDMN
C#CCNC(=O)[C@H](N)c1cccc(OC)c1	ZINC000876944072	590259573	/nfs/dbraw/zinc/25/95/73/590259573.db2.gz	XPFHUGUULAAZJW-LLVKDONJSA-N	0	1	218.256	0.444	20	30		BCEDMN
N#Cc1cnc(Cl)c(CNCCO)c1	ZINC000877143476	590291884	/nfs/dbraw/zinc/29/18/84/590291884.db2.gz	PPXRUAJRJTXSKX-UHFFFAOYSA-N	0	1	211.652	0.689	20	30		BCEDMN
C[N@@H+](CCn1cnnn1)Cc1ccc(C#N)cc1	ZINC000877917478	590446616	/nfs/dbraw/zinc/44/66/16/590446616.db2.gz	VISNBVZTZOYGPK-UHFFFAOYSA-N	0	1	242.286	0.677	20	30		BCEDMN
CN(CCn1cnnn1)Cc1ccc(C#N)cc1	ZINC000877917478	590446618	/nfs/dbraw/zinc/44/66/18/590446618.db2.gz	VISNBVZTZOYGPK-UHFFFAOYSA-N	0	1	242.286	0.677	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCC[C@H](CO)C1	ZINC000877934576	590451333	/nfs/dbraw/zinc/45/13/33/590451333.db2.gz	CRQPICAZKVGJQX-WDEREUQCSA-N	0	1	227.304	0.808	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(CC)CCCO	ZINC000878150930	590507160	/nfs/dbraw/zinc/50/71/60/590507160.db2.gz	KYZFDUYFPMCGLS-SNVBAGLBSA-N	0	1	215.293	0.808	20	30		BCEDMN
CC(C)[C@H](O)CCN1CCN(CCC#N)CC1	ZINC000878312325	590541244	/nfs/dbraw/zinc/54/12/44/590541244.db2.gz	JGFWOAJJXMSQEE-CYBMUJFWSA-N	0	1	239.363	0.925	20	30		BCEDMN
C=CC[C@H](C)N1CCn2c(n[nH]c2=O)C1	ZINC000878432378	590566383	/nfs/dbraw/zinc/56/63/83/590566383.db2.gz	COECFMQFWJDVHY-QMMMGPOBSA-N	0	1	208.265	0.764	20	30		BCEDMN
C#C[C@H](NCCN(C#N)CC)[C@H]1CCCO1	ZINC000878454184	590570217	/nfs/dbraw/zinc/57/02/17/590570217.db2.gz	VBVPNBSQMRJKKZ-NWDGAFQWSA-N	0	1	221.304	0.560	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000878518031	590585165	/nfs/dbraw/zinc/58/51/65/590585165.db2.gz	YYYJXSAXBRHNQD-WCFLWFBJSA-N	0	1	225.332	0.852	20	30		BCEDMN
C#CCN(C[C@@H](O)CSC)C1CSC1	ZINC000878910357	590642046	/nfs/dbraw/zinc/64/20/46/590642046.db2.gz	SDINOLNKMODNKZ-SNVBAGLBSA-N	0	1	231.386	0.761	20	30		BCEDMN
C#CCN(C[C@@H]1CCc2ncnn21)C1CSC1	ZINC000878909648	590644999	/nfs/dbraw/zinc/64/49/99/590644999.db2.gz	WPLUCWJZBIZWPQ-JTQLQIEISA-N	0	1	248.355	0.816	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(C#N)o1	ZINC000878980799	590668479	/nfs/dbraw/zinc/66/84/79/590668479.db2.gz	FMXJMPWHQUKSSW-BXKDBHETSA-N	0	1	236.271	0.469	20	30		BCEDMN
C#CCCCN1CCO[C@@H](Cn2ccnn2)C1	ZINC000878987128	590669643	/nfs/dbraw/zinc/66/96/43/590669643.db2.gz	NCFOTNODYFABCO-GFCCVEGCSA-N	0	1	234.303	0.392	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC2(COC2)C1	ZINC000878991779	590670592	/nfs/dbraw/zinc/67/05/92/590670592.db2.gz	MJODNWJOQRJQJZ-JTQLQIEISA-N	0	1	225.288	0.826	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)C[C@H]1C[C@@H](O)C1	ZINC000879056815	590688294	/nfs/dbraw/zinc/68/82/94/590688294.db2.gz	UYBJNHUQNZSRBD-AXFHLTTASA-N	0	1	227.304	0.807	20	30		BCEDMN
N#CCC1(CN2CC[C@@H](O)[C@@H](O)C2)CC1	ZINC000879609491	590828577	/nfs/dbraw/zinc/82/85/77/590828577.db2.gz	XXATYMMTBNYAII-ZJUUUORDSA-N	0	1	210.277	0.108	20	30		BCEDMN
C=CCCN1CCC[C@H]2OCCNC(=O)[C@H]21	ZINC000879720159	590854907	/nfs/dbraw/zinc/85/49/07/590854907.db2.gz	WYAMJHDZSYBYSR-MNOVXSKESA-N	0	1	224.304	0.542	20	30		BCEDMN
N#CCCNC(=O)CN[C@H]1CCCn2nccc21	ZINC000879786013	590868925	/nfs/dbraw/zinc/86/89/25/590868925.db2.gz	LTVMXKBKKCRIJX-JTQLQIEISA-N	0	1	247.302	0.337	20	30		BCEDMN
C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#CCO	ZINC000879880672	590886260	/nfs/dbraw/zinc/88/62/60/590886260.db2.gz	PSOUCNWWJFQUDM-BXKDBHETSA-N	0	1	247.298	0.188	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](CF)C1	ZINC000880290981	590985408	/nfs/dbraw/zinc/98/54/08/590985408.db2.gz	AIGFXZLRAIDSFS-SECBINFHSA-N	0	1	200.257	0.580	20	30		BCEDMN
C#CCC1(O)CCN(CC(=O)NC(C)C)CC1	ZINC000880477176	591054015	/nfs/dbraw/zinc/05/40/15/591054015.db2.gz	MNVAVDHCMCWWMM-UHFFFAOYSA-N	0	1	238.331	0.361	20	30		BCEDMN
N#Cc1ccc([C@@H](O)CN2CC=C[C@@H]2CO)cc1	ZINC000880486385	591060680	/nfs/dbraw/zinc/06/06/80/591060680.db2.gz	BGKWULCGCHLOKO-KGLIPLIRSA-N	0	1	244.294	0.824	20	30		BCEDMN
COC(=O)[C@@]1(O)CCN(CC2(CC#N)CC2)C1	ZINC000880566788	591095334	/nfs/dbraw/zinc/09/53/34/591095334.db2.gz	AWLGREQKBZUSCE-GFCCVEGCSA-N	0	1	238.287	0.290	20	30		BCEDMN
COCCOCCON=C(N)C(C)C	ZINC000128509158	591097912	/nfs/dbraw/zinc/09/79/12/591097912.db2.gz	HGHOCRJPBJDKLQ-UHFFFAOYSA-N	0	1	204.270	0.594	20	30		BCEDMN
CC(C)C[C@@H](C(N)=O)N(C)CCO[C@@H](C)C#N	ZINC000880589705	591101830	/nfs/dbraw/zinc/10/18/30/591101830.db2.gz	FDUZOTGQXCYFRH-QWRGUYRKSA-N	0	1	241.335	0.747	20	30		BCEDMN
C#CCOCCN(C)[C@@H](CC(C)C)C(N)=O	ZINC000880591253	591103544	/nfs/dbraw/zinc/10/35/44/591103544.db2.gz	DFONUXBMNZCJFR-NSHDSACASA-N	0	1	226.320	0.468	20	30		BCEDMN
C=CCCCC(=O)NCc1n[nH]c(=O)n1C	ZINC000880650459	591118528	/nfs/dbraw/zinc/11/85/28/591118528.db2.gz	UTECYIFXUYXHIP-UHFFFAOYSA-N	0	1	224.264	0.493	20	30		BCEDMN
C=CC(C)(C)CC(=O)NCc1n[nH]c(=O)n1C	ZINC000880650818	591120366	/nfs/dbraw/zinc/12/03/66/591120366.db2.gz	XIZQAJGHSLEAHR-UHFFFAOYSA-N	0	1	238.291	0.739	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000880757000	591139199	/nfs/dbraw/zinc/13/91/99/591139199.db2.gz	FEDAAFZNFHAXRN-YGOYTEALSA-N	0	1	249.314	0.739	20	30		BCEDMN
C=C[C@@](C)(O)c1cn([C@@H](C)c2nnc(C)[nH]2)nn1	ZINC000881383926	591198948	/nfs/dbraw/zinc/19/89/48/591198948.db2.gz	RIKDRJRPRUQGPE-WRWORJQWSA-N	0	1	248.290	0.707	20	30		BCEDMN
C=C[C@](C)(O)c1cn([C@H](C)c2nnc(C)[nH]2)nn1	ZINC000881383923	591199215	/nfs/dbraw/zinc/19/92/15/591199215.db2.gz	RIKDRJRPRUQGPE-HQJQHLMTSA-N	0	1	248.290	0.707	20	30		BCEDMN
C=C(Br)Cn1cc(CNC)nn1	ZINC000881428892	591204533	/nfs/dbraw/zinc/20/45/33/591204533.db2.gz	IJHIWHXQXZSFPO-UHFFFAOYSA-N	0	1	231.097	0.906	20	30		BCEDMN
C#CCCN1CCN(c2cc(CO)ccn2)CC1	ZINC000881913594	591278238	/nfs/dbraw/zinc/27/82/38/591278238.db2.gz	QJPHZEHVBMSRGT-UHFFFAOYSA-N	0	1	245.326	0.719	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC	ZINC000882486721	591362941	/nfs/dbraw/zinc/36/29/41/591362941.db2.gz	VDHZOJZEDNAYAM-OLZOCXBDSA-N	0	1	249.358	0.294	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1cc(C#N)ccn1	ZINC000882491661	591369471	/nfs/dbraw/zinc/36/94/71/591369471.db2.gz	IMFFDCXLKHIZRQ-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
Cc1ccc(NCCN2CC[C@H](O)C2)c(C#N)n1	ZINC000882672534	591408937	/nfs/dbraw/zinc/40/89/37/591408937.db2.gz	OVAYGVDVOQUOEC-NSHDSACASA-N	0	1	246.314	0.740	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000882893655	591466755	/nfs/dbraw/zinc/46/67/55/591466755.db2.gz	ZBVPLFDFTKCLJK-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CN(C)C1CCC1	ZINC000882902818	591471459	/nfs/dbraw/zinc/47/14/59/591471459.db2.gz	PKHGEWVBMQDCJZ-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#CCOCCC(=O)Nc1nnc(C)[nH]1	ZINC000130498782	591474473	/nfs/dbraw/zinc/47/44/73/591474473.db2.gz	SQQQJGCEUTWCKT-UHFFFAOYSA-N	0	1	208.221	0.092	20	30		BCEDMN
C#CC1(NCc2cnnn2C)CCCC1	ZINC000883362353	591630991	/nfs/dbraw/zinc/63/09/91/591630991.db2.gz	AQSZIOVSNWXQRV-UHFFFAOYSA-N	0	1	204.277	0.851	20	30		BCEDMN
CCc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)no1	ZINC000884249682	591883334	/nfs/dbraw/zinc/88/33/34/591883334.db2.gz	PNSJKNOBGGNRGB-XVKPBYJWSA-N	0	1	234.259	0.078	20	30		BCEDMN
Cc1coc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000884250735	591884222	/nfs/dbraw/zinc/88/42/22/591884222.db2.gz	MOCXWDOBFXACPM-IUCAKERBSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1c[nH]cc1C1CC1	ZINC000884250724	591884353	/nfs/dbraw/zinc/88/43/53/591884353.db2.gz	MGDKOJLGSPNWBN-CABZTGNLSA-N	0	1	244.298	0.733	20	30		BCEDMN
C#CC[C@@H]1CCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000884594001	591990898	/nfs/dbraw/zinc/99/08/98/591990898.db2.gz	XTIMBRBQLIFTMP-MRVPVSSYSA-N	0	1	243.270	0.908	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](O)CC1(C#N)CCC1	ZINC000886028551	592135321	/nfs/dbraw/zinc/13/53/21/592135321.db2.gz	RYOAPWWAXOGGBP-ZDUSSCGKSA-N	0	1	230.311	1.000	20	30		BCEDMN
CN(Cc1nnc[nH]1)C[C@H](O)CC1(C#N)CCC1	ZINC000886034743	592138006	/nfs/dbraw/zinc/13/80/06/592138006.db2.gz	FIWPEALENAJIRP-SNVBAGLBSA-N	0	1	249.318	0.681	20	30		BCEDMN
C=CCNC(=O)CNCc1n[nH]c(C)c1C	ZINC000886057083	592140831	/nfs/dbraw/zinc/14/08/31/592140831.db2.gz	FFYQXOMJMJMPFB-UHFFFAOYSA-N	0	1	222.292	0.418	20	30		BCEDMN
CC(C)CN(CCC#N)C(=O)CN(C)C	ZINC000218033597	592151860	/nfs/dbraw/zinc/15/18/60/592151860.db2.gz	NHJVBKLEZVDBFM-UHFFFAOYSA-N	0	1	211.309	0.946	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000218288849	592153782	/nfs/dbraw/zinc/15/37/82/592153782.db2.gz	XOVQWYBZIGVJGE-RKDXNWHRSA-N	0	1	226.276	0.084	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2nc(C)c[nH]2)C1	ZINC000886209897	592176501	/nfs/dbraw/zinc/17/65/01/592176501.db2.gz	YECGBTVIYZMQER-LBPRGKRZSA-N	0	1	232.331	0.905	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H]2C[C@@H]2C1	ZINC000886334670	592211764	/nfs/dbraw/zinc/21/17/64/592211764.db2.gz	ZRCBHBSBMNIAOG-PHIMTYICSA-N	0	1	221.304	0.700	20	30		BCEDMN
N#CC1(NC(=O)CN2C[C@@H]3C[C@@H]3C2)CCC1	ZINC000886346448	592213454	/nfs/dbraw/zinc/21/34/54/592213454.db2.gz	IQBXFQZJXLUHQB-AOOOYVTPSA-N	0	1	219.288	0.501	20	30		BCEDMN
C#CCC1(NCc2cnn(CC)n2)CCOCC1	ZINC000886378802	592221302	/nfs/dbraw/zinc/22/13/02/592221302.db2.gz	BEECHDUVBNINGV-UHFFFAOYSA-N	0	1	248.330	0.960	20	30		BCEDMN
CN(CCCF)CC(=O)NC1(C#N)CCC1	ZINC000887141480	592456522	/nfs/dbraw/zinc/45/65/22/592456522.db2.gz	WAUKICPRTFWAAC-UHFFFAOYSA-N	0	1	227.283	0.840	20	30		BCEDMN
C#C[C@H](NCCS(C)(=O)=O)C(C)C	ZINC000300797636	592520487	/nfs/dbraw/zinc/52/04/87/592520487.db2.gz	DIDMUUVENAESEE-VIFPVBQESA-N	0	1	203.307	0.278	20	30		BCEDMN
Cc1cc(C(=O)N2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000887672929	592539838	/nfs/dbraw/zinc/53/98/38/592539838.db2.gz	LDKVLDWOIYFZFG-NSHDSACASA-N	0	1	234.259	0.473	20	30		BCEDMN
CC#CCCCC(=O)NCc1n[nH]c(C)n1	ZINC000889703197	592648634	/nfs/dbraw/zinc/64/86/34/592648634.db2.gz	UEGQLXPKOOAUGA-UHFFFAOYSA-N	0	1	220.276	0.923	20	30		BCEDMN
C#CCN(CC)C(=O)NC[C@@H]1CCN1CC	ZINC000890071447	592677409	/nfs/dbraw/zinc/67/74/09/592677409.db2.gz	XMVYGZSEWHOIRH-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000035304590	599997532	/nfs/dbraw/zinc/99/75/32/599997532.db2.gz	KERHJPWCZOIVPO-UHFFFAOYSA-N	0	1	234.255	0.953	20	30		BCEDMN
C=CCCC[N@H+](C)CC(=O)NCCC(=O)[O-]	ZINC000736102776	600263033	/nfs/dbraw/zinc/26/30/33/600263033.db2.gz	YICIIVQQXXKNOW-UHFFFAOYSA-N	0	1	228.292	0.475	20	30		BCEDMN
COCC[N@@H+](CCCCC#N)CC(=O)[O-]	ZINC000049607617	600395551	/nfs/dbraw/zinc/39/55/51/600395551.db2.gz	NUBHNPJWAPDPQG-UHFFFAOYSA-N	0	1	214.265	0.713	20	30		BCEDMN
COCC[N@@H+](CCCC#N)CC(=O)[O-]	ZINC000049607379	600446160	/nfs/dbraw/zinc/44/61/60/600446160.db2.gz	DVSZQSUEODJPIY-UHFFFAOYSA-N	0	1	200.238	0.323	20	30		BCEDMN
C=CCC[N@@H+](CCN1CCOCC1)CC(=O)[O-]	ZINC000736102144	600570943	/nfs/dbraw/zinc/57/09/43/600570943.db2.gz	BYQCIRQFODMTCZ-UHFFFAOYSA-N	0	1	242.319	0.281	20	30		BCEDMN
N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](O)C2)cc1	ZINC000739105953	600571238	/nfs/dbraw/zinc/57/12/38/600571238.db2.gz	OYPIYPQACXCISD-NWDGAFQWSA-N	0	1	246.266	0.751	20	30		BCEDMN
N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](O)C2)cc1	ZINC000739105953	600571239	/nfs/dbraw/zinc/57/12/39/600571239.db2.gz	OYPIYPQACXCISD-NWDGAFQWSA-N	0	1	246.266	0.751	20	30		BCEDMN
N#CCCCC[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000085617762	601455271	/nfs/dbraw/zinc/45/52/71/601455271.db2.gz	CCEKOZNFRFSWTP-SNVBAGLBSA-N	0	1	226.276	0.856	20	30		BCEDMN
CC#CC[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738502463	603346978	/nfs/dbraw/zinc/34/69/78/603346978.db2.gz	DQPRXHMNYOXFLT-UWVGGRQHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C[N@@H+](CC(=O)[O-])Cc1cnc2ccc(C#N)cn12	ZINC000820569615	604539947	/nfs/dbraw/zinc/53/99/47/604539947.db2.gz	ZZRZQGHQUINUOO-UHFFFAOYSA-N	0	1	244.254	0.722	20	30		BCEDMN
C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000085060188	605013397	/nfs/dbraw/zinc/01/33/97/605013397.db2.gz	MEXOSIGEBFZOEH-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000085060188	605013399	/nfs/dbraw/zinc/01/33/99/605013399.db2.gz	MEXOSIGEBFZOEH-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
C[C@H](CC#N)[N@H+](C)C[C@](C)(O)C(=O)[O-]	ZINC000070714711	605497813	/nfs/dbraw/zinc/49/78/13/605497813.db2.gz	OOOPJYJLAATTQJ-APPZFPTMSA-N	0	1	200.238	0.056	20	30		BCEDMN
C[C@H](CC#N)[N@@H+](C)C[C@](C)(O)C(=O)[O-]	ZINC000070714711	605497816	/nfs/dbraw/zinc/49/78/16/605497816.db2.gz	OOOPJYJLAATTQJ-APPZFPTMSA-N	0	1	200.238	0.056	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000738496312	605922098	/nfs/dbraw/zinc/92/20/98/605922098.db2.gz	WAIFJGJJRDLHFD-IUCAKERBSA-N	0	1	241.291	0.019	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000738496312	605922101	/nfs/dbraw/zinc/92/21/01/605922101.db2.gz	WAIFJGJJRDLHFD-IUCAKERBSA-N	0	1	241.291	0.019	20	30		BCEDMN
C[C@H](O)[C@H](C)NCc1nc(C#N)cs1	ZINC000336670149	635199863	/nfs/dbraw/zinc/19/98/63/635199863.db2.gz	YKHAKWCRCVFTDT-BQBZGAKWSA-N	0	1	211.290	0.874	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)C2CC2)C1	ZINC001009847033	634604467	/nfs/dbraw/zinc/60/44/67/634604467.db2.gz	WZLLPBCONVHLGX-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)C[C@H]2CCOC2)C1	ZINC001010410386	635592813	/nfs/dbraw/zinc/59/28/13/635592813.db2.gz	VORQPKKZJQPLIJ-NEPJUHHUSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccns2)C1	ZINC000971622733	631351694	/nfs/dbraw/zinc/35/16/94/631351694.db2.gz	XXERPQXYXMOUJQ-JTQLQIEISA-N	0	1	249.339	0.923	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccsn2)C1	ZINC000971762900	631443743	/nfs/dbraw/zinc/44/37/43/631443743.db2.gz	PLAKIMTWYOEUCG-SNVBAGLBSA-N	0	1	249.339	0.923	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccsn2)C1	ZINC000971762899	631443846	/nfs/dbraw/zinc/44/38/46/631443846.db2.gz	PLAKIMTWYOEUCG-JTQLQIEISA-N	0	1	249.339	0.923	20	30		BCEDMN
Cc1nc([C@@H](C)N2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000933611392	631461431	/nfs/dbraw/zinc/46/14/31/631461431.db2.gz	YAYNWWZWESWRCC-LDYMZIIASA-N	0	1	235.291	0.789	20	30		BCEDMN
C[C@@H](O)[C@@H](O)CN(C)Cc1cc(C#N)cs1	ZINC000933770042	631507951	/nfs/dbraw/zinc/50/79/51/631507951.db2.gz	FZFSIBUEIIGXSG-KCJUWKMLSA-N	0	1	240.328	0.793	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1	ZINC000971963277	631700829	/nfs/dbraw/zinc/70/08/29/631700829.db2.gz	IEEFJUIFLLJLNG-LLVKDONJSA-N	0	1	249.289	0.933	20	30		BCEDMN
C[C@](Cn1cccn1)(NCCCC#N)C(N)=O	ZINC000934218359	631735859	/nfs/dbraw/zinc/73/58/59/631735859.db2.gz	ABNNKAUNJKOSFJ-LLVKDONJSA-N	0	1	235.291	0.020	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@@H](F)CC)C1	ZINC000972091825	631766041	/nfs/dbraw/zinc/76/60/41/631766041.db2.gz	ZPGZNGHUFXYUFK-QWRGUYRKSA-N	0	1	226.295	0.900	20	30		BCEDMN
C#CC1(O)CN(Cc2n[nH]c(C(C)(C)C)n2)C1	ZINC000934450922	631842040	/nfs/dbraw/zinc/84/20/40/631842040.db2.gz	WGZZVOOOTMMBSG-UHFFFAOYSA-N	0	1	234.303	0.282	20	30		BCEDMN
C=CC[C@H]1CCN1CCS(=O)(=O)NC	ZINC000934461129	631852221	/nfs/dbraw/zinc/85/22/21/631852221.db2.gz	VZOCLSBEXRAICR-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
C=CC[C@H]1CCN1[C@H](C)C(=O)NC(=O)NC	ZINC000934473486	631865749	/nfs/dbraw/zinc/86/57/49/631865749.db2.gz	WMDKOBNABNUFPZ-BDAKNGLRSA-N	0	1	225.292	0.481	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1	ZINC000972423927	632031061	/nfs/dbraw/zinc/03/10/61/632031061.db2.gz	KYBDGVQELNOEDB-VXGBXAGGSA-N	0	1	232.327	0.952	20	30		BCEDMN
CC#CCN1CC(N(CC)C(=O)c2ccn[nH]2)C1	ZINC000949703247	632080713	/nfs/dbraw/zinc/08/07/13/632080713.db2.gz	XFDAAJADDVUOHN-UHFFFAOYSA-N	0	1	246.314	0.579	20	30		BCEDMN
C=C(C)CCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000924906526	635760779	/nfs/dbraw/zinc/76/07/79/635760779.db2.gz	JUIFNCLLMOOMGA-JTQLQIEISA-N	0	1	248.286	0.839	20	30		BCEDMN
C#CCN1CC(N(CC)C(=O)c2cc(C)[nH]n2)C1	ZINC000949723737	632396482	/nfs/dbraw/zinc/39/64/82/632396482.db2.gz	WTHWEPZDOBJDFF-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
CCC(CC)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000309499260	632417364	/nfs/dbraw/zinc/41/73/64/632417364.db2.gz	LAVBWPCDLWFFBR-ZJUUUORDSA-N	0	1	209.293	0.650	20	30		BCEDMN
C#CCN1CCC[C@H](CNC(=O)c2cocn2)C1	ZINC001023261812	632428695	/nfs/dbraw/zinc/42/86/95/632428695.db2.gz	KWUSHWRKYSWCNO-LLVKDONJSA-N	0	1	247.298	0.750	20	30		BCEDMN
C=C(Br)CNC[C@@H](O)COCC	ZINC000168260653	632456996	/nfs/dbraw/zinc/45/69/96/632456996.db2.gz	JNVWIYZAPOXGGA-MRVPVSSYSA-N	0	1	238.125	0.882	20	30		BCEDMN
C=CCn1cc(CN[C@H]2COC[C@H]2C)nn1	ZINC000926613354	632680060	/nfs/dbraw/zinc/68/00/60/632680060.db2.gz	DYPNHDKMCCVXTG-KOLCDFICSA-N	0	1	222.292	0.589	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncn[n-]1	ZINC001024716505	632840006	/nfs/dbraw/zinc/84/00/06/632840006.db2.gz	XCLRGGNCBJZIPV-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
Cc1ccnc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000841183730	635833961	/nfs/dbraw/zinc/83/39/61/635833961.db2.gz	WUZVNJWGHOZZTC-VHSXEESVSA-N	0	1	245.286	0.623	20	30		BCEDMN
N#CCCNC(=O)CCCCc1cn[nH]n1	ZINC000427610265	635842882	/nfs/dbraw/zinc/84/28/82/635842882.db2.gz	UAFFDODPTRYZPK-UHFFFAOYSA-N	0	1	221.264	0.547	20	30		BCEDMN
CC[C@@H](N[NH+]=C(C)c1csc(N)n1)C(=O)[O-]	ZINC000309306569	632913974	/nfs/dbraw/zinc/91/39/74/632913974.db2.gz	VUZGQGROZUZAIG-ZCFIWIBFSA-N	0	1	242.304	0.902	20	30		BCEDMN
C=C(Cn1nc(SC)[nH]c1=O)C(=O)OCC	ZINC000194583718	636058610	/nfs/dbraw/zinc/05/86/10/636058610.db2.gz	RIVPHPZKJKRJJB-UHFFFAOYSA-N	0	1	243.288	0.413	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)CC(C)(C)C#N	ZINC000928557435	636098465	/nfs/dbraw/zinc/09/84/65/636098465.db2.gz	SFUGIYRJEKHXHY-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C(C)(F)F)CC1	ZINC000328530157	633771760	/nfs/dbraw/zinc/77/17/60/633771760.db2.gz	WZADMRCRWWHRAC-UHFFFAOYSA-N	0	1	231.246	0.746	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C	ZINC001026123088	633852159	/nfs/dbraw/zinc/85/21/59/633852159.db2.gz	BXQSHNRGEVVLRW-OBPIAQAESA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C	ZINC001026128811	633853583	/nfs/dbraw/zinc/85/35/83/633853583.db2.gz	XFHOMNVSGJYRPI-BJJPWKGXSA-N	0	1	246.354	0.958	20	30		BCEDMN
CNC(=O)C1(NCC#CCOC)CCCC1	ZINC000309668266	633986138	/nfs/dbraw/zinc/98/61/38/633986138.db2.gz	VAQKQUVERAZHCZ-UHFFFAOYSA-N	0	1	224.304	0.285	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(OC)cnc1F	ZINC000895490451	636151589	/nfs/dbraw/zinc/15/15/89/636151589.db2.gz	PHKNJROPUYIHEL-JTQLQIEISA-N	0	1	238.262	0.703	20	30		BCEDMN
N#CCc1cccc2c1CCN(C[C@@H](O)CO)C2	ZINC000931332368	634355307	/nfs/dbraw/zinc/35/53/07/634355307.db2.gz	DTWGHQFLLVFSPN-CYBMUJFWSA-N	0	1	246.310	0.464	20	30		BCEDMN
COc1ccc2c(c1)OCC2=NNC1=NCCN1	ZINC000841659341	635138341	/nfs/dbraw/zinc/13/83/41/635138341.db2.gz	ODRQKMNMVXIYGX-UHFFFAOYSA-N	0	1	246.270	0.341	20	30		BCEDMN
COC1(OC)CCN(CCCC#N)C[C@@H]1O	ZINC000931632726	635145831	/nfs/dbraw/zinc/14/58/31/635145831.db2.gz	XTVQAJWQUUKBOH-JTQLQIEISA-N	0	1	228.292	0.346	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cncnc1	ZINC001027838534	635168814	/nfs/dbraw/zinc/16/88/14/635168814.db2.gz	COTPTRZGFTVBRL-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2cc[nH]n2)CC1	ZINC000980746273	635268553	/nfs/dbraw/zinc/26/85/53/635268553.db2.gz	LHEQOHIZWSGPCP-UHFFFAOYSA-N	0	1	246.314	0.581	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn[n-]1	ZINC001027991424	635283065	/nfs/dbraw/zinc/28/30/65/635283065.db2.gz	CEETVKMRLPHHAM-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cncn1C	ZINC001028002909	635295389	/nfs/dbraw/zinc/29/53/89/635295389.db2.gz	BBODBNVRVUUQKL-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1	ZINC001028032725	635321016	/nfs/dbraw/zinc/32/10/16/635321016.db2.gz	ARPRCKLJEPMKHI-NSHDSACASA-N	0	1	249.289	0.981	20	30		BCEDMN
C=CCN1CCCN(C(=O)c2cncn2C)CC1	ZINC000981560722	635368807	/nfs/dbraw/zinc/36/88/07/635368807.db2.gz	HWQHXNSCQXVLBU-UHFFFAOYSA-N	0	1	248.330	0.754	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)C(F)F)C1	ZINC001006513578	635373216	/nfs/dbraw/zinc/37/32/16/635373216.db2.gz	NHDAXWJOOWMNHI-SECBINFHSA-N	0	1	230.258	0.855	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cn(C)cn1	ZINC000320703520	636355692	/nfs/dbraw/zinc/35/56/92/636355692.db2.gz	GPNRUHLWMUDUEU-JTQLQIEISA-N	0	1	209.293	0.837	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@@H](NCC#N)[C@H]2C)[nH]1	ZINC000986059796	636482518	/nfs/dbraw/zinc/48/25/18/636482518.db2.gz	YBQHEIIZAKYHOG-PSASIEDQSA-N	0	1	247.302	0.434	20	30		BCEDMN
C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cc1ccn[nH]1	ZINC000986080623	636490763	/nfs/dbraw/zinc/49/07/63/636490763.db2.gz	FUNCCSZSTXVMIT-KOLCDFICSA-N	0	1	247.302	0.055	20	30		BCEDMN
C#CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000179467715	636570416	/nfs/dbraw/zinc/57/04/16/636570416.db2.gz	KRCVWZQHCZPPOC-UHFFFAOYSA-N	0	1	222.204	0.461	20	30		BCEDMN
C#CCNCC(=O)N(CCOC)CC(C)C	ZINC000086156888	636634640	/nfs/dbraw/zinc/63/46/40/636634640.db2.gz	ZVKWTRQIEPAHCC-UHFFFAOYSA-N	0	1	226.320	0.340	20	30		BCEDMN
C[C@H]1C[C@H](NCC#N)CN1C(=O)c1ccn[nH]1	ZINC000988167553	636682154	/nfs/dbraw/zinc/68/21/54/636682154.db2.gz	SKTUYPMUBSYGGH-IUCAKERBSA-N	0	1	233.275	0.126	20	30		BCEDMN
C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1ccn[nH]1	ZINC000988167552	636682746	/nfs/dbraw/zinc/68/27/46/636682746.db2.gz	SKTUYPMUBSYGGH-DTWKUNHWSA-N	0	1	233.275	0.126	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@@H](NCC#N)C[C@H]2C)n[nH]1	ZINC000988251725	636684279	/nfs/dbraw/zinc/68/42/79/636684279.db2.gz	WNUMVDPTLMUROT-ZJUUUORDSA-N	0	1	247.302	0.434	20	30		BCEDMN
C[C@@]1(NCc2ccc(C#N)s2)CCNC1=O	ZINC000897872365	636842341	/nfs/dbraw/zinc/84/23/41/636842341.db2.gz	SVSKGWXAMROPAN-LLVKDONJSA-N	0	1	235.312	0.988	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)Cc1cnc[nH]1	ZINC000900464476	637186427	/nfs/dbraw/zinc/18/64/27/637186427.db2.gz	NNJOKNWPQPBQQC-JTQLQIEISA-N	0	1	206.249	0.761	20	30		BCEDMN
CC(=NNC12CC(C1)C2)c1c[nH]c(N)n1	ZINC000901261235	637239194	/nfs/dbraw/zinc/23/91/94/637239194.db2.gz	XUNIWTUUQWCGPJ-UHFFFAOYSA-N	0	1	205.265	0.858	20	30		BCEDMN
C#CCN1CCC[C@@H](N[C@H](C)c2cn(C)nn2)C1	ZINC000903092855	637343344	/nfs/dbraw/zinc/34/33/44/637343344.db2.gz	DSJJRENXAKRDAW-VXGBXAGGSA-N	0	1	247.346	0.563	20	30		BCEDMN
CN1CC[C@@H]1C/N=C/c1ccc(O)c(O)c1O	ZINC000905004018	637541054	/nfs/dbraw/zinc/54/10/54/637541054.db2.gz	ZCBZWOMTXOBZKO-UWZPUTRXSA-N	0	1	236.271	0.926	20	30		BCEDMN
CC1/C(=C/c2cnn(C)n2)C(=O)c2ncnn21	ZINC000905083034	637581488	/nfs/dbraw/zinc/58/14/88/637581488.db2.gz	ARYNPXUFUUGHSQ-JJCRLEFJSA-N	0	1	230.231	0.248	20	30		BCEDMN
CCn1ncc(/C=C2\C(=O)c3ncnn3C2C)n1	ZINC000905083861	637581934	/nfs/dbraw/zinc/58/19/34/637581934.db2.gz	GRJHVVSZEBOMBF-CPLNQPMESA-N	0	1	244.258	0.730	20	30		BCEDMN
CC1/C(=C\c2cn(C)cn2)C(=O)c2ncnn21	ZINC000905086709	637584712	/nfs/dbraw/zinc/58/47/12/637584712.db2.gz	TYKRPZNABZPUBV-WGJZWELTSA-N	0	1	229.243	0.853	20	30		BCEDMN
N#CCCNC[C@H](O)CC1(CO)CCCC1	ZINC000905237717	637722603	/nfs/dbraw/zinc/72/26/03/637722603.db2.gz	KKHJWUYXQOSDAK-LLVKDONJSA-N	0	1	226.320	0.793	20	30		BCEDMN
N#CCCNC[C@@H](O)CCC1(O)CCC1	ZINC000905238819	637724992	/nfs/dbraw/zinc/72/49/92/637724992.db2.gz	YDUYPQKAWUSAMM-JTQLQIEISA-N	0	1	212.293	0.546	20	30		BCEDMN
N#CCCNC[C@@H](CO)Cc1ccoc1	ZINC000905417616	637803671	/nfs/dbraw/zinc/80/36/71/637803671.db2.gz	JHQGKLHGUJHTBE-NSHDSACASA-N	0	1	208.261	0.934	20	30		BCEDMN
COC(=O)[C@@H](F)CNC[C@H](O)CC1(C#N)CC1	ZINC000905488180	637833928	/nfs/dbraw/zinc/83/39/28/637833928.db2.gz	CBGSDAXCUNKBOS-BDAKNGLRSA-N	0	1	244.266	0.142	20	30		BCEDMN
C#CCNC(=S)NC[C@H]1CCN1CC	ZINC000905547940	637851609	/nfs/dbraw/zinc/85/16/09/637851609.db2.gz	NYRDGAPOURNZNZ-SECBINFHSA-N	0	1	211.334	0.178	20	30		BCEDMN
Cc1cc(C#N)cc(C)c1Cn1nnnc1CN	ZINC000905734220	637903383	/nfs/dbraw/zinc/90/33/83/637903383.db2.gz	JIHNLMKSHNBQTO-UHFFFAOYSA-N	0	1	242.286	0.669	20	30		BCEDMN
C=CCS(=O)(=O)Cc1[nH]ncc1C	ZINC000906047132	638034466	/nfs/dbraw/zinc/03/44/66/638034466.db2.gz	FYOLKQNIBGFGSE-UHFFFAOYSA-N	0	1	200.263	0.819	20	30		BCEDMN
C#C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C)C(C)C	ZINC000907965530	638528900	/nfs/dbraw/zinc/52/89/00/638528900.db2.gz	FYXUNVRLIPBGEX-GVXVVHGQSA-N	0	1	238.331	0.216	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)Cc1cnc[nH]1	ZINC000908297835	638646697	/nfs/dbraw/zinc/64/66/97/638646697.db2.gz	AKGJGYLNVLLBCB-LLVKDONJSA-N	0	1	218.260	0.761	20	30		BCEDMN
C#CC(C)(C)NS(=O)(=O)c1ncc[nH]1	ZINC000306704981	711460567	/nfs/dbraw/zinc/46/05/67/711460567.db2.gz	FWOLNKYIXSEVOI-UHFFFAOYSA-N	0	1	213.262	0.100	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)c1[nH]nc2c1C[C@H](C)CC2	ZINC000908616756	639035868	/nfs/dbraw/zinc/03/58/68/639035868.db2.gz	GFKHVMDDZJRJQP-BDAKNGLRSA-N	0	1	247.298	0.258	20	30		BCEDMN
C=CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000909714144	639206628	/nfs/dbraw/zinc/20/66/28/639206628.db2.gz	UGNVXYQLLXUPDY-VHSXEESVSA-N	0	1	240.303	0.616	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@@H]1NCc1cncc(C#N)c1	ZINC000930323418	639704187	/nfs/dbraw/zinc/70/41/87/639704187.db2.gz	FDAOVCNQXZZLMR-JOYOIKCWSA-N	0	1	244.298	0.567	20	30		BCEDMN
CC#CCN(C)C[C@H]1CCC2(COC2)O1	ZINC000930588283	639814904	/nfs/dbraw/zinc/81/49/04/639814904.db2.gz	GLEQDUDCVAYUNT-LLVKDONJSA-N	0	1	209.289	0.890	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)C1(O)CCCC1	ZINC000930693461	639864131	/nfs/dbraw/zinc/86/41/31/639864131.db2.gz	OIRQPCWTCVPLBZ-MNOVXSKESA-N	0	1	226.320	0.934	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)C1(O)CCCC1	ZINC000930693463	639864775	/nfs/dbraw/zinc/86/47/75/639864775.db2.gz	OIRQPCWTCVPLBZ-WDEREUQCSA-N	0	1	226.320	0.934	20	30		BCEDMN
CCn1nccc1NC(=O)NCC#CCN(C)C	ZINC000930711264	639876305	/nfs/dbraw/zinc/87/63/05/639876305.db2.gz	JWZDIYIZDVDPDW-UHFFFAOYSA-N	0	1	249.318	0.590	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCO[C@H]2CCOC2)C1	ZINC000930818829	639922447	/nfs/dbraw/zinc/92/24/47/639922447.db2.gz	PFGVSMOFDLKODQ-RYUDHWBXSA-N	0	1	240.303	0.142	20	30		BCEDMN
C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1CCC#N	ZINC000930918082	639988311	/nfs/dbraw/zinc/98/83/11/639988311.db2.gz	YCMCVQYACJCFHQ-KXUCPTDWSA-N	0	1	209.293	0.874	20	30		BCEDMN
C#CCN(C(=O)[C@@H]1CCCN1C)C1CSC1	ZINC000912361647	640040008	/nfs/dbraw/zinc/04/00/08/640040008.db2.gz	KUFRZPHOVBHIKQ-NSHDSACASA-N	0	1	238.356	0.658	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)c1nn[nH]n1	ZINC000912617812	640126336	/nfs/dbraw/zinc/12/63/36/640126336.db2.gz	KFLVYIXVMDEVNT-HTQZYQBOSA-N	0	1	237.263	0.144	20	30		BCEDMN
CC1CC(C#N)(C(=O)N(C)c2nn[nH]n2)C1	ZINC000912618474	640128200	/nfs/dbraw/zinc/12/82/00/640128200.db2.gz	VODWRRDIEYTFTE-UHFFFAOYSA-N	0	1	220.236	0.102	20	30		BCEDMN
N#Cc1cc(C(=O)N2CC[C@H](N3CCC3)C2)c[nH]1	ZINC000912911234	640235934	/nfs/dbraw/zinc/23/59/34/640235934.db2.gz	DOQRFRISAVUNJZ-LBPRGKRZSA-N	0	1	244.298	0.807	20	30		BCEDMN
COCC#CCN1CCc2nccc(N)c2C1	ZINC000931514595	640241689	/nfs/dbraw/zinc/24/16/89/640241689.db2.gz	CFTVOWNTMCEKCE-UHFFFAOYSA-N	0	1	231.299	0.672	20	30		BCEDMN
N#CCSCC(=O)N1CC[C@H](N2CCC2)C1	ZINC000912922357	640246022	/nfs/dbraw/zinc/24/60/22/640246022.db2.gz	KAPUMXZXHOXLGI-JTQLQIEISA-N	0	1	239.344	0.550	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCc2nccc(N)c2C1	ZINC000931516790	640247371	/nfs/dbraw/zinc/24/73/71/640247371.db2.gz	BCADUCCYXXXEQD-LBPRGKRZSA-N	0	1	247.298	0.750	20	30		BCEDMN
C=C(C)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1	ZINC000931632169	640296425	/nfs/dbraw/zinc/29/64/25/640296425.db2.gz	UGBDQSNOPCDEIN-SNVBAGLBSA-N	0	1	215.293	0.618	20	30		BCEDMN
C=C(C)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1	ZINC000931632168	640297569	/nfs/dbraw/zinc/29/75/69/640297569.db2.gz	UGBDQSNOPCDEIN-JTQLQIEISA-N	0	1	215.293	0.618	20	30		BCEDMN
CCc1cc(C(=O)NCC#CCN(C)C)no1	ZINC000913525045	640379991	/nfs/dbraw/zinc/37/99/91/640379991.db2.gz	ICQFBLDQSVWXLP-UHFFFAOYSA-N	0	1	235.287	0.532	20	30		BCEDMN
C[C@@H]1C[C@@H](C(=O)NCC#CCN(C)C)[C@@H](C)O1	ZINC000913525118	640380188	/nfs/dbraw/zinc/38/01/88/640380188.db2.gz	KRMJOIYVWRLJOP-IJLUTSLNSA-N	0	1	238.331	0.481	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)on1	ZINC000913516021	640380643	/nfs/dbraw/zinc/38/06/43/640380643.db2.gz	XHUMAUQLXIJLNP-UHFFFAOYSA-N	0	1	221.260	0.278	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCc1ccco1	ZINC000913516024	640380745	/nfs/dbraw/zinc/38/07/45/640380745.db2.gz	XJMSSFPNMWFIEQ-UHFFFAOYSA-N	0	1	234.299	0.893	20	30		BCEDMN
C[C@H]1OCC[C@H]1C(=O)NCC#CCN(C)C	ZINC000913520113	640381766	/nfs/dbraw/zinc/38/17/66/640381766.db2.gz	CZLDMFYQKWKRBH-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
C[C@H]1OCC[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913520114	640382154	/nfs/dbraw/zinc/38/21/54/640382154.db2.gz	CZLDMFYQKWKRBH-MNOVXSKESA-N	0	1	224.304	0.093	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccn(C)c1	ZINC000913519906	640382359	/nfs/dbraw/zinc/38/23/59/640382359.db2.gz	UGBMFNXZYNAUOS-UHFFFAOYSA-N	0	1	219.288	0.320	20	30		BCEDMN
COCC1(C(=O)NCC#CCN(C)C)CC1	ZINC000913520188	640382474	/nfs/dbraw/zinc/38/24/74/640382474.db2.gz	HSKALWQGXHFKRM-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1CCC=CO1	ZINC000913520742	640382740	/nfs/dbraw/zinc/38/27/40/640382740.db2.gz	WRTYPZJLTBITEZ-NSHDSACASA-N	0	1	222.288	0.360	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1ccoc1	ZINC000913521304	640383639	/nfs/dbraw/zinc/38/36/39/640383639.db2.gz	SVFYWOOFTHFAER-UHFFFAOYSA-N	0	1	220.272	0.503	20	30		BCEDMN
C#CCOCCN1CC[C@H](c2noc(C)n2)C1	ZINC000931935035	640393124	/nfs/dbraw/zinc/39/31/24/640393124.db2.gz	CKWHXPGPKALOLL-NSHDSACASA-N	0	1	235.287	0.817	20	30		BCEDMN
C=C[C@@H](CC)CC(=O)NCc1nn[nH]n1	ZINC000932533640	640574228	/nfs/dbraw/zinc/57/42/28/640574228.db2.gz	UACKTESZIRASJV-ZETCQYMHSA-N	0	1	209.253	0.418	20	30		BCEDMN
C#CCN1CCC([C@@H]2COC(=O)N2)CC1	ZINC000932785450	640609645	/nfs/dbraw/zinc/60/96/45/640609645.db2.gz	VBFUMPOGFJDFTI-JTQLQIEISA-N	0	1	208.261	0.440	20	30		BCEDMN
C#CCCN1CC(NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001030210551	640686371	/nfs/dbraw/zinc/68/63/71/640686371.db2.gz	QWMJSDVCNZKZSV-UHFFFAOYSA-N	0	1	246.314	0.084	20	30		BCEDMN
N#CCCN1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933761370	640765403	/nfs/dbraw/zinc/76/54/03/640765403.db2.gz	YRVFPRDWQZCUJA-ONGXEEELSA-N	0	1	207.277	0.487	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(CC)CCC(=O)NC	ZINC000933861480	640772059	/nfs/dbraw/zinc/77/20/59/640772059.db2.gz	SOTHYIFXAPPBOR-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCO[C@@H]2COCC[C@@H]21	ZINC000933970375	640799180	/nfs/dbraw/zinc/79/91/80/640799180.db2.gz	IKXARRHXENUTET-FRRDWIJNSA-N	0	1	241.331	0.803	20	30		BCEDMN
CC#CC(=O)NCCCc1cn[nH]c1C	ZINC000227880755	640852350	/nfs/dbraw/zinc/85/23/50/640852350.db2.gz	CEDXNOLHQGRVPP-UHFFFAOYSA-N	0	1	205.261	0.790	20	30		BCEDMN
C#C[C@H](CC)N[C@@H]1CCCS(=O)(=O)C1	ZINC000229532078	640963745	/nfs/dbraw/zinc/96/37/45/640963745.db2.gz	JEDBBFIKVOEYBP-NXEZZACHSA-N	0	1	215.318	0.565	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cncs1	ZINC000934200593	641099390	/nfs/dbraw/zinc/09/93/90/641099390.db2.gz	MHYWZLJQEXRFCZ-DTWKUNHWSA-N	0	1	237.328	0.932	20	30		BCEDMN
C=CC[C@H]1CCN1[C@H](C)C(=O)NC(=O)NCC	ZINC000934472704	641164160	/nfs/dbraw/zinc/16/41/60/641164160.db2.gz	QAJLZODXMZMIOP-ZJUUUORDSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@H](C)C(=O)NC(=O)NCC	ZINC000934472701	641164850	/nfs/dbraw/zinc/16/48/50/641164850.db2.gz	QAJLZODXMZMIOP-NXEZZACHSA-N	0	1	239.319	0.871	20	30		BCEDMN
C#CCNC(=O)CN[C@H](c1ccncc1)C1CC1	ZINC000934681835	641244031	/nfs/dbraw/zinc/24/40/31/641244031.db2.gz	BQXKYKIRPLMYOT-AWEZNQCLSA-N	0	1	243.310	0.872	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccnnc2C)C1	ZINC001015122132	641403353	/nfs/dbraw/zinc/40/33/53/641403353.db2.gz	YCRAJRYWNIFTSM-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC(NC(=O)c2[nH]ncc2F)C1	ZINC001030910993	641417612	/nfs/dbraw/zinc/41/76/12/641417612.db2.gz	QXDIRFMKQHODQU-UHFFFAOYSA-N	0	1	224.239	0.149	20	30		BCEDMN
C=C(C)CN1CC(NC(=O)c2[nH]ncc2F)C1	ZINC001030911420	641417765	/nfs/dbraw/zinc/41/77/65/641417765.db2.gz	ZJHIKMRETOEBCF-UHFFFAOYSA-N	0	1	238.266	0.539	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)NC12CCN(CC1)C2	ZINC000913630539	641434010	/nfs/dbraw/zinc/43/40/10/641434010.db2.gz	CFNWVFIHVQHFRS-UHFFFAOYSA-N	0	1	244.298	0.475	20	30		BCEDMN
N#CC1(C(=O)Nc2c[nH]nn2)CC2(CC2)C1	ZINC000935595098	641437685	/nfs/dbraw/zinc/43/76/85/641437685.db2.gz	UCQZGGQDRRBLLK-UHFFFAOYSA-N	0	1	217.232	0.827	20	30		BCEDMN
CN1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)C1	ZINC000913959060	641531496	/nfs/dbraw/zinc/53/14/96/641531496.db2.gz	ZWSAFBHZFVXTTL-VIFPVBQESA-N	0	1	245.348	0.160	20	30		BCEDMN
C=C(C)CN1CC(NC(=O)Cc2cnc[nH]2)C1	ZINC001031015496	641596994	/nfs/dbraw/zinc/59/69/94/641596994.db2.gz	FJLKEQNKICKYFH-UHFFFAOYSA-N	0	1	234.303	0.329	20	30		BCEDMN
C=CCCS(=O)(=O)N1C[C@@H](C)NC[C@H]1C	ZINC000156255782	641603202	/nfs/dbraw/zinc/60/32/02/641603202.db2.gz	XMIPBGFULOSBRK-NXEZZACHSA-N	0	1	232.349	0.575	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCN1C	ZINC000925415218	641733184	/nfs/dbraw/zinc/73/31/84/641733184.db2.gz	DRWMINNPDKOXTG-ZJUUUORDSA-N	0	1	209.293	0.354	20	30		BCEDMN
C#CCC1(NC(=O)[C@H](C)N(C)C)CCOCC1	ZINC000925415797	641736102	/nfs/dbraw/zinc/73/61/02/641736102.db2.gz	GTFUCYGTDUYLSK-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
CCOCCN(CC)CC(=O)NCCC#N	ZINC000730809037	641750892	/nfs/dbraw/zinc/75/08/92/641750892.db2.gz	WQRNGICSFOQZBZ-UHFFFAOYSA-N	0	1	227.308	0.375	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnon2)C[C@H]1C	ZINC000947833179	641758968	/nfs/dbraw/zinc/75/89/68/641758968.db2.gz	RIOFMIPCJKKZEG-ZJUUUORDSA-N	0	1	248.286	0.286	20	30		BCEDMN
C=CCSCCNC(=O)NC[C@H]1CCN1C	ZINC000915204270	641810179	/nfs/dbraw/zinc/81/01/79/641810179.db2.gz	APPIOEXXNAHXIP-SNVBAGLBSA-N	0	1	243.376	0.909	20	30		BCEDMN
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC(C)C	ZINC000193488050	641819490	/nfs/dbraw/zinc/81/94/90/641819490.db2.gz	JYTRMQMHHUOPBA-IVZWLZJFSA-N	0	1	238.287	0.645	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COCC1CC1	ZINC000193487622	641820339	/nfs/dbraw/zinc/82/03/39/641820339.db2.gz	BHVDARBOJUHUIX-JTQLQIEISA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCN1CC(NC(=O)C(C)(C)c2cnc[nH]2)C1	ZINC001031259686	641867228	/nfs/dbraw/zinc/86/72/28/641867228.db2.gz	AGSWKRFYVHLRRM-UHFFFAOYSA-N	0	1	246.314	0.121	20	30		BCEDMN
C=C(C)CN1CCC[C@H](NC(=O)C(N)=O)[C@H]1C	ZINC000993728282	641879784	/nfs/dbraw/zinc/87/97/84/641879784.db2.gz	HYCQPHKIRIOORK-ZJUUUORDSA-N	0	1	239.319	0.017	20	30		BCEDMN
C(=NNc1cnccn1)c1csnn1	ZINC000915959401	641887726	/nfs/dbraw/zinc/88/77/26/641887726.db2.gz	QBCCTFXJXRGFNE-UHFFFAOYSA-N	0	1	206.234	0.774	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)NC[C@@H]2CCN2C)C1	ZINC000925431733	641983921	/nfs/dbraw/zinc/98/39/21/641983921.db2.gz	JRLXTQFHLVBVCD-RYUDHWBXSA-N	0	1	235.331	0.745	20	30		BCEDMN
C=CCN1C(=O)N=NC1SCCOC(C)=O	ZINC000917216636	642030737	/nfs/dbraw/zinc/03/07/37/642030737.db2.gz	AOCWBXGBYQREJC-UHFFFAOYSA-N	0	1	243.288	0.825	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ccco2)C1	ZINC001031517410	642251856	/nfs/dbraw/zinc/25/18/56/642251856.db2.gz	KKHBAQJDWDTUDW-UHFFFAOYSA-N	0	1	232.283	0.965	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cnccn2)C1	ZINC001031523683	642266129	/nfs/dbraw/zinc/26/61/29/642266129.db2.gz	LUVIVHNHYMEJSR-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnn(C)c2C)C1	ZINC001031550141	642293980	/nfs/dbraw/zinc/29/39/80/642293980.db2.gz	MOFFSTSYELIUPS-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)OC)C1	ZINC000971187572	642319401	/nfs/dbraw/zinc/31/94/01/642319401.db2.gz	PAYHXZOINCNEHW-NWDGAFQWSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ncoc2C)C1	ZINC001031571112	642323139	/nfs/dbraw/zinc/32/31/39/642323139.db2.gz	GNOAZFLNUURAGK-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C=C(Cl)CN1CC[C@@](C)(C(N)=O)C1	ZINC000306293547	642324212	/nfs/dbraw/zinc/32/42/12/642324212.db2.gz	UUSIZADBCFOLSP-SECBINFHSA-N	0	1	202.685	0.936	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2n[nH]c(C)c2C)C1	ZINC001031584108	642336466	/nfs/dbraw/zinc/33/64/66/642336466.db2.gz	RDIUQRAEQCLJCE-UHFFFAOYSA-N	0	1	248.330	0.874	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1	ZINC000971337245	642362398	/nfs/dbraw/zinc/36/23/98/642362398.db2.gz	KLVQHPCPQSFHGC-CYBMUJFWSA-N	0	1	245.326	0.805	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cn(C)cn2)C1	ZINC001031614611	642380511	/nfs/dbraw/zinc/38/05/11/642380511.db2.gz	ORGQHVIAGSGAGR-UHFFFAOYSA-N	0	1	234.303	0.268	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cc2ccoc2)C1	ZINC000971387965	642395158	/nfs/dbraw/zinc/39/51/58/642395158.db2.gz	BSZLCMYFCDNXEO-ZDUSSCGKSA-N	0	1	246.310	0.988	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nccc(C)n2)C1	ZINC001031641743	642430276	/nfs/dbraw/zinc/43/02/76/642430276.db2.gz	NKIZRSIQVQCCBX-UHFFFAOYSA-N	0	1	246.314	0.633	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2n[nH]cc2C)C1	ZINC001031659652	642486986	/nfs/dbraw/zinc/48/69/86/642486986.db2.gz	MGCHQGIZIZHUOL-UHFFFAOYSA-N	0	1	234.303	0.566	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C	ZINC000925334121	642571646	/nfs/dbraw/zinc/57/16/46/642571646.db2.gz	JCWWQEZRAZAKMK-DCAQKATOSA-N	0	1	223.320	0.742	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1	ZINC000960007893	642656924	/nfs/dbraw/zinc/65/69/24/642656924.db2.gz	AGDSWIBEQRBHBR-GDNZZTSVSA-N	0	1	229.283	0.308	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2	ZINC000961887645	642709939	/nfs/dbraw/zinc/70/99/39/642709939.db2.gz	MCTHOTYMYYDDLH-XQHKEYJVSA-N	0	1	244.338	0.856	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2cn[nH]c2)C1	ZINC001006821541	642824219	/nfs/dbraw/zinc/82/42/19/642824219.db2.gz	OESZYTOQOBYBLI-GFCCVEGCSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCCN1CCC[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001006821542	642824854	/nfs/dbraw/zinc/82/48/54/642824854.db2.gz	OESZYTOQOBYBLI-LBPRGKRZSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2cnco2)C1	ZINC001008104092	642829368	/nfs/dbraw/zinc/82/93/68/642829368.db2.gz	SIKYKHOCZGZZFH-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cc2cnoc2)C1	ZINC001008280950	642831778	/nfs/dbraw/zinc/83/17/78/642831778.db2.gz	FYGWCSDTFCYNQR-GFCCVEGCSA-N	0	1	249.314	0.984	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001008681738	642833747	/nfs/dbraw/zinc/83/37/47/642833747.db2.gz	SGLNUFVIPSGFHM-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001008681741	642834199	/nfs/dbraw/zinc/83/41/99/642834199.db2.gz	SGLNUFVIPSGFHM-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C2CCOCC2)C1	ZINC001009882755	642844634	/nfs/dbraw/zinc/84/46/34/642844634.db2.gz	LPYVANIPBKXLFX-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC001010040398	642848083	/nfs/dbraw/zinc/84/80/83/642848083.db2.gz	YHNNNQWGUWSOPV-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCO2)C1	ZINC001010040400	642848302	/nfs/dbraw/zinc/84/83/02/642848302.db2.gz	YHNNNQWGUWSOPV-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1	ZINC001010248518	642853873	/nfs/dbraw/zinc/85/38/73/642853873.db2.gz	JWWLENIEJFBTBW-NSHDSACASA-N	0	1	248.330	0.962	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ccon2)C1	ZINC001010329312	642856519	/nfs/dbraw/zinc/85/65/19/642856519.db2.gz	ANEIREBJFFNOMF-SNVBAGLBSA-N	0	1	233.271	0.502	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2cn[nH]c2)C1	ZINC001010303083	642857987	/nfs/dbraw/zinc/85/79/87/642857987.db2.gz	OIWUEWMNGISOQT-LLVKDONJSA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1	ZINC001010349404	642860298	/nfs/dbraw/zinc/86/02/98/642860298.db2.gz	KKYMMKHINDCACT-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cocn2)C1	ZINC001010373657	642861769	/nfs/dbraw/zinc/86/17/69/642861769.db2.gz	OCZJSPQAYYHZIH-SNVBAGLBSA-N	0	1	233.271	0.502	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccnn2CC)C1	ZINC001010750263	642872136	/nfs/dbraw/zinc/87/21/36/642872136.db2.gz	WYBHCSPSTDMIJB-LLVKDONJSA-N	0	1	248.330	0.893	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)C2=CCOCC2)C1	ZINC001010727769	642873544	/nfs/dbraw/zinc/87/35/44/642873544.db2.gz	RAVAIUQAUCKTGB-GFCCVEGCSA-N	0	1	236.315	0.710	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2ncn(C)n2)C1	ZINC001010878483	642875710	/nfs/dbraw/zinc/87/57/10/642875710.db2.gz	UKUNOKUCFDTJSP-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2n[nH]cc2C)C1	ZINC001014371190	642887652	/nfs/dbraw/zinc/88/76/52/642887652.db2.gz	SIIUOHXBFUPEEJ-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2ccnnc2)C1	ZINC001015748286	642929636	/nfs/dbraw/zinc/92/96/36/642929636.db2.gz	MYCMJZXWGCTROR-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2cnon2)C1	ZINC001015876708	642934659	/nfs/dbraw/zinc/93/46/59/642934659.db2.gz	NQEVELAWUFSUCD-VIFPVBQESA-N	0	1	236.275	0.450	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1	ZINC001015906936	642939783	/nfs/dbraw/zinc/93/97/83/642939783.db2.gz	FRHNLEWKAVGYEL-AAEUAGOBSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2[nH]cnc2CC)C1	ZINC001016133553	642948173	/nfs/dbraw/zinc/94/81/73/642948173.db2.gz	OYXNQXRCIUXKLO-JTQLQIEISA-N	0	1	248.330	0.962	20	30		BCEDMN
CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1	ZINC001016396539	642954134	/nfs/dbraw/zinc/95/41/34/642954134.db2.gz	DNNYVEBIOLOGCE-GFCCVEGCSA-N	0	1	246.314	0.097	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)Cn2ccnc2)C1	ZINC001016396539	642954141	/nfs/dbraw/zinc/95/41/41/642954141.db2.gz	DNNYVEBIOLOGCE-GFCCVEGCSA-N	0	1	246.314	0.097	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1	ZINC001016258235	642955938	/nfs/dbraw/zinc/95/59/38/642955938.db2.gz	DOPBGRFWMUWFRY-LBPRGKRZSA-N	0	1	248.330	0.568	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2csnn2)C1	ZINC001031881460	642969947	/nfs/dbraw/zinc/96/99/47/642969947.db2.gz	KVSSKEJLBJQISH-UHFFFAOYSA-N	0	1	238.316	0.386	20	30		BCEDMN
C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1	ZINC001017372977	642972031	/nfs/dbraw/zinc/97/20/31/642972031.db2.gz	KULBZXVCYMYFDX-PHIMTYICSA-N	0	1	244.298	0.332	20	30		BCEDMN
C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)OC)C1	ZINC001018577850	642999098	/nfs/dbraw/zinc/99/90/98/642999098.db2.gz	CLXDTJNETXUSLM-UWVGGRQHSA-N	0	1	246.738	0.964	20	30		BCEDMN
CO[C@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000120271566	643143065	/nfs/dbraw/zinc/14/30/65/643143065.db2.gz	SDQBVAOTWHMWOI-SFYZADRCSA-N	0	1	212.249	0.255	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cocn2)[C@@H](C)C1	ZINC000941884542	643148209	/nfs/dbraw/zinc/14/82/09/643148209.db2.gz	HHPWMWIRWHWPRU-QWRGUYRKSA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cn[nH]c2)C1	ZINC000969342151	643148813	/nfs/dbraw/zinc/14/88/13/643148813.db2.gz	ABOQQEQTJFYENR-VIFPVBQESA-N	0	1	234.303	0.646	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cn(C)cn2)C1	ZINC000969496317	643179585	/nfs/dbraw/zinc/17/95/85/643179585.db2.gz	DHMBOJOICSVJHZ-JTQLQIEISA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cnco2)[C@@H](C)C1	ZINC000942540621	643196183	/nfs/dbraw/zinc/19/61/83/643196183.db2.gz	NDHBNWJDCVDYEO-WDEREUQCSA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1	ZINC000969594277	643196665	/nfs/dbraw/zinc/19/66/65/643196665.db2.gz	JYMDYCQCHUOAKA-SECBINFHSA-N	0	1	249.318	0.051	20	30		BCEDMN
CC#CCN1CC([C@H](C)NC(=O)c2ncc[nH]2)C1	ZINC000969630724	643199737	/nfs/dbraw/zinc/19/97/37/643199737.db2.gz	FVKOQZUGKFCIAY-JTQLQIEISA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ncc[nH]2)C1	ZINC000969637379	643203065	/nfs/dbraw/zinc/20/30/65/643203065.db2.gz	ICDPQLGGERTHKI-VIFPVBQESA-N	0	1	234.303	0.646	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1	ZINC000969637378	643204150	/nfs/dbraw/zinc/20/41/50/643204150.db2.gz	ICDPQLGGERTHKI-SECBINFHSA-N	0	1	234.303	0.646	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ncccn2)C1	ZINC001032065646	643226618	/nfs/dbraw/zinc/22/66/18/643226618.db2.gz	IWUHUTGRBKFUIS-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cccnn2)C1	ZINC001032065615	643227013	/nfs/dbraw/zinc/22/70/13/643227013.db2.gz	DSDWLXHZCWGTSC-UHFFFAOYSA-N	0	1	246.314	0.714	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cn(CC)nn2)C1	ZINC001032080232	643238394	/nfs/dbraw/zinc/23/83/94/643238394.db2.gz	MOGVARSIHUIREH-UHFFFAOYSA-N	0	1	249.318	0.146	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2nocc2C)C1	ZINC001032108732	643262508	/nfs/dbraw/zinc/26/25/08/643262508.db2.gz	ZPMFVLZVHGIGNK-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CN1CCC(C)CC1	ZINC000185297464	643286081	/nfs/dbraw/zinc/28/60/81/643286081.db2.gz	OHDKPICDNXYUNK-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
CO[C@@H](C)CC(=O)C(C#N)C(=O)NC(C)C	ZINC000195492396	643355656	/nfs/dbraw/zinc/35/56/56/643355656.db2.gz	RDMPAPIIBULPDJ-IUCAKERBSA-N	0	1	226.276	0.645	20	30		BCEDMN
Cc1ccc(C#N)cc1C(=O)N1CCNCC1	ZINC000082652800	643362741	/nfs/dbraw/zinc/36/27/41/643362741.db2.gz	MSESBPAFUQIGCU-UHFFFAOYSA-N	0	1	229.283	0.912	20	30		BCEDMN
N#CCCNC(=O)CN1CCCC[C@@H]1CCO	ZINC000049801509	643443602	/nfs/dbraw/zinc/44/36/02/643443602.db2.gz	IDASWGABGLOXEU-LLVKDONJSA-N	0	1	239.319	0.253	20	30		BCEDMN
C#CCCS(=O)(=O)NCC1=CCN(C)CC1	ZINC000289136268	643460015	/nfs/dbraw/zinc/46/00/15/643460015.db2.gz	JRJCKJASQIOEBW-UHFFFAOYSA-N	0	1	242.344	0.191	20	30		BCEDMN
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OC	ZINC001032302614	643472935	/nfs/dbraw/zinc/47/29/35/643472935.db2.gz	DCWKVKXIYHIQSB-SRVKXCTJSA-N	0	1	238.331	0.883	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOC1	ZINC001032307404	643484387	/nfs/dbraw/zinc/48/43/87/643484387.db2.gz	MHTXZXVRYCWXPK-AVGNSLFASA-N	0	1	248.326	0.331	20	30		BCEDMN
C#CCNCC(=O)NCCc1cccs1	ZINC000082239376	643508251	/nfs/dbraw/zinc/50/82/51/643508251.db2.gz	FCQIOOJZAWWJGV-UHFFFAOYSA-N	0	1	222.313	0.630	20	30		BCEDMN
C#CCNCC(=O)NC(C1CC1)C1CC1	ZINC000082551645	643512211	/nfs/dbraw/zinc/51/22/11/643512211.db2.gz	WPJKKRSZAZNDTE-UHFFFAOYSA-N	0	1	206.289	0.514	20	30		BCEDMN
Cc1ncc(C(=O)N2CCC[C@H](NCC#N)C2)[nH]1	ZINC000998746757	643719167	/nfs/dbraw/zinc/71/91/67/643719167.db2.gz	SLGUQKLVJVMHHH-JTQLQIEISA-N	0	1	247.302	0.436	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000921980728	643837639	/nfs/dbraw/zinc/83/76/39/643837639.db2.gz	NOESPTPYVWRZNT-GMTAPVOTSA-N	0	1	236.319	0.682	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CN1CCCC1	ZINC000922738064	644079310	/nfs/dbraw/zinc/07/93/10/644079310.db2.gz	PYLQBWQFSRTANV-LLVKDONJSA-N	0	1	226.320	0.526	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)C1=NC(=O)N(C)C1	ZINC000922737503	644079650	/nfs/dbraw/zinc/07/96/50/644079650.db2.gz	RDWLGCQDTNIYAI-MRVPVSSYSA-N	0	1	239.275	0.183	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000922751802	644084510	/nfs/dbraw/zinc/08/45/10/644084510.db2.gz	WCJSDFAYBQPMLU-SNVBAGLBSA-N	0	1	223.276	0.396	20	30		BCEDMN
C=C(CC)CNC(=O)NC[C@H]1CCN1C	ZINC000922779037	644094563	/nfs/dbraw/zinc/09/45/63/644094563.db2.gz	NWMGBBABTLKULV-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CCN1CC(N(CC)C(=O)c2[nH]nnc2C)C1	ZINC000951108324	644193994	/nfs/dbraw/zinc/19/39/94/644193994.db2.gz	YOOICFQECOHZPD-UHFFFAOYSA-N	0	1	249.318	0.445	20	30		BCEDMN
C#CCC1(NCc2cnn(C)n2)CCC1	ZINC000922997018	644221959	/nfs/dbraw/zinc/22/19/59/644221959.db2.gz	CCYFFHTUZINUNA-UHFFFAOYSA-N	0	1	204.277	0.851	20	30		BCEDMN
C#CCN1CCC(NC(=O)NOCCC)CC1	ZINC000923040321	644244459	/nfs/dbraw/zinc/24/44/59/644244459.db2.gz	VUIFGPVNLXICEC-UHFFFAOYSA-N	0	1	239.319	0.725	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)/C=C\COC)C1	ZINC000923561009	644501860	/nfs/dbraw/zinc/50/18/60/644501860.db2.gz	PEFZENVCIPJMDU-HWPRWLFBSA-N	0	1	236.315	0.403	20	30		BCEDMN
CC[N@H+]1CCCC[C@H]1C([O-])=NOCC(N)=O	ZINC000089462738	644551875	/nfs/dbraw/zinc/55/18/75/644551875.db2.gz	POCXTKZYUNXXMM-QMMMGPOBSA-N	0	1	229.280	0.234	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@@H](C)N2)c(O)c1	ZINC000779804330	644717715	/nfs/dbraw/zinc/71/77/15/644717715.db2.gz	CZYJUBNNOZAROY-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc3cnccn23)N1	ZINC000779805635	644717905	/nfs/dbraw/zinc/71/79/05/644717905.db2.gz	QQOSFHYTNIGWNN-QMMMGPOBSA-N	0	1	243.274	0.001	20	30		BCEDMN
C#CCNC(=O)CN[C@H](CO)c1ccccc1C	ZINC000782081225	644739453	/nfs/dbraw/zinc/73/94/53/644739453.db2.gz	JBAXKVMGNAZDLX-CYBMUJFWSA-N	0	1	246.310	0.367	20	30		BCEDMN
COC[C@H](C#N)OC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000785369176	644768738	/nfs/dbraw/zinc/76/87/38/644768738.db2.gz	UWDGSQMLKLJFCO-IUCAKERBSA-N	0	1	249.270	0.911	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F	ZINC000958001438	644769133	/nfs/dbraw/zinc/76/91/33/644769133.db2.gz	FNERVJGWYPQGGT-BRPSZJMVSA-N	0	1	228.242	0.321	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1	ZINC000958033275	644771860	/nfs/dbraw/zinc/77/18/60/644771860.db2.gz	JZFSEGAVNIPUAV-ITGUQSILSA-N	0	1	241.294	0.375	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1	ZINC000958044444	644772371	/nfs/dbraw/zinc/77/23/71/644772371.db2.gz	VEMPISJRDZJWTP-IMRBUKKESA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1	ZINC000958450066	644796722	/nfs/dbraw/zinc/79/67/22/644796722.db2.gz	OJNRHTPBVSGLKW-ITGUQSILSA-N	0	1	230.311	0.632	20	30		BCEDMN
Cn1cc(C=NNc2cncnc2)nn1	ZINC000794979621	644806637	/nfs/dbraw/zinc/80/66/37/644806637.db2.gz	KWVKUHHMUSWWFI-UHFFFAOYSA-N	0	1	203.209	0.051	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C1CCC1	ZINC000958548337	644808861	/nfs/dbraw/zinc/80/88/61/644808861.db2.gz	OUMSSFQBKYBTKU-IMRBUKKESA-N	0	1	230.311	0.776	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cc(C#N)ccn2)=NO1	ZINC000807171409	644861713	/nfs/dbraw/zinc/86/17/13/644861713.db2.gz	RUYOOLHKHLMKTP-SSDOTTSWSA-N	0	1	230.227	0.805	20	30		BCEDMN
CC[N@@H+](CCO[C@H](C)C#N)CC(=O)N(C)C	ZINC000304206135	644876306	/nfs/dbraw/zinc/87/63/06/644876306.db2.gz	CWEGVPVPYZDGHH-SNVBAGLBSA-N	0	1	227.308	0.325	20	30		BCEDMN
CCN(CCO[C@H](C)C#N)CC(=O)N(C)C	ZINC000304206135	644876310	/nfs/dbraw/zinc/87/63/10/644876310.db2.gz	CWEGVPVPYZDGHH-SNVBAGLBSA-N	0	1	227.308	0.325	20	30		BCEDMN
CNC(=O)[C@@H]1CCCN1CCO[C@@H](C)C#N	ZINC000304218959	644877014	/nfs/dbraw/zinc/87/70/14/644877014.db2.gz	GYBBWDVPDVKISD-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=C(Cl)CNC(=O)N(C)Cc1nnc[nH]1	ZINC000821230933	645031921	/nfs/dbraw/zinc/03/19/21/645031921.db2.gz	XUQWCSYLEHVVFD-UHFFFAOYSA-N	0	1	229.671	0.699	20	30		BCEDMN
C#CC1CCN(C[C@H](C)S(C)(=O)=O)CC1	ZINC000830352063	645122078	/nfs/dbraw/zinc/12/20/78/645122078.db2.gz	ZMQWOPWYXLENGB-JTQLQIEISA-N	0	1	229.345	0.765	20	30		BCEDMN
Cc1ncsc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834521348	645142818	/nfs/dbraw/zinc/14/28/18/645142818.db2.gz	GVTZNPVVDFYISS-SFYZADRCSA-N	0	1	236.300	0.293	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)[nH]n1	ZINC000834521466	645143005	/nfs/dbraw/zinc/14/30/05/645143005.db2.gz	JQKOIEFFUHRWIU-LDYMZIIASA-N	0	1	247.302	0.374	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)c(N)c1	ZINC000834484111	645143187	/nfs/dbraw/zinc/14/31/87/645143187.db2.gz	DWMBRGHAVSUQOE-KWQFWETISA-N	0	1	248.261	0.249	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)c(N)c1	ZINC000834484110	645143829	/nfs/dbraw/zinc/14/38/29/645143829.db2.gz	DWMBRGHAVSUQOE-KCJUWKMLSA-N	0	1	248.261	0.249	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(F)c(N)c1	ZINC000834484109	645143753	/nfs/dbraw/zinc/14/37/53/645143753.db2.gz	DWMBRGHAVSUQOE-GZMMTYOYSA-N	0	1	248.261	0.249	20	30		BCEDMN
CC(C)COCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834521597	645143937	/nfs/dbraw/zinc/14/39/37/645143937.db2.gz	NTTIZIJWWFCGLZ-QWRGUYRKSA-N	0	1	239.319	0.277	20	30		BCEDMN
CC#CC(=O)N1CCN(CC)C[C@H]1CC	ZINC000836946619	645182832	/nfs/dbraw/zinc/18/28/32/645182832.db2.gz	ANDFICGUGSGOJH-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)NC1CCCCC1	ZINC000841507070	645217437	/nfs/dbraw/zinc/21/74/37/645217437.db2.gz	QKRZCRSWMSJPHV-MWLCHTKSSA-N	0	1	236.319	0.730	20	30		BCEDMN
C[C@H](NC(=O)N[C@H]1CNC[C@@H]1C#N)C1CC1	ZINC000841507111	645218087	/nfs/dbraw/zinc/21/80/87/645218087.db2.gz	SLTRCJLCTNDCQY-HGNGGELXSA-N	0	1	222.292	0.196	20	30		BCEDMN
Cc1ccc([C@@H](O)CNCC#CCO)cc1	ZINC000843078883	645261900	/nfs/dbraw/zinc/26/19/00/645261900.db2.gz	GACBVQNHJMDWFR-ZDUSSCGKSA-N	0	1	219.284	0.614	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1(CSC)CC1	ZINC000845444993	645361201	/nfs/dbraw/zinc/36/12/01/645361201.db2.gz	HXAJBBWSURDUBV-MRVPVSSYSA-N	0	1	240.328	0.975	20	30		BCEDMN
C#CCNCC(=O)N(C)CCOc1ccccc1	ZINC000105964639	645368816	/nfs/dbraw/zinc/36/88/16/645368816.db2.gz	PPSRXSHBBLEJBY-UHFFFAOYSA-N	0	1	246.310	0.747	20	30		BCEDMN
C#CC[C@@H]1NC(=O)N(Cc2cc(C)[nH]n2)C1=O	ZINC000927496777	645629048	/nfs/dbraw/zinc/62/90/48/645629048.db2.gz	XNAAYOGEYKALOK-VIFPVBQESA-N	0	1	232.243	0.162	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@H]1CCCN1C	ZINC000863799830	645705217	/nfs/dbraw/zinc/70/52/17/645705217.db2.gz	RGSPFJHSCNCYID-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCC(C)(C)C(=O)NC[C@H]1CCN1C	ZINC000928558385	645816327	/nfs/dbraw/zinc/81/63/27/645816327.db2.gz	KTPUWYBCLJWDPX-SNVBAGLBSA-N	0	1	208.305	0.856	20	30		BCEDMN
C[C@H](O)CN(CCO)Cc1ccc(C#N)o1	ZINC000878627398	645821769	/nfs/dbraw/zinc/82/17/69/645821769.db2.gz	PNPIUZDBNZIPLH-VIFPVBQESA-N	0	1	224.260	0.326	20	30		BCEDMN
C#CCN1CCC(NC(=O)/C=C\C)CC1	ZINC000928648932	645852085	/nfs/dbraw/zinc/85/20/85/645852085.db2.gz	VKANVKMAQSSQJI-HYXAFXHYSA-N	0	1	206.289	0.776	20	30		BCEDMN
C#CCN1CCC(NC(=O)C#CC(C)C)CC1	ZINC000928651639	645853541	/nfs/dbraw/zinc/85/35/41/645853541.db2.gz	YGNABDLDLZHDDP-UHFFFAOYSA-N	0	1	232.327	0.860	20	30		BCEDMN
C#CCN1CCC(NC(=O)CC2(C#N)CC2)CC1	ZINC000928650657	645853572	/nfs/dbraw/zinc/85/35/72/645853572.db2.gz	FSZPJKWMMKEDLR-UHFFFAOYSA-N	0	1	245.326	0.894	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](O)/C=C\C)CC1	ZINC000928649253	645853796	/nfs/dbraw/zinc/85/37/96/645853796.db2.gz	WUYVVPLIPSKIJD-FHMRSRPSSA-N	0	1	236.315	0.137	20	30		BCEDMN
C=CCN1CC(=O)N([C@@H](C)c2n[nH]c(C)n2)C1=O	ZINC000929008324	645927386	/nfs/dbraw/zinc/92/73/86/645927386.db2.gz	UAHNIYVXEKEZPN-ZETCQYMHSA-N	0	1	249.274	0.624	20	30		BCEDMN
C#CCN(C[C@@H](O)CO)[C@H]1CCc2ccccc21	ZINC000929336041	646084108	/nfs/dbraw/zinc/08/41/08/646084108.db2.gz	ZYSVGJJVOMDEKE-HIFRSBDPSA-N	0	1	245.322	0.962	20	30		BCEDMN
CN1C[C@@H](O)C[C@@H]1CNC(=O)C#CC(C)(C)C	ZINC000924978871	646147981	/nfs/dbraw/zinc/14/79/81/646147981.db2.gz	LLXLJVLJJINGDX-MNOVXSKESA-N	0	1	238.331	0.217	20	30		BCEDMN
N#CC[C@@H](O)CN(CCO)CCc1ccccc1	ZINC000929632514	646213211	/nfs/dbraw/zinc/21/32/11/646213211.db2.gz	XVVAKQHNPSMKPI-CQSZACIVSA-N	0	1	248.326	0.798	20	30		BCEDMN
C#CCN(CC)C(=O)NC[C@@H]1CCN1C	ZINC000925406411	646262327	/nfs/dbraw/zinc/26/23/27/646262327.db2.gz	SNEYPEBNGWGNAQ-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CCN1C	ZINC000925432736	646278650	/nfs/dbraw/zinc/27/86/50/646278650.db2.gz	URPXZAWFQYIVDD-QWRGUYRKSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=CC[C@H](CO)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000926152832	646584520	/nfs/dbraw/zinc/58/45/20/646584520.db2.gz	LGPJGAQZYQPKRH-OPRDCNLKSA-N	0	1	222.292	0.811	20	30		BCEDMN
C#C[C@H](N[C@H]1CCC1(OC)OC)[C@H]1CCCO1	ZINC000926211932	646596170	/nfs/dbraw/zinc/59/61/70/646596170.db2.gz	WNASRWQLJYCNGN-TUAOUCFPSA-N	0	1	239.315	0.908	20	30		BCEDMN
N#Cc1cncc(CN2CCC[C@H]2CO)c1	ZINC000721543047	711619783	/nfs/dbraw/zinc/61/97/83/711619783.db2.gz	VZZDISNWXDSXHK-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
C#CCNCC(=O)NCCSC(C)(C)C	ZINC000397389972	711747273	/nfs/dbraw/zinc/74/72/73/711747273.db2.gz	XLUIVRFNCUWZFM-UHFFFAOYSA-N	0	1	228.361	0.857	20	30		BCEDMN
Cc1cc(C[C@@H](C)NC(=O)NCCC#N)n[nH]1	ZINC000426433148	711764451	/nfs/dbraw/zinc/76/44/51/711764451.db2.gz	LNYJZOJWKHLBOZ-MRVPVSSYSA-N	0	1	235.291	0.862	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)NCC#CCN(C)C)CO1	ZINC000913520909	711823937	/nfs/dbraw/zinc/82/39/37/711823937.db2.gz	DBSSWLPIBHGTBL-MNOVXSKESA-N	0	1	224.304	0.093	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@]1(C)CCOC1	ZINC000913521107	711823999	/nfs/dbraw/zinc/82/39/99/711823999.db2.gz	LEDILECZPOPZNZ-LBPRGKRZSA-N	0	1	224.304	0.094	20	30		BCEDMN
C#CC1(O)CCN([C@H](C)C(=O)NCCC)CC1	ZINC000708142393	712183201	/nfs/dbraw/zinc/18/32/01/712183201.db2.gz	GBPJKUPGESPKMH-LLVKDONJSA-N	0	1	238.331	0.361	20	30		BCEDMN
C[C@H](O)[C@H]1CCCCN1CC(=O)NCCC#N	ZINC000708314145	712186601	/nfs/dbraw/zinc/18/66/01/712186601.db2.gz	ZEXHKKYWBYQICI-WDEREUQCSA-N	0	1	239.319	0.252	20	30		BCEDMN
C#C[C@H](NC(=O)C1=NC(=O)N(C)C1)C(C)C	ZINC000708336588	712188374	/nfs/dbraw/zinc/18/83/74/712188374.db2.gz	WCIVOIFGLMDBGO-QMMMGPOBSA-N	0	1	221.260	0.513	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708336597	712188644	/nfs/dbraw/zinc/18/86/44/712188644.db2.gz	WEHMZFRTQMQZHR-MRVPVSSYSA-N	0	1	221.260	0.657	20	30		BCEDMN
CC[C@]1(O)CCCN(CC(=O)NCCC#N)C1	ZINC000710636012	712264455	/nfs/dbraw/zinc/26/44/55/712264455.db2.gz	QWGUHGKYALYDJT-LBPRGKRZSA-N	0	1	239.319	0.253	20	30		BCEDMN
C#CCCS(=O)(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000710996991	712273625	/nfs/dbraw/zinc/27/36/25/712273625.db2.gz	NEVDIKRRPRZAJB-SNVBAGLBSA-N	0	1	242.344	0.166	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC001079391738	712348397	/nfs/dbraw/zinc/34/83/97/712348397.db2.gz	KXQLHYJFNFEZQN-IJLUTSLNSA-N	0	1	236.315	0.235	20	30		BCEDMN
C=CCC[C@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000715946263	712544920	/nfs/dbraw/zinc/54/49/20/712544920.db2.gz	RKLPQMGLWIJEAV-NXEZZACHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CC[C@@H](COC)NCCS(=O)(=O)CC	ZINC000716340026	712555537	/nfs/dbraw/zinc/55/55/37/712555537.db2.gz	LPGZDXUGJOXJNL-JTQLQIEISA-N	0	1	233.333	0.049	20	30		BCEDMN
C=CCOCCN1CCC[C@H]2CCNC(=O)[C@@H]21	ZINC000880523706	712633498	/nfs/dbraw/zinc/63/34/98/712633498.db2.gz	KNGILGSRGCLKQG-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCC1(O)CCN(CC(=O)NC)CC1	ZINC000717406526	712655795	/nfs/dbraw/zinc/65/57/95/712655795.db2.gz	ONHOZFYZRVGPSP-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCC1(O)CCN([C@@H](CC)C(N)=O)CC1	ZINC000717422956	712657692	/nfs/dbraw/zinc/65/76/92/712657692.db2.gz	IJJYLEYIKAFQGD-JTQLQIEISA-N	0	1	226.320	0.653	20	30		BCEDMN
N#C[C@H]1CCCN(C[C@H]2CNC(=O)C2)C1	ZINC000932154971	712716082	/nfs/dbraw/zinc/71/60/82/712716082.db2.gz	UGOINCMNVVMPHD-NXEZZACHSA-N	0	1	207.277	0.358	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccccc1	ZINC000717957442	712735490	/nfs/dbraw/zinc/73/54/90/712735490.db2.gz	BSQBGTZZTNIUHZ-UHFFFAOYSA-N	0	1	216.284	0.981	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCS1	ZINC000381483130	710645114	/nfs/dbraw/zinc/64/51/14/710645114.db2.gz	FZXZIGUNZPIUFY-VGMNWLOBSA-N	0	1	225.317	0.110	20	30		BCEDMN
C=CC[NH2+][C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001018750490	710669043	/nfs/dbraw/zinc/66/90/43/710669043.db2.gz	KJQBWVVAFRYZHW-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
CCNC(=O)C(C)(C)NCc1cncc(C#N)c1	ZINC000721603545	710684424	/nfs/dbraw/zinc/68/44/24/710684424.db2.gz	CKIIAHYCAZRRBS-UHFFFAOYSA-N	0	1	246.314	0.958	20	30		BCEDMN
C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001038416774	710685931	/nfs/dbraw/zinc/68/59/31/710685931.db2.gz	LLMFEHUMMGUXDL-STQMWFEESA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C	ZINC001038416774	710685934	/nfs/dbraw/zinc/68/59/34/710685934.db2.gz	LLMFEHUMMGUXDL-STQMWFEESA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cccnc1	ZINC000381719352	710685994	/nfs/dbraw/zinc/68/59/94/710685994.db2.gz	LPWAHSYEOQRRSB-JTQLQIEISA-N	0	1	217.272	0.482	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ccncn1	ZINC001038826808	710709896	/nfs/dbraw/zinc/70/98/96/710709896.db2.gz	NLBFUCIPGRBVBN-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ccncn1	ZINC001038826809	710711129	/nfs/dbraw/zinc/71/11/29/710711129.db2.gz	NLBFUCIPGRBVBN-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC001044477588	710827114	/nfs/dbraw/zinc/82/71/14/710827114.db2.gz	DVNCYPYUOZMVSN-UWVGGRQHSA-N	0	1	247.302	0.516	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046162506	710852864	/nfs/dbraw/zinc/85/28/64/710852864.db2.gz	JVEPBNKRCQWIIS-LBPRGKRZSA-N	0	1	232.287	0.237	20	30		BCEDMN
CC#CCN1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046158882	710852964	/nfs/dbraw/zinc/85/29/64/710852964.db2.gz	QLKCZKYFCCGEFW-CYBMUJFWSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001046190825	710853573	/nfs/dbraw/zinc/85/35/73/710853573.db2.gz	XIGXZEIFDIKNKO-OCCSQVGLSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCOC2)C1	ZINC001046177440	710854303	/nfs/dbraw/zinc/85/43/03/710854303.db2.gz	IPBHAPMJXMLKBO-WCQYABFASA-N	0	1	236.315	0.237	20	30		BCEDMN
C=CCCN1CC2(C1)CC[C@H](CNC(C)=O)O2	ZINC001053558396	710921465	/nfs/dbraw/zinc/92/14/65/710921465.db2.gz	PQECVDGCWHEVDS-GFCCVEGCSA-N	0	1	238.331	0.932	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)n[nH]1	ZINC001054466569	710935343	/nfs/dbraw/zinc/93/53/43/710935343.db2.gz	MHEUTOOFHCZDFY-KCJUWKMLSA-N	0	1	247.302	0.292	20	30		BCEDMN
CNC(=O)[C@H](C#N)C(=O)[C@@H]1CC1(Cl)Cl	ZINC000133427531	710970609	/nfs/dbraw/zinc/97/06/09/710970609.db2.gz	DZASJMJARMRMMS-UHNVWZDZSA-N	0	1	235.070	0.635	20	30		BCEDMN
C#CCCCN(CC)[C@H]1CCS(=O)(=O)C1	ZINC000387276047	711042303	/nfs/dbraw/zinc/04/23/03/711042303.db2.gz	NQBREQAUNSVBFC-NSHDSACASA-N	0	1	229.345	0.909	20	30		BCEDMN
C#CCN1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2	ZINC001071107824	711166648	/nfs/dbraw/zinc/16/66/48/711166648.db2.gz	ONXRJDUFZYRAMF-WCQYABFASA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)CC)CC[C@@H]1C	ZINC001071278761	711183344	/nfs/dbraw/zinc/18/33/44/711183344.db2.gz	IWFUULATZWCZGH-WDEREUQCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)C2CC2)CC[C@@H]1C	ZINC001071291877	711185580	/nfs/dbraw/zinc/18/55/80/711185580.db2.gz	QMNINTBETWAGFZ-CMPLNLGQSA-N	0	1	220.316	0.999	20	30		BCEDMN
CC#CCN1C[C@H](NC(C)=O)CC[C@@H]1C	ZINC001071289785	711185909	/nfs/dbraw/zinc/18/59/09/711185909.db2.gz	XJJSFZFWYMTXKL-CMPLNLGQSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#C[C@@](C)(CC)NCCS(=O)(=O)N(C)C	ZINC000395268975	711205869	/nfs/dbraw/zinc/20/58/69/711205869.db2.gz	PPJMIVZPWKUITD-JTQLQIEISA-N	0	1	232.349	0.269	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](O)CC(C)(C)C1	ZINC000395313476	711207192	/nfs/dbraw/zinc/20/71/92/711207192.db2.gz	HUJCJVSNZDHBNI-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ccsn2)C1	ZINC001014873824	710612708	/nfs/dbraw/zinc/61/27/08/710612708.db2.gz	FGELFLVDYOFQPK-SNVBAGLBSA-N	0	1	249.339	0.971	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CCCC1	ZINC000381480116	710643544	/nfs/dbraw/zinc/64/35/44/710643544.db2.gz	CNQHOUREWJCDCB-UWVGGRQHSA-N	0	1	207.277	0.404	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2cocn2)CC1	ZINC001045381897	710838104	/nfs/dbraw/zinc/83/81/04/710838104.db2.gz	TWJFFBGQNCCWRH-UHFFFAOYSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2cccn2C)C1	ZINC001046148821	710852028	/nfs/dbraw/zinc/85/20/28/710852028.db2.gz	DXDSLNJVHJFLIO-CQSZACIVSA-N	0	1	245.326	0.853	20	30		BCEDMN
N#CCCNC(=O)CN1CCC[C@@H](CO)CC1	ZINC000383249447	710979063	/nfs/dbraw/zinc/97/90/63/710979063.db2.gz	QVGAAQLLLRXTPC-LLVKDONJSA-N	0	1	239.319	0.111	20	30		BCEDMN
COC(=O)N[C@H]1CC[N@@H+](CCOCCC#N)C1	ZINC000385341383	711010813	/nfs/dbraw/zinc/01/08/13/711010813.db2.gz	XXLYGLZKPBWMIR-JTQLQIEISA-N	0	1	241.291	0.347	20	30		BCEDMN
COC(=O)N[C@H]1CCN(CCOCCC#N)C1	ZINC000385341383	711010817	/nfs/dbraw/zinc/01/08/17/711010817.db2.gz	XXLYGLZKPBWMIR-JTQLQIEISA-N	0	1	241.291	0.347	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCc1n[nH]c(C)n1	ZINC000392726806	711150207	/nfs/dbraw/zinc/15/02/07/711150207.db2.gz	QWXOHDPEHVELQS-SSDOTTSWSA-N	0	1	207.237	0.279	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cncnc1	ZINC001038187558	711477083	/nfs/dbraw/zinc/47/70/83/711477083.db2.gz	ROSHUIWQDNDMQI-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1	ZINC001038040427	711565589	/nfs/dbraw/zinc/56/55/89/711565589.db2.gz	AKHXHQBMLQDDJG-GFCCVEGCSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cnn(C)c1	ZINC001038040427	711565592	/nfs/dbraw/zinc/56/55/92/711565592.db2.gz	AKHXHQBMLQDDJG-GFCCVEGCSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CC[C@H]1CCN1Cc1cc(=O)n(C)c(=O)n1C	ZINC000934469321	711587991	/nfs/dbraw/zinc/58/79/91/711587991.db2.gz	SIXMWQIZFYPMLY-JTQLQIEISA-N	0	1	249.314	0.234	20	30		BCEDMN
CCN(CCO)Cc1cncc(C#N)c1	ZINC000721541481	711620192	/nfs/dbraw/zinc/62/01/92/711620192.db2.gz	PQFFTNMNXPHUFE-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
C[C@H]1CN(Cc2cncc(C#N)c2)C[C@H]1O	ZINC000721556819	711624636	/nfs/dbraw/zinc/62/46/36/711624636.db2.gz	MQNMNDIAQUFDMO-JOYOIKCWSA-N	0	1	217.272	0.766	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@@H]1COCC[C@H]1OC	ZINC000724894628	711626117	/nfs/dbraw/zinc/62/61/17/711626117.db2.gz	RTFHECRSNAIIMR-HBNTYKKESA-N	0	1	242.319	0.071	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccncn2)C1	ZINC000972567385	711633411	/nfs/dbraw/zinc/63/34/11/711633411.db2.gz	GOTYQYOPTAADED-NSHDSACASA-N	0	1	244.298	0.256	20	30		BCEDMN
C#CCN1CCC[C@@H](CNC(=O)c2cnco2)C1	ZINC001023515507	711636279	/nfs/dbraw/zinc/63/62/79/711636279.db2.gz	BTDJHGCCONSVNT-NSHDSACASA-N	0	1	247.298	0.750	20	30		BCEDMN
CC#CCN1C[C@@H]2CCN(C(C)=O)[C@@H]2C1	ZINC001075470056	711638734	/nfs/dbraw/zinc/63/87/34/711638734.db2.gz	YPQYJEWURMHSGI-NWDGAFQWSA-N	0	1	206.289	0.562	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)CC)C(C)(C)C1	ZINC000972704298	711661832	/nfs/dbraw/zinc/66/18/32/711661832.db2.gz	HVVZQLNBEAWXRE-JTQLQIEISA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCNCC(=O)Nc1ccc(=O)n(CC)c1	ZINC000092492654	711705893	/nfs/dbraw/zinc/70/58/93/711705893.db2.gz	RZVIBTLLUUEONA-UHFFFAOYSA-N	0	1	233.271	0.030	20	30		BCEDMN
C#CCNCC(=O)NCc1ccccc1COC	ZINC000092492635	711705967	/nfs/dbraw/zinc/70/59/67/711705967.db2.gz	ZXPWLHLZORDVJD-UHFFFAOYSA-N	0	1	246.310	0.672	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@H]1COCC	ZINC000313210437	711715415	/nfs/dbraw/zinc/71/54/15/711715415.db2.gz	PHPJZJDFBFFDKE-LBPRGKRZSA-N	0	1	238.331	0.627	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cnnn1C	ZINC001027855680	711739535	/nfs/dbraw/zinc/73/95/35/711739535.db2.gz	USDIHYKITSZQSN-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ncc[nH]1	ZINC001027872254	711740194	/nfs/dbraw/zinc/74/01/94/711740194.db2.gz	OBCMUMXAFNIMBZ-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2ncc[nH]2)CC1	ZINC000981119907	711752708	/nfs/dbraw/zinc/75/27/08/711752708.db2.gz	MKIXJXAXZWLYCJ-UHFFFAOYSA-N	0	1	246.314	0.581	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1	ZINC001075600489	711755856	/nfs/dbraw/zinc/75/58/56/711755856.db2.gz	WAAWFPLBFQDDNN-YNEHKIRRSA-N	0	1	248.326	0.189	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C	ZINC000048542934	711770095	/nfs/dbraw/zinc/77/00/95/711770095.db2.gz	VKNPHMUWXSGFAI-DJLDLDEBSA-N	0	1	208.261	0.876	20	30		BCEDMN
C=CCN1CC(N(C)C(=O)c2ccn[nH]2)C1	ZINC001042492606	711775066	/nfs/dbraw/zinc/77/50/66/711775066.db2.gz	RZSPMFXODNDNHE-UHFFFAOYSA-N	0	1	220.276	0.352	20	30		BCEDMN
C=C(C)CN(C)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897330658	711786129	/nfs/dbraw/zinc/78/61/29/711786129.db2.gz	BGNUSEMELVFXPB-GFCCVEGCSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#Cc1ccc(C(=O)N2CCCN(C)CC2)nc1	ZINC000728982519	711787707	/nfs/dbraw/zinc/78/77/07/711787707.db2.gz	DJDIWGHKFBYMBV-UHFFFAOYSA-N	0	1	243.310	0.841	20	30		BCEDMN
CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCCN1C	ZINC001038119353	711801333	/nfs/dbraw/zinc/80/13/33/711801333.db2.gz	VVDGMGNQHBTILJ-QWHCGFSZSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2C1	ZINC001076287216	711804765	/nfs/dbraw/zinc/80/47/65/711804765.db2.gz	JSYGYGBMQHFCFN-YNEHKIRRSA-N	0	1	244.338	0.952	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)C)C1	ZINC001076753250	711808467	/nfs/dbraw/zinc/80/84/67/711808467.db2.gz	FUHBFFOTQWUXBZ-GHMZBOCLSA-N	0	1	226.320	0.380	20	30		BCEDMN
Cc1cc(F)ncc1C(=O)NCC#CCN(C)C	ZINC000913525285	711823318	/nfs/dbraw/zinc/82/33/18/711823318.db2.gz	QKLGZRKSRUPIAG-UHFFFAOYSA-N	0	1	249.289	0.824	20	30		BCEDMN
CCO[C@H]1[C@H](C(=O)NCC#CCN(C)C)[C@@H]1C	ZINC000913524441	711823375	/nfs/dbraw/zinc/82/33/75/711823375.db2.gz	MQDIUNWXBGXTRC-QJPTWQEYSA-N	0	1	238.331	0.339	20	30		BCEDMN
CC(=O)CCCC(=O)NCC#CCN(C)C	ZINC000913515739	711823740	/nfs/dbraw/zinc/82/37/40/711823740.db2.gz	LDWXWFUSURHHAV-UHFFFAOYSA-N	0	1	224.304	0.427	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(F)cn1	ZINC000913520995	711823899	/nfs/dbraw/zinc/82/38/99/711823899.db2.gz	HJUWNFRQSLNLDR-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
CC(C)[C@@H]1C[C@H]1C(=O)NCC#CCN(C)C	ZINC000913521092	711823947	/nfs/dbraw/zinc/82/39/47/711823947.db2.gz	KPKROJNBTXQKSL-NWDGAFQWSA-N	0	1	222.332	0.960	20	30		BCEDMN
CO[C@@](C)(C(=O)NCC#CCN(C)C)C1CC1	ZINC000913522333	711824170	/nfs/dbraw/zinc/82/41/70/711824170.db2.gz	FFMWUCSHMXLXCT-CYBMUJFWSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCOc1ccccc1CN[C@H](CO)COC	ZINC000229072758	711837296	/nfs/dbraw/zinc/83/72/96/711837296.db2.gz	NPZFTKAXJJPGBX-CYBMUJFWSA-N	0	1	249.310	0.796	20	30		BCEDMN
C=C(Br)CNC[C@@H](O)COC	ZINC000070590308	711895857	/nfs/dbraw/zinc/89/58/57/711895857.db2.gz	XWZLZVCARFXTSI-SSDOTTSWSA-N	0	1	224.098	0.492	20	30		BCEDMN
CC#CCN1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1	ZINC001032924347	711967656	/nfs/dbraw/zinc/96/76/56/711967656.db2.gz	CVDGTIFYRQVZQE-LLVKDONJSA-N	0	1	246.314	0.579	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1	ZINC001032924151	711967990	/nfs/dbraw/zinc/96/79/90/711967990.db2.gz	JNKHKSBARDRRGN-JTQLQIEISA-N	0	1	234.303	0.742	20	30		BCEDMN
CC#CCN1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1	ZINC001032924348	711968095	/nfs/dbraw/zinc/96/80/95/711968095.db2.gz	CVDGTIFYRQVZQE-NSHDSACASA-N	0	1	246.314	0.579	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1	ZINC001032926671	711968480	/nfs/dbraw/zinc/96/84/80/711968480.db2.gz	VCDHISZQNRUBRM-LLVKDONJSA-N	0	1	234.303	0.742	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)C2=COCCC2)C1	ZINC001032939736	711968514	/nfs/dbraw/zinc/96/85/14/711968514.db2.gz	FQXRXCVTTCCGOJ-ZDUSSCGKSA-N	0	1	248.326	0.847	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ccnn2C)C1	ZINC001032946038	711968942	/nfs/dbraw/zinc/96/89/42/711968942.db2.gz	SXPFUGCKPKLETI-LLVKDONJSA-N	0	1	248.330	0.752	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1	ZINC001032944261	711968992	/nfs/dbraw/zinc/96/89/92/711968992.db2.gz	WOUCXJJZPJRIBS-RYUDHWBXSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1	ZINC001033035384	711971507	/nfs/dbraw/zinc/97/15/07/711971507.db2.gz	FOESGUSUQFPFPR-CYBMUJFWSA-N	0	1	248.326	0.499	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cncnc2)C1	ZINC001033034197	711971592	/nfs/dbraw/zinc/97/15/92/711971592.db2.gz	VTVIFBXXLKUFFV-LBPRGKRZSA-N	0	1	246.314	0.809	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CC(N2CCCC2)C1	ZINC000700543237	711996848	/nfs/dbraw/zinc/99/68/48/711996848.db2.gz	HYJFWEVCKCFOOL-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCCN1CC[C@H](N(C)C(=O)c2cnon2)C1	ZINC001033520236	711998798	/nfs/dbraw/zinc/99/87/98/711998798.db2.gz	CJRFEYGIJJPZCF-JTQLQIEISA-N	0	1	248.286	0.239	20	30		BCEDMN
CC#CCN1CC[C@H](N(CC)C(C)=O)C1	ZINC001033722938	712014361	/nfs/dbraw/zinc/01/43/61/712014361.db2.gz	NETGXIDHQRXRIN-LBPRGKRZSA-N	0	1	208.305	0.952	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000702294665	712042991	/nfs/dbraw/zinc/04/29/91/712042991.db2.gz	CXUPWIAVLWLSAM-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn[n-]2)C1	ZINC001034284018	712057019	/nfs/dbraw/zinc/05/70/19/712057019.db2.gz	WOKAQGKKRCPANK-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(C)=O)CC2	ZINC001035625090	712137763	/nfs/dbraw/zinc/13/77/63/712137763.db2.gz	MWYMZZPHBJLCBQ-UHFFFAOYSA-N	0	1	206.289	0.564	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C=C)CC1	ZINC000706500713	712148277	/nfs/dbraw/zinc/14/82/77/712148277.db2.gz	JAFIJLWOIFAVTP-UHFFFAOYSA-N	0	1	206.289	0.634	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[C@@H]1NCC#N	ZINC001035937600	712150652	/nfs/dbraw/zinc/15/06/52/712150652.db2.gz	ZBXBKZAPCYTWCB-ZJUUUORDSA-N	0	1	247.302	0.373	20	30		BCEDMN
C[C@H](O)[C@@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000708422529	712194396	/nfs/dbraw/zinc/19/43/96/712194396.db2.gz	GPVZATZANICCME-WDEREUQCSA-N	0	1	239.319	0.109	20	30		BCEDMN
C#CCCCS(=O)(=O)NC[C@H](C)N(C)C	ZINC000710049876	712243439	/nfs/dbraw/zinc/24/34/39/712243439.db2.gz	KEXLPADSNXZHGG-JTQLQIEISA-N	0	1	232.349	0.269	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1	ZINC001079500944	712348863	/nfs/dbraw/zinc/34/88/63/712348863.db2.gz	QETQVRLZXKPHKC-ZYHUDNBSSA-N	0	1	247.298	0.287	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001079443101	712348912	/nfs/dbraw/zinc/34/89/12/712348912.db2.gz	PXQDLGPDDBVUHG-MWLCHTKSSA-N	0	1	232.287	0.093	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001080975629	712353655	/nfs/dbraw/zinc/35/36/55/712353655.db2.gz	RWJBYDVKRKPASP-DGCLKSJQSA-N	0	1	245.326	0.627	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000764907309	712412497	/nfs/dbraw/zinc/41/24/97/712412497.db2.gz	IIGZJNUDBKJYJC-SECBINFHSA-N	0	1	217.276	0.661	20	30		BCEDMN
CN1CC[C@@H]1CNCc1nc(C#N)cs1	ZINC000712557784	712445128	/nfs/dbraw/zinc/44/51/28/712445128.db2.gz	NSYORKOVWGRGTB-SECBINFHSA-N	0	1	222.317	0.808	20	30		BCEDMN
CCN1CC[C@H]1CNc1nccnc1C#N	ZINC000712571677	712447456	/nfs/dbraw/zinc/44/74/56/712447456.db2.gz	YKRHHLSKBTXCPE-VIFPVBQESA-N	0	1	217.276	0.854	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@@H](C(=O)OC)C1	ZINC000715742616	712531099	/nfs/dbraw/zinc/53/10/99/712531099.db2.gz	ZAKLVFWDFPKVCQ-NXEZZACHSA-N	0	1	213.277	0.825	20	30		BCEDMN
C#CCC1(O)CCN(C(=O)c2cc(C)[nH]n2)CC1	ZINC000882521449	712635557	/nfs/dbraw/zinc/63/55/57/712635557.db2.gz	CDAIXBFRPZVDBQ-UHFFFAOYSA-N	0	1	247.298	0.709	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccccn1	ZINC000717785072	712676156	/nfs/dbraw/zinc/67/61/56/712676156.db2.gz	APWXPOSERUVBJY-GFCCVEGCSA-N	0	1	204.273	0.946	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)c1[nH]nc2c1CCCC2	ZINC000718143505	712748288	/nfs/dbraw/zinc/74/82/88/712748288.db2.gz	KTWAZCOMWYJGIY-QMMMGPOBSA-N	0	1	233.271	0.012	20	30		BCEDMN
O=C(C#Cc1ccccc1)NCc1nnc[nH]1	ZINC000037920275	712787046	/nfs/dbraw/zinc/78/70/46/712787046.db2.gz	XKQVPWYJICQHRH-UHFFFAOYSA-N	0	1	226.239	0.473	20	30		BCEDMN
Cc1nc(CNC(=O)C2(C#N)CCCC2)n[nH]1	ZINC000392728533	712831510	/nfs/dbraw/zinc/83/15/10/712831510.db2.gz	RJSUNQLBCKMXRQ-UHFFFAOYSA-N	0	1	233.275	0.813	20	30		BCEDMN
C#CC(=O)N[C@H]1CCCN2CCSC[C@H]12	ZINC000720459712	712844496	/nfs/dbraw/zinc/84/44/96/712844496.db2.gz	UMEQFPZYMFEYEH-VHSXEESVSA-N	0	1	224.329	0.316	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1	ZINC000602143256	349451887	/nfs/dbraw/zinc/45/18/87/349451887.db2.gz	RWUCEDKDBUPXSY-JQWIXIFHSA-N	0	1	239.294	0.935	20	30		BCEDMN
COCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000602158092	349464417	/nfs/dbraw/zinc/46/44/17/349464417.db2.gz	KKBHNEIFLPFBFF-NXEZZACHSA-N	0	1	248.286	0.512	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)[C@@H](C)N(C)C)C(=O)OC	ZINC000602197147	349473230	/nfs/dbraw/zinc/47/32/30/349473230.db2.gz	ULKQRESVONXMFR-NXEZZACHSA-N	0	1	242.319	0.561	20	30		BCEDMN
C[C@@H]1[C@H](O)CCN1Cc1cccc(C#N)n1	ZINC000602682078	398147083	/nfs/dbraw/zinc/14/70/83/398147083.db2.gz	QQXMCEXEYHDHSB-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@H](C#N)C(=O)N(C)[C@@H]1CN2CCC1CC2	ZINC000334192764	136215759	/nfs/dbraw/zinc/21/57/59/136215759.db2.gz	JPNYMGVUBZZTBA-MWLCHTKSSA-N	0	1	221.304	0.699	20	30		BCEDMN
C=CCn1cc(CN[C@H](CC)COC)nn1	ZINC000424290076	398179298	/nfs/dbraw/zinc/17/92/98/398179298.db2.gz	BBRLLHDYPITKME-SNVBAGLBSA-N	0	1	224.308	0.979	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NCCN1CCCC1=O	ZINC000309492961	136218703	/nfs/dbraw/zinc/21/87/03/136218703.db2.gz	JHCOUXMMAPBWDO-WDEREUQCSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CCCCc1cn[nH]n1	ZINC000185355215	136220017	/nfs/dbraw/zinc/22/00/17/136220017.db2.gz	PEAPJFOXPGKKTR-SECBINFHSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#CCN1CCN(CCC(=O)OC)C[C@@H]1C	ZINC000182117252	136218712	/nfs/dbraw/zinc/21/87/12/136218712.db2.gz	ZFYGWGXNTBSMIV-NSHDSACASA-N	0	1	224.304	0.189	20	30		BCEDMN
C=C(C)CCNC(=O)[C@@H]1C[C@H](OC)CN1C	ZINC000452721401	488171757	/nfs/dbraw/zinc/17/17/57/488171757.db2.gz	ZWZLHFDUXZKIBH-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCOCC	ZINC000093317709	398243312	/nfs/dbraw/zinc/24/33/12/398243312.db2.gz	KOTHOHVFSXKGKO-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C[C@@H]1C[C@@H](O)CN1Cc1ccc(C#N)cn1	ZINC000576644391	365647132	/nfs/dbraw/zinc/64/71/32/365647132.db2.gz	DJQBWDOSRCUCII-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
C=C(C)CCNS(=O)(=O)c1ncc[nH]1	ZINC000386657714	398265602	/nfs/dbraw/zinc/26/56/02/398265602.db2.gz	CXLNEKXUNRGZEY-UHFFFAOYSA-N	0	1	215.278	0.654	20	30		BCEDMN
Cc1nnc(NC(=O)CC2(C#N)CC2)[nH]1	ZINC000590215665	346827197	/nfs/dbraw/zinc/82/71/97/346827197.db2.gz	PRBJEEKEEAWGAX-UHFFFAOYSA-N	0	1	205.221	0.746	20	30		BCEDMN
C=CCOCCN1CCO[C@](C)(COC)C1	ZINC000626177645	346838909	/nfs/dbraw/zinc/83/89/09/346838909.db2.gz	SBAKJIVTDJQCHZ-LBPRGKRZSA-N	0	1	229.320	0.926	20	30		BCEDMN
N#Cc1csc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1	ZINC000157205985	344000749	/nfs/dbraw/zinc/00/07/49/344000749.db2.gz	AJXRTOHBWAOOAU-SECBINFHSA-N	0	1	235.312	0.927	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC000650503705	398274697	/nfs/dbraw/zinc/27/46/97/398274697.db2.gz	URXLRADDESMFQV-RKDXNWHRSA-N	0	1	226.276	0.226	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC000650503705	398274700	/nfs/dbraw/zinc/27/47/00/398274700.db2.gz	URXLRADDESMFQV-RKDXNWHRSA-N	0	1	226.276	0.226	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN(C)C1CCC1	ZINC000629988904	361873751	/nfs/dbraw/zinc/87/37/51/361873751.db2.gz	JPVRGPJKLWCLTN-JTQLQIEISA-N	0	1	226.320	0.524	20	30		BCEDMN
COC[C@@H](O)CN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000042504968	342777845	/nfs/dbraw/zinc/77/78/45/342777845.db2.gz	OGERUGOISBODGK-OUAUKWLOSA-N	0	1	212.293	0.618	20	30		BCEDMN
CC[C@H](CC#N)N[C@H]1CCCNC(=O)C1	ZINC000602610217	349633377	/nfs/dbraw/zinc/63/33/77/349633377.db2.gz	GUMXQSLNGRRVQN-ZJUUUORDSA-N	0	1	209.293	0.937	20	30		BCEDMN
C[C@H](NC(=O)c1cnccc1C#N)c1nnc[nH]1	ZINC000343038731	342907884	/nfs/dbraw/zinc/90/78/84/342907884.db2.gz	UEJMAZQDXXXHRM-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
C[C@@H](Cn1cncn1)NCC(C)(C)C#N	ZINC000602612960	349636724	/nfs/dbraw/zinc/63/67/24/349636724.db2.gz	KBXOMUGVRCILCU-VIFPVBQESA-N	0	1	207.281	0.806	20	30		BCEDMN
N#Cc1cscc1C(=O)NCc1nn[nH]n1	ZINC000590239940	346871571	/nfs/dbraw/zinc/87/15/71/346871571.db2.gz	HUNNPMZNCJXSCZ-UHFFFAOYSA-N	0	1	234.244	0.063	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@@H]1CCCCN1C	ZINC000260232731	349654363	/nfs/dbraw/zinc/65/43/63/349654363.db2.gz	WTABSLYIHQTEPO-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CNC(=O)[C@@H]1CCN(Cc2cccc(C#N)n2)C1	ZINC000602697701	349693733	/nfs/dbraw/zinc/69/37/33/349693733.db2.gz	LIHRCFKTVNMMLE-SNVBAGLBSA-N	0	1	244.298	0.521	20	30		BCEDMN
N#CCC1(CN2CC[C@H](NC(N)=O)C2)CC1	ZINC000602795865	349737924	/nfs/dbraw/zinc/73/79/24/349737924.db2.gz	BEDIGGFLRVRZAT-VIFPVBQESA-N	0	1	222.292	0.423	20	30		BCEDMN
CCN(CC1(CC#N)CC1)[C@H]1CCNC1=O	ZINC000602823769	349762976	/nfs/dbraw/zinc/76/29/76/349762976.db2.gz	DHGNIFJECIUSSP-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCC1(CN2C[C@H](O)C[C@H](O)C2)CC1	ZINC000602786810	349750379	/nfs/dbraw/zinc/75/03/79/349750379.db2.gz	YNOOACVAMCLYNW-AOOOYVTPSA-N	0	1	210.277	0.108	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)Cn1cccn1	ZINC000602861942	349773495	/nfs/dbraw/zinc/77/34/95/349773495.db2.gz	JTQPQIVOWFYRFH-NXEZZACHSA-N	0	1	208.265	0.136	20	30		BCEDMN
Cn1cc([C@@H](CO)NCC2(CC#N)CC2)cn1	ZINC000602807000	349769485	/nfs/dbraw/zinc/76/94/85/349769485.db2.gz	GVBIFDVKFGOPSN-LLVKDONJSA-N	0	1	234.303	0.737	20	30		BCEDMN
C[C@@H]1CN(CCc2cn[nH]n2)C[C@@H](C)N1CC#N	ZINC000602850807	349785847	/nfs/dbraw/zinc/78/58/47/349785847.db2.gz	SLGGGYZVNNAICA-GHMZBOCLSA-N	0	1	248.334	0.265	20	30		BCEDMN
N#CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000356725281	136266392	/nfs/dbraw/zinc/26/63/92/136266392.db2.gz	IZWZRQWOASQNGN-UHFFFAOYSA-N	0	1	221.172	0.554	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)n1cc(CNCC)nn1	ZINC000640883124	362068864	/nfs/dbraw/zinc/06/88/64/362068864.db2.gz	BDZSCHXJYXYWDP-SECBINFHSA-N	0	1	237.307	0.251	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)COC[C@@H]1CCCO1	ZINC000602865125	349796961	/nfs/dbraw/zinc/79/69/61/349796961.db2.gz	TXHLMVJZSNZNRA-UTUOFQBUSA-N	0	1	242.319	0.435	20	30		BCEDMN
CC[C@H](CC#N)N[C@@H](C)CN1CCOCC1	ZINC000049504631	343111316	/nfs/dbraw/zinc/11/13/16/343111316.db2.gz	AHCKYCJUFMBKKA-NWDGAFQWSA-N	0	1	225.336	0.989	20	30		BCEDMN
N#CC1(CN2CCN(Cc3nnc[nH]3)CC2)CC1	ZINC000602868312	349798925	/nfs/dbraw/zinc/79/89/25/349798925.db2.gz	WKLAUUMHKXPUFG-UHFFFAOYSA-N	0	1	246.318	0.226	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](COC)OC	ZINC000234039360	343125829	/nfs/dbraw/zinc/12/58/29/343125829.db2.gz	LXUURWVZFGKKAB-ZJUUUORDSA-N	0	1	200.282	0.930	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](COC)OC	ZINC000234039761	343126156	/nfs/dbraw/zinc/12/61/56/343126156.db2.gz	LXUURWVZFGKKAB-NXEZZACHSA-N	0	1	200.282	0.930	20	30		BCEDMN
N#CCCCC[NH+]1CCN(Cc2nc[nH]n2)CC1	ZINC000602866390	349798080	/nfs/dbraw/zinc/79/80/80/349798080.db2.gz	PPRVQTMLPGDAJB-UHFFFAOYSA-N	0	1	248.334	0.616	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1cn[nH]c1	ZINC000274136946	166182798	/nfs/dbraw/zinc/18/27/98/166182798.db2.gz	WTNBYJZJWDQSDG-RKDXNWHRSA-N	0	1	220.276	0.198	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCSCC1	ZINC000089983853	187243362	/nfs/dbraw/zinc/24/33/62/187243362.db2.gz	QIALXNRUQZKSRB-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
CC1CC(C#N)(C(=O)NCCc2nc[nH]n2)C1	ZINC000156975278	343199427	/nfs/dbraw/zinc/19/94/27/343199427.db2.gz	UFWLJTOMWXOEHA-UHFFFAOYSA-N	0	1	233.275	0.403	20	30		BCEDMN
C=CCNC(=O)CN1CC(C)(C)CC[C@@H]1CO	ZINC000621378299	343381293	/nfs/dbraw/zinc/38/12/93/343381293.db2.gz	SWPLRLXANPEUTK-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
CC(=O)N1CC[C@H](NCc2ccc(C#N)o2)C1	ZINC000344663914	343439710	/nfs/dbraw/zinc/43/97/10/343439710.db2.gz	BOQJXSFTTBBWQU-JTQLQIEISA-N	0	1	233.271	0.862	20	30		BCEDMN
CCC[C@H](NC(=O)CC1(C#N)CC1)c1nn[nH]n1	ZINC000590294993	346939090	/nfs/dbraw/zinc/93/90/90/346939090.db2.gz	BZIGFRKCIWWITE-QMMMGPOBSA-N	0	1	248.290	0.851	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc(C(C)(C)NC)nn1	ZINC000641084913	362207305	/nfs/dbraw/zinc/20/73/05/362207305.db2.gz	VPLZAAHEDCPHCZ-SECBINFHSA-N	0	1	224.308	0.842	20	30		BCEDMN
CC#CCN1CCc2n[nH]c(=O)cc2C1	ZINC000335858186	136356321	/nfs/dbraw/zinc/35/63/21/136356321.db2.gz	HSNFEXDEWYOOPB-UHFFFAOYSA-N	0	1	203.245	0.564	20	30		BCEDMN
O=C(N[C@H]1CCc2ncnn2C1)N1CCC1	ZINC000329426922	136365631	/nfs/dbraw/zinc/36/56/31/136365631.db2.gz	JHSHGZRKDHGAJI-QMMMGPOBSA-N	0	1	221.264	0.213	20	30		BCEDMN
CC(C)[N@H+]1CC[C@H](Nc2ncncc2C#N)C1	ZINC000389216722	343520223	/nfs/dbraw/zinc/52/02/23/343520223.db2.gz	DCRKXGOCHMZYKG-NSHDSACASA-N	0	1	231.303	0.665	20	30		BCEDMN
C=CCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000634695306	343622937	/nfs/dbraw/zinc/62/29/37/343622937.db2.gz	SDWXPRVRCRKOMM-JQWIXIFHSA-N	0	1	243.303	0.753	20	30		BCEDMN
COC1(CNC[C@@H](C)C#N)CCOCC1	ZINC000379949251	343659671	/nfs/dbraw/zinc/65/96/71/343659671.db2.gz	SHQOEGMEZJFRLK-JTQLQIEISA-N	0	1	212.293	0.931	20	30		BCEDMN
CN(CCC(=O)NC(N)=O)[C@@H]1CCC[C@@H]1C#N	ZINC000602976975	349842507	/nfs/dbraw/zinc/84/25/07/349842507.db2.gz	VXEGJABSQKJYSE-RKDXNWHRSA-N	0	1	238.291	0.195	20	30		BCEDMN
N#CCCOCC[N@@H+]1CCC[C@H](O)CC1	ZINC000339786977	343702993	/nfs/dbraw/zinc/70/29/93/343702993.db2.gz	JDHXMDYNIFRWJA-NSHDSACASA-N	0	1	212.293	0.763	20	30		BCEDMN
CN(C[C@H](O)Cn1cccn1)[C@H]1CCC[C@@H]1C#N	ZINC000602975992	349839990	/nfs/dbraw/zinc/83/99/90/349839990.db2.gz	JNDGSFLCPQWPQF-AGIUHOORSA-N	0	1	248.330	0.868	20	30		BCEDMN
N#Cc1cccc(NC(=O)[C@H]2CNCCO2)c1	ZINC000043712560	343737677	/nfs/dbraw/zinc/73/76/77/343737677.db2.gz	HTIOBIZXZPXLOO-LLVKDONJSA-N	0	1	231.255	0.485	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@H]1CCC	ZINC000059909054	343714144	/nfs/dbraw/zinc/71/41/44/343714144.db2.gz	GZRDGJUHBGMDBT-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
Cc1nc([C@@H](C)N2CCN(CCC#N)CC2)n[nH]1	ZINC000603016519	349856989	/nfs/dbraw/zinc/85/69/89/349856989.db2.gz	HHNUIZKHJLGQGZ-SNVBAGLBSA-N	0	1	248.334	0.705	20	30		BCEDMN
C[C@H](NC(=O)NCCN1CCC1)[C@@H]1CCCO1	ZINC000328636762	537835974	/nfs/dbraw/zinc/83/59/74/537835974.db2.gz	AKYCABCZBBYSQN-QWRGUYRKSA-N	0	1	241.335	0.763	20	30		BCEDMN
C=CCCn1cc(Cn2cc(CNC)nn2)nn1	ZINC000641205947	362269802	/nfs/dbraw/zinc/26/98/02/362269802.db2.gz	IOZAKZVRRKEYSD-UHFFFAOYSA-N	0	1	247.306	0.213	20	30		BCEDMN
C=CCC[C@@H](O)Cn1cc([C@H](C)NC)nn1	ZINC000641212740	362274901	/nfs/dbraw/zinc/27/49/01/362274901.db2.gz	PVLKLISGAKCYEW-VHSXEESVSA-N	0	1	224.308	0.886	20	30		BCEDMN
C=CCC[C@H](O)Cn1cc([C@@H](C)NC)nn1	ZINC000641212741	362275639	/nfs/dbraw/zinc/27/56/39/362275639.db2.gz	PVLKLISGAKCYEW-ZJUUUORDSA-N	0	1	224.308	0.886	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H]1CCCNC1=O	ZINC000572778172	323068349	/nfs/dbraw/zinc/06/83/49/323068349.db2.gz	ABTFCSFJCDYUKF-VHSXEESVSA-N	0	1	209.293	0.794	20	30		BCEDMN
C=CCCC(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000106819786	347035112	/nfs/dbraw/zinc/03/51/12/347035112.db2.gz	HPAXAAPRXKHRMV-LBPRGKRZSA-N	0	1	239.363	0.705	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCCN1CC[C@@H](O)C1	ZINC000600530541	344258722	/nfs/dbraw/zinc/25/87/22/344258722.db2.gz	CTJUIMNPOOFUBZ-ZYHUDNBSSA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CC1(C[C@@H](O)CNCc2cc[nH]n2)CC1	ZINC000600719391	344362451	/nfs/dbraw/zinc/36/24/51/344362451.db2.gz	SKDJSPILYXTFSV-SNVBAGLBSA-N	0	1	220.276	0.554	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)c1cc(C)nn1C	ZINC000294032147	344309571	/nfs/dbraw/zinc/30/95/71/344309571.db2.gz	RNRLEECWPSNGEA-UHFFFAOYSA-N	0	1	248.330	0.413	20	30		BCEDMN
C=C(C)CN(CC)CCNS(C)(=O)=O	ZINC000107367584	347050402	/nfs/dbraw/zinc/05/04/02/347050402.db2.gz	XRFXQWMALSBBBL-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
CS(=O)(=O)CCCNCc1ccc(C#N)o1	ZINC000135484399	344473554	/nfs/dbraw/zinc/47/35/54/344473554.db2.gz	BXKORHSXLKLFLH-UHFFFAOYSA-N	0	1	242.300	0.676	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@H]1CCCN(C)C1	ZINC000044824038	344551432	/nfs/dbraw/zinc/55/14/32/344551432.db2.gz	JEPNYOCMAZLNOY-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CC1CCN(CC(=O)NC(=O)NCC)CC1	ZINC000111258798	344585819	/nfs/dbraw/zinc/58/58/19/344585819.db2.gz	XVZHNRLBVNFSMU-UHFFFAOYSA-N	0	1	239.319	0.730	20	30		BCEDMN
C=CCCCN1CCO[C@@H](CC(N)=O)C1	ZINC000626080557	344726181	/nfs/dbraw/zinc/72/61/81/344726181.db2.gz	KVTUWFPBPYSONM-JTQLQIEISA-N	0	1	212.293	0.529	20	30		BCEDMN
CS(=O)(=O)N[C@@H]1CCN(CCCCC#N)C1	ZINC000116890225	344737181	/nfs/dbraw/zinc/73/71/81/344737181.db2.gz	WYOLBBFQCAARIO-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC(O)(CC)CC1	ZINC000075859285	344786155	/nfs/dbraw/zinc/78/61/55/344786155.db2.gz	UYQADAUWVBZOTP-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC(=O)N[C@H]1CCC[N@@H+](CCCC#N)C1	ZINC000076708930	344808645	/nfs/dbraw/zinc/80/86/45/344808645.db2.gz	YNVNBONIFNOXIN-NSHDSACASA-N	0	1	209.293	0.891	20	30		BCEDMN
CC(=O)N[C@H]1CCCN(CCCC#N)C1	ZINC000076708930	344808647	/nfs/dbraw/zinc/80/86/47/344808647.db2.gz	YNVNBONIFNOXIN-NSHDSACASA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCOC	ZINC000077408839	344823770	/nfs/dbraw/zinc/82/37/70/344823770.db2.gz	DBNAAYOCPRICMF-VIFPVBQESA-N	0	1	200.282	0.255	20	30		BCEDMN
C=CCOCCCC(=O)N1CCN[C@@H](C)C1	ZINC000237619329	344867412	/nfs/dbraw/zinc/86/74/12/344867412.db2.gz	RISCHAISSUIUFN-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CC(C)(C#N)CCCN1CCO[C@@H](C(N)=O)C1	ZINC000174837047	534982360	/nfs/dbraw/zinc/98/23/60/534982360.db2.gz	RCVTZBXKTNLWNN-SNVBAGLBSA-N	0	1	239.319	0.502	20	30		BCEDMN
CCc1cc(C(=O)N(CC)CC#N)n[nH]1	ZINC000124156177	345029742	/nfs/dbraw/zinc/02/97/42/345029742.db2.gz	SVWSMWLFBUTJHC-UHFFFAOYSA-N	0	1	206.249	0.958	20	30		BCEDMN
CC#CCCN1CCCN(S(C)(=O)=O)CC1	ZINC000155062692	345065292	/nfs/dbraw/zinc/06/52/92/345065292.db2.gz	OMMQNFMDXAWXPT-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc2oc(=O)n(C)c2c1	ZINC000634987325	345169663	/nfs/dbraw/zinc/16/96/63/345169663.db2.gz	SBAYJGNQKYEWKI-SNVBAGLBSA-N	0	1	248.282	0.768	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](C(=O)OC)C1	ZINC000225716355	345173619	/nfs/dbraw/zinc/17/36/19/345173619.db2.gz	DQNQWOMLQFRTOR-NXEZZACHSA-N	0	1	240.303	0.172	20	30		BCEDMN
N#CCSCCCN1CCn2nncc2C1	ZINC000577073609	365804962	/nfs/dbraw/zinc/80/49/62/365804962.db2.gz	PXWXQGWWTGBMIK-UHFFFAOYSA-N	0	1	237.332	0.741	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@H](C)N(C)C	ZINC000678801618	488285003	/nfs/dbraw/zinc/28/50/03/488285003.db2.gz	XZYDIFMDYZREGD-VHSXEESVSA-N	0	1	214.309	0.237	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@H]1CCCCN1C	ZINC000678800090	488285099	/nfs/dbraw/zinc/28/50/99/488285099.db2.gz	AUFOADIZAWXMGU-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@]1(CNC(=O)NCCN2CCC2)CCOC1	ZINC000328695022	537895759	/nfs/dbraw/zinc/89/57/59/537895759.db2.gz	GGWUYFMFZOKJJP-GFCCVEGCSA-N	0	1	241.335	0.622	20	30		BCEDMN
C[C@H](O)CN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000159391715	345423487	/nfs/dbraw/zinc/42/34/87/345423487.db2.gz	PIOPTFFZRZSARU-UWVGGRQHSA-N	0	1	227.308	0.060	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000136260666	345493972	/nfs/dbraw/zinc/49/39/72/345493972.db2.gz	HWDRHVLBWCBFPK-NSHDSACASA-N	0	1	235.291	0.793	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC000142361843	345705119	/nfs/dbraw/zinc/70/51/19/345705119.db2.gz	DUBHNGDHIYLCBA-YUMQZZPRSA-N	0	1	226.276	0.992	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](CO)C2)nc1	ZINC000585719795	345981825	/nfs/dbraw/zinc/98/18/25/345981825.db2.gz	RUBMZEODZXDLOI-LLVKDONJSA-N	0	1	217.272	0.767	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CCc1c[nH]nn1	ZINC000601000376	345983002	/nfs/dbraw/zinc/98/30/02/345983002.db2.gz	SSUOEFUKDJBNHC-VIFPVBQESA-N	0	1	235.291	0.745	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CCc1cnn[nH]1	ZINC000601000376	345983005	/nfs/dbraw/zinc/98/30/05/345983005.db2.gz	SSUOEFUKDJBNHC-VIFPVBQESA-N	0	1	235.291	0.745	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)Cc1nnc[nH]1	ZINC000601025251	345999806	/nfs/dbraw/zinc/99/98/06/345999806.db2.gz	AGPUSWGWPYLUGG-SECBINFHSA-N	0	1	207.237	0.156	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)Cc1ncn[nH]1	ZINC000601037085	346003083	/nfs/dbraw/zinc/00/30/83/346003083.db2.gz	NILXEJHXMKCFCZ-UHFFFAOYSA-N	0	1	233.275	0.499	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@@H](C)N(C)C	ZINC000635767762	346057875	/nfs/dbraw/zinc/05/78/75/346057875.db2.gz	XZYDIFMDYZREGD-NXEZZACHSA-N	0	1	214.309	0.237	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cccnc3C#N)C[C@H]21	ZINC000329704731	187364168	/nfs/dbraw/zinc/36/41/68/187364168.db2.gz	IXLASTHSJXSDST-OLZOCXBDSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cccnc3C#N)C[C@@H]21	ZINC000329704733	187364271	/nfs/dbraw/zinc/36/42/71/187364271.db2.gz	IXLASTHSJXSDST-STQMWFEESA-N	0	1	244.298	0.472	20	30		BCEDMN
N#CCNC(=O)CN1CCC2(CCC2)CC1	ZINC000586783119	346103876	/nfs/dbraw/zinc/10/38/76/346103876.db2.gz	ZXTCROAIGQZVLF-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
CC#CCN(C)C(=O)CCCc1nn[nH]n1	ZINC000635970259	346127675	/nfs/dbraw/zinc/12/76/75/346127675.db2.gz	LUQIQSHARIIHFG-UHFFFAOYSA-N	0	1	221.264	0.004	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@@H](C)N(C)C	ZINC000636005093	346147359	/nfs/dbraw/zinc/14/73/59/346147359.db2.gz	BOUHOWATNIIQQS-NXEZZACHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@H](O)C(=O)N(C)Cc1cn[nH]c1C	ZINC000636071027	346312206	/nfs/dbraw/zinc/31/22/06/346312206.db2.gz	YDVMFSVBQNZEGX-VIFPVBQESA-N	0	1	209.249	0.223	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1conc1C	ZINC000641768029	362699412	/nfs/dbraw/zinc/69/94/12/362699412.db2.gz	URGKEUYFSXBMPG-NSHDSACASA-N	0	1	208.261	0.847	20	30		BCEDMN
C=CCN(CCC#N)C(=O)[C@H](C)N(C)C	ZINC000590409179	347091588	/nfs/dbraw/zinc/09/15/88/347091588.db2.gz	GEYQMSWNBRANGK-JTQLQIEISA-N	0	1	209.293	0.865	20	30		BCEDMN
CC#CCN1CCC[C@@H](CS(=O)(=O)NC)C1	ZINC000626167017	346454335	/nfs/dbraw/zinc/45/43/35/346454335.db2.gz	LNKZPBDDPKKGGI-LLVKDONJSA-N	0	1	244.360	0.271	20	30		BCEDMN
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2nnc[nH]2)C1	ZINC000601189308	346611466	/nfs/dbraw/zinc/61/14/66/346611466.db2.gz	HMQOZSQAOCPSRB-BXKDBHETSA-N	0	1	247.302	0.936	20	30		BCEDMN
N#Cc1nccnc1N1CC(N2CCCC2)C1	ZINC000601193789	346612238	/nfs/dbraw/zinc/61/22/38/346612238.db2.gz	PSQQRNJGMUSXLL-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
N#C[C@@H](NC(=O)Cc1nnc[nH]1)C1CCCCC1	ZINC000601278063	347138259	/nfs/dbraw/zinc/13/82/59/347138259.db2.gz	OHNJTTLGIDVINZ-SNVBAGLBSA-N	0	1	247.302	0.936	20	30		BCEDMN
C#CCNC(=O)[C@H]1Cc2ccccc2CN1	ZINC000019480800	347229866	/nfs/dbraw/zinc/22/98/66/347229866.db2.gz	PHIVZEMOONPISV-GFCCVEGCSA-N	0	1	214.268	0.450	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000601431782	347353143	/nfs/dbraw/zinc/35/31/43/347353143.db2.gz	DPGZQJAZLDMOSZ-NSHDSACASA-N	0	1	233.275	0.499	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@](C)(COC)C1	ZINC000451195355	323142817	/nfs/dbraw/zinc/14/28/17/323142817.db2.gz	UKXXMWOCWIMTJL-GFCCVEGCSA-N	0	1	226.320	0.647	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC#N)CCS1	ZINC000192179581	347369008	/nfs/dbraw/zinc/36/90/08/347369008.db2.gz	OGKBIZOHYKGXOY-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N(C)Cc1cnc[nH]1	ZINC000616921877	347451361	/nfs/dbraw/zinc/45/13/61/347451361.db2.gz	GYRMADHXKSWWLS-JTQLQIEISA-N	0	1	209.249	0.305	20	30		BCEDMN
C[C@@H]1C[C@@]1(C#N)C(=O)NCCN1CC=CCC1	ZINC000590751169	347504062	/nfs/dbraw/zinc/50/40/62/347504062.db2.gz	NXDVGHUEMHUALU-YPMHNXCESA-N	0	1	233.315	0.914	20	30		BCEDMN
C=CCCOCC(=O)Nc1nnc(C)[nH]1	ZINC000590833597	347572303	/nfs/dbraw/zinc/57/23/03/347572303.db2.gz	WZGRXGYITOKRAE-UHFFFAOYSA-N	0	1	210.237	0.644	20	30		BCEDMN
C=CCCOCC(=O)Nc1nc(C)n[nH]1	ZINC000590833597	347572306	/nfs/dbraw/zinc/57/23/06/347572306.db2.gz	WZGRXGYITOKRAE-UHFFFAOYSA-N	0	1	210.237	0.644	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCCCC1	ZINC000024223416	347604844	/nfs/dbraw/zinc/60/48/44/347604844.db2.gz	FTHVYBVWGYDWQP-SNVBAGLBSA-N	0	1	239.319	0.873	20	30		BCEDMN
C=CCCN1CCN(C(=O)[C@H](C)O)CC1	ZINC000270877584	166265707	/nfs/dbraw/zinc/26/57/07/166265707.db2.gz	MUDSUSPNWZPESK-JTQLQIEISA-N	0	1	212.293	0.088	20	30		BCEDMN
N#CCCNCCc1cccc(C(N)=O)c1	ZINC000591735504	347694547	/nfs/dbraw/zinc/69/45/47/347694547.db2.gz	QGPQYIHMUZJDPI-UHFFFAOYSA-N	0	1	217.272	0.831	20	30		BCEDMN
N#Cc1cnccc1CN1CCc2n[nH]nc2C1	ZINC000592114830	347736135	/nfs/dbraw/zinc/73/61/35/347736135.db2.gz	YWLWEKDRYKZJOV-UHFFFAOYSA-N	0	1	240.270	0.630	20	30		BCEDMN
Cn1cc(CCN2CC[C@@](O)(CC#N)C2)cn1	ZINC000592150740	347741451	/nfs/dbraw/zinc/74/14/51/347741451.db2.gz	IFNPTYKAPCPKRI-LBPRGKRZSA-N	0	1	234.303	0.313	20	30		BCEDMN
Cc1cc(C)n(CCN2CC[C@@](O)(CC#N)C2)n1	ZINC000592151791	347742968	/nfs/dbraw/zinc/74/29/68/347742968.db2.gz	RGXPBDFJHUCFBE-ZDUSSCGKSA-N	0	1	248.330	0.850	20	30		BCEDMN
CC(C)c1nc(CN2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000592153016	347743534	/nfs/dbraw/zinc/74/35/34/347743534.db2.gz	HQDIIOFNFRPYHN-LBPRGKRZSA-N	0	1	249.318	0.779	20	30		BCEDMN
CCC#C[C@H](C)N1C[C@H](C(=O)OC)C[C@H](O)C1	ZINC000592200922	347753092	/nfs/dbraw/zinc/75/30/92/347753092.db2.gz	WUYOCERLPSMCKC-TUAOUCFPSA-N	0	1	239.315	0.644	20	30		BCEDMN
N#CC1(CCn2nnnc2CN)CCCCC1	ZINC000592172943	347758588	/nfs/dbraw/zinc/75/85/88/347758588.db2.gz	MMRDREHZXYJODM-UHFFFAOYSA-N	0	1	234.307	0.996	20	30		BCEDMN
C=CCCC(=O)N1CCCNC[C@@H]1C(=O)OC	ZINC000592964954	347835549	/nfs/dbraw/zinc/83/55/49/347835549.db2.gz	UOOJVXQAVFFFNU-SNVBAGLBSA-N	0	1	240.303	0.316	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@@H](C#N)CC)c1nn[nH]n1	ZINC000593510956	347902278	/nfs/dbraw/zinc/90/22/78/347902278.db2.gz	ZWNVNRJHCCRMGQ-HTQZYQBOSA-N	0	1	236.279	0.707	20	30		BCEDMN
N#Cc1ccc(CN[C@H](CO)CCF)o1	ZINC000593689272	347927423	/nfs/dbraw/zinc/92/74/23/347927423.db2.gz	NLDMJGKFQHBHKA-QMMMGPOBSA-N	0	1	212.224	0.961	20	30		BCEDMN
N#Cc1cccc(N2CC(N3CC[C@@H](O)C3)C2)n1	ZINC000593503374	347907173	/nfs/dbraw/zinc/90/71/73/347907173.db2.gz	IWRZCYUEHUXNFQ-GFCCVEGCSA-N	0	1	244.298	0.208	20	30		BCEDMN
N#CC1(CNC(=O)c2ncn[nH]2)CCCC1	ZINC000593775605	347939932	/nfs/dbraw/zinc/93/99/32/347939932.db2.gz	PTMICBGOOSJOKY-UHFFFAOYSA-N	0	1	219.248	0.618	20	30		BCEDMN
N#CC1(CNC(=O)c2nc[nH]n2)CCCC1	ZINC000593775605	347939934	/nfs/dbraw/zinc/93/99/34/347939934.db2.gz	PTMICBGOOSJOKY-UHFFFAOYSA-N	0	1	219.248	0.618	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000593540584	347909428	/nfs/dbraw/zinc/90/94/28/347909428.db2.gz	CKFADOIZPPIGEQ-BDAKNGLRSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000593547071	347910190	/nfs/dbraw/zinc/91/01/90/347910190.db2.gz	RRWBDIKMVZACBS-IUCAKERBSA-N	0	1	248.290	0.455	20	30		BCEDMN
CN(C)CC(=O)NCC1(C#N)CCCC1	ZINC000593777933	347940552	/nfs/dbraw/zinc/94/05/52/347940552.db2.gz	GTGBIBFMNRHROL-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@H]1CN(Cc2ccc(C#N)cn2)C[C@H]1O	ZINC000593970617	347974738	/nfs/dbraw/zinc/97/47/38/347974738.db2.gz	YUDFWACNLXQQSP-JOYOIKCWSA-N	0	1	217.272	0.766	20	30		BCEDMN
C[C@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1O	ZINC000593970616	347974917	/nfs/dbraw/zinc/97/49/17/347974917.db2.gz	YUDFWACNLXQQSP-CABZTGNLSA-N	0	1	217.272	0.766	20	30		BCEDMN
C=CCN(CC=C)C(=O)C[N@@H+](C)CCC(=O)[O-]	ZINC000037933002	347999133	/nfs/dbraw/zinc/99/91/33/347999133.db2.gz	JWJWVNARISSDKI-UHFFFAOYSA-N	0	1	240.303	0.594	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CC[C@](F)(C#N)C2)C1	ZINC000594342877	348036582	/nfs/dbraw/zinc/03/65/82/348036582.db2.gz	MKXUKAPMRAZNKY-JQWIXIFHSA-N	0	1	239.294	0.792	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)CCCCC#N	ZINC000594426563	348052319	/nfs/dbraw/zinc/05/23/19/348052319.db2.gz	OXCOMKLTCBYPKB-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
CSC[C@H](O)CN1CC(CC#N)C1	ZINC000594715714	348105590	/nfs/dbraw/zinc/10/55/90/348105590.db2.gz	ANNNDYKNPNIEID-SECBINFHSA-N	0	1	200.307	0.556	20	30		BCEDMN
COC[C@@H](C)OC[C@H](O)CN1CC(CC#N)C1	ZINC000594715993	348105632	/nfs/dbraw/zinc/10/56/32/348105632.db2.gz	FRLPEYRUMFJIHM-ZYHUDNBSSA-N	0	1	242.319	0.244	20	30		BCEDMN
C[C@H](CC#N)NS(=O)(=O)c1ccccc1O	ZINC000594751854	348111739	/nfs/dbraw/zinc/11/17/39/348111739.db2.gz	DZWARZKKFMKAMI-MRVPVSSYSA-N	0	1	240.284	0.973	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2CCNC2=O)s1	ZINC000594962815	348152360	/nfs/dbraw/zinc/15/23/60/348152360.db2.gz	KQCXSDWAIPQAAY-VIFPVBQESA-N	0	1	221.285	0.598	20	30		BCEDMN
CNC(=O)CN(C)CCc1ccc(C#N)cc1	ZINC000595299832	348217882	/nfs/dbraw/zinc/21/78/82/348217882.db2.gz	ZGMUYXDBEVMIBF-UHFFFAOYSA-N	0	1	231.299	0.779	20	30		BCEDMN
C[C@@H](C#N)CN(C[C@@H]1CNC(=O)C1)C1CC1	ZINC000595390024	348242976	/nfs/dbraw/zinc/24/29/76/348242976.db2.gz	SLORVCBXWFHFSE-UWVGGRQHSA-N	0	1	221.304	0.747	20	30		BCEDMN
C[C@@H](C#N)CN(CCc1c[nH]nn1)C1CC1	ZINC000595390404	348244079	/nfs/dbraw/zinc/24/40/79/348244079.db2.gz	VXNGPJJNPWUGDC-VIFPVBQESA-N	0	1	219.292	0.971	20	30		BCEDMN
COCCN(CCC#N)CCc1c[nH]nn1	ZINC000595348618	348236349	/nfs/dbraw/zinc/23/63/49/348236349.db2.gz	UNKGXQIETDRSJV-UHFFFAOYSA-N	0	1	223.280	0.209	20	30		BCEDMN
N#CC[C@H]1CCCN([C@@H]2CCCNC2=O)C1	ZINC000595621441	348290734	/nfs/dbraw/zinc/29/07/34/348290734.db2.gz	VARJGIKMWZYKJM-GHMZBOCLSA-N	0	1	221.304	0.891	20	30		BCEDMN
CCNC(=O)CCN1CC[C@](C)(C#N)C1	ZINC000595839770	348373867	/nfs/dbraw/zinc/37/38/67/348373867.db2.gz	KXWPNOTXABHFQL-LLVKDONJSA-N	0	1	209.293	0.748	20	30		BCEDMN
CN(CCC#N)C(=O)CCN1CC[C@@](C)(C#N)C1	ZINC000595845056	348354295	/nfs/dbraw/zinc/35/42/95/348354295.db2.gz	XVGJUPIDHPDEJC-ZDUSSCGKSA-N	0	1	248.330	0.984	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000669012576	490166173	/nfs/dbraw/zinc/16/61/73/490166173.db2.gz	GIOAAFWYVLRNLV-QWRGUYRKSA-N	0	1	226.320	0.332	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1cc(C#N)cnn1	ZINC000596247442	348486912	/nfs/dbraw/zinc/48/69/12/348486912.db2.gz	OZDVWUYVRDBREB-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1CN(c2cc(C#N)cnn2)[C@@H](C)CN1C	ZINC000596177124	348462544	/nfs/dbraw/zinc/46/25/44/348462544.db2.gz	DZFREFOFKXKWHA-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
Cc1cc(C#N)nc(N(C)CC2CN(C)C2)n1	ZINC000596454313	348551977	/nfs/dbraw/zinc/55/19/77/348551977.db2.gz	SXOVGXBWYFQZCR-UHFFFAOYSA-N	0	1	231.303	0.655	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N(C)Cc1cnc[nH]1	ZINC000596551412	348587324	/nfs/dbraw/zinc/58/73/24/348587324.db2.gz	PEYNNXXVJUSJKN-QMMMGPOBSA-N	0	1	221.264	0.711	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H](C)C#N	ZINC000597084379	348655506	/nfs/dbraw/zinc/65/55/06/348655506.db2.gz	YZEUUKFVWKPSGB-AXTSPUMRSA-N	0	1	210.277	0.933	20	30		BCEDMN
C=CCC[C@H](O)CN1CCC[C@H]1C(=O)OC	ZINC000268574021	166304504	/nfs/dbraw/zinc/30/45/04/166304504.db2.gz	RVDYBVFJBBLASR-QWRGUYRKSA-N	0	1	227.304	0.951	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)CCCF)CC1	ZINC000597163804	348667051	/nfs/dbraw/zinc/66/70/51/348667051.db2.gz	AJIXFTRITMEXKC-UHFFFAOYSA-N	0	1	227.283	0.840	20	30		BCEDMN
C[C@@H](CO)N(C)Cc1ccnc(C#N)c1	ZINC000159145568	348632130	/nfs/dbraw/zinc/63/21/30/348632130.db2.gz	XIPWABKLPFZKQK-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
CCN(CC#N)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000596921902	348634525	/nfs/dbraw/zinc/63/45/25/348634525.db2.gz	YADIFVFAYAJDLP-VIFPVBQESA-N	0	1	232.287	0.887	20	30		BCEDMN
Cc1nc(CC(=O)N[C@H](C#N)C(C)(C)C)n[nH]1	ZINC000597350028	348716232	/nfs/dbraw/zinc/71/62/32/348716232.db2.gz	FPHSRSLDBVQQRZ-MRVPVSSYSA-N	0	1	235.291	0.710	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000597200891	348675053	/nfs/dbraw/zinc/67/50/53/348675053.db2.gz	JYFODANGBWFUGR-DTWKUNHWSA-N	0	1	232.287	0.790	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597189523	348685784	/nfs/dbraw/zinc/68/57/84/348685784.db2.gz	WNXDUYMERGMWMY-WCBMZHEXSA-N	0	1	247.302	0.889	20	30		BCEDMN
CCc1nc(CNC(=O)[C@H](C)CC#N)n[nH]1	ZINC000597704598	348786171	/nfs/dbraw/zinc/78/61/71/348786171.db2.gz	WIOFORDQVXVERR-SSDOTTSWSA-N	0	1	221.264	0.533	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597489469	348740185	/nfs/dbraw/zinc/74/01/85/348740185.db2.gz	LBHLOUNEYFIWBR-QMMMGPOBSA-N	0	1	247.302	0.891	20	30		BCEDMN
N#CCCCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597491086	348750320	/nfs/dbraw/zinc/75/03/20/348750320.db2.gz	FUWCZKQBLAOBEC-QMMMGPOBSA-N	0	1	233.275	0.645	20	30		BCEDMN
N#CCCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597491085	348750466	/nfs/dbraw/zinc/75/04/66/348750466.db2.gz	FUWCZKQBLAOBEC-MRVPVSSYSA-N	0	1	233.275	0.645	20	30		BCEDMN
CN(C)C1(C(=O)N2CC[C@](F)(C#N)C2)CC1	ZINC000597548006	348755360	/nfs/dbraw/zinc/75/53/60/348755360.db2.gz	MXSVPKZPIWPRBN-JTQLQIEISA-N	0	1	225.267	0.545	20	30		BCEDMN
C[C@H](CC#N)C(=O)NCCN1CCCOCC1	ZINC000597539856	348758426	/nfs/dbraw/zinc/75/84/26/348758426.db2.gz	HNMCBPSXOXGJDO-LLVKDONJSA-N	0	1	239.319	0.375	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)CC1(C#N)CC1)C2	ZINC000597568842	348761458	/nfs/dbraw/zinc/76/14/58/348761458.db2.gz	QQRAYETUHPYMAQ-UHFFFAOYSA-N	0	1	233.315	0.844	20	30		BCEDMN
C[C@H](C#N)N(C(=O)c1cnc[nH]1)C1CC1	ZINC000598128795	348894427	/nfs/dbraw/zinc/89/44/27/348894427.db2.gz	POISLRTUZBCGAF-SSDOTTSWSA-N	0	1	204.233	0.926	20	30		BCEDMN
Cn1ccnc1CNC[C@@H](O)CC(C)(C)C#N	ZINC000598719086	349027015	/nfs/dbraw/zinc/02/70/15/349027015.db2.gz	GBLGMDZKDARYID-JTQLQIEISA-N	0	1	236.319	0.810	20	30		BCEDMN
N#Cc1ccncc1NCCN1CC[C@H](O)C1	ZINC000599199840	349117273	/nfs/dbraw/zinc/11/72/73/349117273.db2.gz	SGNIZBWEHGAFQX-NSHDSACASA-N	0	1	232.287	0.432	20	30		BCEDMN
N#CC1(C[C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000599303345	349142305	/nfs/dbraw/zinc/14/23/05/349142305.db2.gz	BJFHWXQEAJUZAZ-SDDRHHMPSA-N	0	1	236.315	0.904	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)CC1(O)CCC1	ZINC000599437362	349176917	/nfs/dbraw/zinc/17/69/17/349176917.db2.gz	OVQOWVDQKGJGFN-GHMZBOCLSA-N	0	1	226.320	0.934	20	30		BCEDMN
C[C@H]1C[C@@H]1CN1CCN(C(=O)CC#N)CC1	ZINC000599434270	349174104	/nfs/dbraw/zinc/17/41/04/349174104.db2.gz	WPPMIFMJRLWSRU-WDEREUQCSA-N	0	1	221.304	0.700	20	30		BCEDMN
CCC(O)(CC)CN(C)CC(=O)NCC#N	ZINC000599673406	349240919	/nfs/dbraw/zinc/24/09/19/349240919.db2.gz	MYSKSBGDSVKJIL-UHFFFAOYSA-N	0	1	227.308	0.109	20	30		BCEDMN
CC1(C)CN(C(=O)c2ccc(C#N)nc2)CCN1	ZINC000357342047	349333370	/nfs/dbraw/zinc/33/33/70/349333370.db2.gz	LPBMFAHBDUPGON-UHFFFAOYSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)[C@H](C)N(C)C)C(=O)OC	ZINC000601783043	349342404	/nfs/dbraw/zinc/34/24/04/349342404.db2.gz	ULKQRESVONXMFR-VHSXEESVSA-N	0	1	242.319	0.561	20	30		BCEDMN
CCN(C(=O)CCc1c[nH]nn1)[C@H](C)C#N	ZINC000601672399	349319616	/nfs/dbraw/zinc/31/96/16/349319616.db2.gz	XNZUBSHKAOFQLJ-MRVPVSSYSA-N	0	1	221.264	0.498	20	30		BCEDMN
CCN(C(=O)CCc1cnn[nH]1)[C@H](C)C#N	ZINC000601672399	349319618	/nfs/dbraw/zinc/31/96/18/349319618.db2.gz	XNZUBSHKAOFQLJ-MRVPVSSYSA-N	0	1	221.264	0.498	20	30		BCEDMN
COCCc1cc(=O)n([C@@H](C)CC#N)[nH]1	ZINC000601935028	349388812	/nfs/dbraw/zinc/38/88/12/349388812.db2.gz	GOVZKNKKBNMYAF-QMMMGPOBSA-N	0	1	209.249	0.913	20	30		BCEDMN
COCCn1[nH]c(C)c(CCC#N)c1=O	ZINC000601940007	349391825	/nfs/dbraw/zinc/39/18/25/349391825.db2.gz	PZQMNJFMKVLEMR-SECBINFHSA-N	0	1	209.249	0.771	20	30		BCEDMN
CC[C@H](O)Cn1[nH]c(C)c(CCC#N)c1=O	ZINC000601946231	349394909	/nfs/dbraw/zinc/39/49/09/349394909.db2.gz	OYLWOWFFMMLIDJ-VHSXEESVSA-N	0	1	223.276	0.895	20	30		BCEDMN
CN(C)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000601807772	349360341	/nfs/dbraw/zinc/36/03/41/349360341.db2.gz	IRLSVXAKKNASAO-ZJUUUORDSA-N	0	1	209.293	0.699	20	30		BCEDMN
CN(C)CC(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000601807768	349360356	/nfs/dbraw/zinc/36/03/56/349360356.db2.gz	IRLSVXAKKNASAO-UWVGGRQHSA-N	0	1	209.293	0.699	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(C[C@H](C)C#N)c1=O	ZINC000601934594	349388116	/nfs/dbraw/zinc/38/81/16/349388116.db2.gz	LGGLDCOXLLQLPF-APPZFPTMSA-N	0	1	237.259	0.543	20	30		BCEDMN
Cc1cc(NC(=O)[C@@H](C)N(C)C)n(CCC#N)n1	ZINC000602080812	349430988	/nfs/dbraw/zinc/43/09/88/349430988.db2.gz	ZAYBRMYDPXKIRH-SNVBAGLBSA-N	0	1	249.318	0.994	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)CCCc1nn[nH]n1	ZINC000602084115	349432994	/nfs/dbraw/zinc/43/29/94/349432994.db2.gz	QFVASOTZMVSABF-QMMMGPOBSA-N	0	1	236.279	0.140	20	30		BCEDMN
COC[C@H](O)CNCc1cccc(F)c1C#N	ZINC000602015652	349417377	/nfs/dbraw/zinc/41/73/77/349417377.db2.gz	FSEJEJDUCRAVIO-SNVBAGLBSA-N	0	1	238.262	0.794	20	30		BCEDMN
CCOC(=O)Cc1cc(=O)n(C[C@H](C)C#N)[nH]1	ZINC000603921035	350053859	/nfs/dbraw/zinc/05/38/59/350053859.db2.gz	MVCPMJRNIJVEGT-MRVPVSSYSA-N	0	1	237.259	0.688	20	30		BCEDMN
Cc1nnc(NC(=O)c2ccc(C#N)nc2)[nH]1	ZINC000115368433	180014993	/nfs/dbraw/zinc/01/49/93/180014993.db2.gz	DKMZPCHPACWFKS-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ccc(C#N)nc2)n1	ZINC000115368433	180014995	/nfs/dbraw/zinc/01/49/95/180014995.db2.gz	DKMZPCHPACWFKS-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
C=CCCN1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000132347610	191031903	/nfs/dbraw/zinc/03/19/03/191031903.db2.gz	RWYKZFXCIWYSPO-LBPRGKRZSA-N	0	1	238.331	0.886	20	30		BCEDMN
C=CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000275104271	166321084	/nfs/dbraw/zinc/32/10/84/166321084.db2.gz	FHTXMFHQYWUGKP-UHFFFAOYSA-N	0	1	224.220	0.884	20	30		BCEDMN
C[C@H]1C[C@@H]1C(=O)NC1(C#N)CCN(C)CC1	ZINC000040221871	350358776	/nfs/dbraw/zinc/35/87/76/350358776.db2.gz	DZOCYAYMVYAYRZ-UWVGGRQHSA-N	0	1	221.304	0.747	20	30		BCEDMN
Cc1cn[nH]c1CN1CCN(C2CC2)[C@H](C#N)C1	ZINC000365623017	350397770	/nfs/dbraw/zinc/39/77/70/350397770.db2.gz	WLSKTDLPBJAZFV-GFCCVEGCSA-N	0	1	245.330	0.890	20	30		BCEDMN
C=C(C)CN(C)CCN1CCCS1(=O)=O	ZINC000336649094	350418183	/nfs/dbraw/zinc/41/81/83/350418183.db2.gz	QHUGUOWAIWVOPU-UHFFFAOYSA-N	0	1	232.349	0.530	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)C[C@@H]1CC	ZINC000563994817	323342082	/nfs/dbraw/zinc/34/20/82/323342082.db2.gz	SQTZCNVQAHVUAP-AAEUAGOBSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](O)C1	ZINC000216460824	350730785	/nfs/dbraw/zinc/73/07/85/350730785.db2.gz	VQEAXYZJNAPEMI-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
CN1CC[C@@H](N2CCC[C@@H](CC#N)C2)C1=O	ZINC000397600238	350957321	/nfs/dbraw/zinc/95/73/21/350957321.db2.gz	LQHASOFCEMALGT-WDEREUQCSA-N	0	1	221.304	0.843	20	30		BCEDMN
Cc1nn(CCc2c[nH]nn2)c(=O)c(C#N)c1C	ZINC000571604029	351082770	/nfs/dbraw/zinc/08/27/70/351082770.db2.gz	ZZBZHVYAUWZLDE-UHFFFAOYSA-N	0	1	244.258	0.093	20	30		BCEDMN
Cc1nn(CCc2cnn[nH]2)c(=O)c(C#N)c1C	ZINC000571604029	351082772	/nfs/dbraw/zinc/08/27/72/351082772.db2.gz	ZZBZHVYAUWZLDE-UHFFFAOYSA-N	0	1	244.258	0.093	20	30		BCEDMN
N#CC1(C(=O)NCc2c[nH]nn2)CCCCC1	ZINC000398415558	351142615	/nfs/dbraw/zinc/14/26/15/351142615.db2.gz	VWCITSGWBRTYBS-UHFFFAOYSA-N	0	1	233.275	0.895	20	30		BCEDMN
N#CCC(=O)Nc1nc(C2CCC2)n[nH]1	ZINC000274806942	351583024	/nfs/dbraw/zinc/58/30/24/351583024.db2.gz	URKLDTMGDIKIQZ-UHFFFAOYSA-N	0	1	205.221	0.924	20	30		BCEDMN
N#CCC(=O)Nc1n[nH]c(C2CCC2)n1	ZINC000274806942	351583026	/nfs/dbraw/zinc/58/30/26/351583026.db2.gz	URKLDTMGDIKIQZ-UHFFFAOYSA-N	0	1	205.221	0.924	20	30		BCEDMN
C=CCNC(=O)[C@H](N)Cc1cccc(OC)c1	ZINC000637870917	351737343	/nfs/dbraw/zinc/73/73/43/351737343.db2.gz	GNARIEPAVFFGGQ-GFCCVEGCSA-N	0	1	234.299	0.867	20	30		BCEDMN
C=CC1CCN(C(=O)[C@@]2(C)CNCCO2)CC1	ZINC000637994937	351872797	/nfs/dbraw/zinc/87/27/97/351872797.db2.gz	YWNJXXNGQMHBQJ-CYBMUJFWSA-N	0	1	238.331	0.790	20	30		BCEDMN
CNC(=O)[C@H]1CN(C[C@H](C)CCC#N)CCO1	ZINC000618887717	352162859	/nfs/dbraw/zinc/16/28/59/352162859.db2.gz	JIIOGAMSKAFGTF-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
C=CC(C)(C)CCNC(=O)C1(O)CNC1	ZINC000638455565	352265903	/nfs/dbraw/zinc/26/59/03/352265903.db2.gz	XZPDHKYOMABEQL-UHFFFAOYSA-N	0	1	212.293	0.039	20	30		BCEDMN
C=CCN(CCC#N)C(=O)c1cnc[nH]1	ZINC000292285723	352312650	/nfs/dbraw/zinc/31/26/50/352312650.db2.gz	HZVVHASFXSKLNJ-UHFFFAOYSA-N	0	1	204.233	0.952	20	30		BCEDMN
N#CCNC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000339925119	191187099	/nfs/dbraw/zinc/18/70/99/191187099.db2.gz	KQYCPMZEOYXWAW-SSDOTTSWSA-N	0	1	204.233	0.469	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@H]1CCCN(C)C1	ZINC000044824037	352436067	/nfs/dbraw/zinc/43/60/67/352436067.db2.gz	JEPNYOCMAZLNOY-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
N#CCCN[C@H](C1CC1)[C@@]1(CO)CCCO1	ZINC000411773184	191210413	/nfs/dbraw/zinc/21/04/13/191210413.db2.gz	SLEWOHQWJIWAAW-NEPJUHHUSA-N	0	1	224.304	0.810	20	30		BCEDMN
N#CCCN[C@H](C1CC1)[C@]1(CO)CCCO1	ZINC000411773190	191210810	/nfs/dbraw/zinc/21/08/10/191210810.db2.gz	SLEWOHQWJIWAAW-VXGBXAGGSA-N	0	1	224.304	0.810	20	30		BCEDMN
CC#CCN1CCN(C(COC)COC)CC1	ZINC000411862310	191221717	/nfs/dbraw/zinc/22/17/17/191221717.db2.gz	OTOFNQIHNMLSIZ-UHFFFAOYSA-N	0	1	240.347	0.289	20	30		BCEDMN
C=CCNC(=O)CNCc1cccc(F)c1N	ZINC000638847304	353027596	/nfs/dbraw/zinc/02/75/96/353027596.db2.gz	OIMYVNCXGMGCJG-UHFFFAOYSA-N	0	1	237.278	0.800	20	30		BCEDMN
C=CCNC(=O)CN1CCC([C@@H](C)O)CC1	ZINC000078643110	166366498	/nfs/dbraw/zinc/36/64/98/166366498.db2.gz	UIDNSKXLARDILH-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CCC2(CN(C)C2)C1	ZINC000398658053	353124826	/nfs/dbraw/zinc/12/48/26/353124826.db2.gz	HCAGHYSFYCFURR-JTQLQIEISA-N	0	1	221.304	0.700	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(CC(C)(C)O)CC1	ZINC000609538119	353166748	/nfs/dbraw/zinc/16/67/48/353166748.db2.gz	HVVUHXPWUXVARC-LBPRGKRZSA-N	0	1	239.363	0.923	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN(CCCC(=O)OC)C1	ZINC000330962104	353204777	/nfs/dbraw/zinc/20/47/77/353204777.db2.gz	YNTGBXPXZPKKMF-SECBINFHSA-N	0	1	243.307	0.147	20	30		BCEDMN
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Cn1cnc(CNC(=O)[C@@H]2CCCN2C2CC2)n1	ZINC000330214214	356185011	/nfs/dbraw/zinc/18/50/11/356185011.db2.gz	GAKPEWRQQUDVOP-JTQLQIEISA-N	0	1	249.318	0.898	20	30		BCEDMN
CC[C@@H](O)CN1CCN(CC2(C#N)CC2)CC1	ZINC000331364574	356199061	/nfs/dbraw/zinc/19/90/61/356199061.db2.gz	BNCSWZJBRQDZGJ-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
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CC[C@](C)(C#N)NC(=O)[C@@H]1CCCN1C	ZINC000609619460	356393380	/nfs/dbraw/zinc/39/33/80/356393380.db2.gz	AHVPNCISGHICLR-GXSJLCMTSA-N	0	1	209.293	0.889	20	30		BCEDMN
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CN1CCN(C)[C@H](CNc2ccncc2C#N)C1	ZINC000399368528	356471099	/nfs/dbraw/zinc/47/10/99/356471099.db2.gz	JVUQOVAEEKHILS-GFCCVEGCSA-N	0	1	245.330	0.033	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C)CC1	ZINC000336236165	134140364	/nfs/dbraw/zinc/14/03/64/134140364.db2.gz	UOKJZORZOMMZOX-NEPJUHHUSA-N	0	1	238.331	0.742	20	30		BCEDMN
CNC(=O)[C@H]1CCCN(CC2(C#N)CC2)C1	ZINC000336359618	134144480	/nfs/dbraw/zinc/14/44/80/134144480.db2.gz	DBODOCUOAKADCH-JTQLQIEISA-N	0	1	221.304	0.748	20	30		BCEDMN
N#CCC1(CN2CCC[C@@H]2C(N)=O)CC1	ZINC000088259266	356646071	/nfs/dbraw/zinc/64/60/71/356646071.db2.gz	GJWWLQYOODWIQM-SECBINFHSA-N	0	1	207.277	0.630	20	30		BCEDMN
CNC(=O)[C@@H]1CCCN1CC1(CC#N)CC1	ZINC000088259378	356647219	/nfs/dbraw/zinc/64/72/19/356647219.db2.gz	NXIZEPIMQMRMQP-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2c[nH]c(C#N)c2)n1	ZINC000346729233	356649544	/nfs/dbraw/zinc/64/95/44/356649544.db2.gz	CZPALOZHDIQAMZ-UHFFFAOYSA-N	0	1	244.258	0.285	20	30		BCEDMN
C=CCCCN1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000352769786	134151802	/nfs/dbraw/zinc/15/18/02/134151802.db2.gz	KKEJSZFJPAGTOT-VIFPVBQESA-N	0	1	223.276	0.189	20	30		BCEDMN
CN(CC(=O)NCC#N)C[C@@H]1CCCC[C@H]1O	ZINC000305815097	134160734	/nfs/dbraw/zinc/16/07/34/134160734.db2.gz	OABJLSMXWXRKCP-WDEREUQCSA-N	0	1	239.319	0.109	20	30		BCEDMN
C=CCNC(=O)CN1CCC(COC)CC1	ZINC000112356168	134161187	/nfs/dbraw/zinc/16/11/87/134161187.db2.gz	KOWJTDWVMKPRIG-UHFFFAOYSA-N	0	1	226.320	0.647	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1ccnn1C	ZINC000193108412	356699723	/nfs/dbraw/zinc/69/97/23/356699723.db2.gz	OLUMGZFPNOECEN-VIFPVBQESA-N	0	1	222.292	0.373	20	30		BCEDMN
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CNC(=O)[C@H](C)CN(C)CC1(C#N)CCC1	ZINC000450464340	202172784	/nfs/dbraw/zinc/17/27/84/202172784.db2.gz	XXEQSJUJQBIOAW-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC#N)CC#N	ZINC000355406784	134173144	/nfs/dbraw/zinc/17/31/44/134173144.db2.gz	ARUBDRDFTRYZKK-GHMZBOCLSA-N	0	1	234.303	0.735	20	30		BCEDMN
C=C(C)CCN1CCO[C@@H](Cn2ccnn2)C1	ZINC000639855712	356860495	/nfs/dbraw/zinc/86/04/95/356860495.db2.gz	PHIKPCQYYGXSHB-GFCCVEGCSA-N	0	1	236.319	0.945	20	30		BCEDMN
CC#CCN1CCC[C@@H](N2CCNC2=O)C1	ZINC000369627497	356989056	/nfs/dbraw/zinc/98/90/56/356989056.db2.gz	ZPJQLBOHCDHGNT-LLVKDONJSA-N	0	1	221.304	0.499	20	30		BCEDMN
CC[C@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785329	134185075	/nfs/dbraw/zinc/18/50/75/134185075.db2.gz	BOJDIOOFECYWJD-XCBNKYQSSA-N	0	1	212.249	0.604	20	30		BCEDMN
C[C@@H](NC(=O)NCC(C)(C)C#N)c1nnc[nH]1	ZINC000358628302	134191142	/nfs/dbraw/zinc/19/11/42/134191142.db2.gz	KKSRJBAIDPTBKI-SSDOTTSWSA-N	0	1	236.279	0.715	20	30		BCEDMN
C=CC[C@@H]1CCN(Cc2cn(CC(N)=O)nn2)C1	ZINC000628406773	357201333	/nfs/dbraw/zinc/20/13/33/357201333.db2.gz	QIVOZBPHESLSAM-SNVBAGLBSA-N	0	1	249.318	0.161	20	30		BCEDMN
C=CCOc1ccccc1CN1C[C@H](O)[C@@H](O)C1	ZINC000628414533	357232025	/nfs/dbraw/zinc/23/20/25/357232025.db2.gz	SOGGUBHCHOVPQJ-STQMWFEESA-N	0	1	249.310	0.789	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)C(C)C#N	ZINC000359103039	134194042	/nfs/dbraw/zinc/19/40/42/134194042.db2.gz	KCSLELCHEIMQPR-GUBZILKMSA-N	0	1	238.287	0.946	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000582490818	357320008	/nfs/dbraw/zinc/32/00/08/357320008.db2.gz	OJODYAAVZVYVTI-UWVGGRQHSA-N	0	1	215.293	0.966	20	30		BCEDMN
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Cc1n[nH]c(NC(=O)c2ccnc(C#N)c2)n1	ZINC000193152705	357877507	/nfs/dbraw/zinc/87/75/07/357877507.db2.gz	PVJPVYDEBBCTQQ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
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CC(C)C[C@@H](C#N)NC(=O)CCc1nc[nH]n1	ZINC000610559931	357987354	/nfs/dbraw/zinc/98/73/54/357987354.db2.gz	ADMQVVRBIUPCAM-VIFPVBQESA-N	0	1	235.291	0.792	20	30		BCEDMN
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C=C(C)CN(C)CC(=O)NCCCOC	ZINC000053141105	358812435	/nfs/dbraw/zinc/81/24/35/358812435.db2.gz	OHSCGUWYKYXHFY-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNc1ccncc1C(N)=O	ZINC000578233243	366463281	/nfs/dbraw/zinc/46/32/81/366463281.db2.gz	SLSGHDLMJYVWBQ-CABZTGNLSA-N	0	1	247.298	0.605	20	30		BCEDMN
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C[C@@H](C(=O)N1CCSC[C@H]1C#N)N(C)C	ZINC000611407429	359360093	/nfs/dbraw/zinc/36/00/93/359360093.db2.gz	PDBCOELBMVGCBP-DTWKUNHWSA-N	0	1	227.333	0.404	20	30		BCEDMN
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C=CCS(=O)(=O)CCN[C@H](C)c1cn[nH]c1	ZINC000285011482	359320833	/nfs/dbraw/zinc/32/08/33/359320833.db2.gz	HDEOBBSUDZXXNH-SECBINFHSA-N	0	1	243.332	0.661	20	30		BCEDMN
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C[C@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000611623428	359401820	/nfs/dbraw/zinc/40/18/20/359401820.db2.gz	AKPXMNWGFPRMLW-NXEZZACHSA-N	0	1	224.308	0.539	20	30		BCEDMN
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Cc1nc(C(=O)NCc2cnc[nH]2)ccc1C#N	ZINC000088753437	359975183	/nfs/dbraw/zinc/97/51/83/359975183.db2.gz	NGCOMEZUJUIEFJ-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
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CC#CCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000613121759	360381270	/nfs/dbraw/zinc/38/12/70/360381270.db2.gz	KFOWHONNYMSZTD-SECBINFHSA-N	0	1	217.272	0.654	20	30		BCEDMN
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C=CCN(C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000428285622	201006313	/nfs/dbraw/zinc/00/63/13/201006313.db2.gz	OGYXXWZDIMHAAY-NSHDSACASA-N	0	1	226.320	0.599	20	30		BCEDMN
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CN(C)C(=O)CCN(C)CC(C)(C)C#N	ZINC000433295570	201177600	/nfs/dbraw/zinc/17/76/00/201177600.db2.gz	DSXHLQZWFLGDDX-UHFFFAOYSA-N	0	1	211.309	0.946	20	30		BCEDMN
C=CC[C@H](C)NC(=O)N(C)Cc1nnc[nH]1	ZINC000436480858	201328136	/nfs/dbraw/zinc/32/81/36/201328136.db2.gz	HYVMONCRAAOEBB-QMMMGPOBSA-N	0	1	223.280	0.911	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)N(C)Cc1nnc[nH]1	ZINC000436480857	201328797	/nfs/dbraw/zinc/32/87/97/201328797.db2.gz	HYVMONCRAAOEBB-MRVPVSSYSA-N	0	1	223.280	0.911	20	30		BCEDMN
N#Cc1c(F)cccc1C(=O)NCc1nn[nH]n1	ZINC000614623291	363911204	/nfs/dbraw/zinc/91/12/04/363911204.db2.gz	GGNYDOIVUPINDA-UHFFFAOYSA-N	0	1	246.205	0.140	20	30		BCEDMN
C#CCN(CC(=O)NCC#N)C1CCCC1	ZINC000155828198	364740533	/nfs/dbraw/zinc/74/05/33/364740533.db2.gz	STVBIUGOCXBJQC-UHFFFAOYSA-N	0	1	219.288	0.504	20	30		BCEDMN
CC(C)NC(=O)CCNC[C@H](C#N)CCC#N	ZINC000574032798	364970523	/nfs/dbraw/zinc/97/05/23/364970523.db2.gz	WGAYNCBFHKQFCS-NSHDSACASA-N	0	1	236.319	0.934	20	30		BCEDMN
CCC(C#N)(CC)C(=O)NCc1nnc[nH]1	ZINC000080626798	370801473	/nfs/dbraw/zinc/80/14/73/370801473.db2.gz	FZSKDOLMMRKHQT-UHFFFAOYSA-N	0	1	221.264	0.751	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCCCc1nc[nH]n1	ZINC000080626596	370801561	/nfs/dbraw/zinc/80/15/61/370801561.db2.gz	BHAIQSKBYAGDSF-QMMMGPOBSA-N	0	1	221.264	0.403	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)c1ccc2[nH]nnc2c1	ZINC000171848186	365249739	/nfs/dbraw/zinc/24/97/39/365249739.db2.gz	SXVITQBESXXREM-ZETCQYMHSA-N	0	1	229.243	0.847	20	30		BCEDMN
CNC(=O)[C@@H]1CCCN1CCOCCC#N	ZINC000338925223	365441982	/nfs/dbraw/zinc/44/19/82/365441982.db2.gz	KRLYWAKEWLKQAG-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
N#CCCN[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000580770282	367160463	/nfs/dbraw/zinc/16/04/63/367160463.db2.gz	WPHSLFDFUYONBK-KOLCDFICSA-N	0	1	207.277	0.547	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)N(C)CC#N	ZINC000581139491	367274389	/nfs/dbraw/zinc/27/43/89/367274389.db2.gz	CVGILPNZYBGAQN-MRVPVSSYSA-N	0	1	206.249	0.570	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N[C@@]2(C#N)CCOC2)C1	ZINC000581201338	367293204	/nfs/dbraw/zinc/29/32/04/367293204.db2.gz	VKGJCULBCDAWGH-ZYHUDNBSSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1C(=O)[O-]	ZINC000581500540	367527879	/nfs/dbraw/zinc/52/78/79/367527879.db2.gz	WGXBUDPPLBVZBR-ZJUUUORDSA-N	0	1	245.344	0.816	20	30		BCEDMN
C=CC(C)(C)CNS(=O)(=O)c1ncc[nH]1	ZINC000384941663	367761994	/nfs/dbraw/zinc/76/19/94/367761994.db2.gz	KBODSPQCWIKGOA-UHFFFAOYSA-N	0	1	229.305	0.900	20	30		BCEDMN
C[C@@]1(O)CCN(Cc2ccc(C#N)cn2)C1	ZINC000581733749	367796666	/nfs/dbraw/zinc/79/66/66/367796666.db2.gz	ABXCMEPSZAZGRO-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000385871329	367872625	/nfs/dbraw/zinc/87/26/25/367872625.db2.gz	ZIVYYXQNIZPXMY-ZJUUUORDSA-N	0	1	213.277	0.984	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@](F)(C#N)C2)[nH]1	ZINC000615590657	368121858	/nfs/dbraw/zinc/12/18/58/368121858.db2.gz	SIZNNZUIEXZZJW-JTQLQIEISA-N	0	1	222.223	0.796	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCc1n[nH]c(C(C)C)n1	ZINC000615666036	368198651	/nfs/dbraw/zinc/19/86/51/368198651.db2.gz	ATVKPYSHJIOJHK-SSDOTTSWSA-N	0	1	224.264	0.091	20	30		BCEDMN
Cc1cc(C(=O)N(C)C[C@H](C)C#N)n[nH]1	ZINC000068081229	368712912	/nfs/dbraw/zinc/71/29/12/368712912.db2.gz	FYWBZLUXLULFRQ-SSDOTTSWSA-N	0	1	206.249	0.950	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000615984359	368855232	/nfs/dbraw/zinc/85/52/32/368855232.db2.gz	FCEDAZYDECVKDP-GHMZBOCLSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@H](CCC#N)CN1CCO[C@H](C(N)=O)C1	ZINC000618887477	369234427	/nfs/dbraw/zinc/23/44/27/369234427.db2.gz	ZWKLUSCDKNMZGC-ZJUUUORDSA-N	0	1	225.292	0.112	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NCc1n[nH]c(CC)n1	ZINC000458873351	203204641	/nfs/dbraw/zinc/20/46/41/203204641.db2.gz	MWBZKUYCJMBOIC-SSDOTTSWSA-N	0	1	223.280	0.741	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)C2	ZINC000619251663	369307982	/nfs/dbraw/zinc/30/79/82/369307982.db2.gz	KDOYGMIIYFCBLP-UHFFFAOYSA-N	0	1	244.298	0.664	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)C2	ZINC000619251980	369308489	/nfs/dbraw/zinc/30/84/89/369308489.db2.gz	WUJCFPULUNYSQA-UHFFFAOYSA-N	0	1	244.298	0.664	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2COC[C@H]2O)cc1F	ZINC000404124730	369420004	/nfs/dbraw/zinc/42/00/04/369420004.db2.gz	QATXZQNSIBEZMZ-NWDGAFQWSA-N	0	1	236.246	0.547	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@H](C)c1nnc[nH]1	ZINC000230418134	369439734	/nfs/dbraw/zinc/43/97/34/369439734.db2.gz	UCQLCZJGQQEJDC-RQJHMYQMSA-N	0	1	207.237	0.532	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000619722077	369552399	/nfs/dbraw/zinc/55/23/99/369552399.db2.gz	ZXZDOPKWXZPWJO-NEPJUHHUSA-N	0	1	240.347	0.986	20	30		BCEDMN
C[C@H](Nc1ccncc1C#N)C1N=NC(=O)N1C	ZINC000601186999	369601707	/nfs/dbraw/zinc/60/17/07/369601707.db2.gz	JWLYTWXBNLWNEZ-ZETCQYMHSA-N	0	1	244.258	0.382	20	30		BCEDMN
C[C@H](Nc1ncccc1C#N)C1N=NC(=O)N1C	ZINC000601187031	369602534	/nfs/dbraw/zinc/60/25/34/369602534.db2.gz	LFEJLDVEVARMBY-ZETCQYMHSA-N	0	1	244.258	0.960	20	30		BCEDMN
COC[C@H](CCO)NCc1cccc(C#N)n1	ZINC000602552218	369812191	/nfs/dbraw/zinc/81/21/91/369812191.db2.gz	HASMJZAFUREAMA-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
COC[C@@H](CCO)NCc1cccc(C#N)n1	ZINC000602552217	369812209	/nfs/dbraw/zinc/81/22/09/369812209.db2.gz	HASMJZAFUREAMA-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
COC[C@@](C)(CCO)NCc1cccc(C#N)n1	ZINC000602570523	369815966	/nfs/dbraw/zinc/81/59/66/369815966.db2.gz	BQYYIUUSNDXXMM-CYBMUJFWSA-N	0	1	249.314	0.830	20	30		BCEDMN
COC[C@](C)(CO)NCc1cccc(C#N)n1	ZINC000602589418	369818411	/nfs/dbraw/zinc/81/84/11/369818411.db2.gz	RPVMBWVRTPZEPB-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
COC[C@@H](CO)NCc1cccc(C#N)n1	ZINC000602637923	369832519	/nfs/dbraw/zinc/83/25/19/369832519.db2.gz	KEHSTCQBHHBZTA-LLVKDONJSA-N	0	1	221.260	0.050	20	30		BCEDMN
N#Cc1cccc(CN[C@]2(CCO)CCOC2)n1	ZINC000602638943	369832652	/nfs/dbraw/zinc/83/26/52/369832652.db2.gz	YRZGQLMWIKDAKS-CYBMUJFWSA-N	0	1	247.298	0.584	20	30		BCEDMN
CN(Cc1nnc[nH]1)Cc1cccc(C#N)n1	ZINC000602473224	369793095	/nfs/dbraw/zinc/79/30/95/369793095.db2.gz	KTHOGMYZMDTKBK-UHFFFAOYSA-N	0	1	228.259	0.703	20	30		BCEDMN
N#Cc1cccc(CN2CCc3n[nH]nc3C2)n1	ZINC000602716960	369846450	/nfs/dbraw/zinc/84/64/50/369846450.db2.gz	WETCELXFRNKBTL-UHFFFAOYSA-N	0	1	240.270	0.630	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1Cc1ccc(C#N)cn1	ZINC000602900383	369862487	/nfs/dbraw/zinc/86/24/87/369862487.db2.gz	UMFKWYKSELDCBH-QWHCGFSZSA-N	0	1	247.298	0.271	20	30		BCEDMN
CCNCc1cn(Cc2ccc(C#N)cn2)nn1	ZINC000603224130	369899773	/nfs/dbraw/zinc/89/97/73/369899773.db2.gz	XAJZZOHGWTXDOB-UHFFFAOYSA-N	0	1	242.286	0.703	20	30		BCEDMN
CCNCc1cn(Cc2ccncc2C#N)nn1	ZINC000603254128	369905364	/nfs/dbraw/zinc/90/53/64/369905364.db2.gz	KMYPVWXBCNGOFS-UHFFFAOYSA-N	0	1	242.286	0.703	20	30		BCEDMN
C=CCCN(C)CCS(=O)(=O)NC	ZINC000621285302	370214556	/nfs/dbraw/zinc/21/45/56/370214556.db2.gz	UHQGPXPECHPMDH-UHFFFAOYSA-N	0	1	206.311	0.044	20	30		BCEDMN
CN(C[C@H]1CCC[N@H+]1C)c1nccnc1C#N	ZINC000092631227	371106180	/nfs/dbraw/zinc/10/61/80/371106180.db2.gz	YOSYNUPIDYRTAG-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1	ZINC000633672763	373675613	/nfs/dbraw/zinc/67/56/13/373675613.db2.gz	SAVLEUMXDRVIBX-SECBINFHSA-N	0	1	220.276	0.772	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)CCc2nn[nH]n2)C1	ZINC000633672901	373676816	/nfs/dbraw/zinc/67/68/16/373676816.db2.gz	UOHHMZBWKDGIMR-SECBINFHSA-N	0	1	235.291	0.557	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC([C@H](C)O)CC1	ZINC000225782197	259592970	/nfs/dbraw/zinc/59/29/70/259592970.db2.gz	MTFNWLBPOBEFTL-MNOVXSKESA-N	0	1	238.331	0.217	20	30		BCEDMN
CN(C)C1CN(C(=O)c2cc(C#N)ccn2)C1	ZINC000288247051	383834252	/nfs/dbraw/zinc/83/42/52/383834252.db2.gz	BGCRQMJWACYXSL-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
C#CCCN1CCN(CC(=O)OCC)CC1	ZINC000152966407	384089022	/nfs/dbraw/zinc/08/90/22/384089022.db2.gz	HMGFYQIERFHXMJ-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1	ZINC000363461644	384063948	/nfs/dbraw/zinc/06/39/48/384063948.db2.gz	VTFQMHXZJAWOIA-LLVKDONJSA-N	0	1	242.344	0.166	20	30		BCEDMN
C#CCCN1CC[C@@H](S(=O)(=O)NC2CC2)C1	ZINC000363461644	384063956	/nfs/dbraw/zinc/06/39/56/384063956.db2.gz	VTFQMHXZJAWOIA-LLVKDONJSA-N	0	1	242.344	0.166	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1ccc(C#N)n1C	ZINC000336240501	384175181	/nfs/dbraw/zinc/17/51/81/384175181.db2.gz	CZUUUBHZHJNQKN-UHFFFAOYSA-N	0	1	243.270	0.858	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2cncc(C#N)n2)C1	ZINC000401207215	384394245	/nfs/dbraw/zinc/39/42/45/384394245.db2.gz	KLDPSJRXYDHKLE-LLVKDONJSA-N	0	1	246.318	0.006	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCCO1	ZINC000490850261	384438175	/nfs/dbraw/zinc/43/81/75/384438175.db2.gz	AVPDEKLLZTZHCH-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
CC#CCCNCc1nccnc1OC	ZINC000449228255	384441242	/nfs/dbraw/zinc/44/12/42/384441242.db2.gz	SOSGRVQOXBKODO-UHFFFAOYSA-N	0	1	205.261	0.988	20	30		BCEDMN
CC(C)N(Cc1ccc(C#N)cn1)C[C@@H](O)CO	ZINC000564587038	384552697	/nfs/dbraw/zinc/55/26/97/384552697.db2.gz	ZKQWGGQQZFNUEI-CYBMUJFWSA-N	0	1	249.314	0.517	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cnn[nH]1	ZINC000086558711	384662954	/nfs/dbraw/zinc/66/29/54/384662954.db2.gz	BEBXWLHKYAYXKR-BQBZGAKWSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1CO	ZINC000050115102	384694614	/nfs/dbraw/zinc/69/46/14/384694614.db2.gz	DCIRWKWFUIIMQS-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2ccn[nH]2)CC1	ZINC000058003512	384747180	/nfs/dbraw/zinc/74/71/80/384747180.db2.gz	STCDOUZDXLJLBQ-UHFFFAOYSA-N	0	1	233.275	0.127	20	30		BCEDMN
N#CCCN(CCC(=O)NC(N)=O)CC1CC1	ZINC000174697043	384825678	/nfs/dbraw/zinc/82/56/78/384825678.db2.gz	GJJRNICWHPALET-UHFFFAOYSA-N	0	1	238.291	0.197	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCC2CC2)CC1	ZINC000491096248	384846604	/nfs/dbraw/zinc/84/66/04/384846604.db2.gz	QNMWFFSRXMLCKD-UHFFFAOYSA-N	0	1	236.315	0.789	20	30		BCEDMN
N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](O)C2)CC1	ZINC000528373981	384899802	/nfs/dbraw/zinc/89/98/02/384899802.db2.gz	SFTGDTMWJVVHFO-VHSXEESVSA-N	0	1	210.277	0.108	20	30		BCEDMN
C=CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000334144394	385041096	/nfs/dbraw/zinc/04/10/96/385041096.db2.gz	XRQSIPAJWGYSIU-ZJUUUORDSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=CCn1cc(CNC(=O)[C@H](C)N(C)C)nn1	ZINC000644785908	385201143	/nfs/dbraw/zinc/20/11/43/385201143.db2.gz	PDIFHNMEVUZZAF-VIFPVBQESA-N	0	1	237.307	0.030	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CC[C@@](C)(O)C1	ZINC000178005196	385169190	/nfs/dbraw/zinc/16/91/90/385169190.db2.gz	WQOPFZUPUBJWOJ-CYBMUJFWSA-N	0	1	240.347	0.868	20	30		BCEDMN
C#CCN(C)CCCNc1nccn(C)c1=O	ZINC000292821290	533108991	/nfs/dbraw/zinc/10/89/91/533108991.db2.gz	OWHJMEFCBNPVOH-UHFFFAOYSA-N	0	1	234.303	0.147	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CCC(=O)CC2)c1=O	ZINC000573119611	385464468	/nfs/dbraw/zinc/46/44/68/385464468.db2.gz	FNCZDZYJDNKESU-UHFFFAOYSA-N	0	1	247.254	0.168	20	30		BCEDMN
CN(CCC#N)C(=O)CCCCc1cn[nH]n1	ZINC000157657704	385513262	/nfs/dbraw/zinc/51/32/62/385513262.db2.gz	BQSYVGISNCVGAQ-UHFFFAOYSA-N	0	1	235.291	0.890	20	30		BCEDMN
COCC#CCN1CC[C@H](C(=O)OC)[C@H](C)C1	ZINC000595822681	385641352	/nfs/dbraw/zinc/64/13/52/385641352.db2.gz	ARIKQSCWZZNRFK-NEPJUHHUSA-N	0	1	239.315	0.767	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CC(C)(C)CO)C1=O	ZINC000451252272	385752504	/nfs/dbraw/zinc/75/25/04/385752504.db2.gz	JYBHPLFLDHFSAS-LLVKDONJSA-N	0	1	240.347	0.724	20	30		BCEDMN
C[C@@H](O)CN1CCN(CC2(CC#N)CC2)CC1	ZINC000602772781	385820323	/nfs/dbraw/zinc/82/03/23/385820323.db2.gz	KGGGQRNVVAKVAH-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
C#CCN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000076609970	533151606	/nfs/dbraw/zinc/15/16/06/533151606.db2.gz	BZWKUKOXQRXXSS-UHFFFAOYSA-N	0	1	249.358	0.250	20	30		BCEDMN
COc1cc(CNCC(=O)N(C)C)ccc1C#N	ZINC000234831598	386103926	/nfs/dbraw/zinc/10/39/26/386103926.db2.gz	CLRMHMWQSAEJNB-UHFFFAOYSA-N	0	1	247.298	0.745	20	30		BCEDMN
CC#CCCCC(=O)N1CCc2[nH]nnc2C1	ZINC000345271682	386068575	/nfs/dbraw/zinc/06/85/75/386068575.db2.gz	WQKJMMCVNFNVQM-UHFFFAOYSA-N	0	1	232.287	0.883	20	30		BCEDMN
C=CCN1CC[C@H](N2C[C@@H](O)C(C)(C)C2)C1=O	ZINC000334460943	386123440	/nfs/dbraw/zinc/12/34/40/386123440.db2.gz	ODARBLUVMUVJHF-WDEREUQCSA-N	0	1	238.331	0.476	20	30		BCEDMN
COCCN(C)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000345808539	386131216	/nfs/dbraw/zinc/13/12/16/386131216.db2.gz	IOJZXJUQZGJVQB-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@H]1NC[C@H](C#N)CCC#N	ZINC000345871270	386138240	/nfs/dbraw/zinc/13/82/40/386138240.db2.gz	BFCXAKLNVSDPGI-QJPTWQEYSA-N	0	1	248.330	0.934	20	30		BCEDMN
C[C@H](CO)N1CCCN(C(=O)[C@@H](C)C#N)CC1	ZINC000347098051	386247972	/nfs/dbraw/zinc/24/79/72/386247972.db2.gz	KXEUHJLNTOGECH-WDEREUQCSA-N	0	1	239.319	0.061	20	30		BCEDMN
CN(CCCCO)CC(=O)NC1(C#N)CCC1	ZINC000347229398	386290859	/nfs/dbraw/zinc/29/08/59/386290859.db2.gz	NNUJOEANOLNQDS-UHFFFAOYSA-N	0	1	239.319	0.253	20	30		BCEDMN
N#CC1(CN2[C@H](CO)CC[C@H]2CO)CC1	ZINC000347297558	386301191	/nfs/dbraw/zinc/30/11/91/386301191.db2.gz	WDMVBQCASODZLO-UWVGGRQHSA-N	0	1	210.277	0.108	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N(C)CCN(C)C1CC1	ZINC000416467998	386314432	/nfs/dbraw/zinc/31/44/32/386314432.db2.gz	XDHHIVCQYUZVHK-SECBINFHSA-N	0	1	245.348	0.254	20	30		BCEDMN
C=CCCC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C	ZINC000416300234	386264788	/nfs/dbraw/zinc/26/47/88/386264788.db2.gz	SYWAOYGOUZIMGC-RYUDHWBXSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCC[C@H](CO)NCc1ncnn1CC	ZINC000320782924	386490743	/nfs/dbraw/zinc/49/07/43/386490743.db2.gz	RSMHNNXHWJQJRI-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCNC(=O)CNCc1cnc(C)n1C	ZINC000519651230	386518866	/nfs/dbraw/zinc/51/88/66/386518866.db2.gz	PTUKAYBFVDIKHX-UHFFFAOYSA-N	0	1	222.292	0.120	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(O)C1	ZINC000124203178	386582165	/nfs/dbraw/zinc/58/21/65/386582165.db2.gz	NZNGXODAESDCNM-CMPLNLGQSA-N	0	1	226.320	0.524	20	30		BCEDMN
C[C@@H](O)C[C@H]1CCCCN1CC(=O)NCC#N	ZINC000123668435	386560706	/nfs/dbraw/zinc/56/07/06/386560706.db2.gz	QKIIXKDDUXAQRB-GHMZBOCLSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)Cc2nnc[nH]2)C1=O	ZINC000328837622	386628509	/nfs/dbraw/zinc/62/85/09/386628509.db2.gz	TVAXNAQYNDDYFJ-SECBINFHSA-N	0	1	235.291	0.023	20	30		BCEDMN
CCN(CC(=O)N[C@@H](C)CC#N)C1CC1	ZINC000179163788	386613465	/nfs/dbraw/zinc/61/34/65/386613465.db2.gz	ANFWMGBAJSAHLM-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
C#CCN(CC#C)CCCc1nc(C)no1	ZINC000268687479	386681671	/nfs/dbraw/zinc/68/16/71/386681671.db2.gz	QIHOYAOHXBCDRS-UHFFFAOYSA-N	0	1	217.272	0.879	20	30		BCEDMN
CC[C@@H](C)NC([O-])=[NH+]CCn1cncn1	ZINC000330418281	386710172	/nfs/dbraw/zinc/71/01/72/386710172.db2.gz	FFZOHUXOQQCRKT-MRVPVSSYSA-N	0	1	211.269	0.580	20	30		BCEDMN
CC[C@@H](C)NC(=O)NCCn1cncn1	ZINC000330418281	386710177	/nfs/dbraw/zinc/71/01/77/386710177.db2.gz	FFZOHUXOQQCRKT-MRVPVSSYSA-N	0	1	211.269	0.580	20	30		BCEDMN
C=CCCCCCN(C)C(=O)CNC(=O)CN	ZINC000124922761	386690991	/nfs/dbraw/zinc/69/09/91/386690991.db2.gz	SLEYLAJVVWUFSN-UHFFFAOYSA-N	0	1	241.335	0.266	20	30		BCEDMN
Cc1noc([C@H](C)NC(=O)c2cnn[nH]2)n1	ZINC000330388868	386697483	/nfs/dbraw/zinc/69/74/83/386697483.db2.gz	DKYUHVDFHSJHMS-BYPYZUCNSA-N	0	1	222.208	0.562	20	30		BCEDMN
COC[C@H](N)C(=O)N1CCC(CCC#N)CC1	ZINC000520585422	386698205	/nfs/dbraw/zinc/69/82/05/386698205.db2.gz	PHKHUPFMRHMZFE-NSHDSACASA-N	0	1	239.319	0.502	20	30		BCEDMN
CC(C)(C)n1ncnc1CNC(=O)c1cnn[nH]1	ZINC000330396086	386701775	/nfs/dbraw/zinc/70/17/75/386701775.db2.gz	KARDBPRSQANYSI-UHFFFAOYSA-N	0	1	249.278	0.656	20	30		BCEDMN
CC(C)OCCNC(=O)N(C)Cc1nnc[nH]1	ZINC000330486111	386734391	/nfs/dbraw/zinc/73/43/91/386734391.db2.gz	BXRZRJPJGXLUGJ-UHFFFAOYSA-N	0	1	241.295	0.576	20	30		BCEDMN
CS[C@@H](C)CNC(=O)N(C)Cc1nnc[nH]1	ZINC000330489063	386737321	/nfs/dbraw/zinc/73/73/21/386737321.db2.gz	JWDSENKOKKVLME-ZETCQYMHSA-N	0	1	243.336	0.902	20	30		BCEDMN
C[C@H](CC#N)N[C@@H]1CCC(=O)NC1(C)C	ZINC000336761182	386756747	/nfs/dbraw/zinc/75/67/47/386756747.db2.gz	NAPYPPFEZRYXPP-RKDXNWHRSA-N	0	1	209.293	0.935	20	30		BCEDMN
COCC#CCN1CC[C@H](n2cccn2)C1	ZINC000643396985	386741378	/nfs/dbraw/zinc/74/13/78/386741378.db2.gz	PSHNEAWPPJWYLY-LBPRGKRZSA-N	0	1	219.288	0.780	20	30		BCEDMN
C[C@@H](Cn1ccnc1)[NH+]=C([O-])N(C)CCO	ZINC000330572486	386794425	/nfs/dbraw/zinc/79/44/25/386794425.db2.gz	FZWZFWAHKYQUAU-VIFPVBQESA-N	0	1	226.280	0.110	20	30		BCEDMN
CN(CC(=O)NCCC#N)[C@@H]1CCSC1	ZINC000330526624	386774480	/nfs/dbraw/zinc/77/44/80/386774480.db2.gz	QSHOIKVYRNGMDP-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
CC#CCCNC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000458654635	386818320	/nfs/dbraw/zinc/81/83/20/386818320.db2.gz	LMYWUFGWXMRFRF-UHFFFAOYSA-N	0	1	247.302	0.895	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2cnn(C)c2C)n1	ZINC000330624660	386821148	/nfs/dbraw/zinc/82/11/48/386821148.db2.gz	RQCHNRBRUHUURQ-UHFFFAOYSA-N	0	1	248.290	0.702	20	30		BCEDMN
CN1CCN(C)[C@H](CNC(=O)c2cc[nH]c2)C1	ZINC000330696907	386835451	/nfs/dbraw/zinc/83/54/51/386835451.db2.gz	KKFBHKFXAXEALM-LLVKDONJSA-N	0	1	236.319	0.565	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(C)C[C@@H](C)O	ZINC000051822118	386869779	/nfs/dbraw/zinc/86/97/79/386869779.db2.gz	QKGZGHOZZMGGQS-LLVKDONJSA-N	0	1	228.336	0.724	20	30		BCEDMN
C=CCC[C@H](CO)NCc1ccn(C)n1	ZINC000321402053	386903837	/nfs/dbraw/zinc/90/38/37/386903837.db2.gz	IERFJRPCPSPVRE-LLVKDONJSA-N	0	1	209.293	0.837	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000368205397	533204798	/nfs/dbraw/zinc/20/47/98/533204798.db2.gz	OZYHZUKQRRZQGW-NXEZZACHSA-N	0	1	246.314	0.978	20	30		BCEDMN
C=CCCCCNC(=O)N1CCNCC1	ZINC000418041393	387073415	/nfs/dbraw/zinc/07/34/15/387073415.db2.gz	XFPHOPMWGOACNV-UHFFFAOYSA-N	0	1	211.309	0.958	20	30		BCEDMN
N#CCCN1CCN(C[C@H]2CCCO2)CC1	ZINC000049819503	387086736	/nfs/dbraw/zinc/08/67/36/387086736.db2.gz	BLOLESFQIFOEBH-GFCCVEGCSA-N	0	1	223.320	0.697	20	30		BCEDMN
CCN(C)CCNS(=O)(=O)CCCCC#N	ZINC000068903606	387108564	/nfs/dbraw/zinc/10/85/64/387108564.db2.gz	AMWKRFOYDCMLKQ-UHFFFAOYSA-N	0	1	247.364	0.551	20	30		BCEDMN
C=CCCC[C@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1	ZINC000359515289	387114982	/nfs/dbraw/zinc/11/49/82/387114982.db2.gz	NFIFANXYIVPYQA-WDEREUQCSA-N	0	1	226.320	0.917	20	30		BCEDMN
C#CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000375503892	533210796	/nfs/dbraw/zinc/21/07/96/533210796.db2.gz	AJUJMYQRZKQFES-DTWKUNHWSA-N	0	1	232.287	0.438	20	30		BCEDMN
C#CC[C@H](C)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000375503892	533210801	/nfs/dbraw/zinc/21/08/01/533210801.db2.gz	AJUJMYQRZKQFES-DTWKUNHWSA-N	0	1	232.287	0.438	20	30		BCEDMN
C#CC[C@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000368205399	533210809	/nfs/dbraw/zinc/21/08/09/533210809.db2.gz	OZYHZUKQRRZQGW-VHSXEESVSA-N	0	1	246.314	0.978	20	30		BCEDMN
C=CCCCNC(=O)N1CCN[C@H](C)C1	ZINC000418104315	387132509	/nfs/dbraw/zinc/13/25/09/387132509.db2.gz	XQWNETOCCTVEST-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)C[C@@H]1CC	ZINC000580396425	387161965	/nfs/dbraw/zinc/16/19/65/387161965.db2.gz	BEZWMIPNMXIGPK-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CC1)[C@@H]1CCSC1	ZINC000120435420	387185336	/nfs/dbraw/zinc/18/53/36/387185336.db2.gz	DHTVJORGJQWACK-SECBINFHSA-N	0	1	239.344	0.596	20	30		BCEDMN
CC(C)OC[C@H](O)CNC[C@@H](C)C#N	ZINC000572114537	387237699	/nfs/dbraw/zinc/23/76/99/387237699.db2.gz	ZVSMDGZYWVYZRJ-VHSXEESVSA-N	0	1	200.282	0.522	20	30		BCEDMN
CC(C)OC[C@@H](O)CNC[C@H](C)C#N	ZINC000572114538	387237798	/nfs/dbraw/zinc/23/77/98/387237798.db2.gz	ZVSMDGZYWVYZRJ-ZJUUUORDSA-N	0	1	200.282	0.522	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000610489956	387361010	/nfs/dbraw/zinc/36/10/10/387361010.db2.gz	XFULFOJCOUWIOO-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
N#Cc1ccccc1CN1[C@@H](CO)CC[C@H]1CO	ZINC000347320908	387333742	/nfs/dbraw/zinc/33/37/42/387333742.db2.gz	UHZDHTYZMXSBFB-OKILXGFUSA-N	0	1	246.310	0.876	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCOC1	ZINC000267445405	387410276	/nfs/dbraw/zinc/41/02/76/387410276.db2.gz	PYYHKMWKDXMXKF-WDEREUQCSA-N	0	1	224.304	0.093	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N[C@@H](C#N)C2CC2)C1	ZINC000515667560	387415875	/nfs/dbraw/zinc/41/58/75/387415875.db2.gz	NEEYQCMAWALSGT-KOLCDFICSA-N	0	1	221.304	0.747	20	30		BCEDMN
C#C[C@@H](C)N[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000274844859	387495856	/nfs/dbraw/zinc/49/58/56/387495856.db2.gz	XGXQMUPHPKNJQS-SKDRFNHKSA-N	0	1	234.274	0.833	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN[C@H](C)C1	ZINC000424076486	387478617	/nfs/dbraw/zinc/47/86/17/387478617.db2.gz	MBVZZBLVJWNLDU-UTUOFQBUSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NO[C@@H]1CCCCO1	ZINC000278956484	387558530	/nfs/dbraw/zinc/55/85/30/387558530.db2.gz	WDZBQQGJDBGVHH-MNOVXSKESA-N	0	1	229.276	0.888	20	30		BCEDMN
C[C@H](NCC(=O)NCC#N)c1ccc(C#N)cc1	ZINC000037749595	387565203	/nfs/dbraw/zinc/56/52/03/387565203.db2.gz	IBPSDEVZEJAODF-JTQLQIEISA-N	0	1	242.282	0.849	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)Nc1nnc(C)[nH]1	ZINC000279468621	387566011	/nfs/dbraw/zinc/56/60/11/387566011.db2.gz	PNEUFXUTSAUPIU-VIFPVBQESA-N	0	1	210.237	0.379	20	30		BCEDMN
C=C(CC)CN1CCOC[C@H]1CC(N)=O	ZINC000452093553	387735202	/nfs/dbraw/zinc/73/52/02/387735202.db2.gz	XXKXVJBPABTIFL-SNVBAGLBSA-N	0	1	212.293	0.529	20	30		BCEDMN
N#Cc1cccc(OCCNC2(C(N)=O)CC2)c1	ZINC000152445699	387855128	/nfs/dbraw/zinc/85/51/28/387855128.db2.gz	BIRVXDOSLCCZHI-UHFFFAOYSA-N	0	1	245.282	0.545	20	30		BCEDMN
CCOC(=O)CN(CC)C(=O)C(C)C#N	ZINC000044826655	387944714	/nfs/dbraw/zinc/94/47/14/387944714.db2.gz	MSQKIZOAIXNMMA-MRVPVSSYSA-N	0	1	212.249	0.558	20	30		BCEDMN
C=CCCS(=O)(=O)NCc1cn[nH]c1C	ZINC000439196816	387983842	/nfs/dbraw/zinc/98/38/42/387983842.db2.gz	HJLMEPPYCSVGBH-UHFFFAOYSA-N	0	1	229.305	0.714	20	30		BCEDMN
C=CCNC(=O)CN(C)c1ncnc2[nH]cnc21	ZINC000045978805	388007402	/nfs/dbraw/zinc/00/74/02/388007402.db2.gz	ADNFKZRFKARMIF-UHFFFAOYSA-N	0	1	246.274	0.091	20	30		BCEDMN
CC(C)(C#N)CCN1CCN(CCO)CC1	ZINC000083640332	388056898	/nfs/dbraw/zinc/05/68/98/388056898.db2.gz	PKLDAQGTEQOSSI-UHFFFAOYSA-N	0	1	225.336	0.536	20	30		BCEDMN
CC#CCN1C[C@H](CO)C[C@H](OCCOC)C1	ZINC000447391559	388068845	/nfs/dbraw/zinc/06/88/45/388068845.db2.gz	KANATPHFAQUKBK-OLZOCXBDSA-N	0	1	241.331	0.356	20	30		BCEDMN
Cc1cc(CNC(=O)c2cccc(C#N)n2)n[nH]1	ZINC000589417245	388109348	/nfs/dbraw/zinc/10/93/48/388109348.db2.gz	IIXSKKRREGGOJD-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CC[C@H](C)N(CC(=O)OC)C(=O)C(C)C#N	ZINC000456062014	388172313	/nfs/dbraw/zinc/17/23/13/388172313.db2.gz	GNRPPLZJZSCPTJ-IUCAKERBSA-N	0	1	226.276	0.946	20	30		BCEDMN
N#C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1	ZINC000171733294	388131788	/nfs/dbraw/zinc/13/17/88/388131788.db2.gz	GCYBWDCXHWCDCP-VIFPVBQESA-N	0	1	246.270	0.652	20	30		BCEDMN
C#CCN(C(=O)CN(C)C)C1CCCC1	ZINC000490717902	388249780	/nfs/dbraw/zinc/24/97/80/388249780.db2.gz	FRSFLXPQFUBJCG-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCCCS(=O)(=O)NC1CCN(C)CC1	ZINC000489048748	388202706	/nfs/dbraw/zinc/20/27/06/388202706.db2.gz	GAUYAQMGVXHUFF-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CN(CC)C1CC1	ZINC000456778469	388221615	/nfs/dbraw/zinc/22/16/15/388221615.db2.gz	OKXVMEBLSDHLJT-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CCCCS(=O)(=O)N(C)Cc1nnc[nH]1	ZINC000489799329	388225294	/nfs/dbraw/zinc/22/52/94/388225294.db2.gz	SZOXFEBRZRDZIG-UHFFFAOYSA-N	0	1	244.320	0.533	20	30		BCEDMN
C#CCN1CCC(C(=O)N(CC#N)CC#N)CC1	ZINC000490594026	388241259	/nfs/dbraw/zinc/24/12/59/388241259.db2.gz	KDIOQPFMWNDMOM-UHFFFAOYSA-N	0	1	244.298	0.207	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)S[C@@H](C)C1	ZINC000490678307	388246802	/nfs/dbraw/zinc/24/68/02/388246802.db2.gz	NFTNWGYTFODZBI-OUAUKWLOSA-N	0	1	240.372	0.950	20	30		BCEDMN
C#CCN(CC#CC)CCCC(=O)N(C)C	ZINC000491381960	388290172	/nfs/dbraw/zinc/29/01/72/388290172.db2.gz	GZDZRBRCPBEBLS-UHFFFAOYSA-N	0	1	220.316	0.813	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccccc1	ZINC000491381844	388290433	/nfs/dbraw/zinc/29/04/33/388290433.db2.gz	GPMUUKZCRPIZIR-VXGBXAGGSA-N	0	1	205.257	0.304	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccc(OC)cn1	ZINC000491420318	388293473	/nfs/dbraw/zinc/29/34/73/388293473.db2.gz	WZFOELYLPQCYQV-UHFFFAOYSA-N	0	1	247.298	0.319	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)COC(F)F	ZINC000491497160	388299294	/nfs/dbraw/zinc/29/92/94/388299294.db2.gz	VZILKHLQVJFJSQ-VIFPVBQESA-N	0	1	247.241	0.866	20	30		BCEDMN
C#C[C@H](C)N(C)c1ncnc2[nH]cnc21	ZINC000491567502	388304222	/nfs/dbraw/zinc/30/42/22/388304222.db2.gz	LGMJIGSTHIKRIK-ZETCQYMHSA-N	0	1	201.233	0.811	20	30		BCEDMN
C#CCN(CC#C)CCCC(=O)N(C)C	ZINC000491622200	388305691	/nfs/dbraw/zinc/30/56/91/388305691.db2.gz	FBGIRKNNDLDFFD-UHFFFAOYSA-N	0	1	206.289	0.423	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NCc1n[nH]c(CC)n1	ZINC000491626935	388305998	/nfs/dbraw/zinc/30/59/98/388305998.db2.gz	NAQDOHILWWXKJY-SECBINFHSA-N	0	1	249.318	0.968	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H](C)Cc1cnc[nH]1	ZINC000491631510	388306625	/nfs/dbraw/zinc/30/66/25/388306625.db2.gz	OIHISPOKUJGMMB-SNVBAGLBSA-N	0	1	230.271	0.574	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)OC[C@H]1CCCN1CC#C	ZINC000491672274	388309869	/nfs/dbraw/zinc/30/98/69/388309869.db2.gz	ROXHWZMSBQGDHT-QWHCGFSZSA-N	0	1	249.310	0.666	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)[C@@H](C)N1CC(C)C1	ZINC000491672291	388309934	/nfs/dbraw/zinc/30/99/34/388309934.db2.gz	TWSQKYRLGRFPMG-NEPJUHHUSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#C[C@H](C)N(C)c1nc2[nH]ncc2c(=O)[nH]1	ZINC000491696024	388312046	/nfs/dbraw/zinc/31/20/46/388312046.db2.gz	DKGFQSRJNUGCFT-LURJTMIESA-N	0	1	217.232	0.516	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(F)cc1	ZINC000491735402	388316090	/nfs/dbraw/zinc/31/60/90/388316090.db2.gz	UCDNTMPYXSICJM-NEPJUHHUSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#CCN(CC#C)[C@@H](C)c1n[nH]c(C)n1	ZINC000491738252	388316592	/nfs/dbraw/zinc/31/65/92/388316592.db2.gz	MPZGAXCULITVQU-VIFPVBQESA-N	0	1	202.261	0.743	20	30		BCEDMN
C#CCN1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000491771904	388319382	/nfs/dbraw/zinc/31/93/82/388319382.db2.gz	RRPRHEVQHPUDJS-LLVKDONJSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CN1CCN(CC)CC1	ZINC000491775160	388319742	/nfs/dbraw/zinc/31/97/42/388319742.db2.gz	WSLKQDBCEITHGT-LBPRGKRZSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CCC(CC)CC2)C1=O	ZINC000491781694	388320671	/nfs/dbraw/zinc/32/06/71/388320671.db2.gz	GSRVHAXJMQBSMB-GFCCVEGCSA-N	0	1	248.326	0.869	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1ccc2[nH]nnc2c1	ZINC000491021543	388265765	/nfs/dbraw/zinc/26/57/65/388265765.db2.gz	MPRBDPYAAPXHCE-UHFFFAOYSA-N	0	1	239.238	0.557	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2C[C@@H](C)[C@@H]2C)CC1	ZINC000491210006	388277806	/nfs/dbraw/zinc/27/78/06/388277806.db2.gz	OWILSHKRGOCKLH-OLZOCXBDSA-N	0	1	249.358	0.104	20	30		BCEDMN
CN(C)CC(=O)NCc1cccc(C#N)c1	ZINC000193551026	388371199	/nfs/dbraw/zinc/37/11/99/388371199.db2.gz	DMDAXWVGNQIHGG-UHFFFAOYSA-N	0	1	217.272	0.736	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1cc(C#N)ncn1	ZINC000549253945	388381240	/nfs/dbraw/zinc/38/12/40/388381240.db2.gz	KWBMGPKLZNTSQC-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C2CCCC2)CC1	ZINC000646642895	388399752	/nfs/dbraw/zinc/39/97/52/388399752.db2.gz	PFZAVHVAEZPIOW-GFCCVEGCSA-N	0	1	238.331	0.620	20	30		BCEDMN
C=C(C)[C@@H](CO)N(CC)CC(=O)N(C)C	ZINC000649245397	388468359	/nfs/dbraw/zinc/46/83/59/388468359.db2.gz	AOQUDMDMQKKJLC-SNVBAGLBSA-N	0	1	214.309	0.334	20	30		BCEDMN
CC#CCSc1nc2[nH]ncc2c(=O)[nH]1	ZINC000165838142	388412507	/nfs/dbraw/zinc/41/25/07/388412507.db2.gz	ORPGPRTXUZHWAT-UHFFFAOYSA-N	0	1	220.257	0.762	20	30		BCEDMN
CC#CCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000135191021	388483881	/nfs/dbraw/zinc/48/38/81/388483881.db2.gz	UHCXMEVXPBJQHL-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C=CCC1(C(=O)NCc2nn[nH]n2)CCCC1	ZINC000648931408	388505320	/nfs/dbraw/zinc/50/53/20/388505320.db2.gz	IINBNUNTMMZLDG-UHFFFAOYSA-N	0	1	235.291	0.952	20	30		BCEDMN
C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000530026455	388606110	/nfs/dbraw/zinc/60/61/10/388606110.db2.gz	IPABDHBMYLDWDZ-NWDGAFQWSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=C[C@H](O)C(=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000646814654	388551312	/nfs/dbraw/zinc/55/13/12/388551312.db2.gz	JKCKOMQOSOKORU-JTQLQIEISA-N	0	1	244.254	0.957	20	30		BCEDMN
CN(C)CCN(C)S(=O)(=O)CCCCC#N	ZINC000081061219	388567357	/nfs/dbraw/zinc/56/73/57/388567357.db2.gz	SNYAPAUMQZTOGS-UHFFFAOYSA-N	0	1	247.364	0.503	20	30		BCEDMN
C=CCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000522000225	388673602	/nfs/dbraw/zinc/67/36/02/388673602.db2.gz	IFNMUTJJAGTRPJ-UHFFFAOYSA-N	0	1	205.217	0.374	20	30		BCEDMN
CCN1CCN(c2ccnc(C#N)n2)[C@@H](C)C1	ZINC000517960365	388661596	/nfs/dbraw/zinc/66/15/96/388661596.db2.gz	IMWPAGQVHKXSIG-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cnccc3C#N)C[C@H]21	ZINC000329097499	388744274	/nfs/dbraw/zinc/74/42/74/388744274.db2.gz	LPYRPAKPCJNLNY-OLZOCXBDSA-N	0	1	244.298	0.472	20	30		BCEDMN
C=C(CC)CN1CC[C@@H](S(=O)(=O)NC)C1	ZINC000539114396	388748674	/nfs/dbraw/zinc/74/86/74/388748674.db2.gz	DKEXOBTWKDTCHX-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
CSCC[C@H](C)[N@@H+](C)CC(=O)NCC#N	ZINC000126575085	388698586	/nfs/dbraw/zinc/69/85/86/388698586.db2.gz	DWJFIIGSXWNZLZ-VIFPVBQESA-N	0	1	229.349	0.700	20	30		BCEDMN
CSCC[C@H](C)N(C)CC(=O)NCC#N	ZINC000126575085	388698589	/nfs/dbraw/zinc/69/85/89/388698589.db2.gz	DWJFIIGSXWNZLZ-VIFPVBQESA-N	0	1	229.349	0.700	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2ncncc2C#N)n[nH]1	ZINC000392457580	388807218	/nfs/dbraw/zinc/80/72/18/388807218.db2.gz	AVAMPNBVRUKYGT-ZCFIWIBFSA-N	0	1	229.247	0.370	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CCOC[C@@H]2C#N)C1	ZINC000553492979	388778188	/nfs/dbraw/zinc/77/81/88/388778188.db2.gz	MSDPLPGMGKZOFG-QWRGUYRKSA-N	0	1	237.303	0.079	20	30		BCEDMN
N#Cc1ccc(N2CCN(CCCO)CC2)cn1	ZINC000125567697	388791042	/nfs/dbraw/zinc/79/10/42/388791042.db2.gz	NBWHRWWXWMTPBZ-UHFFFAOYSA-N	0	1	246.314	0.458	20	30		BCEDMN
COc1cc(C#N)ccc1CN(C)CCC(N)=O	ZINC000285394573	388835795	/nfs/dbraw/zinc/83/57/95/388835795.db2.gz	AKQFIDQRRDRAFP-UHFFFAOYSA-N	0	1	247.298	0.874	20	30		BCEDMN
CCOCC[C@@H](O)CNCC1(C#N)CC1	ZINC000564864501	388895830	/nfs/dbraw/zinc/89/58/30/388895830.db2.gz	OSSGYAUEDAFEJI-SNVBAGLBSA-N	0	1	212.293	0.667	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(C)CCC(N)=O	ZINC000353175095	533497585	/nfs/dbraw/zinc/49/75/85/533497585.db2.gz	RVPINNRDSYNTKU-UHFFFAOYSA-N	0	1	241.335	0.218	20	30		BCEDMN
C[C@@H](O)CCN(C)[C@H](C)C(=O)N(C)CCC#N	ZINC000304308433	533612395	/nfs/dbraw/zinc/61/23/95/533612395.db2.gz	KZGPQWZOYGWPQF-GHMZBOCLSA-N	0	1	241.335	0.450	20	30		BCEDMN
CCN1CCN(c2nccc(C#N)n2)[C@@H](C)C1	ZINC000295739343	132220909	/nfs/dbraw/zinc/22/09/09/132220909.db2.gz	XWNMZHZINJFUPD-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@@H]1CN(c2ccc(C#N)nc2)CCN1CCO	ZINC000302451542	132263640	/nfs/dbraw/zinc/26/36/40/132263640.db2.gz	SHYKEXOXLOZBOI-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000163781613	133568729	/nfs/dbraw/zinc/56/87/29/133568729.db2.gz	QZEBTEWKBQFJSQ-TXEJJXNPSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCOCC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000343358784	133677084	/nfs/dbraw/zinc/67/70/84/133677084.db2.gz	JFMQLWJKSFAEHG-SSDOTTSWSA-N	0	1	224.264	0.493	20	30		BCEDMN
O=C(NCc1cnc[nH]1)c1cc2n(n1)CCCO2	ZINC000330350426	134005871	/nfs/dbraw/zinc/00/58/71/134005871.db2.gz	LBJJKWNPZPUKMY-UHFFFAOYSA-N	0	1	247.258	0.894	20	30		BCEDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)CC#N	ZINC000336023599	134056348	/nfs/dbraw/zinc/05/63/48/134056348.db2.gz	ONYRVBHCMKTZAN-JTQLQIEISA-N	0	1	209.293	0.699	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1ccc(C#N)[nH]1	ZINC000336029127	134058068	/nfs/dbraw/zinc/05/80/68/134058068.db2.gz	QGMAVHBOOFUMDZ-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CC)C[C@@H](C)O	ZINC000352219140	134109041	/nfs/dbraw/zinc/10/90/41/134109041.db2.gz	BUAIRJKWSQLHNR-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
C[C@H](C#N)NC(=O)[C@H]1CCCN1C1CC1	ZINC000336454180	134147827	/nfs/dbraw/zinc/14/78/27/134147827.db2.gz	GCXLGTPGYUJTSC-PSASIEDQSA-N	0	1	207.277	0.641	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000035297787	134161542	/nfs/dbraw/zinc/16/15/42/134161542.db2.gz	GNSZFAYASSIDOP-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000035297787	134161543	/nfs/dbraw/zinc/16/15/43/134161543.db2.gz	GNSZFAYASSIDOP-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
Cc1cn[nH]c1CN1CC(O)(CC#N)C1	ZINC000356417317	134177987	/nfs/dbraw/zinc/17/79/87/134177987.db2.gz	FGASJLXCWOPVIX-UHFFFAOYSA-N	0	1	206.249	0.179	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000357652217	134184864	/nfs/dbraw/zinc/18/48/64/134184864.db2.gz	WMRXLEPCCRBIRC-LURJTMIESA-N	0	1	235.199	0.942	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@]2(C#N)CCOC2)c1C	ZINC000358439962	134188069	/nfs/dbraw/zinc/18/80/69/134188069.db2.gz	CLVPCQKIZCVVDW-NSHDSACASA-N	0	1	234.259	0.439	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H]1CCN(C)C1	ZINC000360180376	134198910	/nfs/dbraw/zinc/19/89/10/134198910.db2.gz	ISKDLCOZXNTQDQ-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
N#CCCCC(=O)NCCN1CCCOCC1	ZINC000360447656	134200596	/nfs/dbraw/zinc/20/05/96/134200596.db2.gz	OGOZSFMFWHJBJO-UHFFFAOYSA-N	0	1	239.319	0.519	20	30		BCEDMN
C=CCOC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000360727214	134202027	/nfs/dbraw/zinc/20/20/27/134202027.db2.gz	VBLHRAJDGLLYBR-RKDXNWHRSA-N	0	1	240.259	0.006	20	30		BCEDMN
CO[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000361362957	134204525	/nfs/dbraw/zinc/20/45/25/134204525.db2.gz	XAXUCUGXPSWEGA-WDEREUQCSA-N	0	1	239.319	0.468	20	30		BCEDMN
C=CCCN1CC[C@H](CS(C)(=O)=O)C1	ZINC000367872528	134216433	/nfs/dbraw/zinc/21/64/33/134216433.db2.gz	GRBLANZXNRACMQ-JTQLQIEISA-N	0	1	217.334	0.929	20	30		BCEDMN
C[C@H]1CN(C2CCN(CC#N)CC2)CCO1	ZINC000373921980	134235190	/nfs/dbraw/zinc/23/51/90/134235190.db2.gz	RBNIIBFJMHGXTL-NSHDSACASA-N	0	1	223.320	0.695	20	30		BCEDMN
C=CCC[C@H](O)CN1CCNC(=O)[C@@H]1CCC	ZINC000305710054	134242074	/nfs/dbraw/zinc/24/20/74/134242074.db2.gz	DWQLPOPAAOYERM-RYUDHWBXSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCCOC(C)(C)C1	ZINC000377710594	134244883	/nfs/dbraw/zinc/24/48/83/134244883.db2.gz	WAGVJTPLZILZQF-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
CC#CCNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000378575660	134246268	/nfs/dbraw/zinc/24/62/68/134246268.db2.gz	YORQRIYAWVHXEQ-HTQZYQBOSA-N	0	1	204.233	0.048	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)NC[C@H](C)N(C)C1CC1	ZINC000218109186	134251376	/nfs/dbraw/zinc/25/13/76/134251376.db2.gz	PQBFFZGQIWYNRO-IUCAKERBSA-N	0	1	245.348	0.301	20	30		BCEDMN
CC[C@H](C#N)NC(=O)c1ccc2[nH]nnc2c1	ZINC000171004250	134254552	/nfs/dbraw/zinc/25/45/52/134254552.db2.gz	GJWYLAPDGZKWDC-MRVPVSSYSA-N	0	1	229.243	0.990	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@H](COC)C1	ZINC000177544558	134298874	/nfs/dbraw/zinc/29/88/74/134298874.db2.gz	ZORQUELZKPIJKX-NEPJUHHUSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCO[C@H](COC)C1	ZINC000177544558	134298875	/nfs/dbraw/zinc/29/88/75/134298875.db2.gz	ZORQUELZKPIJKX-NEPJUHHUSA-N	0	1	229.320	0.661	20	30		BCEDMN
CCNC(=O)CNCc1cc(C#N)n(C)c1	ZINC000189581122	134548351	/nfs/dbraw/zinc/54/83/51/134548351.db2.gz	YQBFSJPJYRZFLR-UHFFFAOYSA-N	0	1	220.276	0.122	20	30		BCEDMN
C=CCN(C)[C@@H](C)C(=O)NCCCOC	ZINC000121472453	134643030	/nfs/dbraw/zinc/64/30/30/134643030.db2.gz	GPKRYNYFQHHBHC-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C[C@@H](C#N)NC(=O)CN1CCC(C)CC1	ZINC000135324545	134741838	/nfs/dbraw/zinc/74/18/38/134741838.db2.gz	FJCKGUIQTHHXQR-JTQLQIEISA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CCN1CC[C@H](N2CCC[C@H](OC)C2)C1=O	ZINC000337136969	135001549	/nfs/dbraw/zinc/00/15/49/135001549.db2.gz	NPSNZWZXNOTUEG-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC[C@H](OC)C2)C1=O	ZINC000337136968	135001996	/nfs/dbraw/zinc/00/19/96/135001996.db2.gz	NPSNZWZXNOTUEG-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CC2(CO)CC2)C1=O	ZINC000337207217	135007243	/nfs/dbraw/zinc/00/72/43/135007243.db2.gz	OBMBNQYCPTXMEG-NSHDSACASA-N	0	1	238.331	0.478	20	30		BCEDMN
C[C@@H](C#N)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000248444435	135009579	/nfs/dbraw/zinc/00/95/79/135009579.db2.gz	FZWIDDGGNRZOTO-STQMWFEESA-N	0	1	237.347	0.943	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@H]2CCCN2C2CC2)C1	ZINC000335712651	135026262	/nfs/dbraw/zinc/02/62/62/135026262.db2.gz	GGBRVWWEDOKJRU-LLVKDONJSA-N	0	1	233.315	0.985	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@@]2(CCOC2)C1	ZINC000249020165	135030053	/nfs/dbraw/zinc/03/00/53/135030053.db2.gz	QMULUMMIUZBVAP-STQMWFEESA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCOC[C@H](C)C1	ZINC000338256883	135030141	/nfs/dbraw/zinc/03/01/41/135030141.db2.gz	WKDUQMJJRKDKOT-GHMZBOCLSA-N	0	1	226.320	0.645	20	30		BCEDMN
CN(CCOCCC#N)[C@@H]1CCN(C)C1=O	ZINC000339001838	135051769	/nfs/dbraw/zinc/05/17/69/135051769.db2.gz	SJKAITZOMREWJW-SNVBAGLBSA-N	0	1	225.292	0.079	20	30		BCEDMN
C=CCOCCN(C)[C@@H](C)C[S@@](C)=O	ZINC000339082358	135056986	/nfs/dbraw/zinc/05/69/86/135056986.db2.gz	CYPQUQKZYBAPFS-IINYFYTJSA-N	0	1	219.350	0.888	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCN3CCOC[C@H]3C2)C1	ZINC000339088700	135057273	/nfs/dbraw/zinc/05/72/73/135057273.db2.gz	LNXBWXDMRUGENM-FRRDWIJNSA-N	0	1	235.331	0.695	20	30		BCEDMN
C[C@H]1CCN(CCOCCC#N)[C@H](C(N)=O)C1	ZINC000339100196	135059274	/nfs/dbraw/zinc/05/92/74/135059274.db2.gz	VUTZMDRJODHMHR-QWRGUYRKSA-N	0	1	239.319	0.502	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC#N)[C@H](C)C1	ZINC000077319766	135063533	/nfs/dbraw/zinc/06/35/33/135063533.db2.gz	ASNLFBQQVICKPE-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
Cn1nc2c(cc1=O)CN(CCCC#N)CC2	ZINC000078621070	135131453	/nfs/dbraw/zinc/13/14/53/135131453.db2.gz	OIKRAFCUESEFKB-UHFFFAOYSA-N	0	1	232.287	0.442	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CSc1nnc(C)[nH]1	ZINC000266857192	135150206	/nfs/dbraw/zinc/15/02/06/135150206.db2.gz	TTXWKMGFNOZLHE-ZETCQYMHSA-N	0	1	239.304	0.624	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CSc1nc(C)n[nH]1	ZINC000266857192	135150208	/nfs/dbraw/zinc/15/02/08/135150208.db2.gz	TTXWKMGFNOZLHE-ZETCQYMHSA-N	0	1	239.304	0.624	20	30		BCEDMN
CC#CCN(C)CCn1ccc([N+](=O)[O-])n1	ZINC000293193743	135179384	/nfs/dbraw/zinc/17/93/84/135179384.db2.gz	QIABSNQPIUEJKZ-UHFFFAOYSA-N	0	1	222.248	0.746	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1ncc(C)o1	ZINC000296533806	135191705	/nfs/dbraw/zinc/19/17/05/135191705.db2.gz	IKPADJMYWFNWBY-UHFFFAOYSA-N	0	1	235.287	0.668	20	30		BCEDMN
CN(C)CC(=O)N(CCC#N)CCC#N	ZINC000299096887	135201939	/nfs/dbraw/zinc/20/19/39/135201939.db2.gz	PMSPVJDVLNZZRU-UHFFFAOYSA-N	0	1	208.265	0.204	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCc1ccncc1	ZINC000121519368	135224972	/nfs/dbraw/zinc/22/49/72/135224972.db2.gz	TYQSWQQGWYTBIP-LBPRGKRZSA-N	0	1	245.326	0.694	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@@H]1C	ZINC000340921309	135232525	/nfs/dbraw/zinc/23/25/25/135232525.db2.gz	KYBPSZKKTGUCAZ-QWRGUYRKSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCOC(=O)C(C)(C)N(C)C(=O)C(C)C#N	ZINC000341513902	135239783	/nfs/dbraw/zinc/23/97/83/135239783.db2.gz	LTCOFJFWIRBCIZ-MRVPVSSYSA-N	0	1	226.276	0.946	20	30		BCEDMN
CC[C@H](C)NC(=[NH2+])NCc1ncccc1[O-]	ZINC000262411900	135295557	/nfs/dbraw/zinc/29/55/57/135295557.db2.gz	SNQWUKGCMLFYBO-QMMMGPOBSA-N	0	1	222.292	0.990	20	30		BCEDMN
CC#CCNC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000334329667	135354764	/nfs/dbraw/zinc/35/47/64/135354764.db2.gz	NYLNLIJGBKMCNH-SECBINFHSA-N	0	1	217.272	0.969	20	30		BCEDMN
C=CCN1CC[C@H](N2C[C@H](O)C3(CC3)C2)C1=O	ZINC000334346362	135363883	/nfs/dbraw/zinc/36/38/83/135363883.db2.gz	VXHXPFSAWVAVAM-QWRGUYRKSA-N	0	1	236.315	0.230	20	30		BCEDMN
C=CCNC(=O)CNCc1cnccc1C	ZINC000280417222	135368751	/nfs/dbraw/zinc/36/87/51/135368751.db2.gz	WQMQBHWLWDTAIE-UHFFFAOYSA-N	0	1	219.288	0.782	20	30		BCEDMN
C=CCN1CC[C@H](N(C)Cc2n[nH]c(C)n2)C1=O	ZINC000282033555	135515248	/nfs/dbraw/zinc/51/52/48/135515248.db2.gz	QHYPIRODJOBKKB-JTQLQIEISA-N	0	1	249.318	0.332	20	30		BCEDMN
CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000344707255	135792684	/nfs/dbraw/zinc/79/26/84/135792684.db2.gz	PXUMSTGJPSFFRZ-YIZRAAEISA-N	0	1	226.276	0.850	20	30		BCEDMN
C#CCNC(=O)[C@@]1(N(C)C)CCCSC1	ZINC000366927061	135912990	/nfs/dbraw/zinc/91/29/90/135912990.db2.gz	XZHHFVKSTGYPRF-LLVKDONJSA-N	0	1	226.345	0.563	20	30		BCEDMN
C=CCOCCCN1CCO[C@@H](COC)C1	ZINC000348063950	136025190	/nfs/dbraw/zinc/02/51/90/136025190.db2.gz	WUOILLRLOXSFBL-GFCCVEGCSA-N	0	1	229.320	0.926	20	30		BCEDMN
C=CCOCCCN1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000348027819	136026664	/nfs/dbraw/zinc/02/66/64/136026664.db2.gz	FWUGQOJLZVYLGV-GHMZBOCLSA-N	0	1	242.319	0.154	20	30		BCEDMN
N#CC1(C(=O)NC2(c3nn[nH]n3)CC2)CCCC1	ZINC000348272272	136058808	/nfs/dbraw/zinc/05/88/08/136058808.db2.gz	BIGLHKBNHQTMSF-UHFFFAOYSA-N	0	1	246.274	0.389	20	30		BCEDMN
N#CCNC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21	ZINC000335399629	136093786	/nfs/dbraw/zinc/09/37/86/136093786.db2.gz	LFOMYPGLHAASKK-ZJUUUORDSA-N	0	1	207.277	0.501	20	30		BCEDMN
C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000446359667	397947447	/nfs/dbraw/zinc/94/74/47/397947447.db2.gz	KYELNVGFNBFANR-PHIMTYICSA-N	0	1	224.304	0.542	20	30		BCEDMN
Cn1ccc(CN2CC[C@@](O)(CC#N)C2)c1	ZINC000592523376	397951058	/nfs/dbraw/zinc/95/10/58/397951058.db2.gz	ZFPDDRZDMQQASU-LBPRGKRZSA-N	0	1	219.288	0.876	20	30		BCEDMN
Cn1ccc(CN2CC[C@](O)(CC#N)C2)c1	ZINC000592523375	397951084	/nfs/dbraw/zinc/95/10/84/397951084.db2.gz	ZFPDDRZDMQQASU-GFCCVEGCSA-N	0	1	219.288	0.876	20	30		BCEDMN
C#CCN1CCC(C(=O)O[C@@H](C)COC)CC1	ZINC000491506277	398044550	/nfs/dbraw/zinc/04/45/50/398044550.db2.gz	OQTVKTAMPIUPLJ-NSHDSACASA-N	0	1	239.315	0.910	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H]1C[C@@H](C)n2ccnc21	ZINC000491535140	398047530	/nfs/dbraw/zinc/04/75/30/398047530.db2.gz	AEERLZFVDJVECE-GHMZBOCLSA-N	0	1	246.314	0.618	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@@H](C)S[C@@H](C)C1	ZINC000490678304	398027167	/nfs/dbraw/zinc/02/71/67/398027167.db2.gz	NFTNWGYTFODZBI-AXFHLTTASA-N	0	1	240.372	0.950	20	30		BCEDMN
C[C@H](CCC#N)N1CCn2c(n[nH]c2=O)C1	ZINC000564733231	398040718	/nfs/dbraw/zinc/04/07/18/398040718.db2.gz	WVGGMXWLVMMFES-MRVPVSSYSA-N	0	1	221.264	0.492	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCO[C@H](C)C1	ZINC000245406459	398115749	/nfs/dbraw/zinc/11/57/49/398115749.db2.gz	XKDVSEWMGPJAGU-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCNC(=O)CN1CCC([C@@H](C)CO)CC1	ZINC000649805375	398112874	/nfs/dbraw/zinc/11/28/74/398112874.db2.gz	UDSQKQOQNCBFPM-NSHDSACASA-N	0	1	240.347	0.629	20	30		BCEDMN
C[C@@H]1CN(c2ccc(C#N)nn2)[C@@H](C)CN1C	ZINC000611256825	398125854	/nfs/dbraw/zinc/12/58/54/398125854.db2.gz	AONOIJOQLFEHBX-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCN(C)Cc1ccc(S(N)(=O)=O)cc1	ZINC000685610808	487562926	/nfs/dbraw/zinc/56/29/26/487562926.db2.gz	MYXZYEMKBPBYHO-UHFFFAOYSA-N	0	1	240.328	0.952	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(CC)[C@H](C)C1	ZINC000685797683	487579177	/nfs/dbraw/zinc/57/91/77/487579177.db2.gz	KVJMUMLVMORTKU-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCN(CC)[C@H](C)C1	ZINC000685797681	487579212	/nfs/dbraw/zinc/57/92/12/487579212.db2.gz	KVJMUMLVMORTKU-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H]1COC	ZINC000674466995	487582460	/nfs/dbraw/zinc/58/24/60/487582460.db2.gz	QDRNYCUIRCASTM-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H]1COC	ZINC000674467002	487582524	/nfs/dbraw/zinc/58/25/24/487582524.db2.gz	QDRNYCUIRCASTM-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C[C@H]1CN(C(=O)C2(C#N)CCCC2)CCN1	ZINC000568152567	322916320	/nfs/dbraw/zinc/91/63/20/322916320.db2.gz	AJCALZJGOALSLF-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CC(C)(C)NC(=O)CSc1nnc(C)[nH]1	ZINC000266872380	166111775	/nfs/dbraw/zinc/11/17/75/166111775.db2.gz	XYNKETLGLYRBER-UHFFFAOYSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#CC(C)(C)NC(=O)CSc1nc(C)n[nH]1	ZINC000266872380	166111777	/nfs/dbraw/zinc/11/17/77/166111777.db2.gz	XYNKETLGLYRBER-UHFFFAOYSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000270657487	166136890	/nfs/dbraw/zinc/13/68/90/166136890.db2.gz	VBORIEAVLGBDMP-MNOVXSKESA-N	0	1	206.289	0.753	20	30		BCEDMN
C=CCOCC[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000660841232	409832440	/nfs/dbraw/zinc/83/24/40/409832440.db2.gz	CEBSIWJPEQYCJA-UHFFFAOYSA-N	0	1	213.237	0.410	20	30		BCEDMN
C=CCOCC[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000660841232	409832444	/nfs/dbraw/zinc/83/24/44/409832444.db2.gz	CEBSIWJPEQYCJA-UHFFFAOYSA-N	0	1	213.237	0.410	20	30		BCEDMN
C=C[C@@H](C)NC(=O)N(C)CC1CN(C)C1	ZINC000660881549	409923378	/nfs/dbraw/zinc/92/33/78/409923378.db2.gz	MVYKROAVTOAVLD-SECBINFHSA-N	0	1	211.309	0.764	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H](C)CN1CCOCC1	ZINC000270893214	166162841	/nfs/dbraw/zinc/16/28/41/166162841.db2.gz	CZSBVTKUTXTAGV-CYBMUJFWSA-N	0	1	248.326	0.050	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1cnn(C)c1	ZINC000273417597	166182549	/nfs/dbraw/zinc/18/25/49/166182549.db2.gz	UVCPREIRHSFGQJ-NXEZZACHSA-N	0	1	234.303	0.209	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000275511900	166210595	/nfs/dbraw/zinc/21/05/95/166210595.db2.gz	OWBHDNKZUMQKOY-MRVPVSSYSA-N	0	1	243.270	0.562	20	30		BCEDMN
C#C[C@@H](C)NCc1cccc(C(N)=O)c1	ZINC000166453670	166211206	/nfs/dbraw/zinc/21/12/06/166211206.db2.gz	OWYUROUCFWBRAI-SECBINFHSA-N	0	1	202.257	0.897	20	30		BCEDMN
C=CCCN1CCCN(CCOC)C(=O)C1	ZINC000338538406	166263403	/nfs/dbraw/zinc/26/34/03/166263403.db2.gz	AGNSKVBSPFAVFP-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C=CCCN1CCN(c2nc(N)ns2)CC1	ZINC000268334825	166265286	/nfs/dbraw/zinc/26/52/86/166265286.db2.gz	YOXSRJNFZRFUTF-UHFFFAOYSA-N	0	1	239.348	0.818	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)[C@@H]1CCN(C)C1=O	ZINC000268597149	166296839	/nfs/dbraw/zinc/29/68/39/166296839.db2.gz	WTXKCZMWXQUFKX-GHMZBOCLSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H](C)O	ZINC000159503600	166330597	/nfs/dbraw/zinc/33/05/97/166330597.db2.gz	UIEQDWFIAUVOKS-NEPJUHHUSA-N	0	1	240.347	0.888	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](COC)[C@H]1CCCO1	ZINC000279087934	166370493	/nfs/dbraw/zinc/37/04/93/166370493.db2.gz	OVXJVXGBCWRGOV-WDEREUQCSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1	ZINC000279700473	166381597	/nfs/dbraw/zinc/38/15/97/166381597.db2.gz	GYPFWJZULRKTNY-NXEZZACHSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)C(C)(C)C1	ZINC000279700473	166381600	/nfs/dbraw/zinc/38/16/00/166381600.db2.gz	GYPFWJZULRKTNY-NXEZZACHSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1	ZINC000368800369	166381899	/nfs/dbraw/zinc/38/18/99/166381899.db2.gz	NSZBGHFWOYHHPH-NXEZZACHSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1C[C@@H](O)C2(CC2)C1	ZINC000368800369	166381900	/nfs/dbraw/zinc/38/19/00/166381900.db2.gz	NSZBGHFWOYHHPH-NXEZZACHSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1	ZINC000170687933	166382955	/nfs/dbraw/zinc/38/29/55/166382955.db2.gz	SVIQARWVTKJAOQ-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCO1	ZINC000170687933	166382957	/nfs/dbraw/zinc/38/29/57/166382957.db2.gz	SVIQARWVTKJAOQ-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC[C@H](O)C1	ZINC000048776066	166387510	/nfs/dbraw/zinc/38/75/10/166387510.db2.gz	VQEAXYZJNAPEMI-UWVGGRQHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@H](O)C2(CC2)C1	ZINC000368800370	166388204	/nfs/dbraw/zinc/38/82/04/166388204.db2.gz	NSZBGHFWOYHHPH-UWVGGRQHSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCCN1C	ZINC000651073304	410782690	/nfs/dbraw/zinc/78/26/90/410782690.db2.gz	WMHMKRUFSGJKTQ-UTUOFQBUSA-N	0	1	238.331	0.930	20	30		BCEDMN
C#CCN(C)CCn1c(C)csc1=O	ZINC000192224185	411185961	/nfs/dbraw/zinc/18/59/61/411185961.db2.gz	YBQQRWWOVKLTTA-UHFFFAOYSA-N	0	1	210.302	0.783	20	30		BCEDMN
CCOCCCN1CCN(CCC#N)CC1	ZINC000049820216	411245440	/nfs/dbraw/zinc/24/54/40/411245440.db2.gz	MPIDZWXLJBHYNM-UHFFFAOYSA-N	0	1	225.336	0.944	20	30		BCEDMN
Cc1nc2cccc(C(=O)N[C@@H](C#N)CO)c2[nH]1	ZINC000597736855	411209866	/nfs/dbraw/zinc/20/98/66/411209866.db2.gz	GZDYFIKDSXHAQJ-QMMMGPOBSA-N	0	1	244.254	0.486	20	30		BCEDMN
C=CCN1CC[C@H](N(C[C@@H](C)O)C2CC2)C1=O	ZINC000653902530	411217540	/nfs/dbraw/zinc/21/75/40/411217540.db2.gz	VQLGKBVMJHZHMP-PWSUYJOCSA-N	0	1	238.331	0.619	20	30		BCEDMN
N#CC1CN(C(=O)c2cc(C(F)F)[nH]n2)C1	ZINC000603056640	411301750	/nfs/dbraw/zinc/30/17/50/411301750.db2.gz	JSJDSBILCFKIFK-UHFFFAOYSA-N	0	1	226.186	0.943	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N[C@H](C)CCC	ZINC000662165794	411370683	/nfs/dbraw/zinc/37/06/83/411370683.db2.gz	OZFIGPOHPDUDOM-GMTAPVOTSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](C)O)nn1	ZINC000657284646	411443399	/nfs/dbraw/zinc/44/33/99/411443399.db2.gz	RPGLVIRUXAJWMI-VIFPVBQESA-N	0	1	210.281	0.325	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](O)CC)nn1	ZINC000657471865	411523034	/nfs/dbraw/zinc/52/30/34/411523034.db2.gz	IRELGGGHQYOULM-NSHDSACASA-N	0	1	224.308	0.715	20	30		BCEDMN
CCOC(=O)c1cc(NC(=O)[C@H](C)C#N)n[nH]1	ZINC000542834457	411685982	/nfs/dbraw/zinc/68/59/82/411685982.db2.gz	GWWMAHIGPMVLAP-ZCFIWIBFSA-N	0	1	236.231	0.685	20	30		BCEDMN
CC#CCNC(=O)N(C)CC1CN(C)C1	ZINC000660964775	411688300	/nfs/dbraw/zinc/68/83/00/411688300.db2.gz	RGHIZBNSMLETTD-UHFFFAOYSA-N	0	1	209.293	0.213	20	30		BCEDMN
Cc1ccc(NCCc2nc[nH]n2)nc1C#N	ZINC000344936719	411693036	/nfs/dbraw/zinc/69/30/36/411693036.db2.gz	BSFBQMWNBPUXQT-UHFFFAOYSA-N	0	1	228.259	1.034	20	30		BCEDMN
Cc1nc(CCNc2nc(C)cc(C#N)n2)n[nH]1	ZINC000342551928	411761104	/nfs/dbraw/zinc/76/11/04/411761104.db2.gz	ZOJWAEZEOCFCPA-UHFFFAOYSA-N	0	1	243.274	0.738	20	30		BCEDMN
Cc1nnc(CCNc2nc(C)cc(C#N)n2)[nH]1	ZINC000342551928	411761107	/nfs/dbraw/zinc/76/11/07/411761107.db2.gz	ZOJWAEZEOCFCPA-UHFFFAOYSA-N	0	1	243.274	0.738	20	30		BCEDMN
CN(Cc1cc(C#N)n(C)c1)Cc1nnc[nH]1	ZINC000361554605	487620560	/nfs/dbraw/zinc/62/05/60/487620560.db2.gz	UMSUZEDTSLHDOR-UHFFFAOYSA-N	0	1	230.275	0.647	20	30		BCEDMN
C=CCOCC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000661595517	411810301	/nfs/dbraw/zinc/81/03/01/411810301.db2.gz	CFZTUADJRHXKQT-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
CC(=O)CN(C)CCCc1[nH]nc(N)c1C#N	ZINC000639548534	411855979	/nfs/dbraw/zinc/85/59/79/411855979.db2.gz	JLYVCKBAWMNAAH-UHFFFAOYSA-N	0	1	235.291	0.317	20	30		BCEDMN
CC#CCN1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000662013937	411941962	/nfs/dbraw/zinc/94/19/62/411941962.db2.gz	XBTPGVQEGZPRIL-LLVKDONJSA-N	0	1	223.320	0.697	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O	ZINC000661775350	411884004	/nfs/dbraw/zinc/88/40/04/411884004.db2.gz	YBPTZISKOCCTAO-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCCCC	ZINC000662165280	412014253	/nfs/dbraw/zinc/01/42/53/412014253.db2.gz	CRCRKDGFQSPAEM-VHSXEESVSA-N	0	1	214.309	0.428	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCN(C(C)C)C1=O	ZINC000662166737	412014553	/nfs/dbraw/zinc/01/45/53/412014553.db2.gz	FOJBKJGWRHVTFJ-NXEZZACHSA-N	0	1	212.293	0.132	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C=C)CO	ZINC000662165632	412014923	/nfs/dbraw/zinc/01/49/23/412014923.db2.gz	LPZZTYYKXLKEIN-VXGBXAGGSA-N	0	1	238.331	0.712	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N1CCCCCC1	ZINC000662165980	412015096	/nfs/dbraw/zinc/01/50/96/412015096.db2.gz	RBNYTAUFVMKDPZ-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N(CC)CC	ZINC000662165333	412015290	/nfs/dbraw/zinc/01/52/90/412015290.db2.gz	DTCHHTJSGZIVNC-VHSXEESVSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCC[C@@H]1CC	ZINC000662167754	412016457	/nfs/dbraw/zinc/01/64/57/412016457.db2.gz	OPRWSDHRPAEIDU-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCN(C(C)C)C1=O	ZINC000662166814	412016867	/nfs/dbraw/zinc/01/68/67/412016867.db2.gz	HSMSDOQOFFMSNN-GHMZBOCLSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1C[C@H]2CCCC[C@H]2NC1=O	ZINC000662168939	412018104	/nfs/dbraw/zinc/01/81/04/412018104.db2.gz	ZOSKESXWZQMKTK-DDHJBXDOSA-N	0	1	238.331	0.570	20	30		BCEDMN
C=CC[NH+](CC=C)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000662201136	412025210	/nfs/dbraw/zinc/02/52/10/412025210.db2.gz	PBVXXQVKIZXLTN-SNVBAGLBSA-N	0	1	238.287	0.346	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)[O-]	ZINC000662215683	412030040	/nfs/dbraw/zinc/03/00/40/412030040.db2.gz	HTUGISIMDXWVMB-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)[O-]	ZINC000662215683	412030042	/nfs/dbraw/zinc/03/00/42/412030042.db2.gz	HTUGISIMDXWVMB-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCCN(C)CC1	ZINC000665161275	412115733	/nfs/dbraw/zinc/11/57/33/412115733.db2.gz	BITQNULUYMMYCK-NSHDSACASA-N	0	1	212.293	0.088	20	30		BCEDMN
CN(C)c1nc(NCc2ccc(C#N)cc2)n[nH]1	ZINC000346665692	412199368	/nfs/dbraw/zinc/19/93/68/412199368.db2.gz	PEJXTMFRLFXGKZ-UHFFFAOYSA-N	0	1	242.286	1.354	20	30		BCEDMN
CN(C)c1nc(NCc2cccc(C#N)c2)n[nH]1	ZINC000346669016	412199440	/nfs/dbraw/zinc/19/94/40/412199440.db2.gz	WRBUDSAOUHXICW-UHFFFAOYSA-N	0	1	242.286	1.354	20	30		BCEDMN
CC(C)c1nc(CNc2ccc(C#N)nn2)n[nH]1	ZINC000596249713	412322641	/nfs/dbraw/zinc/32/26/41/412322641.db2.gz	KCSDSCNYTFHJDK-UHFFFAOYSA-N	0	1	243.274	1.202	20	30		BCEDMN
C=CCC1(NC(=O)[C@@H](N)COC)CCCC1	ZINC000662887966	412336079	/nfs/dbraw/zinc/33/60/79/412336079.db2.gz	BSRRBJXZNFDWFZ-JTQLQIEISA-N	0	1	226.320	0.965	20	30		BCEDMN
Cc1cc(NC(=O)CCNC[C@@H](C)C#N)no1	ZINC000565535464	412341793	/nfs/dbraw/zinc/34/17/93/412341793.db2.gz	HVCLVBDNBQOMAU-QMMMGPOBSA-N	0	1	236.275	1.061	20	30		BCEDMN
CN(C)C(=O)CCN[C@@H]1CCC[C@@H]1C#N	ZINC000054828034	172360261	/nfs/dbraw/zinc/36/02/61/172360261.db2.gz	BQHHYQLPYLKQRW-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CN1CCCN(C(=O)c2cnccc2C#N)CC1	ZINC000332243120	173014252	/nfs/dbraw/zinc/01/42/52/173014252.db2.gz	WDVVFJJPUVNFKC-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
CN1CCN(CCNc2cccc(C#N)n2)CC1	ZINC000080117345	173081386	/nfs/dbraw/zinc/08/13/86/173081386.db2.gz	CKFPORHYNBUDFJ-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cccnc3C#N)C[C@H]21	ZINC000329704730	173105481	/nfs/dbraw/zinc/10/54/81/173105481.db2.gz	IXLASTHSJXSDST-CHWSQXEVSA-N	0	1	244.298	0.472	20	30		BCEDMN
CNC(=O)CNCc1ccc(C#N)c(C)c1	ZINC000336762827	173277295	/nfs/dbraw/zinc/27/72/95/173277295.db2.gz	LTYBLVFCDCQWQZ-UHFFFAOYSA-N	0	1	217.272	0.702	20	30		BCEDMN
COCCN(C)Cc1cc(C#N)n(C)c1	ZINC000276806053	174280818	/nfs/dbraw/zinc/28/08/18/174280818.db2.gz	WVUGNBVJYLAFQO-UHFFFAOYSA-N	0	1	207.277	0.975	20	30		BCEDMN
COc1cccc(C(=O)Nc2nn[nH]n2)n1	ZINC000028260684	175240131	/nfs/dbraw/zinc/24/01/31/175240131.db2.gz	JRVPFFCILLAUJZ-UHFFFAOYSA-N	0	1	220.192	0.240	20	30		BCEDMN
C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000346229245	175699826	/nfs/dbraw/zinc/69/98/26/175699826.db2.gz	RZFJBEXWOFRNCD-VIFPVBQESA-N	0	1	247.298	0.944	20	30		BCEDMN
C=CCN(CC=C)S(=O)(=O)c1ncc[nH]1	ZINC000149097480	487689884	/nfs/dbraw/zinc/68/98/84/487689884.db2.gz	AVNZFZSWQHNVLK-UHFFFAOYSA-N	0	1	227.289	0.772	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)[C@@H]1CCN(C)C1=O	ZINC000671708389	487700216	/nfs/dbraw/zinc/70/02/16/487700216.db2.gz	PHSDPAAKEAPYRR-ZJUUUORDSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)NCc1nn[nH]n1	ZINC000681045518	487705965	/nfs/dbraw/zinc/70/59/65/487705965.db2.gz	RNQNUCAHUJWVBL-SSDOTTSWSA-N	0	1	209.253	0.418	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NCc1nn[nH]n1	ZINC000681045523	487706030	/nfs/dbraw/zinc/70/60/30/487706030.db2.gz	RNQNUCAHUJWVBL-ZETCQYMHSA-N	0	1	209.253	0.418	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@]2(CCOC2)C1	ZINC000681098773	487721911	/nfs/dbraw/zinc/72/19/11/487721911.db2.gz	DOVKARFNYYKZHO-NWDGAFQWSA-N	0	1	227.304	0.415	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@@H]1CCCO1	ZINC000328658487	487725361	/nfs/dbraw/zinc/72/53/61/487725361.db2.gz	RDBMCWDYVYGNMH-JTQLQIEISA-N	0	1	227.308	0.375	20	30		BCEDMN
C=CCCN1CCN(c2nnc(C)n2C)CC1	ZINC000669775586	487749569	/nfs/dbraw/zinc/74/95/69/487749569.db2.gz	ZHQJAPRLRVKGBJ-UHFFFAOYSA-N	0	1	235.335	0.822	20	30		BCEDMN
CCC#C[C@@H](C)N1CCn2c(n[nH]c2=O)C1	ZINC000681220668	487750390	/nfs/dbraw/zinc/75/03/90/487750390.db2.gz	HDRXJXNXSNGDAJ-SECBINFHSA-N	0	1	220.276	0.601	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000666428258	487804724	/nfs/dbraw/zinc/80/47/24/487804724.db2.gz	LVSZJMRXWUBCDF-WCQYABFASA-N	0	1	240.347	0.914	20	30		BCEDMN
CCn1nccc1CCN1CC[C@](O)(CC#N)C1	ZINC000592153340	487807862	/nfs/dbraw/zinc/80/78/62/487807862.db2.gz	MANKIMYTOITZDP-CYBMUJFWSA-N	0	1	248.330	0.796	20	30		BCEDMN
C[N@H+](CCC#N)C[C@H]1CCN(C(=O)[O-])C1	ZINC000828274241	587430105	/nfs/dbraw/zinc/43/01/05/587430105.db2.gz	USULYVWJALLQOH-SECBINFHSA-N	0	1	211.265	0.832	20	30		BCEDMN
C[N@@H+](CCC#N)C[C@H]1CCN(C(=O)[O-])C1	ZINC000828274241	587430106	/nfs/dbraw/zinc/43/01/06/587430106.db2.gz	USULYVWJALLQOH-SECBINFHSA-N	0	1	211.265	0.832	20	30		BCEDMN
C#CCOCCN(CC)CC(=O)N(C)C	ZINC000851726969	588617965	/nfs/dbraw/zinc/61/79/65/588617965.db2.gz	YJUSBYGKDKRGHH-UHFFFAOYSA-N	0	1	212.293	0.046	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(C[C@H](C)O)CC1	ZINC000681699300	487842637	/nfs/dbraw/zinc/84/26/37/487842637.db2.gz	VFAHNRRCYQGOSU-OLZOCXBDSA-N	0	1	224.348	0.787	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)NCCCC#N	ZINC000595579025	487872298	/nfs/dbraw/zinc/87/22/98/487872298.db2.gz	FVXXBPIGFJATHV-UHFFFAOYSA-N	0	1	224.308	0.493	20	30		BCEDMN
C=CCCC(=O)N1CCN(CCO)C(C)(C)C1	ZINC000682005856	487877920	/nfs/dbraw/zinc/87/79/20/487877920.db2.gz	BJNJEQXLFNXLKF-UHFFFAOYSA-N	0	1	240.347	0.868	20	30		BCEDMN
COCC#CCN1CCC(CC(N)=O)CC1	ZINC000677132960	487890830	/nfs/dbraw/zinc/89/08/30/487890830.db2.gz	AXNDNNVQVFBQAC-UHFFFAOYSA-N	0	1	224.304	0.224	20	30		BCEDMN
CN(C[C@H](O)CC#N)C[C@H]1CCCCO1	ZINC000929329167	646081195	/nfs/dbraw/zinc/08/11/95/646081195.db2.gz	BESZPCGVKRJYLG-GHMZBOCLSA-N	0	1	212.293	0.762	20	30		BCEDMN
COCC#CCN1CC[C@H](O)C(C)(C)C1	ZINC000682089485	487908085	/nfs/dbraw/zinc/90/80/85/487908085.db2.gz	PZSZDNQZDLCXCM-NSHDSACASA-N	0	1	211.305	0.729	20	30		BCEDMN
O=C(NO)c1ccc(Cc2nc[nH]n2)cc1	ZINC000671995792	487924280	/nfs/dbraw/zinc/92/42/80/487924280.db2.gz	LAZDRBDEOWORSZ-UHFFFAOYSA-N	0	1	218.216	0.515	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)CCCC#N	ZINC000598155963	487936624	/nfs/dbraw/zinc/93/66/24/487936624.db2.gz	DECDLCOGVXGCMO-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
CCN1CCN(c2cc(C#N)ncn2)[C@@H](C)C1	ZINC000561356752	323000266	/nfs/dbraw/zinc/00/02/66/323000266.db2.gz	AHENTYJVSUOVAA-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(C#N)ncn1	ZINC000562419601	323019318	/nfs/dbraw/zinc/01/93/18/323019318.db2.gz	NBBQTNICAYYNIM-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H]1CN(c2cc(C#N)ncn2)[C@@H](C)CN1C	ZINC000562419601	323019319	/nfs/dbraw/zinc/01/93/19/323019319.db2.gz	NBBQTNICAYYNIM-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCCCCN1CCN(C(=O)[C@H](C)O)CC1	ZINC000562538773	323023752	/nfs/dbraw/zinc/02/37/52/323023752.db2.gz	QHEXNJAXMXNQNU-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
CCN1CCN(c2ccc(C#N)c(N)n2)CC1	ZINC000570175837	323052181	/nfs/dbraw/zinc/05/21/81/323052181.db2.gz	MIBNXIIXUCSWLH-UHFFFAOYSA-N	0	1	231.303	0.677	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN(C)[C@@H]1CCSC1	ZINC000535323157	323170809	/nfs/dbraw/zinc/17/08/09/323170809.db2.gz	YUXDOOCFNAQQOH-NXEZZACHSA-N	0	1	241.360	0.700	20	30		BCEDMN
C#CCN(CCC(=O)OC)C[C@@H]1CCCO1	ZINC000113200373	323173613	/nfs/dbraw/zinc/17/36/13/323173613.db2.gz	AIUBTRJJWHBUFU-NSHDSACASA-N	0	1	225.288	0.664	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000051908788	323191847	/nfs/dbraw/zinc/19/18/47/323191847.db2.gz	GRAZXSYWKZLDJV-LBPRGKRZSA-N	0	1	220.316	0.858	20	30		BCEDMN
N#Cc1nccc(NCc2n[nH]c(C3CC3)n2)n1	ZINC000563898425	323206827	/nfs/dbraw/zinc/20/68/27/323206827.db2.gz	JMYPWCDSVNGXPU-UHFFFAOYSA-N	0	1	241.258	0.378	20	30		BCEDMN
CCc1nc(NC(=O)c2ccc(C#N)cn2)n[nH]1	ZINC000123341820	324253982	/nfs/dbraw/zinc/25/39/82/324253982.db2.gz	BFIDHXLLEHQBOB-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2ccc(C#N)cn2)n1	ZINC000123341820	324253985	/nfs/dbraw/zinc/25/39/85/324253985.db2.gz	BFIDHXLLEHQBOB-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CS(=O)(=O)NCCN1CCC(CC#N)CC1	ZINC000541952364	325000836	/nfs/dbraw/zinc/00/08/36/325000836.db2.gz	QTCQJNZQOBZBOS-UHFFFAOYSA-N	0	1	245.348	0.161	20	30		BCEDMN
N#CCNC(=O)c1n[nH]c2ccccc21	ZINC000070287375	325004050	/nfs/dbraw/zinc/00/40/50/325004050.db2.gz	RECQEQALPHYWMQ-UHFFFAOYSA-N	0	1	200.201	0.816	20	30		BCEDMN
CN(C)C1CN(C(=O)C2(C#N)CCC2)C1	ZINC000134936246	325383734	/nfs/dbraw/zinc/38/37/34/325383734.db2.gz	ZCAVKFKUEJRAPJ-UHFFFAOYSA-N	0	1	207.277	0.453	20	30		BCEDMN
CC(C)(C(=O)N1CCO[C@@H](C#N)C1)c1c[nH]cn1	ZINC000547757660	325392746	/nfs/dbraw/zinc/39/27/46/325392746.db2.gz	KJZQUUDMIBEEDT-VIFPVBQESA-N	0	1	248.286	0.438	20	30		BCEDMN
N#Cc1cncnc1N[C@@H]1CCc2[nH]cnc2C1	ZINC000567162939	326126867	/nfs/dbraw/zinc/12/68/67/326126867.db2.gz	RUKWOLPBKWMRMW-SECBINFHSA-N	0	1	240.270	0.463	20	30		BCEDMN
N#Cc1cccc(OCCn2nnnc2CN)c1	ZINC000567382804	326180330	/nfs/dbraw/zinc/18/03/30/326180330.db2.gz	YOTUAMJXISWXMN-UHFFFAOYSA-N	0	1	244.258	0.082	20	30		BCEDMN
Cc1cc(CC(=O)NCC2(C#N)CC2)[nH]n1	ZINC000572583172	326183381	/nfs/dbraw/zinc/18/33/81/326183381.db2.gz	ZTUNTMPLYOJCRN-UHFFFAOYSA-N	0	1	218.260	0.681	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N(CC#N)CC#N)C1	ZINC000567484313	326202120	/nfs/dbraw/zinc/20/21/20/326202120.db2.gz	KVCDCGCVORYOKA-SNVBAGLBSA-N	0	1	220.276	0.204	20	30		BCEDMN
CC(C)C(=O)NCCN(C)CCCC#N	ZINC000157620768	326287189	/nfs/dbraw/zinc/28/71/89/326287189.db2.gz	ORDPQFKPCFWBFV-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CC(N(C)C)C1	ZINC000158481040	326324190	/nfs/dbraw/zinc/32/41/90/326324190.db2.gz	LVDWAHZHVJRUKA-JTQLQIEISA-N	0	1	226.320	0.740	20	30		BCEDMN
COCC#CCN(CCOC)CCOC	ZINC000677132515	487979072	/nfs/dbraw/zinc/97/90/72/487979072.db2.gz	BRJBBYXXLLBJTM-UHFFFAOYSA-N	0	1	215.293	0.231	20	30		BCEDMN
COCC#CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC000682538997	487981406	/nfs/dbraw/zinc/98/14/06/487981406.db2.gz	MNBIMIYKOHWYED-SRVKXCTJSA-N	0	1	236.315	0.222	20	30		BCEDMN
C#CC[N@H+](CC)Cc1cc(=O)n2[n-]ccc2n1	ZINC000490853603	488025930	/nfs/dbraw/zinc/02/59/30/488025930.db2.gz	UHSKPTCMTNCABU-UHFFFAOYSA-N	0	1	230.271	0.478	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1cc(C)cc(C)c1	ZINC000491508044	488033482	/nfs/dbraw/zinc/03/34/82/488033482.db2.gz	YEWHEBFVMVNUBO-ZIAGYGMSSA-N	0	1	233.311	0.921	20	30		BCEDMN
C=CCOCCCNC(=O)N1CCNCC1	ZINC000659597459	488057079	/nfs/dbraw/zinc/05/70/79/488057079.db2.gz	QBZBJGZCOYAJER-UHFFFAOYSA-N	0	1	227.308	0.194	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@](F)(CO)C1	ZINC000670110922	488123206	/nfs/dbraw/zinc/12/32/06/488123206.db2.gz	AOVBGUCAZNBEPX-NXEZZACHSA-N	0	1	203.257	0.330	20	30		BCEDMN
CCN1C(=O)N=NC1SCC#CCOC	ZINC000677805486	488126990	/nfs/dbraw/zinc/12/69/90/488126990.db2.gz	MTVOEKNHHVPGSX-UHFFFAOYSA-N	0	1	227.289	0.746	20	30		BCEDMN
C=CCOCCCC(=O)NCc1c[nH]nn1	ZINC000673947478	487488715	/nfs/dbraw/zinc/48/87/15/487488715.db2.gz	QJJYDNXDMICLIW-UHFFFAOYSA-N	0	1	224.264	0.404	20	30		BCEDMN
COCC#CCN1CCC[C@H](OCCO)C1	ZINC000677818281	487508902	/nfs/dbraw/zinc/50/89/02/487508902.db2.gz	YKIROVTYRMLMAY-LBPRGKRZSA-N	0	1	227.304	0.110	20	30		BCEDMN
COCC#CCN1CCC[C@@H](OCCOC)C1	ZINC000677820073	488135861	/nfs/dbraw/zinc/13/58/61/488135861.db2.gz	WOCOTMATSIWMIR-CYBMUJFWSA-N	0	1	241.331	0.764	20	30		BCEDMN
COCC#CCN1CCS[C@@H]2COCC[C@H]21	ZINC000677820612	488137288	/nfs/dbraw/zinc/13/72/88/488137288.db2.gz	QXPAYXIIYLFPEP-VXGBXAGGSA-N	0	1	241.356	0.843	20	30		BCEDMN
COCC#CC[N@@H+](C)CC1CCOCC1	ZINC000678085226	488195099	/nfs/dbraw/zinc/19/50/99/488195099.db2.gz	IACBYMZXPKXZBQ-UHFFFAOYSA-N	0	1	211.305	0.995	20	30		BCEDMN
Cn1ncc2c1cc(C(=O)NO)cc2O	ZINC000671995851	488234969	/nfs/dbraw/zinc/23/49/69/488234969.db2.gz	KZKMAABHGMSTKJ-UHFFFAOYSA-N	0	1	207.189	0.398	20	30		BCEDMN
C=CCCCN(CC)C(=O)CCc1nn[nH]n1	ZINC000890809148	582571436	/nfs/dbraw/zinc/57/14/36/582571436.db2.gz	MHCCQGZNDZZWII-UHFFFAOYSA-N	0	1	237.307	0.947	20	30		BCEDMN
C[C@H](NC(=O)[C@@]1(O)CCSC1)c1nnc[nH]1	ZINC000328941228	582720985	/nfs/dbraw/zinc/72/09/85/582720985.db2.gz	FFYSHTHUKLKTKM-IMTBSYHQSA-N	0	1	242.304	0.690	20	30		BCEDMN
C=C(CC)CN(CCOC)[C@H](C)C(N)=O	ZINC000358498728	534377829	/nfs/dbraw/zinc/37/78/29/534377829.db2.gz	MLZLQOGKZVYUQJ-SNVBAGLBSA-N	0	1	214.309	0.775	20	30		BCEDMN
C=C(CC)CN1CCCN(S(C)(=O)=O)CC1	ZINC000335951088	534384640	/nfs/dbraw/zinc/38/46/40/534384640.db2.gz	KBITXLXJGABCQO-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)c1[nH]nc(C)c1C	ZINC000342178720	534395140	/nfs/dbraw/zinc/39/51/40/534395140.db2.gz	JXEVQMLGDPEBME-JTQLQIEISA-N	0	1	237.303	0.941	20	30		BCEDMN
C=C(CC)CN1C[C@H](C)O[C@H](C(N)=O)C1	ZINC000358507062	534402834	/nfs/dbraw/zinc/40/28/34/534402834.db2.gz	KUAZJXHPLSIJAP-UWVGGRQHSA-N	0	1	212.293	0.527	20	30		BCEDMN
C=C1CCN(CCCS(N)(=O)=O)CC1	ZINC000342008025	534464259	/nfs/dbraw/zinc/46/42/59/534464259.db2.gz	PVXDPRFSXYLFOQ-UHFFFAOYSA-N	0	1	218.322	0.317	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnn(CCOC)c1	ZINC000289854988	534541185	/nfs/dbraw/zinc/54/11/85/534541185.db2.gz	OEQSYQKBPCRFPH-NSHDSACASA-N	0	1	225.292	0.166	20	30		BCEDMN
C=CCCC(=O)NC1(c2nn[nH]n2)CC1	ZINC000348281564	534611496	/nfs/dbraw/zinc/61/14/96/534611496.db2.gz	KSKIYNHLZJSMFL-UHFFFAOYSA-N	0	1	207.237	0.271	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)Nc1n[nH]c(CC)n1	ZINC000355014016	534631549	/nfs/dbraw/zinc/63/15/49/534631549.db2.gz	PPLXNZYHXQBMFR-SNVBAGLBSA-N	0	1	224.264	0.633	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)Nc1nc(CC)n[nH]1	ZINC000355014016	534631553	/nfs/dbraw/zinc/63/15/53/534631553.db2.gz	PPLXNZYHXQBMFR-SNVBAGLBSA-N	0	1	224.264	0.633	20	30		BCEDMN
C=CCN(CC=C)CCN1C(=O)CCC1=O	ZINC000120329395	534827542	/nfs/dbraw/zinc/82/75/42/534827542.db2.gz	XKWRBOOIBPZDJB-UHFFFAOYSA-N	0	1	222.288	0.809	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCCC1	ZINC000043562554	534862444	/nfs/dbraw/zinc/86/24/44/534862444.db2.gz	GNGPDMVBXJGJFL-SECBINFHSA-N	0	1	225.292	0.483	20	30		BCEDMN
C=CCOCCCN(C)Cc1nnc[nH]1	ZINC000348045894	534873326	/nfs/dbraw/zinc/87/33/26/534873326.db2.gz	IYUQGQDTBJOLNY-UHFFFAOYSA-N	0	1	210.281	0.829	20	30		BCEDMN
CC(C)(C)c1nc(CN2CCO[C@H](C#N)C2)n[nH]1	ZINC000292757470	534897742	/nfs/dbraw/zinc/89/77/42/534897742.db2.gz	XGCADLNRZIPMQY-SECBINFHSA-N	0	1	249.318	0.827	20	30		BCEDMN
C=CCN1CCC[C@@H]1CS(=O)(=O)NC	ZINC000494709185	526456702	/nfs/dbraw/zinc/45/67/02/526456702.db2.gz	MYPYIAQFVLFTHY-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
C=CCOCC(=O)Nc1n[nH]c(CC)n1	ZINC000479040159	526726983	/nfs/dbraw/zinc/72/69/83/526726983.db2.gz	BKZHKBPLJDJAOW-UHFFFAOYSA-N	0	1	210.237	0.508	20	30		BCEDMN
C=CCOCC(=O)Nc1nc(CC)n[nH]1	ZINC000479040159	526726986	/nfs/dbraw/zinc/72/69/86/526726986.db2.gz	BKZHKBPLJDJAOW-UHFFFAOYSA-N	0	1	210.237	0.508	20	30		BCEDMN
C#CCN(CC#C)C[C@H]1CCCNC1=O	ZINC000491818134	526845392	/nfs/dbraw/zinc/84/53/92/526845392.db2.gz	XKMBWXHRKVLTOA-LLVKDONJSA-N	0	1	204.273	0.081	20	30		BCEDMN
C#CCN(CC#CC)Cc1n[nH]c(C)n1	ZINC000491645393	526865659	/nfs/dbraw/zinc/86/56/59/526865659.db2.gz	OJTAQIFBBYQFLH-UHFFFAOYSA-N	0	1	202.261	0.572	20	30		BCEDMN
C#CCN(C[C@](C)(O)C(=O)OC)C1CC1	ZINC000491309255	526903244	/nfs/dbraw/zinc/90/32/44/526903244.db2.gz	YDSSVDAKRXIQHK-NSHDSACASA-N	0	1	211.261	0.008	20	30		BCEDMN
C#CCNC(=O)[C@H](N)c1ccccc1C	ZINC000491672903	527031602	/nfs/dbraw/zinc/03/16/02/527031602.db2.gz	ZELZXBMYVMUQEO-LLVKDONJSA-N	0	1	202.257	0.744	20	30		BCEDMN
C#CCN[C@@](C)(CO)c1cccc(O)c1	ZINC000309020352	527059957	/nfs/dbraw/zinc/05/99/57/527059957.db2.gz	WPWVMDCYEJTFBX-LBPRGKRZSA-N	0	1	205.257	0.823	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)[C@H]1CCCN1C	ZINC000491286196	527257454	/nfs/dbraw/zinc/25/74/54/527257454.db2.gz	HAGOJZHNFSSUDV-WDEREUQCSA-N	0	1	208.305	0.999	20	30		BCEDMN
CC(C)c1cc(C(=O)N2CCOC[C@H]2C#N)n[nH]1	ZINC000081739817	535353191	/nfs/dbraw/zinc/35/31/91/535353191.db2.gz	YLAKNJYMZSEJAZ-SECBINFHSA-N	0	1	248.286	0.898	20	30		BCEDMN
CC[C@H](O)CCCNC(=O)c1cnn[nH]1	ZINC000331027879	535960029	/nfs/dbraw/zinc/96/00/29/535960029.db2.gz	WIUZOJPRURGEFI-ZETCQYMHSA-N	0	1	212.253	0.660	20	30		BCEDMN
CN(CCC(C)(C)C#N)[C@H]1COC[C@@H]1O	ZINC000352799174	536314860	/nfs/dbraw/zinc/31/48/60/536314860.db2.gz	FOAOTSCCQCFZAP-UWVGGRQHSA-N	0	1	212.293	0.618	20	30		BCEDMN
CN(CCC(C)(C)C#N)[C@@H]1COC[C@H]1O	ZINC000352799173	536314931	/nfs/dbraw/zinc/31/49/31/536314931.db2.gz	FOAOTSCCQCFZAP-NXEZZACHSA-N	0	1	212.293	0.618	20	30		BCEDMN
CN1CCC[C@@]2(CCN(CCC#N)C2)C1=O	ZINC000372572021	536381653	/nfs/dbraw/zinc/38/16/53/536381653.db2.gz	OYHFDLLRSDBWIU-LBPRGKRZSA-N	0	1	221.304	0.844	20	30		BCEDMN
COC(=O)[C@H]1CCCN1C(=O)C(C)C#N	ZINC000044822750	536784146	/nfs/dbraw/zinc/78/41/46/536784146.db2.gz	UQDMEVQSJLOPAF-JGVFFNPUSA-N	0	1	210.233	0.310	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCN(CC)C1=O)[C@@H]1CCCO1	ZINC000851951113	582984421	/nfs/dbraw/zinc/98/44/21/582984421.db2.gz	UXAVYUREUMPHNJ-TUAOUCFPSA-N	0	1	236.315	0.378	20	30		BCEDMN
C=CCOCC(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853220605	588726029	/nfs/dbraw/zinc/72/60/29/588726029.db2.gz	OKYQLMMAEWUENC-ZETCQYMHSA-N	0	1	211.221	0.612	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853226023	588727306	/nfs/dbraw/zinc/72/73/06/588727306.db2.gz	ULHYGHVHOAQHTQ-YUMQZZPRSA-N	0	1	223.232	0.447	20	30		BCEDMN
C[C@H](OC(=O)c1ccc(C#N)n1C)c1nnc[nH]1	ZINC000853225676	588727389	/nfs/dbraw/zinc/72/73/89/588727389.db2.gz	QJCXRHRHTJBGOJ-ZETCQYMHSA-N	0	1	245.242	0.933	20	30		BCEDMN
Cn1nncc1NN=C1CCCn2nccc21	ZINC000853352146	588737097	/nfs/dbraw/zinc/73/70/97/588737097.db2.gz	JESJDVPTEWIUFI-UHFFFAOYSA-N	0	1	231.263	0.622	20	30		BCEDMN
Cc1nnc(N=NC2C(=O)OC[C@H]2C)n1C	ZINC000853431726	588741871	/nfs/dbraw/zinc/74/18/71/588741871.db2.gz	GOQVZXUKKMHZHB-RXMQYKEDSA-N	0	1	223.236	0.084	20	30		BCEDMN
Cc1nnc(NN=Cc2cnn3c2CCC3)n1C	ZINC000853430842	588741918	/nfs/dbraw/zinc/74/19/18/588741918.db2.gz	KINIMWIZRFSPIE-UHFFFAOYSA-N	0	1	245.290	0.712	20	30		BCEDMN
C#Cc1cccnc1N1CC(N2CC[C@@H](O)C2)C1	ZINC000853714376	588758682	/nfs/dbraw/zinc/75/86/82/588758682.db2.gz	XCMDECULJYYEMM-CYBMUJFWSA-N	0	1	243.310	0.318	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCCN1CCC1	ZINC000854074915	588773479	/nfs/dbraw/zinc/77/34/79/588773479.db2.gz	WBYXQSXAZWVWLI-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
CC(C)C#CC(=O)N1CCCN(C)CC1	ZINC000854178493	588778359	/nfs/dbraw/zinc/77/83/59/588778359.db2.gz	BDZQOPWFUZXCRM-UHFFFAOYSA-N	0	1	208.305	0.810	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NCCCc1nc[nH]n1	ZINC000854219520	588780094	/nfs/dbraw/zinc/78/00/94/588780094.db2.gz	HVBUKJLXJTZUKF-MRVPVSSYSA-N	0	1	239.279	0.543	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000854693815	588802120	/nfs/dbraw/zinc/80/21/20/588802120.db2.gz	WYSXJBRYVGZCHE-NQMVMOMDSA-N	0	1	210.233	0.570	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)[C@H]1CCCN1C	ZINC000854697748	588802786	/nfs/dbraw/zinc/80/27/86/588802786.db2.gz	KKQUJMGMXAFRID-ZYHUDNBSSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCONC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000854853187	588813369	/nfs/dbraw/zinc/81/33/69/588813369.db2.gz	ZGKOLPSNRPOQKE-MRVPVSSYSA-N	0	1	221.260	0.748	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)Cc1ncn[nH]1	ZINC000890551153	582471477	/nfs/dbraw/zinc/47/14/77/582471477.db2.gz	WUROKIIHEBJFLD-QMMMGPOBSA-N	0	1	206.249	0.524	20	30		BCEDMN
O=C(NCC#C[C@@H]1CCCCO1)c1cnn[nH]1	ZINC000891128191	582613530	/nfs/dbraw/zinc/61/35/30/582613530.db2.gz	KSFLEFNXVXSBBA-VIFPVBQESA-N	0	1	234.259	0.107	20	30		BCEDMN
C#CCCN1CCN(c2cc(C)cnn2)CC1	ZINC000892314965	582838669	/nfs/dbraw/zinc/83/86/69/582838669.db2.gz	ODGIPDRXSYWBBF-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000892495761	582897841	/nfs/dbraw/zinc/89/78/41/582897841.db2.gz	FFDBBVBPPHSLNM-FXBDTBDDSA-N	0	1	236.271	0.399	20	30		BCEDMN
C#C[C@H](NC(=O)CN(C)C)C1CCOCC1	ZINC000856113990	588860858	/nfs/dbraw/zinc/86/08/58/588860858.db2.gz	VGUJNROERQGCTF-NSHDSACASA-N	0	1	224.304	0.093	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000892518227	582905652	/nfs/dbraw/zinc/90/56/52/582905652.db2.gz	MLROMLQOWKKEGC-GUBZILKMSA-N	0	1	220.272	0.877	20	30		BCEDMN
C#CCSCC(=O)OCCc1c[nH]nn1	ZINC000892734657	582972337	/nfs/dbraw/zinc/97/23/37/582972337.db2.gz	FQBWEZHGOFECEW-UHFFFAOYSA-N	0	1	225.273	0.257	20	30		BCEDMN
C#CCSCC(=O)OCCc1cnn[nH]1	ZINC000892734657	582972338	/nfs/dbraw/zinc/97/23/38/582972338.db2.gz	FQBWEZHGOFECEW-UHFFFAOYSA-N	0	1	225.273	0.257	20	30		BCEDMN
C=C[C@H](CO)NC(=O)Cc1n[nH]c2c1CCCC2	ZINC000856276064	588866754	/nfs/dbraw/zinc/86/67/54/588866754.db2.gz	PPONWPSEWGIVNT-SECBINFHSA-N	0	1	249.314	0.494	20	30		BCEDMN
C#CCCN(CCOC)C(=O)c1cnc(C)[nH]1	ZINC000856388143	588871164	/nfs/dbraw/zinc/87/11/64/588871164.db2.gz	LKKAJJAXZFJULW-UHFFFAOYSA-N	0	1	235.287	0.830	20	30		BCEDMN
C#CCCCCC(=O)N(C)c1nn[nH]n1	ZINC000892954611	583018059	/nfs/dbraw/zinc/01/80/59/583018059.db2.gz	NOMCCYAOPFSSKJ-UHFFFAOYSA-N	0	1	207.237	0.356	20	30		BCEDMN
C=CCC(CC=C)C(=O)N(C)c1nn[nH]n1	ZINC000892954765	583019403	/nfs/dbraw/zinc/01/94/03/583019403.db2.gz	QRMDFKIZAKSHPI-UHFFFAOYSA-N	0	1	221.264	0.931	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000854542186	583087938	/nfs/dbraw/zinc/08/79/38/583087938.db2.gz	MSFFTTOAEIJSGZ-SECBINFHSA-N	0	1	235.287	0.188	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000854700714	583091106	/nfs/dbraw/zinc/09/11/06/583091106.db2.gz	XKCAJDBJXNDGCH-JTQLQIEISA-N	0	1	236.231	0.850	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)cs1	ZINC000841658621	583157947	/nfs/dbraw/zinc/15/79/47/583157947.db2.gz	BWGAIOHZIIUALY-UHFFFAOYSA-N	0	1	208.290	0.939	20	30		BCEDMN
COc1cccc(C(C)=NNC2=NCCN2)c1	ZINC000841660274	583165198	/nfs/dbraw/zinc/16/51/98/583165198.db2.gz	FDBQWEXKNUDDJC-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
CCN(C)c1ccc(C=NNC2=NCCN2)cn1	ZINC000841660061	583165279	/nfs/dbraw/zinc/16/52/79/583165279.db2.gz	DPHSMDRAHNGDSY-UHFFFAOYSA-N	0	1	246.318	0.420	20	30		BCEDMN
Nc1ccc2c(c1)C(=NNC1=NCCN1)CCC2	ZINC000841661436	583166223	/nfs/dbraw/zinc/16/62/23/583166223.db2.gz	XOVHZGQZEOGCQA-UHFFFAOYSA-N	0	1	243.314	0.858	20	30		BCEDMN
C#CCN(CC)C[C@@H]1[C@@H](C(=O)OC)C1(F)F	ZINC000893975830	583265212	/nfs/dbraw/zinc/26/52/12/583265212.db2.gz	HYKSYFYJQOBVTK-BDAKNGLRSA-N	0	1	231.242	0.996	20	30		BCEDMN
Cc1nc(CNC(=O)CC(C)(C)C#N)n[nH]1	ZINC000889702678	583304120	/nfs/dbraw/zinc/30/41/20/583304120.db2.gz	GVZGJYLWYSZMSZ-UHFFFAOYSA-N	0	1	221.264	0.669	20	30		BCEDMN
C#CC[C@@H]1NC(=O)N(C[C@@H]2CCN2CC)C1=O	ZINC000877880760	583352452	/nfs/dbraw/zinc/35/24/52/583352452.db2.gz	IPNCMTUYQWQNHL-UWVGGRQHSA-N	0	1	235.287	0.024	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC[C@@H](O)CC1	ZINC000878658526	583389560	/nfs/dbraw/zinc/38/95/60/583389560.db2.gz	YULGQMQVEHHDCM-MNOVXSKESA-N	0	1	227.304	0.951	20	30		BCEDMN
Cc1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)nc1	ZINC000841184059	583418231	/nfs/dbraw/zinc/41/82/31/583418231.db2.gz	ZDLNTOFEQBBEGO-VHSXEESVSA-N	0	1	245.286	0.623	20	30		BCEDMN
N#CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840673436	583423742	/nfs/dbraw/zinc/42/37/42/583423742.db2.gz	ZFIXSUSHOJHNLG-HTQZYQBOSA-N	0	1	212.205	0.889	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@@H]1[C@H](C(=O)OC)C1(F)F	ZINC000894573580	583486700	/nfs/dbraw/zinc/48/67/00/583486700.db2.gz	FBKSGQPEMXEMDR-DJLDLDEBSA-N	0	1	231.242	0.994	20	30		BCEDMN
C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cncnc1	ZINC000814886114	583596870	/nfs/dbraw/zinc/59/68/70/583596870.db2.gz	RZCXKAKXQVXDQO-PHIMTYICSA-N	0	1	244.302	0.671	20	30		BCEDMN
O=c1cc(CN[C@@H]2CCCN(O)C2=O)cc[nH]1	ZINC000895197634	583623724	/nfs/dbraw/zinc/62/37/24/583623724.db2.gz	UTJOIQSMVXPFJQ-SECBINFHSA-N	0	1	237.259	0.257	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1Cc1cccc(C#N)n1	ZINC000895325862	583651129	/nfs/dbraw/zinc/65/11/29/583651129.db2.gz	VEIWFKXVZMAOOK-QWHCGFSZSA-N	0	1	247.298	0.271	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3ccncc3C#N)C2)n1	ZINC000895329672	583652430	/nfs/dbraw/zinc/65/24/30/583652430.db2.gz	RAEHELOGVOZJPQ-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
Cc1nc(C2CN(c3ccncc3C#N)C2)n[nH]1	ZINC000895329672	583652431	/nfs/dbraw/zinc/65/24/31/583652431.db2.gz	RAEHELOGVOZJPQ-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
C#CC1(O)CCN(Cc2cnn(C=C)c2)CC1	ZINC000895384923	583662002	/nfs/dbraw/zinc/66/20/02/583662002.db2.gz	VERMFFYRRNAUGI-UHFFFAOYSA-N	0	1	231.299	0.944	20	30		BCEDMN
C#Cc1cnc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc1	ZINC000895736278	583718152	/nfs/dbraw/zinc/71/81/52/583718152.db2.gz	IXDLKPJRXLWXKF-KOLCDFICSA-N	0	1	216.288	0.962	20	30		BCEDMN
CN1CC[C@@H]1CNc1c(C#N)cnn1C	ZINC000895768289	583723870	/nfs/dbraw/zinc/72/38/70/583723870.db2.gz	BJVVMZLZBFPEGI-SECBINFHSA-N	0	1	205.265	0.408	20	30		BCEDMN
C[C@H](CC#N)NC(=O)c1cncc2nc[nH]c21	ZINC000895983751	583758649	/nfs/dbraw/zinc/75/86/49/583758649.db2.gz	YYWBSDHIOSBQNO-SSDOTTSWSA-N	0	1	229.243	0.990	20	30		BCEDMN
C=CC(C)(C)NC(=O)NCc1n[nH]c(=O)n1C	ZINC000896198237	583782456	/nfs/dbraw/zinc/78/24/56/583782456.db2.gz	MJCPIDJIGKSWEB-UHFFFAOYSA-N	0	1	239.279	0.285	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN1C	ZINC000896619076	583817995	/nfs/dbraw/zinc/81/79/95/583817995.db2.gz	JHLHIWMYWFBABR-NEPJUHHUSA-N	0	1	235.331	0.888	20	30		BCEDMN
C[C@@H]1CCc2n[nH]c(C(=O)NCC#N)c2C1	ZINC000896995806	583867530	/nfs/dbraw/zinc/86/75/30/583867530.db2.gz	JYBBRFBWDBNCMK-SSDOTTSWSA-N	0	1	218.260	0.788	20	30		BCEDMN
C#CCN(CC#N)Cc1n[nH]c(C)c1C	ZINC000897164015	583887903	/nfs/dbraw/zinc/88/79/03/583887903.db2.gz	GCNCXPQUTFALEL-UHFFFAOYSA-N	0	1	202.261	0.985	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1CCCO1	ZINC000897433857	583973700	/nfs/dbraw/zinc/97/37/00/583973700.db2.gz	FYOVOCHGJLZXQY-GRYCIOLGSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CCCN1C)[C@@H]1CCCO1	ZINC000897433860	583973835	/nfs/dbraw/zinc/97/38/35/583973835.db2.gz	FYOVOCHGJLZXQY-WOPDTQHZSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnnn1CC	ZINC000858335026	588947118	/nfs/dbraw/zinc/94/71/18/588947118.db2.gz	UPGFVRPPPCRCIW-JTQLQIEISA-N	0	1	222.292	0.426	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@H](C)N(C)C	ZINC000863801112	583996462	/nfs/dbraw/zinc/99/64/62/583996462.db2.gz	VGUSNPMDNMZDSF-VHSXEESVSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897555682	584017777	/nfs/dbraw/zinc/01/77/77/584017777.db2.gz	VWQDNNHCDPFHIX-RYUDHWBXSA-N	0	1	236.315	0.235	20	30		BCEDMN
Cc1[nH]ncc1CN1CCO[C@@](C)(C#N)C1	ZINC000897584627	584022153	/nfs/dbraw/zinc/02/21/53/584022153.db2.gz	JCIXGMGDKJGXOI-NSHDSACASA-N	0	1	220.276	0.833	20	30		BCEDMN
C#CCSCC(=O)NCCCc1nc[nH]n1	ZINC000897637957	584034036	/nfs/dbraw/zinc/03/40/36/584034036.db2.gz	WWGWPHHUURDDSK-UHFFFAOYSA-N	0	1	238.316	0.220	20	30		BCEDMN
C#CCONC(=O)c1[nH]nc2c1C[C@H](C)CC2	ZINC000897811406	584046509	/nfs/dbraw/zinc/04/65/09/584046509.db2.gz	BFKBJCYCPPOTMX-MRVPVSSYSA-N	0	1	233.271	0.829	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NC(C)(C)c1c[nH]nn1	ZINC000898147736	584086745	/nfs/dbraw/zinc/08/67/45/584086745.db2.gz	XLSAVFHUWGXNKZ-LLVKDONJSA-N	0	1	238.291	0.483	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)NCc1n[nH]c(C)n1	ZINC000898344629	584111383	/nfs/dbraw/zinc/11/13/83/584111383.db2.gz	JMUBZJIKMQGKSD-SNVBAGLBSA-N	0	1	247.302	0.810	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N(C)C1CC1	ZINC000730105417	584123730	/nfs/dbraw/zinc/12/37/30/584123730.db2.gz	HYAAHNGMJSYSDN-NSHDSACASA-N	0	1	206.289	0.705	20	30		BCEDMN
N#CC1(CC(=O)N2CC(N3CCCC3)C2)CC1	ZINC000898605250	584144433	/nfs/dbraw/zinc/14/44/33/584144433.db2.gz	RHISNAYLDHZDHG-UHFFFAOYSA-N	0	1	233.315	0.987	20	30		BCEDMN
C=CCCOCC(=O)N1CC(N2CCCC2)C1	ZINC000898612946	584146070	/nfs/dbraw/zinc/14/60/70/584146070.db2.gz	PVQLAFWPQFBQNW-UHFFFAOYSA-N	0	1	238.331	0.886	20	30		BCEDMN
C=C1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1	ZINC000898703073	584151764	/nfs/dbraw/zinc/15/17/64/584151764.db2.gz	JCHJBDUODRWKSG-VIFPVBQESA-N	0	1	205.261	0.987	20	30		BCEDMN
C#CC1(O)CCN(C(=O)c2cc(CC)[nH]n2)CC1	ZINC000899112875	584176224	/nfs/dbraw/zinc/17/62/24/584176224.db2.gz	TZYSSBWYSTUBIY-UHFFFAOYSA-N	0	1	247.298	0.572	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@@H]1CCOC	ZINC000899249404	584188489	/nfs/dbraw/zinc/18/84/89/584188489.db2.gz	YYBTVNUVONPVIN-JTQLQIEISA-N	0	1	227.308	0.192	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2nccc(OC)n2)C1=O	ZINC000899347194	584199176	/nfs/dbraw/zinc/19/91/76/584199176.db2.gz	MLFWRSKDPDQNPD-SECBINFHSA-N	0	1	244.254	0.847	20	30		BCEDMN
C#CCCc1cc(=O)n(-c2cnnn2C)[nH]1	ZINC000899356677	584202408	/nfs/dbraw/zinc/20/24/08/584202408.db2.gz	PZPRTAPSKGWRBU-UHFFFAOYSA-N	0	1	217.232	0.321	20	30		BCEDMN
C=C(C)CN1N=C(c2ccnn2C)CC1=O	ZINC000899350256	584204093	/nfs/dbraw/zinc/20/40/93/584204093.db2.gz	BJCUBOVCBVLVBP-UHFFFAOYSA-N	0	1	218.260	0.933	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000899920608	584255161	/nfs/dbraw/zinc/25/51/61/584255161.db2.gz	LTQCNADTCSUVPR-YPMHNXCESA-N	0	1	238.331	0.642	20	30		BCEDMN
C#CCSCC(=O)N1CCCN(C)CC1	ZINC000899934807	584257588	/nfs/dbraw/zinc/25/75/88/584257588.db2.gz	IIBGFWKYWZRGAM-UHFFFAOYSA-N	0	1	226.345	0.517	20	30		BCEDMN
CN1C[C@H](O)C[C@@]1(C)C(=O)NCCCCC#N	ZINC000900572377	584326653	/nfs/dbraw/zinc/32/66/53/584326653.db2.gz	GGRMLCFKTCFWRC-PWSUYJOCSA-N	0	1	239.319	0.252	20	30		BCEDMN
CN1C[C@H](O)C[C@]1(C)C(=O)NCCCCC#N	ZINC000900572379	584327025	/nfs/dbraw/zinc/32/70/25/584327025.db2.gz	GGRMLCFKTCFWRC-ZYHUDNBSSA-N	0	1	239.319	0.252	20	30		BCEDMN
CN1C[C@@H](O)C[C@]1(C)C(=O)NCCCCC#N	ZINC000900572371	584327033	/nfs/dbraw/zinc/32/70/33/584327033.db2.gz	GGRMLCFKTCFWRC-CMPLNLGQSA-N	0	1	239.319	0.252	20	30		BCEDMN
C/C=C/[C@@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000900607547	584330638	/nfs/dbraw/zinc/33/06/38/584330638.db2.gz	DPOYGQAOZROTPL-HMDXOVGESA-N	0	1	237.303	0.028	20	30		BCEDMN
C/C=C\[C@@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000900607548	584330971	/nfs/dbraw/zinc/33/09/71/584330971.db2.gz	DPOYGQAOZROTPL-UMBAGQNISA-N	0	1	237.303	0.028	20	30		BCEDMN
C=C1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C)CC1	ZINC000900585565	584331699	/nfs/dbraw/zinc/33/16/99/584331699.db2.gz	UIPGJJMHIRLZFA-YPMHNXCESA-N	0	1	238.331	0.620	20	30		BCEDMN
C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CN(C)CCN1C	ZINC000900809875	584355613	/nfs/dbraw/zinc/35/56/13/584355613.db2.gz	FBFFLVPCGGOTAT-YPMHNXCESA-N	0	1	249.358	0.150	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@@H](C)CC[S@](C)=O	ZINC000900885131	584361369	/nfs/dbraw/zinc/36/13/69/584361369.db2.gz	VFKIBORKBWTVRW-QFYYESIMSA-N	0	1	246.376	0.378	20	30		BCEDMN
C#CCCCCNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000901034327	584376061	/nfs/dbraw/zinc/37/60/61/584376061.db2.gz	JNGHGBIWRITOPX-WCQYABFASA-N	0	1	238.331	0.361	20	30		BCEDMN
CCc1onc(C)c1C=NNC1=NC[C@H](C)N1	ZINC000901215508	584401453	/nfs/dbraw/zinc/40/14/53/584401453.db2.gz	JXDSZDAUQGVYIO-ZETCQYMHSA-N	0	1	235.291	0.817	20	30		BCEDMN
Cc1nc(C=NNC2=NCCN2)sc1C	ZINC000901253053	584403697	/nfs/dbraw/zinc/40/36/97/584403697.db2.gz	WQDXVKMPNWKUKN-UHFFFAOYSA-N	0	1	223.305	0.643	20	30		BCEDMN
C[C@@H]1CC(NC(=O)Cc2cnc[nH]2)=NO1	ZINC000901251091	584409639	/nfs/dbraw/zinc/40/96/39/584409639.db2.gz	ZUWBUZKRRROHKU-ZCFIWIBFSA-N	0	1	208.221	0.191	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)cnc1F	ZINC000901252599	584410025	/nfs/dbraw/zinc/41/00/25/584410025.db2.gz	JZLBACHVXPWSFP-UHFFFAOYSA-N	0	1	221.239	0.412	20	30		BCEDMN
CC(=NN[C@H]1CCCOC1)c1c[nH]c(N)n1	ZINC000901222965	584411505	/nfs/dbraw/zinc/41/15/05/584411505.db2.gz	WKZIMAHIWPUKGO-QMMMGPOBSA-N	0	1	223.280	0.485	20	30		BCEDMN
C[C@H]1C(N=N[C@@H]2CCCC[C@H]2O)CCN1C	ZINC000901332708	584425076	/nfs/dbraw/zinc/42/50/76/584425076.db2.gz	KTAACVAFNUFYTI-MVWJERBFSA-N	0	1	225.336	0.960	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000901348830	584431147	/nfs/dbraw/zinc/43/11/47/584431147.db2.gz	DRLJSCMDHPPRPS-PWSUYJOCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@@H](CC(N)=O)N[C@@H](C)c1cc(C#N)ccn1	ZINC000902848785	584681637	/nfs/dbraw/zinc/68/16/37/584681637.db2.gz	XSWVOORBUIVHLZ-IUCAKERBSA-N	0	1	232.287	0.868	20	30		BCEDMN
C=CC[C@@H](CO)CN[C@H](C)c1cn(C)nn1	ZINC000902894983	584690778	/nfs/dbraw/zinc/69/07/78/584690778.db2.gz	QSTDVRNWTPGFJP-NXEZZACHSA-N	0	1	224.308	0.650	20	30		BCEDMN
C=CC[C@@H](CO)CN[C@@H](C)c1cn(C)nn1	ZINC000902894985	584690828	/nfs/dbraw/zinc/69/08/28/584690828.db2.gz	QSTDVRNWTPGFJP-VHSXEESVSA-N	0	1	224.308	0.650	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000902934528	584699924	/nfs/dbraw/zinc/69/99/24/584699924.db2.gz	QBISUSNIAQSUBU-SNVBAGLBSA-N	0	1	218.260	0.320	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2noc(C)n2)CC1	ZINC000902940203	584701357	/nfs/dbraw/zinc/70/13/57/584701357.db2.gz	MWPLQGPIFYKXBF-UHFFFAOYSA-N	0	1	248.286	0.205	20	30		BCEDMN
C#CCN1CCC(NC(=O)OC2COC2)CC1	ZINC000902968269	584703166	/nfs/dbraw/zinc/70/31/66/584703166.db2.gz	BQDSGYVFWCCLPX-UHFFFAOYSA-N	0	1	238.287	0.209	20	30		BCEDMN
COC[C@@H](O)CN[C@H](C)c1cc(C#N)ccn1	ZINC000902983462	584708998	/nfs/dbraw/zinc/70/89/98/584708998.db2.gz	ZSGVRIWRQIZUCV-KOLCDFICSA-N	0	1	235.287	0.611	20	30		BCEDMN
C#CCN1CC[C@H](Nc2ncccn2)C1	ZINC000903031904	584718672	/nfs/dbraw/zinc/71/86/72/584718672.db2.gz	UNHYIZZYMVAMJY-JTQLQIEISA-N	0	1	202.261	0.596	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@@H](Nc2ncccn2)C1	ZINC000903022676	584720548	/nfs/dbraw/zinc/72/05/48/584720548.db2.gz	KILYOOQWQIJKNI-GHMZBOCLSA-N	0	1	247.302	0.237	20	30		BCEDMN
C#CCCCS(=O)(=O)Nc1ccncc1C#N	ZINC000903150279	584732238	/nfs/dbraw/zinc/73/22/38/584732238.db2.gz	OPQRKDIRQWSHAC-UHFFFAOYSA-N	0	1	249.295	0.530	20	30		BCEDMN
CCC(C#N)(CC)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876801916	584887194	/nfs/dbraw/zinc/88/71/94/584887194.db2.gz	KHQWHVKKSYOKQP-ZJUUUORDSA-N	0	1	234.303	0.544	20	30		BCEDMN
C[C@H](CO)N(C)N=C1CCN2CCC[C@H]12	ZINC000842541289	584901764	/nfs/dbraw/zinc/90/17/64/584901764.db2.gz	HMOLDKMYZSWDIK-MWLCHTKSSA-N	0	1	211.309	0.523	20	30		BCEDMN
C[C@@H](CO)N(C)N=C1CCN2CCC[C@H]12	ZINC000842541287	584901822	/nfs/dbraw/zinc/90/18/22/584901822.db2.gz	HMOLDKMYZSWDIK-GXSJLCMTSA-N	0	1	211.309	0.523	20	30		BCEDMN
C[C@H](CO)N(C)N=C1CCN2CCC[C@@H]12	ZINC000842541288	584901932	/nfs/dbraw/zinc/90/19/32/584901932.db2.gz	HMOLDKMYZSWDIK-KOLCDFICSA-N	0	1	211.309	0.523	20	30		BCEDMN
C#CC1CCN(CCCS(C)(=O)=O)CC1	ZINC000830321677	584908308	/nfs/dbraw/zinc/90/83/08/584908308.db2.gz	WZWAXKVJKCHHMX-UHFFFAOYSA-N	0	1	229.345	0.766	20	30		BCEDMN
COCCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1	ZINC000834479609	584913618	/nfs/dbraw/zinc/91/36/18/584913618.db2.gz	GSOILLKMHIBAAS-VHSXEESVSA-N	0	1	237.303	0.031	20	30		BCEDMN
C[C@@H]1CC/C(=C/C(=O)N[C@@H]2CNC[C@H]2C#N)C1	ZINC000834500540	584913784	/nfs/dbraw/zinc/91/37/84/584913784.db2.gz	UKPCOKMICOVSJD-IHQRNPBKSA-N	0	1	233.315	0.961	20	30		BCEDMN
N#CCCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000834651973	584914394	/nfs/dbraw/zinc/91/43/94/584914394.db2.gz	FJWOYFFTKFNCMB-ZETCQYMHSA-N	0	1	219.248	0.254	20	30		BCEDMN
C(=NNCCN1CCCCC1)c1ncc[nH]1	ZINC000731151171	584922668	/nfs/dbraw/zinc/92/26/68/584922668.db2.gz	IRUFBNCZVVTUKY-UHFFFAOYSA-N	0	1	221.308	0.819	20	30		BCEDMN
CC(C)[C@@H](C(=O)Nc1cnn(CC#N)c1)N(C)C	ZINC000732065190	584933442	/nfs/dbraw/zinc/93/34/42/584933442.db2.gz	UXKFFVJKFDQHMU-NSHDSACASA-N	0	1	249.318	0.931	20	30		BCEDMN
N#CCCN1CCN(C[C@H](O)C2CC2)CC1	ZINC000734149484	584957585	/nfs/dbraw/zinc/95/75/85/584957585.db2.gz	ANLKVLPVJHBJQC-LBPRGKRZSA-N	0	1	223.320	0.289	20	30		BCEDMN
C=CCCC(=O)N1CCOC[C@H]1c1nn[nH]n1	ZINC000735408047	584976728	/nfs/dbraw/zinc/97/67/28/584976728.db2.gz	FARZTRLEQWIDOG-QMMMGPOBSA-N	0	1	237.263	0.066	20	30		BCEDMN
CN(CC#N)C(=O)c1nnc2ccccc2c1O	ZINC000735653664	584980519	/nfs/dbraw/zinc/98/05/19/584980519.db2.gz	RGFISFVWZIDTTE-UHFFFAOYSA-N	0	1	242.238	0.931	20	30		BCEDMN
C(=NNc1cccnn1)c1csnn1	ZINC000735975193	584985536	/nfs/dbraw/zinc/98/55/36/584985536.db2.gz	VNOMTAZMCQIABY-UHFFFAOYSA-N	0	1	206.234	0.774	20	30		BCEDMN
C=CC1CC[NH+](Cn2cnc(C(=O)[O-])n2)CC1	ZINC000736096055	584989447	/nfs/dbraw/zinc/98/94/47/584989447.db2.gz	GVCBDBWNWUXTGL-UHFFFAOYSA-N	0	1	236.275	0.832	20	30		BCEDMN
CC(C#N)C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736679906	585009520	/nfs/dbraw/zinc/00/95/20/585009520.db2.gz	RGSRESNPHFRVQT-GXSJLCMTSA-N	0	1	232.287	0.345	20	30		BCEDMN
CCc1cc(CNC(=O)[C@H](C)C#N)n[nH]1	ZINC000736680622	585009646	/nfs/dbraw/zinc/00/96/46/585009646.db2.gz	APQCMVSDRBABOS-SSDOTTSWSA-N	0	1	206.249	0.748	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NCCN1CCC1	ZINC000820647590	585014049	/nfs/dbraw/zinc/01/40/49/585014049.db2.gz	SSPIEUKCAQAPSX-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
Cc1nccc(C=NNC2=NC[C@@H](C)N2)n1	ZINC000814897387	585018527	/nfs/dbraw/zinc/01/85/27/585018527.db2.gz	JLNXRFMFNNTLDE-SSDOTTSWSA-N	0	1	218.264	0.056	20	30		BCEDMN
Nc1nc(Cl)cc(N=NCc2cncnc2)n1	ZINC000814899378	585025465	/nfs/dbraw/zinc/02/54/65/585025465.db2.gz	SXMMYVXYVPSRMX-UHFFFAOYSA-N	0	1	249.665	0.948	20	30		BCEDMN
CC[N@@H+](CCC(=O)NCC(=O)[O-])C[C@@H](C)C#N	ZINC000737094217	585025700	/nfs/dbraw/zinc/02/57/00/585025700.db2.gz	RPTSUSHYESDIAI-VIFPVBQESA-N	0	1	241.291	0.059	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1	ZINC000823496730	585028192	/nfs/dbraw/zinc/02/81/92/585028192.db2.gz	OXBIXGFAJUQEME-GHMZBOCLSA-N	0	1	242.319	0.903	20	30		BCEDMN
Cc1nc(COC(=O)C#CC2CC2)n[nH]1	ZINC000838366042	585054584	/nfs/dbraw/zinc/05/45/84/585054584.db2.gz	GBGIRCHSTYQYRW-UHFFFAOYSA-N	0	1	205.217	0.570	20	30		BCEDMN
C=CCONC(=O)N1CCN(CC2CC2)CC1	ZINC000838704496	585065163	/nfs/dbraw/zinc/06/51/63/585065163.db2.gz	SDQKMHUSAFEKMV-UHFFFAOYSA-N	0	1	239.319	0.841	20	30		BCEDMN
C#CCCNC(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000838756997	585068263	/nfs/dbraw/zinc/06/82/63/585068263.db2.gz	TUMWDSBRGUMUSJ-UHFFFAOYSA-N	0	1	249.318	0.925	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCOC1	ZINC000740535205	585102791	/nfs/dbraw/zinc/10/27/91/585102791.db2.gz	KWLRDUUKKOTFDA-ZJUUUORDSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCCN1CCN([C@@H](C)c2nnc(C)[nH]2)CC1	ZINC000839529792	585168210	/nfs/dbraw/zinc/16/82/10/585168210.db2.gz	ZMUDDCCZBNMJIZ-NSHDSACASA-N	0	1	247.346	0.815	20	30		BCEDMN
C#CC[NH+]1CCC(C(=O)NCc2cnc[nH]2)CC1	ZINC000747974641	585186249	/nfs/dbraw/zinc/18/62/49/585186249.db2.gz	NDEGQHAULKLCHD-UHFFFAOYSA-N	0	1	246.314	0.371	20	30		BCEDMN
C[C@H](CO)NN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000749820645	585206896	/nfs/dbraw/zinc/20/68/96/585206896.db2.gz	HMRJRISMEJGGIL-SECBINFHSA-N	0	1	245.286	0.776	20	30		BCEDMN
N#Cc1ncn(-c2nc3ccccc3c(=O)[nH]2)n1	ZINC000750530609	585217014	/nfs/dbraw/zinc/21/70/14/585217014.db2.gz	OGLVUHBGWWJJKN-UHFFFAOYSA-N	0	1	238.210	0.788	20	30		BCEDMN
N=C(N)NN=C1C(=O)Nc2cccc(Cl)c21	ZINC000750912899	585221966	/nfs/dbraw/zinc/22/19/66/585221966.db2.gz	SEIRJXJMVYYIPX-UHFFFAOYSA-N	0	1	237.650	0.479	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1nccn(C)c1=O	ZINC000752169789	585243309	/nfs/dbraw/zinc/24/33/09/585243309.db2.gz	ZHMZKFVQBHNJPS-MRVPVSSYSA-N	0	1	235.291	0.130	20	30		BCEDMN
C#CC(=O)Nc1cnn(-c2ccncc2)c1	ZINC000753999036	585274795	/nfs/dbraw/zinc/27/47/95/585274795.db2.gz	CTWMUQKHCDQAOB-UHFFFAOYSA-N	0	1	212.212	0.839	20	30		BCEDMN
C#CC(=O)N1CCN(c2cc(OC)ccn2)CC1	ZINC000754022759	585275531	/nfs/dbraw/zinc/27/55/31/585275531.db2.gz	ZOBQLZJKWNZBEO-UHFFFAOYSA-N	0	1	245.282	0.372	20	30		BCEDMN
CC(C)N1CC(=NN[C@@H](C)CO)[C@H](C)C1	ZINC000754256319	585281141	/nfs/dbraw/zinc/28/11/41/585281141.db2.gz	HBDPBRCCOWIYMP-ZJUUUORDSA-N	0	1	213.325	0.673	20	30		BCEDMN
Cc1nc[nH]c1C=NNC(=S)NC1CC1	ZINC000755523030	585301465	/nfs/dbraw/zinc/30/14/65/585301465.db2.gz	CPBGCXDBEBUFRG-UHFFFAOYSA-N	0	1	223.305	0.679	20	30		BCEDMN
C(=NNCCN1CCCCC1)c1cc[nH]n1	ZINC000755655231	585303479	/nfs/dbraw/zinc/30/34/79/585303479.db2.gz	CSIKBYVUNQROET-UHFFFAOYSA-N	0	1	221.308	0.819	20	30		BCEDMN
C(=NNc1cccnn1)c1cnn2cccnc12	ZINC000755734178	585305244	/nfs/dbraw/zinc/30/52/44/585305244.db2.gz	VRMDZTJLZPMRIS-UHFFFAOYSA-N	0	1	239.242	0.965	20	30		BCEDMN
Cc1nc[nH]c1C=NNC1CCOCC1	ZINC000755767661	585306307	/nfs/dbraw/zinc/30/63/07/585306307.db2.gz	ZKEIZBHMHYLPIW-UHFFFAOYSA-N	0	1	208.265	0.821	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(CCC)CC1	ZINC000755857730	585308719	/nfs/dbraw/zinc/30/87/19/585308719.db2.gz	WBBFKLRDGPJYCE-UHFFFAOYSA-N	0	1	238.331	0.581	20	30		BCEDMN
C=CCSCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839599769	585331559	/nfs/dbraw/zinc/33/15/59/585331559.db2.gz	UMDHIRQNIUNMDI-HTQZYQBOSA-N	0	1	230.289	0.687	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000839712515	585338066	/nfs/dbraw/zinc/33/80/66/585338066.db2.gz	IYMYJEQACLXPQQ-FXBDTBDDSA-N	0	1	237.259	0.802	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839727096	585338791	/nfs/dbraw/zinc/33/87/91/585338791.db2.gz	VHIIHXJEQZKYTH-BWZBUEFSSA-N	0	1	211.221	0.460	20	30		BCEDMN
C1CC(NN=C2CN3CCC2CC3)CCO1	ZINC000757598583	585342926	/nfs/dbraw/zinc/34/29/26/585342926.db2.gz	NNNZSEGALQEIIB-UHFFFAOYSA-N	0	1	223.320	0.837	20	30		BCEDMN
C[C@@H](CO)NN=Cc1ccc(N2CCCC2)nc1	ZINC000758377723	585355176	/nfs/dbraw/zinc/35/51/76/585355176.db2.gz	CFDDXEQLTVRKTF-NSHDSACASA-N	0	1	248.330	0.986	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cccc(O)c1	ZINC000759696466	585378585	/nfs/dbraw/zinc/37/85/85/585378585.db2.gz	XGJQPATXRHTQPG-SNVBAGLBSA-N	0	1	232.283	0.792	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)C2(C(N)=O)CC2)c1	ZINC000759718425	585379448	/nfs/dbraw/zinc/37/94/48/585379448.db2.gz	WLNPMYYPCJYUEI-UHFFFAOYSA-N	0	1	245.238	0.468	20	30		BCEDMN
N#CCC1(COC(=O)CCc2nc[nH]n2)CC1	ZINC000759848689	585381454	/nfs/dbraw/zinc/38/14/54/585381454.db2.gz	QQBWTPRWGOVUKD-UHFFFAOYSA-N	0	1	234.259	0.974	20	30		BCEDMN
CC[C@@H](C#N)OC(=O)CCc1nc[nH]n1	ZINC000759864710	585381793	/nfs/dbraw/zinc/38/17/93/585381793.db2.gz	LQBJYYKYVZAOFE-ZETCQYMHSA-N	0	1	208.221	0.583	20	30		BCEDMN
C#CCN(CC)CC[C@@H]1CCS(=O)(=O)C1	ZINC000760842284	585399229	/nfs/dbraw/zinc/39/92/29/585399229.db2.gz	FUTDLJXNWIAFKB-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CCOCCN(C)[C@H](C)C(=O)NC(C)(C)C	ZINC000761109210	585410071	/nfs/dbraw/zinc/41/00/71/585410071.db2.gz	OMQDLBBDDAKMLP-LLVKDONJSA-N	0	1	240.347	0.871	20	30		BCEDMN
COC(=O)c1ccc(CN=Nc2cnn(C)c2)[nH]1	ZINC000761867993	585421413	/nfs/dbraw/zinc/42/14/13/585421413.db2.gz	UCBMIVCTVNUUBG-UHFFFAOYSA-N	0	1	247.258	0.981	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cnn(C)c2)CN1C	ZINC000761881105	585421981	/nfs/dbraw/zinc/42/19/81/585421981.db2.gz	JLJMWFDKYTWAFS-MRVPVSSYSA-N	0	1	207.281	0.912	20	30		BCEDMN
Cn1cc(N=NCc2ccc(C(N)=O)cc2)cn1	ZINC000761882184	585422077	/nfs/dbraw/zinc/42/20/77/585422077.db2.gz	ZXTATAHFJHFTSE-UHFFFAOYSA-N	0	1	243.270	0.965	20	30		BCEDMN
COCC#CCN1CCN(CCCCO)CC1	ZINC000762925958	585439745	/nfs/dbraw/zinc/43/97/45/585439745.db2.gz	KYZINVMTARIBSI-UHFFFAOYSA-N	0	1	240.347	0.026	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2ccc(C#N)cn2)NO1	ZINC000763261744	585445401	/nfs/dbraw/zinc/44/54/01/585445401.db2.gz	TWAWZIXWFLIRTG-SSDOTTSWSA-N	0	1	230.227	0.805	20	30		BCEDMN
CC#CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000764058112	585459137	/nfs/dbraw/zinc/45/91/37/585459137.db2.gz	PYTLOYIGCJKWIL-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCN1CCC1	ZINC000767096613	585513987	/nfs/dbraw/zinc/51/39/87/585513987.db2.gz	WLQJOVQYCZAONW-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
C#CC(=O)N1CCN(CCOC)[C@@H](CCC)C1	ZINC000767123241	585514372	/nfs/dbraw/zinc/51/43/72/585514372.db2.gz	NCOZKMGPSOWQCN-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1	ZINC000767848234	585526937	/nfs/dbraw/zinc/52/69/37/585526937.db2.gz	UBJSTWAVNTXIHO-UHFFFAOYSA-N	0	1	243.222	0.921	20	30		BCEDMN
C#C[C@@H](CC)OC(=O)CCc1nc[nH]n1	ZINC000768055557	585530935	/nfs/dbraw/zinc/53/09/35/585530935.db2.gz	JPOGYVHNWCUFKV-QMMMGPOBSA-N	0	1	207.233	0.692	20	30		BCEDMN
N#CCOC(=O)CCCCc1cn[nH]n1	ZINC000768508794	585539242	/nfs/dbraw/zinc/53/92/42/585539242.db2.gz	GHYVHLCUCWMKJJ-UHFFFAOYSA-N	0	1	208.221	0.584	20	30		BCEDMN
C#C[C@@H](C)N(C)CCCCS(C)(=O)=O	ZINC000769962233	585567633	/nfs/dbraw/zinc/56/76/33/585567633.db2.gz	CXVSKBZVSWIINC-SNVBAGLBSA-N	0	1	217.334	0.765	20	30		BCEDMN
C#C[C@H](C)N(C)CC[C@H]1CCS(=O)(=O)C1	ZINC000769961751	585567678	/nfs/dbraw/zinc/56/76/78/585567678.db2.gz	NCXAERNEXOQIEU-QWRGUYRKSA-N	0	1	229.345	0.765	20	30		BCEDMN
C#CCCN1CCCC[C@@H](S(C)(=O)=O)C1	ZINC000770001443	585569014	/nfs/dbraw/zinc/56/90/14/585569014.db2.gz	MDIURDNPMDETHD-LLVKDONJSA-N	0	1	229.345	0.909	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C	ZINC000771406224	585594190	/nfs/dbraw/zinc/59/41/90/585594190.db2.gz	TVXMWQXAHGPFDG-NEPJUHHUSA-N	0	1	238.331	0.577	20	30		BCEDMN
NC(=O)CON=Cc1cccc(Cl)c1O	ZINC000771571942	585596575	/nfs/dbraw/zinc/59/65/75/585596575.db2.gz	MCHXTUHDCIBHLT-UHFFFAOYSA-N	0	1	228.635	0.881	20	30		BCEDMN
C[C@H]1CC(=NOCC(N)=O)CN1C1CC1	ZINC000771571490	585596594	/nfs/dbraw/zinc/59/65/94/585596594.db2.gz	BFOIVIMTCJUAMI-ZETCQYMHSA-N	0	1	211.265	0.101	20	30		BCEDMN
N#C[C@H](NC(=O)c1ncn[nH]1)c1ccc(F)cc1	ZINC000773262986	585634375	/nfs/dbraw/zinc/63/43/75/585634375.db2.gz	FPTISBRVRIXFPE-VIFPVBQESA-N	0	1	245.217	0.938	20	30		BCEDMN
N#C[C@H](NC(=O)c1nc[nH]n1)c1ccc(F)cc1	ZINC000773262986	585634376	/nfs/dbraw/zinc/63/43/76/585634376.db2.gz	FPTISBRVRIXFPE-VIFPVBQESA-N	0	1	245.217	0.938	20	30		BCEDMN
CON=CC(=O)Nc1ccc2[nH]nnc2c1	ZINC000774429963	585658577	/nfs/dbraw/zinc/65/85/77/585658577.db2.gz	LHZHNEJSJBMNFC-UHFFFAOYSA-N	0	1	219.204	0.529	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@H](C)N(C)C)[C@@H]1CCCO1	ZINC000775325689	585675586	/nfs/dbraw/zinc/67/55/86/585675586.db2.gz	UGMXJZMRDDEEEL-AXFHLTTASA-N	0	1	224.304	0.234	20	30		BCEDMN
C#C[C@H](C)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000775384847	585677043	/nfs/dbraw/zinc/67/70/43/585677043.db2.gz	QLLLWDQMFNAOEM-VHSXEESVSA-N	0	1	226.345	0.562	20	30		BCEDMN
C#CC[C@@H](NCC(=O)NCC#N)c1ccccc1	ZINC000775397968	585677601	/nfs/dbraw/zinc/67/76/01/585677601.db2.gz	COYZXRZGOSTHAC-CYBMUJFWSA-N	0	1	241.294	0.980	20	30		BCEDMN
C#C[C@@H](NCc1n[nH]c(CC)n1)[C@H]1CCCO1	ZINC000775790604	585684994	/nfs/dbraw/zinc/68/49/94/585684994.db2.gz	QIZYKWXLKMWLIN-NXEZZACHSA-N	0	1	234.303	0.638	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NCCC)[C@@H]1CCCO1	ZINC000775794297	585685046	/nfs/dbraw/zinc/68/50/46/585685046.db2.gz	ZRASPCQJROLKFZ-WOPDTQHZSA-N	0	1	238.331	0.672	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NCCC)[C@H]1CCCO1	ZINC000775794292	585685174	/nfs/dbraw/zinc/68/51/74/585685174.db2.gz	ZRASPCQJROLKFZ-SDDRHHMPSA-N	0	1	238.331	0.672	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NCC=C)[C@@H]1CCCO1	ZINC000775801415	585685203	/nfs/dbraw/zinc/68/52/03/585685203.db2.gz	XSIXOPRMMWFJTP-WOPDTQHZSA-N	0	1	236.315	0.448	20	30		BCEDMN
COCCCC=Nn1c(=O)c(C)n[nH]c1=S	ZINC000777422087	585711726	/nfs/dbraw/zinc/71/17/26/585711726.db2.gz	DSUSDQNKAIGVIU-UHFFFAOYSA-N	0	1	242.304	0.496	20	30		BCEDMN
C#CCCN1CCN(C(C)(C)C(=O)OC)CC1	ZINC000778189676	585727075	/nfs/dbraw/zinc/72/70/75/585727075.db2.gz	TUXRNKSAIDVJSY-UHFFFAOYSA-N	0	1	238.331	0.579	20	30		BCEDMN
Cc1csc(C=NNC2=NC[C@H](C)N2)n1	ZINC000779792432	585763641	/nfs/dbraw/zinc/76/36/41/585763641.db2.gz	RRSUZMPDRZRSJO-LURJTMIESA-N	0	1	223.305	0.723	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCc3c2cccc3O)N1	ZINC000779791193	585763898	/nfs/dbraw/zinc/76/38/98/585763898.db2.gz	GYVKQBSRABFBEC-QMMMGPOBSA-N	0	1	244.298	0.980	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc(O)c2O)N1	ZINC000779793848	585764058	/nfs/dbraw/zinc/76/40/58/585764058.db2.gz	BCVRNUVTUJYQAQ-ZETCQYMHSA-N	0	1	234.259	0.369	20	30		BCEDMN
COc1cc(C)nc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000779794454	585764246	/nfs/dbraw/zinc/76/42/46/585764246.db2.gz	HTVBKIMMFNBWSK-SECBINFHSA-N	0	1	247.302	0.670	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1ccc(F)cn1	ZINC000779794985	585764284	/nfs/dbraw/zinc/76/42/84/585764284.db2.gz	NWBJVEXNIZVOIF-SSDOTTSWSA-N	0	1	235.266	0.882	20	30		BCEDMN
Cc1ccoc1C=NNC1=NC[C@H](C)N1	ZINC000779795862	585764326	/nfs/dbraw/zinc/76/43/26/585764326.db2.gz	ZHACTCUOUXJJDY-QMMMGPOBSA-N	0	1	206.249	0.859	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn3ccccc23)N1	ZINC000779801492	585764541	/nfs/dbraw/zinc/76/45/41/585764541.db2.gz	UPIOUGTXRULUSR-SECBINFHSA-N	0	1	242.286	0.606	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cnn(C)c1C	ZINC000779800754	585764725	/nfs/dbraw/zinc/76/47/25/585764725.db2.gz	PQRDRUXIJJOHJI-SSDOTTSWSA-N	0	1	234.307	0.390	20	30		BCEDMN
Cc1cccc2c(=O)c(C(=O)NO)c[nH]c12	ZINC000782171106	585809122	/nfs/dbraw/zinc/80/91/22/585809122.db2.gz	YNQMDMXXZSEJGK-UHFFFAOYSA-N	0	1	218.212	0.956	20	30		BCEDMN
CO[C@H]1CCCN(CC(=O)NCCC#N)CC1	ZINC000783018781	585827086	/nfs/dbraw/zinc/82/70/86/585827086.db2.gz	QQDTUJUSDWXLBS-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1nccnc1C	ZINC000783523695	585836096	/nfs/dbraw/zinc/83/60/96/585836096.db2.gz	IJYPYXIYTPBPHP-SSDOTTSWSA-N	0	1	232.291	0.446	20	30		BCEDMN
COC[C@H](C#N)OC(=O)c1[nH]nc2c1CCCC2	ZINC000785153710	585871200	/nfs/dbraw/zinc/87/12/00/585871200.db2.gz	DIBGJQWEJDSOEP-QMMMGPOBSA-N	0	1	249.270	0.984	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@@H]1C=C	ZINC000785997707	585884728	/nfs/dbraw/zinc/88/47/28/585884728.db2.gz	QUSADBBCEYLUQL-NSHDSACASA-N	0	1	206.289	0.776	20	30		BCEDMN
C=C[C@@H]1CCCCN1CCS(N)(=O)=O	ZINC000785998235	585885027	/nfs/dbraw/zinc/88/50/27/585885027.db2.gz	AECHNUVQUNHSSK-SECBINFHSA-N	0	1	218.322	0.315	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC(C)(C)C#N	ZINC000786317268	585889390	/nfs/dbraw/zinc/88/93/90/585889390.db2.gz	UGNUVVMEZPLTER-SSDOTTSWSA-N	0	1	207.233	0.381	20	30		BCEDMN
N#Cc1cccc(C(=O)Nc2c[nH]nn2)c1	ZINC000789928394	585952858	/nfs/dbraw/zinc/95/28/58/585952858.db2.gz	UWWOODLRZQBAHT-UHFFFAOYSA-N	0	1	213.200	0.929	20	30		BCEDMN
N#Cc1ccc(C(=O)Nc2c[nH]nn2)nc1	ZINC000789926647	585953271	/nfs/dbraw/zinc/95/32/71/585953271.db2.gz	TWSYVXVDLMWINT-UHFFFAOYSA-N	0	1	214.188	0.324	20	30		BCEDMN
C#CCNC(=O)CCNCc1cccc(OC)n1	ZINC000790963048	585971269	/nfs/dbraw/zinc/97/12/69/585971269.db2.gz	XIHDHZIGSZROML-UHFFFAOYSA-N	0	1	247.298	0.319	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC(C)C)CC1	ZINC000791301171	585976387	/nfs/dbraw/zinc/97/63/87/585976387.db2.gz	MOSPYYHYQXLKJF-UHFFFAOYSA-N	0	1	226.320	0.335	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC2CC2)CC1	ZINC000791327448	585977641	/nfs/dbraw/zinc/97/76/41/585977641.db2.gz	DTGCRHMXBZRCOI-UHFFFAOYSA-N	0	1	224.304	0.089	20	30		BCEDMN
C#CCN(C)CC[C@@H]1CCS(=O)(=O)C1	ZINC000792302152	585999370	/nfs/dbraw/zinc/99/93/70/585999370.db2.gz	NYMFKUAYTUPTNM-SNVBAGLBSA-N	0	1	215.318	0.376	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H]1[C@@H]1CCCO1	ZINC000792926604	586006878	/nfs/dbraw/zinc/00/68/78/586006878.db2.gz	MXMSCHNBGOWBBV-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
Cn1cnc(C=NNCCN2CCCCC2)c1	ZINC000794495565	586040804	/nfs/dbraw/zinc/04/08/04/586040804.db2.gz	RVTGDMMPSZJEHP-UHFFFAOYSA-N	0	1	235.335	0.830	20	30		BCEDMN
C[C@H]1CCSCCN1CC(=O)NCCC#N	ZINC000794570042	586044172	/nfs/dbraw/zinc/04/41/72/586044172.db2.gz	DVFUMJUVMDTRGS-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1ccnc(F)c1	ZINC000794927994	586055868	/nfs/dbraw/zinc/05/58/68/586055868.db2.gz	RAWNKPLFHVSYGT-ZETCQYMHSA-N	0	1	235.266	0.882	20	30		BCEDMN
Cc1cnn(C)c1C=N[N-]c1[nH+]ccn1C	ZINC000794937713	586056594	/nfs/dbraw/zinc/05/65/94/586056594.db2.gz	ZWUDXJZHLSCRJA-UHFFFAOYSA-N	0	1	218.264	0.908	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1cncnc1	ZINC000794977142	586060633	/nfs/dbraw/zinc/06/06/33/586060633.db2.gz	YARJXGXLIGPZSP-MRVPVSSYSA-N	0	1	205.265	0.826	20	30		BCEDMN
Cc1nc(COC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000795448340	586079656	/nfs/dbraw/zinc/07/96/56/586079656.db2.gz	SZHPAPARQSJKDD-UHFFFAOYSA-N	0	1	231.215	0.670	20	30		BCEDMN
N#CC(C(=O)COC(F)F)C(=O)NC1CC1	ZINC000796792358	586112928	/nfs/dbraw/zinc/11/29/28/586112928.db2.gz	HCCPQHKTHVLJSL-ZCFIWIBFSA-N	0	1	232.186	0.213	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCc1cc(CC)[nH]n1	ZINC000797826323	586132466	/nfs/dbraw/zinc/13/24/66/586132466.db2.gz	PNPBGZBMEMSWEH-UHFFFAOYSA-N	0	1	243.332	0.968	20	30		BCEDMN
C=CCn1c(SCC[S@@](C)=O)n[nH]c1=O	ZINC000798234434	586141102	/nfs/dbraw/zinc/14/11/02/586141102.db2.gz	PWNWYVKZMHIXAM-OAHLLOKOSA-N	0	1	247.345	0.640	20	30		BCEDMN
CO[C@@H]1CCN(CC(=O)NCCC#N)[C@@H](C)C1	ZINC000799344307	586172350	/nfs/dbraw/zinc/17/23/50/586172350.db2.gz	UYZNSOXOHDNZJF-WDEREUQCSA-N	0	1	239.319	0.516	20	30		BCEDMN
CO[C@H]1CCN(CC(=O)NCCC#N)[C@@H](C)C1	ZINC000799344305	586172587	/nfs/dbraw/zinc/17/25/87/586172587.db2.gz	UYZNSOXOHDNZJF-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
CO[C@@H]1CCN(CC(=O)NCCC#N)[C@H](C)C1	ZINC000799344302	586172922	/nfs/dbraw/zinc/17/29/22/586172922.db2.gz	UYZNSOXOHDNZJF-GHMZBOCLSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCCN1CCN([C@H](C=C)C(=O)OC)CC1	ZINC000800367192	586214439	/nfs/dbraw/zinc/21/44/39/586214439.db2.gz	UDRUIPLSSGCQMX-GFCCVEGCSA-N	0	1	236.315	0.355	20	30		BCEDMN
CCCCCN(CCO[C@H](C)C#N)CC(N)=O	ZINC000801937948	586279679	/nfs/dbraw/zinc/27/96/79/586279679.db2.gz	BZCZOBBVBQSYIZ-LLVKDONJSA-N	0	1	241.335	0.893	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)[C@H](C(C)C)N(C)C	ZINC000803697322	586369597	/nfs/dbraw/zinc/36/95/97/586369597.db2.gz	YUTFSDCNJPPOFC-ZJUUUORDSA-N	0	1	228.292	0.654	20	30		BCEDMN
N#CCCNC(=O)CN(C1CC1)C1CC1	ZINC000859621816	589049226	/nfs/dbraw/zinc/04/92/26/589049226.db2.gz	RWZNIMQBCZTERG-UHFFFAOYSA-N	0	1	207.277	0.643	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1ccnc(C#N)c1	ZINC000804470634	586396901	/nfs/dbraw/zinc/39/69/01/586396901.db2.gz	BRQFANMELRRPAO-UHFFFAOYSA-N	0	1	214.232	0.708	20	30		BCEDMN
CC(C)(C)c1noc(CN=Nc2nc[nH]n2)n1	ZINC000807995586	586456122	/nfs/dbraw/zinc/45/61/22/586456122.db2.gz	IFFUAFZDVVSZKL-UHFFFAOYSA-N	0	1	235.251	0.931	20	30		BCEDMN
C(=NNc1ncn[nH]1)c1cnn2cccnc12	ZINC000807997556	586456993	/nfs/dbraw/zinc/45/69/93/586456993.db2.gz	QGZBHNTXFGKKSC-UHFFFAOYSA-N	0	1	228.219	0.293	20	30		BCEDMN
C(=NNc1nnc[nH]1)c1cnn2cccnc12	ZINC000807997556	586456994	/nfs/dbraw/zinc/45/69/94/586456994.db2.gz	QGZBHNTXFGKKSC-UHFFFAOYSA-N	0	1	228.219	0.293	20	30		BCEDMN
CN(CCc1ccccn1)C[C@H](O)CC#N	ZINC000809576684	586507910	/nfs/dbraw/zinc/50/79/10/586507910.db2.gz	PNIUMIOUSIDPHA-GFCCVEGCSA-N	0	1	219.288	0.830	20	30		BCEDMN
C#Cc1ccc(CN(C)[C@H]2CCNC2=O)cc1	ZINC000809595023	586508539	/nfs/dbraw/zinc/50/85/39/586508539.db2.gz	FBHNPNMWUAUBER-ZDUSSCGKSA-N	0	1	228.295	0.988	20	30		BCEDMN
CON=CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C	ZINC000809744030	586516764	/nfs/dbraw/zinc/51/67/64/586516764.db2.gz	RDZZSXNVNBPGMS-BDAKNGLRSA-N	0	1	213.281	0.170	20	30		BCEDMN
C=CCNC(=S)N[C@@H]1CCc2nc[nH]c2C1	ZINC000811712898	586566032	/nfs/dbraw/zinc/56/60/32/586566032.db2.gz	KTACWTFSEHITKT-MRVPVSSYSA-N	0	1	236.344	0.917	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840307520	586610643	/nfs/dbraw/zinc/61/06/43/586610643.db2.gz	ZXTRCPYYDDZTGY-XLPZGREQSA-N	0	1	211.221	0.460	20	30		BCEDMN
Cn1cc(C=NNc2cncnc2)c(=O)[nH]1	ZINC000814228632	586618359	/nfs/dbraw/zinc/61/83/59/586618359.db2.gz	DQEPWOLQOQDVGV-UHFFFAOYSA-N	0	1	218.220	0.362	20	30		BCEDMN
C=C[C@H](O)C(=O)OCc1nc(C(C)C)n[nH]1	ZINC000814550132	586624994	/nfs/dbraw/zinc/62/49/94/586624994.db2.gz	KCCBUDWPMOFBEL-ZETCQYMHSA-N	0	1	225.248	0.518	20	30		BCEDMN
C=C[C@H](O)C(=O)OCc1n[nH]c(C(C)C)n1	ZINC000814550132	586624995	/nfs/dbraw/zinc/62/49/95/586624995.db2.gz	KCCBUDWPMOFBEL-ZETCQYMHSA-N	0	1	225.248	0.518	20	30		BCEDMN
OCCNN=Cc1cc(F)c(O)c(F)c1	ZINC000814942144	586656341	/nfs/dbraw/zinc/65/63/41/586656341.db2.gz	KXQMJCZCJNBUJX-UHFFFAOYSA-N	0	1	216.187	0.586	20	30		BCEDMN
OCCN=NC1CCN(Cc2ccccc2)C1	ZINC000814942361	586656517	/nfs/dbraw/zinc/65/65/17/586656517.db2.gz	WPZYJCJCJQDGTF-UHFFFAOYSA-N	0	1	233.315	0.830	20	30		BCEDMN
C[C@H](O)CNN=Cc1cc(F)c(O)c(F)c1	ZINC000814961220	586659378	/nfs/dbraw/zinc/65/93/78/586659378.db2.gz	YKCCYIZVLFPQCO-LURJTMIESA-N	0	1	230.214	0.975	20	30		BCEDMN
Cn1nncc1NN=Cc1cn2ccccc2n1	ZINC000814982074	586662464	/nfs/dbraw/zinc/66/24/64/586662464.db2.gz	ONGLBTHTMAJLQQ-UHFFFAOYSA-N	0	1	241.258	0.909	20	30		BCEDMN
CC(=NNc1cnnn1C)c1ccnn1C	ZINC000814981434	586662596	/nfs/dbraw/zinc/66/25/96/586662596.db2.gz	ICHLXKVINMKHTB-UHFFFAOYSA-N	0	1	219.252	0.385	20	30		BCEDMN
Cn1nncc1NN=Cc1cn2cccnc2n1	ZINC000814981708	586662899	/nfs/dbraw/zinc/66/28/99/586662899.db2.gz	NVYRLBVWOASNIG-UHFFFAOYSA-N	0	1	242.246	0.304	20	30		BCEDMN
Cc1[nH]cnc1C=NNc1cnnn1C	ZINC000814981548	586663210	/nfs/dbraw/zinc/66/32/10/586663210.db2.gz	LPCQTUYEJOPNGT-UHFFFAOYSA-N	0	1	205.225	0.293	20	30		BCEDMN
Cc1c(C(C)N=Nc2cnnn2C)cnn1C	ZINC000814982619	586663469	/nfs/dbraw/zinc/66/34/69/586663469.db2.gz	IFYTZLQISVNNDR-UHFFFAOYSA-N	0	1	233.279	0.693	20	30		BCEDMN
C#CCCCC(=O)N1CCC2(CN(C)C2)C1	ZINC000816355537	586719897	/nfs/dbraw/zinc/71/98/97/586719897.db2.gz	KZFLZOKDEBIHDO-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840333950	586781604	/nfs/dbraw/zinc/78/16/04/586781604.db2.gz	XTZGJTNMQYXCJP-GJMOJQLCSA-N	0	1	211.221	0.316	20	30		BCEDMN
C[N@@H+](CCC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1	ZINC000818463105	586892105	/nfs/dbraw/zinc/89/21/05/586892105.db2.gz	YUSSTJHSQRUDPS-LBPRGKRZSA-N	0	1	248.282	0.998	20	30		BCEDMN
CC[C@H]1CN(C)CCN1C(=O)C=NOC	ZINC000818977709	586918959	/nfs/dbraw/zinc/91/89/59/586918959.db2.gz	KEYZPHQBFPVFSZ-VIFPVBQESA-N	0	1	213.281	0.171	20	30		BCEDMN
C=CCCn1cc(C(=O)NC2=NO[C@@H](C)C2)nn1	ZINC000819440443	586964640	/nfs/dbraw/zinc/96/46/40/586964640.db2.gz	NQOQTKRBMDMAKC-QMMMGPOBSA-N	0	1	249.274	0.706	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000820059452	587015604	/nfs/dbraw/zinc/01/56/04/587015604.db2.gz	FQRSDOQFLOPJLY-SNVBAGLBSA-N	0	1	247.298	0.262	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000820317973	587043376	/nfs/dbraw/zinc/04/33/76/587043376.db2.gz	YDTGOLOVJCSPAT-VXGBXAGGSA-N	0	1	241.294	0.998	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CN1CCCC1	ZINC000820317784	587043660	/nfs/dbraw/zinc/04/36/60/587043660.db2.gz	RCBCOWKSFBHTLB-UHFFFAOYSA-N	0	1	218.300	0.567	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000820405511	587046704	/nfs/dbraw/zinc/04/67/04/587046704.db2.gz	HJORQYVDJOTETM-RNFRBKRXSA-N	0	1	221.264	0.495	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C(C)C)CC1	ZINC000820440669	587049463	/nfs/dbraw/zinc/04/94/63/587049463.db2.gz	MWIPRWUVORKLAR-LLVKDONJSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(CC(C)C)CC1	ZINC000820440347	587049505	/nfs/dbraw/zinc/04/95/05/587049505.db2.gz	IXSYKKJJSCGYCA-GFCCVEGCSA-N	0	1	237.347	0.991	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)N(C)Cc1nnc[nH]1	ZINC000820660094	587063661	/nfs/dbraw/zinc/06/36/61/587063661.db2.gz	GGUJJJICNTVGKG-VIFPVBQESA-N	0	1	235.291	0.748	20	30		BCEDMN
C#CCN[C@H](c1cnn(C)c1)C1(CO)CCC1	ZINC000821288753	587104892	/nfs/dbraw/zinc/10/48/92/587104892.db2.gz	WLWBJPMJKBSVQY-GFCCVEGCSA-N	0	1	233.315	0.847	20	30		BCEDMN
O=C([O-])CCNN=C1CC[N@H+]2CCC[C@@H]12	ZINC000821524443	587125788	/nfs/dbraw/zinc/12/57/88/587125788.db2.gz	BDBNAOGRDGQYJF-VIFPVBQESA-N	0	1	211.265	0.275	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000821567143	587129066	/nfs/dbraw/zinc/12/90/66/587129066.db2.gz	GGDXAYXLFRWTST-HTQZYQBOSA-N	0	1	221.264	0.577	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H](C)N(C)C)[C@H]1CCCO1	ZINC000822073792	587151058	/nfs/dbraw/zinc/15/10/58/587151058.db2.gz	UGMXJZMRDDEEEL-OUAUKWLOSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822082363	587152165	/nfs/dbraw/zinc/15/21/65/587152165.db2.gz	LQHYTHMDRGKGIB-IWSPIJDZSA-N	0	1	203.245	0.651	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)CN2CCCC2)C1	ZINC000822325172	587162276	/nfs/dbraw/zinc/16/22/76/587162276.db2.gz	WWCJPNNQCJHWCN-LLVKDONJSA-N	0	1	225.267	0.546	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1CC(=O)NCCC#N	ZINC000823199841	587208168	/nfs/dbraw/zinc/20/81/68/587208168.db2.gz	HYZKRPKVSCBNLL-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CN1CCCC1	ZINC000823365804	587217712	/nfs/dbraw/zinc/21/77/12/587217712.db2.gz	RESQRZZCKWBXFW-MNOVXSKESA-N	0	1	224.304	0.542	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CN1CCCC1	ZINC000823438159	587221782	/nfs/dbraw/zinc/22/17/82/587221782.db2.gz	CNXPJILMWKWGHY-LLVKDONJSA-N	0	1	226.320	0.526	20	30		BCEDMN
C#CC[N@H+](CC)C[C@H]1CCN(C(=O)[O-])C1	ZINC000823451513	587222951	/nfs/dbraw/zinc/22/29/51/587222951.db2.gz	XKWIFEFSBZHODP-SNVBAGLBSA-N	0	1	210.277	0.941	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)[O-])C[C@@H]1C	ZINC000823496154	587226921	/nfs/dbraw/zinc/22/69/21/587226921.db2.gz	DRQWZIPEXNTHIV-QWRGUYRKSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823496584	587227259	/nfs/dbraw/zinc/22/72/59/587227259.db2.gz	MDAFTIKHUXAIDC-UWVGGRQHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C#CCOCCC(=O)N(C)Cc1cn[nH]c1C	ZINC000824056766	587252781	/nfs/dbraw/zinc/25/27/81/587252781.db2.gz	KTZQDDKWXGXLFF-UHFFFAOYSA-N	0	1	235.287	0.716	20	30		BCEDMN
C=CCSCCNC(=O)C1=NC(=O)N(C)C1	ZINC000824386445	587268534	/nfs/dbraw/zinc/26/85/34/587268534.db2.gz	IBCMLRFYNLKGGM-UHFFFAOYSA-N	0	1	241.316	0.775	20	30		BCEDMN
C#CCO[N-]C(=O)C[N@H+](C)CC(C)(C)C	ZINC000824483629	587271305	/nfs/dbraw/zinc/27/13/05/587271305.db2.gz	GPSYJATUIRFQLJ-UHFFFAOYSA-N	0	1	212.293	0.645	20	30		BCEDMN
C#CCO[N-]C(=O)C[N@@H+](C)CCc1ccccc1	ZINC000824483721	587271501	/nfs/dbraw/zinc/27/15/01/587271501.db2.gz	ISCGULHRMVCDSZ-UHFFFAOYSA-N	0	1	246.310	0.842	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)CN2CCCC2)C1	ZINC000824705199	587283841	/nfs/dbraw/zinc/28/38/41/587283841.db2.gz	HJZXFXQNTNLRFL-LBPRGKRZSA-N	0	1	221.304	0.844	20	30		BCEDMN
C=C[C@H](CC)CC(=O)N(C)c1nn[nH]n1	ZINC000825532332	587321883	/nfs/dbraw/zinc/32/18/83/587321883.db2.gz	VIGKZOVSELBVLU-SSDOTTSWSA-N	0	1	209.253	0.765	20	30		BCEDMN
C=CC[NH+](CC=C)CC(=O)NCCC(=O)[O-]	ZINC000825681889	587331870	/nfs/dbraw/zinc/33/18/70/587331870.db2.gz	KXJLXQXQJSVEMM-UHFFFAOYSA-N	0	1	226.276	0.251	20	30		BCEDMN
C#CCOCCNc1nc(N)nc2c1CCCC2	ZINC000825938957	587346252	/nfs/dbraw/zinc/34/62/52/587346252.db2.gz	QRJJKAUSFFQRNW-UHFFFAOYSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C	ZINC000827384102	587379211	/nfs/dbraw/zinc/37/92/11/587379211.db2.gz	NPBFJZNZABRRHW-TUAOUCFPSA-N	0	1	238.331	0.576	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1cc(CC)[nH]n1	ZINC000827424416	587380968	/nfs/dbraw/zinc/38/09/68/587380968.db2.gz	FCKHBZZWOAVBAU-NSHDSACASA-N	0	1	223.276	0.525	20	30		BCEDMN
C=C[C@@H](CC)CC(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000827528770	587386322	/nfs/dbraw/zinc/38/63/22/587386322.db2.gz	QJUABPKYZLATLC-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#C[C@@H](NCc1cnccn1)C1CCOCC1	ZINC000827558855	587388077	/nfs/dbraw/zinc/38/80/77/587388077.db2.gz	AGBMVXZLJXBEEO-CYBMUJFWSA-N	0	1	231.299	0.995	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC)C[C@@H]2C)nc1	ZINC000828172676	587423252	/nfs/dbraw/zinc/42/32/52/587423252.db2.gz	ORVXMICMLYTMEO-NSHDSACASA-N	0	1	230.315	0.988	20	30		BCEDMN
C#CCCCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000828995975	587478683	/nfs/dbraw/zinc/47/86/83/587478683.db2.gz	YDZWCEVIFMESBY-VIFPVBQESA-N	0	1	232.287	0.754	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000829377353	587494930	/nfs/dbraw/zinc/49/49/30/587494930.db2.gz	UKIVPIPWMINTFO-NSHDSACASA-N	0	1	241.294	0.610	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cc(CO)on2)NO1	ZINC000867063399	587507618	/nfs/dbraw/zinc/50/76/18/587507618.db2.gz	XHVOAEBHAMVBDG-RXMQYKEDSA-N	0	1	225.204	0.019	20	30		BCEDMN
C#CC1CCN([C@@H](C)C(=O)NC(=O)NC)CC1	ZINC000830304887	587545414	/nfs/dbraw/zinc/54/54/14/587545414.db2.gz	AZOWWRPACPLHOJ-VIFPVBQESA-N	0	1	237.303	0.176	20	30		BCEDMN
C=CCN(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000831638197	587625112	/nfs/dbraw/zinc/62/51/12/587625112.db2.gz	ARPXQEARJPULER-UHFFFAOYSA-N	0	1	221.260	0.916	20	30		BCEDMN
C#CCN(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000832222817	587651227	/nfs/dbraw/zinc/65/12/27/587651227.db2.gz	VEFQJBJBIFEPBT-UHFFFAOYSA-N	0	1	219.244	0.364	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000833368670	587709590	/nfs/dbraw/zinc/70/95/90/587709590.db2.gz	PBBDDZBXQSRBTH-VHSXEESVSA-N	0	1	213.277	0.720	20	30		BCEDMN
C=C(C)C[N@H+](CCC(=O)[O-])CC(OC)OC	ZINC000833369202	587709730	/nfs/dbraw/zinc/70/97/30/587709730.db2.gz	JQFGHNGCLPYUOT-UHFFFAOYSA-N	0	1	231.292	0.958	20	30		BCEDMN
C=CC[N@@H+](CN1C[C@H](C(=O)[O-])CC1=O)C1CC1	ZINC000833374563	587710646	/nfs/dbraw/zinc/71/06/46/587710646.db2.gz	QQEGNWAMMUNINN-SECBINFHSA-N	0	1	238.287	0.527	20	30		BCEDMN
C=CC[N@H+](CN1C[C@H](C(=O)[O-])CC1=O)C1CC1	ZINC000833374563	587710647	/nfs/dbraw/zinc/71/06/47/587710647.db2.gz	QQEGNWAMMUNINN-SECBINFHSA-N	0	1	238.287	0.527	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833374402	587710949	/nfs/dbraw/zinc/71/09/49/587710949.db2.gz	ZKWMWFOJJOAWHD-ZJUUUORDSA-N	0	1	241.287	0.901	20	30		BCEDMN
CC[N@H+](CCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833858061	587736641	/nfs/dbraw/zinc/73/66/41/587736641.db2.gz	UXFATPBVBGXIQL-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833858061	587736642	/nfs/dbraw/zinc/73/66/42/587736642.db2.gz	UXFATPBVBGXIQL-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
C#CCN(C)C(=O)c1cc(Br)[nH]n1	ZINC000834320991	587751848	/nfs/dbraw/zinc/75/18/48/587751848.db2.gz	SBPFQJFWTCNATC-UHFFFAOYSA-N	0	1	242.076	0.877	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CCSCC1	ZINC000834488660	587755812	/nfs/dbraw/zinc/75/58/12/587755812.db2.gz	FTDQKVNLKKSCLW-UWVGGRQHSA-N	0	1	239.344	0.357	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C[C@H]1CCCCO1	ZINC000834479555	587756123	/nfs/dbraw/zinc/75/61/23/587756123.db2.gz	FWERCQSDWISOHE-GMTAPVOTSA-N	0	1	237.303	0.173	20	30		BCEDMN
CCc1oc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1C	ZINC000834480031	587756228	/nfs/dbraw/zinc/75/62/28/587756228.db2.gz	KKSZFYUJUPSPPJ-ZJUUUORDSA-N	0	1	247.298	0.992	20	30		BCEDMN
C=CCOCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834480235	587756240	/nfs/dbraw/zinc/75/62/40/587756240.db2.gz	NBSXFIACXIFOHP-MNOVXSKESA-N	0	1	237.303	0.197	20	30		BCEDMN
CCCc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)[nH]n1	ZINC000834479526	587756261	/nfs/dbraw/zinc/75/62/61/587756261.db2.gz	FKSOEMWNMXRVDI-KCJUWKMLSA-N	0	1	247.302	0.204	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(F)n1	ZINC000834479571	587756276	/nfs/dbraw/zinc/75/62/76/587756276.db2.gz	GEUCNAJHLZFTPD-APPZFPTMSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21	ZINC000834481023	587756320	/nfs/dbraw/zinc/75/63/20/587756320.db2.gz	ZGHPZAYTUSFGNW-UVOCVTCTSA-N	0	1	219.288	0.260	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCOCC1CC1	ZINC000834480680	587756374	/nfs/dbraw/zinc/75/63/74/587756374.db2.gz	USFNJCDIYDAZRO-WDEREUQCSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(N)c1	ZINC000834485129	587756805	/nfs/dbraw/zinc/75/68/05/587756805.db2.gz	SAFXOJOHLFKRFV-KOLCDFICSA-N	0	1	230.271	0.110	20	30		BCEDMN
CCCCOCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834490994	587756962	/nfs/dbraw/zinc/75/69/62/587756962.db2.gz	ZEDTVSDJDPMGCA-VHSXEESVSA-N	0	1	225.292	0.031	20	30		BCEDMN
Cc1ccncc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834489045	587757256	/nfs/dbraw/zinc/75/72/56/587757256.db2.gz	IRFGTKQMKHGOJJ-ONGXEEELSA-N	0	1	230.271	0.231	20	30		BCEDMN
CC(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)o1	ZINC000834499491	587757400	/nfs/dbraw/zinc/75/74/00/587757400.db2.gz	IVBZCAXDZRHOII-BDAKNGLRSA-N	0	1	247.254	0.324	20	30		BCEDMN
COCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCC1	ZINC000834499173	587757412	/nfs/dbraw/zinc/75/74/12/587757412.db2.gz	FMRYNXKJILXANK-NXEZZACHSA-N	0	1	237.303	0.031	20	30		BCEDMN
CCn1nc(C)cc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834494518	587757460	/nfs/dbraw/zinc/75/74/60/587757460.db2.gz	NRPQIPNIHBBYFC-UWVGGRQHSA-N	0	1	247.302	0.053	20	30		BCEDMN
C[C@]1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCCOC1	ZINC000834500333	587757715	/nfs/dbraw/zinc/75/77/15/587757715.db2.gz	SEDDXCGXXYXUNE-NHCYSSNCSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)o1	ZINC000834504646	587757717	/nfs/dbraw/zinc/75/77/17/587757717.db2.gz	DKQUNSDJKJDQFG-IUCAKERBSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1noc(C)c1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834505101	587757882	/nfs/dbraw/zinc/75/78/82/587757882.db2.gz	HXQWZYRKDDVETL-IUCAKERBSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccccc1	ZINC000834506277	587757890	/nfs/dbraw/zinc/75/78/90/587757890.db2.gz	RMIDSDUKFMEQNP-MNOVXSKESA-N	0	1	215.256	0.528	20	30		BCEDMN
COc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834506190	587757938	/nfs/dbraw/zinc/75/79/38/587757938.db2.gz	QKBUHYHVFXHGHZ-PWSUYJOCSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccccc1N	ZINC000834505858	587758004	/nfs/dbraw/zinc/75/80/04/587758004.db2.gz	OSUFFFQOIGMRSG-JQWIXIFHSA-N	0	1	244.298	0.039	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)o1	ZINC000834512034	587758215	/nfs/dbraw/zinc/75/82/15/587758215.db2.gz	RDXBOBHOOYBPFM-KOLCDFICSA-N	0	1	233.271	0.738	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CC2(CCC2)C1	ZINC000834506225	587758277	/nfs/dbraw/zinc/75/82/77/587758277.db2.gz	QXAOTMRHRITZGY-MNOVXSKESA-N	0	1	233.315	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CC1CCCC1	ZINC000834512188	587758374	/nfs/dbraw/zinc/75/83/74/587758374.db2.gz	SQMWFYVMJYOPDZ-WDEREUQCSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccccc1F	ZINC000834512062	587758390	/nfs/dbraw/zinc/75/83/90/587758390.db2.gz	RJPBGQAJWRTJFZ-JQWIXIFHSA-N	0	1	247.273	0.596	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Cl)o1	ZINC000834517712	587758434	/nfs/dbraw/zinc/75/84/34/587758434.db2.gz	YMFOAKOMSPVLIX-RNFRBKRXSA-N	0	1	239.662	0.774	20	30		BCEDMN
Cc1ccccc1CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834512499	587758469	/nfs/dbraw/zinc/75/84/69/587758469.db2.gz	XYWZKEWHAGKEDB-OLZOCXBDSA-N	0	1	243.310	0.765	20	30		BCEDMN
CC(C)(C)SCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834516532	587758576	/nfs/dbraw/zinc/75/85/76/587758576.db2.gz	JQPIHWKRUINQTI-DTWKUNHWSA-N	0	1	241.360	0.746	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC[C@@H]1CCCO1	ZINC000834515743	587758591	/nfs/dbraw/zinc/75/85/91/587758591.db2.gz	BJCTTWCFQYNBCQ-VWYCJHECSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccsc1	ZINC000834512298	587758624	/nfs/dbraw/zinc/75/86/24/587758624.db2.gz	UPJOPMAATNSECA-ZJUUUORDSA-N	0	1	235.312	0.518	20	30		BCEDMN
C#CCn1cc(CNC(=O)C2(N(C)C)CC2)cn1	ZINC000834602789	587760489	/nfs/dbraw/zinc/76/04/89/587760489.db2.gz	DBSGQFNAVRWKFH-UHFFFAOYSA-N	0	1	246.314	0.227	20	30		BCEDMN
C#CCn1cc(CNC(=O)[C@H]2CCCN2C)cn1	ZINC000834609647	587760900	/nfs/dbraw/zinc/76/09/00/587760900.db2.gz	FWNBJJXAXBKJMR-GFCCVEGCSA-N	0	1	246.314	0.227	20	30		BCEDMN
C[C@H](CO)NN=C1CCCc2nc(N)ccc21	ZINC000834963187	587772967	/nfs/dbraw/zinc/77/29/67/587772967.db2.gz	BSISJEUSIVSFKP-MRVPVSSYSA-N	0	1	234.303	0.675	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NO[C@@H](CO)C(C)C	ZINC000836887845	587841205	/nfs/dbraw/zinc/84/12/05/587841205.db2.gz	GVKJIXXKOXPYMV-VWYCJHECSA-N	0	1	243.303	0.642	20	30		BCEDMN
C=CCN(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000867202243	587844885	/nfs/dbraw/zinc/84/48/85/587844885.db2.gz	TULRHIDHWKTQQH-JTQLQIEISA-N	0	1	221.260	0.620	20	30		BCEDMN
C=CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000867202245	587844980	/nfs/dbraw/zinc/84/49/80/587844980.db2.gz	TULRHIDHWKTQQH-SNVBAGLBSA-N	0	1	221.260	0.620	20	30		BCEDMN
CN(C(=O)C#CC1CC1)[C@H]1CN2CCC1CC2	ZINC000837411433	587871045	/nfs/dbraw/zinc/87/10/45/587871045.db2.gz	VOKLJZMGEINFRS-ZDUSSCGKSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCNC(=S)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000840757412	587919902	/nfs/dbraw/zinc/91/99/02/587919902.db2.gz	JUPXEHBQYSGUGT-AOOOYVTPSA-N	0	1	225.361	0.519	20	30		BCEDMN
N#Cc1cc(C(=O)NN2CCCNC2=O)co1	ZINC000867251132	587946996	/nfs/dbraw/zinc/94/69/96/587946996.db2.gz	RDLDTCLNTSLKSV-UHFFFAOYSA-N	0	1	234.215	0.211	20	30		BCEDMN
CC(C)(C)NC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000841507135	587957169	/nfs/dbraw/zinc/95/71/69/587957169.db2.gz	VTFVNMROLXKJJY-HTQZYQBOSA-N	0	1	210.281	0.196	20	30		BCEDMN
Cc1cc2c(cc1C)C(=NNC1=NCCN1)CO2	ZINC000841659773	587969594	/nfs/dbraw/zinc/96/95/94/587969594.db2.gz	LUIYSGYNKBHELS-UHFFFAOYSA-N	0	1	244.298	0.949	20	30		BCEDMN
Cn1ncnc1C=NNC1=N[C@H]2CCCC[C@@H]2N1	ZINC000842529088	588033746	/nfs/dbraw/zinc/03/37/46/588033746.db2.gz	OIXPUTCXAZEZCH-IUCAKERBSA-N	0	1	247.306	0.009	20	30		BCEDMN
C#CC1CCN(CN2C[C@@H](OC)CC2=O)CC1	ZINC000842634278	588047715	/nfs/dbraw/zinc/04/77/15/588047715.db2.gz	RTMNAVVEZXAMRI-LBPRGKRZSA-N	0	1	236.315	0.536	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C1(F)CC1	ZINC000842689792	588053015	/nfs/dbraw/zinc/05/30/15/588053015.db2.gz	FKQYJRHYRKMPOI-ZETCQYMHSA-N	0	1	212.224	0.722	20	30		BCEDMN
C#CCC[C@H](O)CNC[C@H](C#N)CCC#N	ZINC000843102077	588081760	/nfs/dbraw/zinc/08/17/60/588081760.db2.gz	SUOWYUUDGUNIDZ-RYUDHWBXSA-N	0	1	219.288	0.794	20	30		BCEDMN
CCC/C(C)=C/C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843458884	588112067	/nfs/dbraw/zinc/11/20/67/588112067.db2.gz	AVPCVUMAEQEOAA-UJQHZETGSA-N	0	1	221.304	0.961	20	30		BCEDMN
CC(C)(C)/C=C\C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843461862	588112404	/nfs/dbraw/zinc/11/24/04/588112404.db2.gz	XMFODOBFZDTOLS-YVDHIRPGSA-N	0	1	221.304	0.816	20	30		BCEDMN
CC(C)(C)/C=C/C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843461859	588112434	/nfs/dbraw/zinc/11/24/34/588112434.db2.gz	XMFODOBFZDTOLS-OCIBVNFRSA-N	0	1	221.304	0.816	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)on1	ZINC000843463243	588113160	/nfs/dbraw/zinc/11/31/60/588113160.db2.gz	VYZFMVNUKAPOHG-PSASIEDQSA-N	0	1	246.270	0.393	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCCC1	ZINC000843463839	588113176	/nfs/dbraw/zinc/11/31/76/588113176.db2.gz	YICUMEUGBHHVLN-NXEZZACHSA-N	0	1	221.304	0.794	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@]2(CC2(F)F)C1	ZINC000844470838	588198012	/nfs/dbraw/zinc/19/80/12/588198012.db2.gz	LZNCZDGUKZTZMT-MWLCHTKSSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@]2(CC2(F)F)C1	ZINC000844470836	588198275	/nfs/dbraw/zinc/19/82/75/588198275.db2.gz	LZNCZDGUKZTZMT-KOLCDFICSA-N	0	1	242.269	0.855	20	30		BCEDMN
C=C(C)CONC(=O)N1CCCN(C)CC1	ZINC000845589147	588234217	/nfs/dbraw/zinc/23/42/17/588234217.db2.gz	ARKKUTVINJBHDR-UHFFFAOYSA-N	0	1	227.308	0.841	20	30		BCEDMN
C=C(C)CONC(=O)NCc1n[nH]c(CC)n1	ZINC000845610614	588235912	/nfs/dbraw/zinc/23/59/12/588235912.db2.gz	LFRWUJROOZEQFC-UHFFFAOYSA-N	0	1	239.279	0.674	20	30		BCEDMN
C=C(C)CONC(=O)Cc1cncn1C	ZINC000846535089	588270339	/nfs/dbraw/zinc/27/03/39/588270339.db2.gz	OZGCGZWASIRCFY-UHFFFAOYSA-N	0	1	209.249	0.587	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@H](C)[NH+]1CCN(C)CC1	ZINC000846538353	588272337	/nfs/dbraw/zinc/27/23/37/588272337.db2.gz	HWAARVIIUZITGA-NSHDSACASA-N	0	1	241.335	0.246	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@H](C)N1CC[NH+](C)CC1	ZINC000846538353	588272338	/nfs/dbraw/zinc/27/23/38/588272338.db2.gz	HWAARVIIUZITGA-NSHDSACASA-N	0	1	241.335	0.246	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC000846538374	588272413	/nfs/dbraw/zinc/27/24/13/588272413.db2.gz	VRTSJORMMCGNHY-SNVBAGLBSA-N	0	1	228.292	0.331	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@H]1C[N@@H+](CC)CCO1	ZINC000846538374	588272414	/nfs/dbraw/zinc/27/24/14/588272414.db2.gz	VRTSJORMMCGNHY-SNVBAGLBSA-N	0	1	228.292	0.331	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000846678644	588282203	/nfs/dbraw/zinc/28/22/03/588282203.db2.gz	WIANGUCSJKNZIK-MLGHIDQZSA-N	0	1	245.326	0.816	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000846677812	588282316	/nfs/dbraw/zinc/28/23/16/588282316.db2.gz	OTZISLBYTYLYAL-VHSXEESVSA-N	0	1	232.287	0.298	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\C1CCCC1	ZINC000846678919	588282405	/nfs/dbraw/zinc/28/24/05/588282405.db2.gz	XJUYUWNPHZSSHD-DUVUQDDDSA-N	0	1	233.315	0.961	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@@H]1CN(CC)C(=O)O1	ZINC000846880081	588295086	/nfs/dbraw/zinc/29/50/86/588295086.db2.gz	SNQUEASAZRAHMN-NXEZZACHSA-N	0	1	210.277	0.781	20	30		BCEDMN
CN1CC(C(=O)N2CC(C)(C#N)C2)=NC1=O	ZINC000846950379	588298332	/nfs/dbraw/zinc/29/83/32/588298332.db2.gz	JRIVWHHRDKZKIR-UHFFFAOYSA-N	0	1	220.232	0.111	20	30		BCEDMN
C#CCCCN1CCN(C(=O)CC#N)CC1	ZINC000846953398	588298352	/nfs/dbraw/zinc/29/83/52/588298352.db2.gz	AVZGPPCNWHYWJH-UHFFFAOYSA-N	0	1	219.288	0.458	20	30		BCEDMN
C=C(CO)C(=O)N1CCC[N@H+](C)C[C@@H]1CC	ZINC000846990107	588300605	/nfs/dbraw/zinc/30/06/05/588300605.db2.gz	WRLKEVDKEAXXDO-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
C#C[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1	ZINC000847019371	588301875	/nfs/dbraw/zinc/30/18/75/588301875.db2.gz	PJXUZLPURAHROS-RYUDHWBXSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N(C)OC)C1	ZINC000847021088	588302781	/nfs/dbraw/zinc/30/27/81/588302781.db2.gz	IUUFDCHNLUDBHZ-SNVBAGLBSA-N	0	1	210.277	0.351	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NC2CC2)C1	ZINC000847024971	588303748	/nfs/dbraw/zinc/30/37/48/588303748.db2.gz	AWGCUHZGNVQBIF-SNVBAGLBSA-N	0	1	206.289	0.610	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NCC=C)C1	ZINC000847028752	588304267	/nfs/dbraw/zinc/30/42/67/588304267.db2.gz	KOVWBNYATDDHHW-NSHDSACASA-N	0	1	206.289	0.634	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)C(C)C	ZINC000847113136	588306515	/nfs/dbraw/zinc/30/65/15/588306515.db2.gz	CWJHHFRLPTVONR-VHSXEESVSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#C[C@H](NC(=O)C1(N(C)C)CC1)C(C)C	ZINC000847112184	588306520	/nfs/dbraw/zinc/30/65/20/588306520.db2.gz	AEJVFOMVDWOYBB-JTQLQIEISA-N	0	1	208.305	0.855	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)NC1=NO[C@H](C)C1	ZINC000847624480	588319483	/nfs/dbraw/zinc/31/94/83/588319483.db2.gz	RKQWFQQSABCJJX-HTQZYQBOSA-N	0	1	236.275	0.827	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC000848035069	588348777	/nfs/dbraw/zinc/34/87/77/588348777.db2.gz	KORKOZQGGFLTTF-VXGBXAGGSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC000848035066	588349076	/nfs/dbraw/zinc/34/90/76/588349076.db2.gz	KORKOZQGGFLTTF-NEPJUHHUSA-N	0	1	238.331	0.219	20	30		BCEDMN
O=C([O-])CNN=C1CCC[N@H+]2CCCC[C@H]12	ZINC000848409754	588379498	/nfs/dbraw/zinc/37/94/98/588379498.db2.gz	CSRYIIQLXMSRHU-SNVBAGLBSA-N	0	1	225.292	0.665	20	30		BCEDMN
C/C(=C\c1ccco1)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000848419637	588382878	/nfs/dbraw/zinc/38/28/78/588382878.db2.gz	ZSNJKFHYFYQMAH-CLPHVZMJSA-N	0	1	245.282	0.911	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CCC1(C)C	ZINC000850764175	588566027	/nfs/dbraw/zinc/56/60/27/588566027.db2.gz	NUHLZZWBGGCFAU-YUMQZZPRSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](OC)[C@H]1CCOC1	ZINC000851793677	588629475	/nfs/dbraw/zinc/62/94/75/588629475.db2.gz	GWJLNMGISGVHCV-QWHCGFSZSA-N	0	1	221.300	0.606	20	30		BCEDMN
C#CCN(CC)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851799344	588630202	/nfs/dbraw/zinc/63/02/02/588630202.db2.gz	OHFNBUXFQMDXNZ-AWEZNQCLSA-N	0	1	246.310	0.315	20	30		BCEDMN
C#CCOCCN[C@](C)(C(N)=O)c1ccccc1	ZINC000851834869	588633967	/nfs/dbraw/zinc/63/39/67/588633967.db2.gz	XBANVTIASXAVSQ-AWEZNQCLSA-N	0	1	246.310	0.627	20	30		BCEDMN
C#CCOCCN1CCSC[C@@H]1CO	ZINC000851883328	588639535	/nfs/dbraw/zinc/63/95/35/588639535.db2.gz	FAOSTTJNURPKKK-JTQLQIEISA-N	0	1	215.318	0.046	20	30		BCEDMN
C#CCOCCN[C@H](CO)c1ccccc1OC	ZINC000851917558	588643328	/nfs/dbraw/zinc/64/33/28/588643328.db2.gz	HTETUMGQBWUYEJ-CYBMUJFWSA-N	0	1	249.310	0.968	20	30		BCEDMN
C#C[C@H](NC[C@@H](O)c1ccccn1)[C@@H]1CCCO1	ZINC000851949600	588646893	/nfs/dbraw/zinc/64/68/93/588646893.db2.gz	GPOBDZODDTVJPW-YUTCNCBUSA-N	0	1	246.310	0.885	20	30		BCEDMN
C=CCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851953741	588647539	/nfs/dbraw/zinc/64/75/39/588647539.db2.gz	FAKTUFFXQJROGN-ZDUSSCGKSA-N	0	1	234.299	0.477	20	30		BCEDMN
C#CCOCCN1CC[C@@H](C)C[C@@H]1C(N)=O	ZINC000851956503	588647744	/nfs/dbraw/zinc/64/77/44/588647744.db2.gz	GONNBTSHJRIUQC-GHMZBOCLSA-N	0	1	224.304	0.222	20	30		BCEDMN
C#CCOCCN1CC[C@H](C)C[C@H]1C(N)=O	ZINC000851956505	588647905	/nfs/dbraw/zinc/64/79/05/588647905.db2.gz	GONNBTSHJRIUQC-QWRGUYRKSA-N	0	1	224.304	0.222	20	30		BCEDMN
C#CCOCCN1CC[C@H](C)C[C@@H]1C(N)=O	ZINC000851956506	588648143	/nfs/dbraw/zinc/64/81/43/588648143.db2.gz	GONNBTSHJRIUQC-WDEREUQCSA-N	0	1	224.304	0.222	20	30		BCEDMN
C#CCOCCN1C[C@@H](C)O[C@]2(CCOC2)C1	ZINC000852001038	588653950	/nfs/dbraw/zinc/65/39/50/588653950.db2.gz	DBBACWVWWVEBBX-CHWSQXEVSA-N	0	1	239.315	0.516	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCOC(F)F)C1=O	ZINC000852007513	588654656	/nfs/dbraw/zinc/65/46/56/588654656.db2.gz	OBCXRBDMTWHSSW-VIFPVBQESA-N	0	1	248.273	0.944	20	30		BCEDMN
C#CCOCCN1CCCc2c(cnn2C)C1	ZINC000852170493	588669170	/nfs/dbraw/zinc/66/91/70/588669170.db2.gz	FOTXOKXLWFINOP-UHFFFAOYSA-N	0	1	233.315	0.818	20	30		BCEDMN
C[C@H](C#N)OCC[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000852188095	588671167	/nfs/dbraw/zinc/67/11/67/588671167.db2.gz	WJBMJBYEPLMZLR-SSDOTTSWSA-N	0	1	226.236	0.136	20	30		BCEDMN
C[C@H](C#N)OCC[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000852188095	588671168	/nfs/dbraw/zinc/67/11/68/588671168.db2.gz	WJBMJBYEPLMZLR-SSDOTTSWSA-N	0	1	226.236	0.136	20	30		BCEDMN
N#CC[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1	ZINC000852319469	588677907	/nfs/dbraw/zinc/67/79/07/588677907.db2.gz	NJJUQRDUGYQIBV-VHSXEESVSA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1	ZINC000852319469	588677908	/nfs/dbraw/zinc/67/79/08/588677908.db2.gz	NJJUQRDUGYQIBV-VHSXEESVSA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CCCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433134	588682241	/nfs/dbraw/zinc/68/22/41/588682241.db2.gz	SQEQQHIJFYQZFF-SNVBAGLBSA-N	0	1	223.276	0.817	20	30		BCEDMN
CC1(C)CC[C@@H]1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852828530	588706384	/nfs/dbraw/zinc/70/63/84/588706384.db2.gz	YJAUEGXOYVNQHP-OPRDCNLKSA-N	0	1	221.304	0.650	20	30		BCEDMN
C/C(=C\C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccco1	ZINC000852827151	588706394	/nfs/dbraw/zinc/70/63/94/588706394.db2.gz	CEJBOEYEZTZSKI-WJHWTWHCSA-N	0	1	245.282	0.911	20	30		BCEDMN
C[C@H](Cc1ccco1)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852827524	588706460	/nfs/dbraw/zinc/70/64/60/588706460.db2.gz	KBHGPZXLKMLJFG-CKYFFXLPSA-N	0	1	247.298	0.686	20	30		BCEDMN
CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852875791	588710021	/nfs/dbraw/zinc/71/00/21/588710021.db2.gz	PQYUUOLEVUNJQQ-QYTUQVAYSA-N	0	1	249.314	0.029	20	30		BCEDMN
CC(C)n1nccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852875813	588710268	/nfs/dbraw/zinc/71/02/68/588710268.db2.gz	QJAGGSWTEOMFCZ-VHSXEESVSA-N	0	1	247.302	0.305	20	30		BCEDMN
C#CCOCCC(=O)OCCN1CCC1	ZINC000861389036	589163082	/nfs/dbraw/zinc/16/30/82/589163082.db2.gz	WBZCKGNJLFRMAR-UHFFFAOYSA-N	0	1	211.261	0.275	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)Cn1c[nH+]cc1C	ZINC000862133275	589192952	/nfs/dbraw/zinc/19/29/52/589192952.db2.gz	WGVAJZSYNHYBND-SECBINFHSA-N	0	1	209.249	0.814	20	30		BCEDMN
C#CCONC(=O)c1c(Cl)[nH]nc1CC	ZINC000862184149	589194224	/nfs/dbraw/zinc/19/42/24/589194224.db2.gz	YUQKCZZXKLLGPK-UHFFFAOYSA-N	0	1	227.651	0.920	20	30		BCEDMN
N#Cc1ccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)o1	ZINC000862546234	589219857	/nfs/dbraw/zinc/21/98/57/589219857.db2.gz	JDFZPUNWIMUKBJ-KWQFWETISA-N	0	1	232.239	0.756	20	30		BCEDMN
CC(=NNC1=NCCN1)c1nc(C)cs1	ZINC000863120331	589260232	/nfs/dbraw/zinc/26/02/32/589260232.db2.gz	NRBNODHSDMFAHM-UHFFFAOYSA-N	0	1	223.305	0.724	20	30		BCEDMN
C=C(C)CNC(=S)NCCN1CC[C@@H](O)C1	ZINC000863237048	589273661	/nfs/dbraw/zinc/27/36/61/589273661.db2.gz	WISIYFADEPZKGT-SNVBAGLBSA-N	0	1	243.376	0.093	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864905014	589400619	/nfs/dbraw/zinc/40/06/19/589400619.db2.gz	UKRVBNNLVHFFDP-SCZZXKLOSA-N	0	1	236.275	0.451	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)[C@H](O)c1c[nH]cn1	ZINC000865081948	589407792	/nfs/dbraw/zinc/40/77/92/589407792.db2.gz	NPRKGCXSIARYGF-SNVBAGLBSA-N	0	1	236.275	0.594	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000865164454	589412501	/nfs/dbraw/zinc/41/25/01/589412501.db2.gz	FMKWRRSXVSGBNR-APPZFPTMSA-N	0	1	222.248	0.204	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1	ZINC000865177944	589412997	/nfs/dbraw/zinc/41/29/97/589412997.db2.gz	NYFRNZVZRLPUFH-JTQLQIEISA-N	0	1	221.260	0.622	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CC3(CCC3)C2)c1=O	ZINC000865369900	589427464	/nfs/dbraw/zinc/42/74/64/589427464.db2.gz	KRDKKLOJRWKUCJ-UHFFFAOYSA-N	0	1	245.282	0.989	20	30		BCEDMN
C=CC1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1	ZINC000865699625	589457141	/nfs/dbraw/zinc/45/71/41/589457141.db2.gz	XJQLLQZMDHTQNE-NSHDSACASA-N	0	1	235.287	0.868	20	30		BCEDMN
C=CC1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1	ZINC000865699624	589457249	/nfs/dbraw/zinc/45/72/49/589457249.db2.gz	XJQLLQZMDHTQNE-LLVKDONJSA-N	0	1	235.287	0.868	20	30		BCEDMN
N#CCN(C(=O)[C@@H](O)c1c[nH]cn1)C1CCCC1	ZINC000865985190	589471228	/nfs/dbraw/zinc/47/12/28/589471228.db2.gz	LWAFXURKADQAEO-NSHDSACASA-N	0	1	248.286	0.738	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)CCc1c[nH]nn1	ZINC000867760492	589533266	/nfs/dbraw/zinc/53/32/66/589533266.db2.gz	DBRADSNHAWXCBS-SECBINFHSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)CCc1cnn[nH]1	ZINC000867760492	589533267	/nfs/dbraw/zinc/53/32/67/589533267.db2.gz	DBRADSNHAWXCBS-SECBINFHSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)CCc1c[nH]nn1	ZINC000867760493	589533453	/nfs/dbraw/zinc/53/34/53/589533453.db2.gz	DBRADSNHAWXCBS-VIFPVBQESA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)CCc1cnn[nH]1	ZINC000867760493	589533454	/nfs/dbraw/zinc/53/34/54/589533454.db2.gz	DBRADSNHAWXCBS-VIFPVBQESA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CCc1c[nH]nn1	ZINC000867840005	589536547	/nfs/dbraw/zinc/53/65/47/589536547.db2.gz	LCCBKKSUELPMRH-MRVPVSSYSA-N	0	1	206.249	0.217	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CCc1cnn[nH]1	ZINC000867840005	589536549	/nfs/dbraw/zinc/53/65/49/589536549.db2.gz	LCCBKKSUELPMRH-MRVPVSSYSA-N	0	1	206.249	0.217	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCCCO1	ZINC000121987366	589546173	/nfs/dbraw/zinc/54/61/73/589546173.db2.gz	IISBSJJOQBICOL-NXEZZACHSA-N	0	1	236.271	0.543	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1nn[nH]n1)C(C)(C)C	ZINC000868371681	589556442	/nfs/dbraw/zinc/55/64/42/589556442.db2.gz	XMCIRCVMOYAVOX-MRVPVSSYSA-N	0	1	235.291	0.296	20	30		BCEDMN
C=C(Br)CNC(=O)CN(C)C	ZINC000122193566	589561600	/nfs/dbraw/zinc/56/16/00/589561600.db2.gz	MZKVOIPTHDWDKZ-UHFFFAOYSA-N	0	1	221.098	0.573	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869074066	589585584	/nfs/dbraw/zinc/58/55/84/589585584.db2.gz	QPUQQFROKZYDDJ-NSHDSACASA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869074066	589585585	/nfs/dbraw/zinc/58/55/85/589585585.db2.gz	QPUQQFROKZYDDJ-NSHDSACASA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869073276	589585612	/nfs/dbraw/zinc/58/56/12/589585612.db2.gz	GPYFOHAQNRXFLY-ZYHUDNBSSA-N	0	1	247.298	0.705	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869187073	589592023	/nfs/dbraw/zinc/59/20/23/589592023.db2.gz	NAWHZLQWJVBCLN-VIFPVBQESA-N	0	1	233.275	0.004	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1coc(C#N)c1	ZINC000869256332	589594629	/nfs/dbraw/zinc/59/46/29/589594629.db2.gz	URANFDQJXUCKLE-UHFFFAOYSA-N	0	1	233.271	0.785	20	30		BCEDMN
C=CCCONC(=O)CCc1c[nH]nn1	ZINC000869282533	589595995	/nfs/dbraw/zinc/59/59/95/589595995.db2.gz	MOFOVJBBBKIWDA-UHFFFAOYSA-N	0	1	210.237	0.361	20	30		BCEDMN
C=CCCONC(=O)CCc1cnn[nH]1	ZINC000869282533	589595996	/nfs/dbraw/zinc/59/59/96/589595996.db2.gz	MOFOVJBBBKIWDA-UHFFFAOYSA-N	0	1	210.237	0.361	20	30		BCEDMN
CNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2	ZINC000870152246	589646052	/nfs/dbraw/zinc/64/60/52/589646052.db2.gz	IQOGTEGCCOKYLQ-VIFPVBQESA-N	0	1	246.270	0.288	20	30		BCEDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@H]1C#N	ZINC000870668563	589681843	/nfs/dbraw/zinc/68/18/43/589681843.db2.gz	CJLCLAMOFMCMGD-SGIHWFKDSA-N	0	1	237.259	0.802	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000870672083	589682349	/nfs/dbraw/zinc/68/23/49/589682349.db2.gz	VEPWBJSCASSJDJ-BDAKNGLRSA-N	0	1	233.275	0.877	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000870672086	589682485	/nfs/dbraw/zinc/68/24/85/589682485.db2.gz	VEPWBJSCASSJDJ-IUCAKERBSA-N	0	1	233.275	0.877	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccnn1C	ZINC000871926972	589833053	/nfs/dbraw/zinc/83/30/53/589833053.db2.gz	LXAAXBDOROKFIP-UWVGGRQHSA-N	0	1	234.303	0.209	20	30		BCEDMN
C#CCn1[nH]c(C)c(CCC(=O)OCC)c1=O	ZINC000871961580	589846310	/nfs/dbraw/zinc/84/63/10/589846310.db2.gz	LTJHBSJNUWJGQA-SNVBAGLBSA-N	0	1	236.271	0.797	20	30		BCEDMN
C#CCOCCN1CCO[C@H](C(F)F)CC1	ZINC000872273500	589903610	/nfs/dbraw/zinc/90/36/10/589903610.db2.gz	XYVVHHQFGXMUNS-JTQLQIEISA-N	0	1	233.258	0.992	20	30		BCEDMN
C[C@H]1C(N=Nc2ncccn2)CCN1C	ZINC000872341554	589915041	/nfs/dbraw/zinc/91/50/41/589915041.db2.gz	TWIOVTICQFTFRM-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H]1C(N=Nc2ncccn2)CCN1C	ZINC000872341553	589915333	/nfs/dbraw/zinc/91/53/33/589915333.db2.gz	TWIOVTICQFTFRM-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
Cc1ccnc(N)c1C=NN[C@H](C)CO	ZINC000872355062	589917125	/nfs/dbraw/zinc/91/71/25/589917125.db2.gz	DBJHFIVNXGVFPV-MRVPVSSYSA-N	0	1	208.265	0.277	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn(C3CC3)cn2)N1	ZINC000872365017	589920475	/nfs/dbraw/zinc/92/04/75/589920475.db2.gz	ZNGHKJMHJVMASC-MRVPVSSYSA-N	0	1	232.291	0.489	20	30		BCEDMN
COCCCNN=Cc1c(C)ccnc1N	ZINC000872369767	589923050	/nfs/dbraw/zinc/92/30/50/589923050.db2.gz	KKXCCCHEHACWIV-UHFFFAOYSA-N	0	1	222.292	0.932	20	30		BCEDMN
CCCn1cc(C=NNc2cncnc2)nn1	ZINC000872372904	589924092	/nfs/dbraw/zinc/92/40/92/589924092.db2.gz	RFUWWZIGAPBEOA-UHFFFAOYSA-N	0	1	231.263	0.924	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	ZINC000872376487	589925690	/nfs/dbraw/zinc/92/56/90/589925690.db2.gz	LNRFHADWXCRUJA-HTQZYQBOSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	ZINC000872376487	589925691	/nfs/dbraw/zinc/92/56/91/589925691.db2.gz	LNRFHADWXCRUJA-HTQZYQBOSA-N	0	1	213.281	0.519	20	30		BCEDMN
F[C@H]1COc2ccccc2C1=NNC1=NCCN1	ZINC000872385771	589929491	/nfs/dbraw/zinc/92/94/91/589929491.db2.gz	PIYLRDSLQHCDJH-VIFPVBQESA-N	0	1	248.261	0.670	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)CN1CCCC1	ZINC000874150876	590094328	/nfs/dbraw/zinc/09/43/28/590094328.db2.gz	NAMKSDYSYRWVHL-JTQLQIEISA-N	0	1	209.293	0.700	20	30		BCEDMN
C#CCN(CC)C(=O)CCCc1nn[nH]n1	ZINC000874166518	590095447	/nfs/dbraw/zinc/09/54/47/590095447.db2.gz	OPUAAFCVNOEFOF-UHFFFAOYSA-N	0	1	221.264	0.004	20	30		BCEDMN
C[C@@H](CCC#N)CN(C)CCS(C)(=O)=O	ZINC000876585246	590218432	/nfs/dbraw/zinc/21/84/32/590218432.db2.gz	FSMQJWUIHVBQGI-JTQLQIEISA-N	0	1	232.349	0.903	20	30		BCEDMN
CN(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21	ZINC000876791983	590242186	/nfs/dbraw/zinc/24/21/86/590242186.db2.gz	LANGXOMVLUFSKR-LBPRGKRZSA-N	0	1	229.283	0.833	20	30		BCEDMN
CNc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876801919	590243147	/nfs/dbraw/zinc/24/31/47/590243147.db2.gz	KJSLBJONDHTXES-JOYOIKCWSA-N	0	1	244.298	0.570	20	30		BCEDMN
CCCc1nc(C(=O)N[C@@H]2CNC[C@H]2C#N)co1	ZINC000876803178	590243691	/nfs/dbraw/zinc/24/36/91/590243691.db2.gz	UWGCPWJPXQYTEM-RKDXNWHRSA-N	0	1	248.286	0.468	20	30		BCEDMN
CC(C)c1nocc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876803339	590243771	/nfs/dbraw/zinc/24/37/71/590243771.db2.gz	VVITZKVCEDUWLC-WPRPVWTQSA-N	0	1	248.286	0.639	20	30		BCEDMN
CNc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000876803022	590243889	/nfs/dbraw/zinc/24/38/89/590243889.db2.gz	UEKMTBFPVQVYJQ-ZYHUDNBSSA-N	0	1	244.298	0.570	20	30		BCEDMN
CC1=C(C(=O)N[C@H]2CNC[C@@H]2C#N)CCCO1	ZINC000876803396	590243947	/nfs/dbraw/zinc/24/39/47/590243947.db2.gz	WEPKCWCHTUAJRT-ONGXEEELSA-N	0	1	235.287	0.299	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000876803942	590244023	/nfs/dbraw/zinc/24/40/23/590244023.db2.gz	ZTQLDBSSPFXJAC-UWVGGRQHSA-N	0	1	244.298	0.298	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(Cl)no1	ZINC000876802783	590244111	/nfs/dbraw/zinc/24/41/11/590244111.db2.gz	RWOHQAGBJRMOQR-PHDIDXHHSA-N	0	1	240.650	0.169	20	30		BCEDMN
CCC(C)(C)[C@H](O)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876803218	590244168	/nfs/dbraw/zinc/24/41/68/590244168.db2.gz	VMYQDMBQHCQQQZ-IVZWLZJFSA-N	0	1	239.319	0.011	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000876803944	590244343	/nfs/dbraw/zinc/24/43/43/590244343.db2.gz	ZTQLDBSSPFXJAC-ZJUUUORDSA-N	0	1	244.298	0.298	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1N	ZINC000876803955	590244595	/nfs/dbraw/zinc/24/45/95/590244595.db2.gz	ZWCDXFWTDCZTDZ-RDDDGLTNSA-N	0	1	248.261	0.249	20	30		BCEDMN
O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000876827851	590246870	/nfs/dbraw/zinc/24/68/70/590246870.db2.gz	YFTMQPWTBKLJAQ-TXEJJXNPSA-N	0	1	218.300	0.753	20	30		BCEDMN
CC(C)[C@@H]1CNCCN1C(=O)C#CC1CC1	ZINC000876998574	590267303	/nfs/dbraw/zinc/26/73/03/590267303.db2.gz	OQUIRLLXRYSMSB-LBPRGKRZSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCCCC(=O)NC[C@H]1COCCN1	ZINC000877038968	590272562	/nfs/dbraw/zinc/27/25/62/590272562.db2.gz	CLZHTDAWTDYYGV-JTQLQIEISA-N	0	1	212.293	0.447	20	30		BCEDMN
CC(C)(C)C#CC(=O)NC[C@H]1COCCN1	ZINC000877038313	590273061	/nfs/dbraw/zinc/27/30/61/590273061.db2.gz	MDJWDUTUYYDDOC-JTQLQIEISA-N	0	1	224.304	0.141	20	30		BCEDMN
C=CCN(C)Cc1cccc(S(N)(=O)=O)c1	ZINC000877426092	590325277	/nfs/dbraw/zinc/32/52/77/590325277.db2.gz	JURWPVDZMUGKDR-UHFFFAOYSA-N	0	1	240.328	0.952	20	30		BCEDMN
C#C[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1	ZINC000877513514	590344836	/nfs/dbraw/zinc/34/48/36/590344836.db2.gz	ALWZHAKTDJPTEH-SECBINFHSA-N	0	1	238.312	0.445	20	30		BCEDMN
N#Cc1cccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)n1	ZINC000877660355	590386920	/nfs/dbraw/zinc/38/69/20/590386920.db2.gz	JZKTVLLMYMYPCC-CABZTGNLSA-N	0	1	243.266	0.558	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@@H](CNC(C)=O)C1	ZINC000878112794	590497367	/nfs/dbraw/zinc/49/73/67/590497367.db2.gz	OKYGKZPUEAAWHP-PWSUYJOCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCN(CC#C)Cc1cc[nH]c(=O)c1	ZINC000878151571	590507113	/nfs/dbraw/zinc/50/71/13/590507113.db2.gz	ASUFEKOZIFEKQP-UHFFFAOYSA-N	0	1	200.241	0.856	20	30		BCEDMN
C#CCN(CC#C)CCc1ccc(C(N)=O)cc1	ZINC000878153656	590508065	/nfs/dbraw/zinc/50/80/65/590508065.db2.gz	XEJGSXKDZHIXDC-UHFFFAOYSA-N	0	1	240.306	0.896	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)C[C@H](C)C(=O)NC	ZINC000878161778	590510431	/nfs/dbraw/zinc/51/04/31/590510431.db2.gz	CBUPPBAOEGWLSG-UWVGGRQHSA-N	0	1	242.319	0.418	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)CCCC(=O)NC	ZINC000878296757	590536579	/nfs/dbraw/zinc/53/65/79/590536579.db2.gz	MUSFQACRXYARRY-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C#CCCN1CCN(Cc2nccnc2C)CC1	ZINC000878312087	590541264	/nfs/dbraw/zinc/54/12/64/590541264.db2.gz	GLBPALHXKBSTLQ-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
C=CC[C@H](C)N1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000878379461	590556579	/nfs/dbraw/zinc/55/65/79/590556579.db2.gz	LXSLSQNQQCGOQW-QWRGUYRKSA-N	0	1	246.376	0.917	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H](O)[C@@H](C)C1	ZINC000878464403	590571468	/nfs/dbraw/zinc/57/14/68/590571468.db2.gz	XCCPLIVEMFKUDP-AXFHLTTASA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@](O)(CC)C1	ZINC000878465968	590572765	/nfs/dbraw/zinc/57/27/65/590572765.db2.gz	IZAPJNVYVILVJW-CMPLNLGQSA-N	0	1	227.304	0.951	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@H](O)CC1(O)CCCC1	ZINC000878517746	590585706	/nfs/dbraw/zinc/58/57/06/590585706.db2.gz	WJMGXKXCJNGDDM-NWDGAFQWSA-N	0	1	225.332	0.996	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@@H](O)C(C)(C)C1	ZINC000878532171	590587231	/nfs/dbraw/zinc/58/72/31/590587231.db2.gz	QATLYPYCVUKLDV-NXEZZACHSA-N	0	1	227.304	0.807	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)CC(C)(C)O	ZINC000878698124	590610869	/nfs/dbraw/zinc/61/08/69/590610869.db2.gz	BFEXPRFMNYTCAQ-VHSXEESVSA-N	0	1	214.309	0.790	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)Cc1n[nH]c(=O)o1	ZINC000878726795	590617219	/nfs/dbraw/zinc/61/72/19/590617219.db2.gz	VBIHRLBKCNLQPT-SSDOTTSWSA-N	0	1	241.247	0.325	20	30		BCEDMN
C#CCCN1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C	ZINC000878752091	590618827	/nfs/dbraw/zinc/61/88/27/590618827.db2.gz	GNUMDOAYJQQLOF-HBNTYKKESA-N	0	1	208.305	0.949	20	30		BCEDMN
COC(CN1C[C@H](C)N(CC#N)[C@@H](C)C1)OC	ZINC000878772025	590620572	/nfs/dbraw/zinc/62/05/72/590620572.db2.gz	CNDITXSQAWFOCV-QWRGUYRKSA-N	0	1	241.335	0.523	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)Cc1cnc[nH]1	ZINC000878884454	590640091	/nfs/dbraw/zinc/64/00/91/590640091.db2.gz	DFPJMEMMQXIOGP-SNVBAGLBSA-N	0	1	223.276	0.959	20	30		BCEDMN
C#CCN(Cc1cnc[nH]1)C1CSC1	ZINC000878909066	590645358	/nfs/dbraw/zinc/64/53/58/590645358.db2.gz	JJSQEKBWPHHNBL-UHFFFAOYSA-N	0	1	207.302	0.960	20	30		BCEDMN
C#CCN(CCCC(=O)OC)C1CSC1	ZINC000878909357	590645727	/nfs/dbraw/zinc/64/57/27/590645727.db2.gz	ADLLYDKUWHQLRW-UHFFFAOYSA-N	0	1	227.329	0.990	20	30		BCEDMN
C#CCNC(=O)CCN(CC#C)C1CSC1	ZINC000878909859	590646372	/nfs/dbraw/zinc/64/63/72/590646372.db2.gz	FNXKJQVUBHRMAF-UHFFFAOYSA-N	0	1	236.340	0.177	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@@H](CNC(=O)NC)C1	ZINC000879034097	590682358	/nfs/dbraw/zinc/68/23/58/590682358.db2.gz	WHGUZRZDQBHYCP-QWRGUYRKSA-N	0	1	241.335	0.581	20	30		BCEDMN
C#CCCN1CCN(c2nnc(C)n2C)CC1	ZINC000879191422	590712259	/nfs/dbraw/zinc/71/22/59/590712259.db2.gz	CPLYJFRPTGFFLE-UHFFFAOYSA-N	0	1	233.319	0.269	20	30		BCEDMN
C#CCN1CCc2c(CC(N)=O)cccc2C1	ZINC000879228014	590717828	/nfs/dbraw/zinc/71/78/28/590717828.db2.gz	CJPRMHNIZQYBPJ-UHFFFAOYSA-N	0	1	228.295	0.706	20	30		BCEDMN
C#CCNC(=O)CCN(C)[C@@H]1CCC[C@H]1C#N	ZINC000879308810	590734379	/nfs/dbraw/zinc/73/43/79/590734379.db2.gz	IAZGWTDUHPQNBZ-NWDGAFQWSA-N	0	1	233.315	0.750	20	30		BCEDMN
CC#CCN1CCCC[C@H]1CNC(=O)NC	ZINC000879337881	590751508	/nfs/dbraw/zinc/75/15/08/590751508.db2.gz	YQUVPNFCPUVLRT-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C=CCN1CC[C@@]2(CC(C(=O)OC)=NO2)C1	ZINC000879479177	590777755	/nfs/dbraw/zinc/77/77/55/590777755.db2.gz	GDYMFMVBVIWUMG-LLVKDONJSA-N	0	1	224.260	0.566	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@@H]2CSC[C@@H]2C1	ZINC000879556685	590796490	/nfs/dbraw/zinc/79/64/90/590796490.db2.gz	GDJMGEQWWQZCED-ZJUUUORDSA-N	0	1	239.344	0.311	20	30		BCEDMN
C=CCCN1CCC[C@H]2OCCNC(=O)[C@@H]21	ZINC000879720158	590854957	/nfs/dbraw/zinc/85/49/57/590854957.db2.gz	WYAMJHDZSYBYSR-GHMZBOCLSA-N	0	1	224.304	0.542	20	30		BCEDMN
C=CCCN1CCC[C@@H]2OCCNC(=O)[C@@H]21	ZINC000879720161	590855113	/nfs/dbraw/zinc/85/51/13/590855113.db2.gz	WYAMJHDZSYBYSR-WDEREUQCSA-N	0	1	224.304	0.542	20	30		BCEDMN
C=CCCCN1CCC[C@H]2OCCNC(=O)[C@@H]21	ZINC000879719864	590855656	/nfs/dbraw/zinc/85/56/56/590855656.db2.gz	VBRHYESYNJIIID-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CC[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000879764069	590865488	/nfs/dbraw/zinc/86/54/88/590865488.db2.gz	SEQCGSLANMTLRD-SECBINFHSA-N	0	1	234.221	0.763	20	30		BCEDMN
C#CC[N@@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000879764069	590865491	/nfs/dbraw/zinc/86/54/91/590865491.db2.gz	SEQCGSLANMTLRD-SECBINFHSA-N	0	1	234.221	0.763	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)C(F)(F)F)C1	ZINC000879764069	590865496	/nfs/dbraw/zinc/86/54/96/590865496.db2.gz	SEQCGSLANMTLRD-SECBINFHSA-N	0	1	234.221	0.763	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H]1CCOC[C@@H]1OC	ZINC000880424224	591030193	/nfs/dbraw/zinc/03/01/93/591030193.db2.gz	GNCNFJFJPZRMQC-QWRGUYRKSA-N	0	1	242.319	0.024	20	30		BCEDMN
C#CCC1(O)CCN([C@@H](C)C(=O)N(C)C)CC1	ZINC000880476844	591054037	/nfs/dbraw/zinc/05/40/37/591054037.db2.gz	HSAJZRSHRLBKPM-NSHDSACASA-N	0	1	238.331	0.313	20	30		BCEDMN
C#CCC1(O)CCN([C@H]2CCCNC2=O)CC1	ZINC000880481494	591056316	/nfs/dbraw/zinc/05/63/16/591056316.db2.gz	VHTKCYQVWPKSTK-NSHDSACASA-N	0	1	236.315	0.115	20	30		BCEDMN
C=CCN1CC[C@H](N2CC=C[C@@H]2CO)C1=O	ZINC000880491134	591065828	/nfs/dbraw/zinc/06/58/28/591065828.db2.gz	GYZCNZZXWCDVSZ-MNOVXSKESA-N	0	1	222.288	0.006	20	30		BCEDMN
C=C[C@](C)(O)c1cn(Cc2nnc(CC)[nH]2)nn1	ZINC000881365902	591196296	/nfs/dbraw/zinc/19/62/96/591196296.db2.gz	NDAWPRLODZAVMT-NSHDSACASA-N	0	1	248.290	0.400	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)CN(C)C)C(=O)OCC	ZINC000881752632	591269753	/nfs/dbraw/zinc/26/97/53/591269753.db2.gz	VTNAEFNKCOFOMB-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@@H]2CCCN2C)C1	ZINC000881944573	591282273	/nfs/dbraw/zinc/28/22/73/591282273.db2.gz	PKKKWVZFOZTLHQ-VIFPVBQESA-N	0	1	210.252	0.264	20	30		BCEDMN
C#CC1(F)CN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000881947333	591282760	/nfs/dbraw/zinc/28/27/60/591282760.db2.gz	KVDMONYYADXKND-UHFFFAOYSA-N	0	1	244.229	0.755	20	30		BCEDMN
C#CC1(F)CN(C(=O)c2cc(CC)[nH]n2)C1	ZINC000881945977	591282892	/nfs/dbraw/zinc/28/28/92/591282892.db2.gz	CPIFQLYNIHRTNQ-UHFFFAOYSA-N	0	1	221.235	0.769	20	30		BCEDMN
C#CCC(CC#C)C(=O)NC[C@@H]1CCN1CC	ZINC000882491978	591372423	/nfs/dbraw/zinc/37/24/23/591372423.db2.gz	ODQIIZICZBYDQI-ZDUSSCGKSA-N	0	1	232.327	0.860	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NC[C@@H]1CCN1CC	ZINC000882492546	591373161	/nfs/dbraw/zinc/37/31/61/591373161.db2.gz	AIEZMOAGGKFLLN-GXSJLCMTSA-N	0	1	212.293	0.134	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1cccc(C#N)n1	ZINC000882492539	591373698	/nfs/dbraw/zinc/37/36/98/591373698.db2.gz	QQRADKLWNBMMEN-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)CCCC#N	ZINC000882493763	591375504	/nfs/dbraw/zinc/37/55/04/591375504.db2.gz	LLEKMFSZMAYZRH-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C#CCC1(O)CCN(C(=O)[C@@H](C)N(C)C)CC1	ZINC000882531448	591383793	/nfs/dbraw/zinc/38/37/93/591383793.db2.gz	VDZMHJVJSRPUSG-LLVKDONJSA-N	0	1	238.331	0.313	20	30		BCEDMN
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ncc[nH]1	ZINC000882847027	591454756	/nfs/dbraw/zinc/45/47/56/591454756.db2.gz	ZQNBPYLQIXBJES-QMMMGPOBSA-N	0	1	245.304	0.015	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000882894641	591466903	/nfs/dbraw/zinc/46/69/03/591466903.db2.gz	UWLOFMXAVCHVOI-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc(C2CC2)nc1	ZINC000883125376	591544379	/nfs/dbraw/zinc/54/43/79/591544379.db2.gz	HEIPRTZPFUYUSG-GFCCVEGCSA-N	0	1	231.299	0.828	20	30		BCEDMN
C#CC[C@@H](CO)NCc1c(C)nnn1CC	ZINC000883125366	591544474	/nfs/dbraw/zinc/54/44/74/591544474.db2.gz	GQLSOISBDLNVAW-JTQLQIEISA-N	0	1	222.292	0.080	20	30		BCEDMN
C#C[C@H](C)NC(=O)NC[C@H]1CCN1CC	ZINC000883581251	591695666	/nfs/dbraw/zinc/69/56/66/591695666.db2.gz	SUQOFLBQNAOWRY-VHSXEESVSA-N	0	1	209.293	0.402	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NCCCC#N	ZINC000883564372	591693482	/nfs/dbraw/zinc/69/34/82/591693482.db2.gz	OXOUEIHFSOJTMI-SNVBAGLBSA-N	0	1	224.308	0.684	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NC[C@@H](C)C#N	ZINC000883601854	591699077	/nfs/dbraw/zinc/69/90/77/591699077.db2.gz	HPFQNRGMTBGXFW-UWVGGRQHSA-N	0	1	224.308	0.539	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NC[C@H](C)C#N	ZINC000883601856	591699637	/nfs/dbraw/zinc/69/96/37/591699637.db2.gz	HPFQNRGMTBGXFW-ZJUUUORDSA-N	0	1	224.308	0.539	20	30		BCEDMN
C[N@@H+](CCO)C[C@@H](O)CC1(C#N)CCC1	ZINC000885948776	592110722	/nfs/dbraw/zinc/11/07/22/592110722.db2.gz	FGJROWWFHBUNII-JTQLQIEISA-N	0	1	212.293	0.355	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cnn(C)n2)C1	ZINC000886211769	592177374	/nfs/dbraw/zinc/17/73/74/592177374.db2.gz	XLVOLTRXZZTQFP-NSHDSACASA-N	0	1	233.319	0.002	20	30		BCEDMN
COCCN(CC#N)Cc1[nH]ncc1C	ZINC000886239361	592182783	/nfs/dbraw/zinc/18/27/83/592182783.db2.gz	VGMPSSUQRHBIIY-UHFFFAOYSA-N	0	1	208.265	0.690	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]2C1	ZINC000886329626	592209987	/nfs/dbraw/zinc/20/99/87/592209987.db2.gz	GYJFNBLDIXHPOW-LPEHRKFASA-N	0	1	237.303	0.338	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2C[C@@H]2C1	ZINC000886336392	592211644	/nfs/dbraw/zinc/21/16/44/592211644.db2.gz	QOONGKIQFURDDB-UTUOFQBUSA-N	0	1	235.331	0.946	20	30		BCEDMN
C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2C[C@@H]2C1	ZINC000886346100	592212965	/nfs/dbraw/zinc/21/29/65/592212965.db2.gz	AQLWALAVHJFLAW-GARJFASQSA-N	0	1	233.315	0.889	20	30		BCEDMN
C#CCN(C(=O)C1CC(=O)C1)C1CCN(C)CC1	ZINC000886579133	592267642	/nfs/dbraw/zinc/26/76/42/592267642.db2.gz	ZKIKUVYWASBSJN-UHFFFAOYSA-N	0	1	248.326	0.522	20	30		BCEDMN
CON=CC(=O)N1CCN(C)C[C@@H]1CC(C)C	ZINC000886597404	592272050	/nfs/dbraw/zinc/27/20/50/592272050.db2.gz	DAPMEANPCMGOJP-NSHDSACASA-N	0	1	241.335	0.807	20	30		BCEDMN
C[C@@]1(C#N)CN(C(=O)CN2CCCC2)CCO1	ZINC000887680234	592541142	/nfs/dbraw/zinc/54/11/42/592541142.db2.gz	ARERZAPCORKJSM-GFCCVEGCSA-N	0	1	237.303	0.223	20	30		BCEDMN
C[C@H](C(=O)NCc1nc(C#N)cs1)N(C)C	ZINC000887976925	592564556	/nfs/dbraw/zinc/56/45/56/592564556.db2.gz	YDFUJXVSPBTSKY-SSDOTTSWSA-N	0	1	238.316	0.581	20	30		BCEDMN
Cc1nc(CNC(=O)C#CC(C)C)n[nH]1	ZINC000889699285	592647279	/nfs/dbraw/zinc/64/72/79/592647279.db2.gz	AIRSWKSNFVXBPW-UHFFFAOYSA-N	0	1	206.249	0.389	20	30		BCEDMN
C=CCCOCC(=O)NCc1n[nH]c(C)n1	ZINC000889707530	592650780	/nfs/dbraw/zinc/65/07/80/592650780.db2.gz	VAIIIKUGKGTLKR-UHFFFAOYSA-N	0	1	224.264	0.322	20	30		BCEDMN
C#CCN(CC)C(=O)NC[C@H]1CCN1CC	ZINC000890071446	592676594	/nfs/dbraw/zinc/67/65/94/592676594.db2.gz	XMVYGZSEWHOIRH-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccnc(C#N)c1	ZINC000082668664	597366465	/nfs/dbraw/zinc/36/64/65/597366465.db2.gz	RBTHONQATPXTNQ-MRVPVSSYSA-N	0	1	219.244	0.858	20	30		BCEDMN
C[N@@H+](CCC(=O)[O-])Cc1ccnc(C#N)c1	ZINC000082668659	597366615	/nfs/dbraw/zinc/36/66/15/597366615.db2.gz	FJAVSXRVULYBCW-UHFFFAOYSA-N	0	1	219.244	0.860	20	30		BCEDMN
N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000819090992	597525451	/nfs/dbraw/zinc/52/54/51/597525451.db2.gz	NGEWSXSDSNMCSE-VHSXEESVSA-N	0	1	221.260	0.836	20	30		BCEDMN
N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000819090994	597525694	/nfs/dbraw/zinc/52/56/94/597525694.db2.gz	NGEWSXSDSNMCSE-ZJUUUORDSA-N	0	1	221.260	0.836	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1	ZINC000736106345	599950041	/nfs/dbraw/zinc/95/00/41/599950041.db2.gz	ALZKZILVEHQZAV-VIFPVBQESA-N	0	1	240.303	0.474	20	30		BCEDMN
N#CCCCC[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000043703549	599966045	/nfs/dbraw/zinc/96/60/45/599966045.db2.gz	FXEUTAJEGZXSBU-VIFPVBQESA-N	0	1	212.249	0.466	20	30		BCEDMN
N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000229081148	600141304	/nfs/dbraw/zinc/14/13/04/600141304.db2.gz	XVHRKNITPNZZCI-NEPJUHHUSA-N	0	1	246.266	0.578	20	30		BCEDMN
N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000229081148	600141306	/nfs/dbraw/zinc/14/13/06/600141306.db2.gz	XVHRKNITPNZZCI-NEPJUHHUSA-N	0	1	246.266	0.578	20	30		BCEDMN
C=CC[N@@H+](CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000309689238	601338329	/nfs/dbraw/zinc/33/83/29/601338329.db2.gz	PCIKSIUWPXLHRA-SECBINFHSA-N	0	1	247.316	0.136	20	30		BCEDMN
C=CC[N@H+](CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000309689238	601338332	/nfs/dbraw/zinc/33/83/32/601338332.db2.gz	PCIKSIUWPXLHRA-SECBINFHSA-N	0	1	247.316	0.136	20	30		BCEDMN
CC#CC[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738503545	603338141	/nfs/dbraw/zinc/33/81/41/603338141.db2.gz	RKUWQLDXKDIATP-SNVBAGLBSA-N	0	1	210.277	0.941	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)[O-]	ZINC000080991969	605853126	/nfs/dbraw/zinc/85/31/26/605853126.db2.gz	LINVTSHLAXJFOZ-JTQLQIEISA-N	0	1	240.303	0.618	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)[O-]	ZINC000080991969	605853128	/nfs/dbraw/zinc/85/31/28/605853128.db2.gz	LINVTSHLAXJFOZ-JTQLQIEISA-N	0	1	240.303	0.618	20	30		BCEDMN
C=C(C)Cn1cccc(-c2nn[nH]n2)c1=O	ZINC000823877685	608224493	/nfs/dbraw/zinc/22/44/93/608224493.db2.gz	CYAVKTCMIZSZDX-UHFFFAOYSA-N	0	1	217.232	0.605	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1CC1	ZINC000124950594	634444704	/nfs/dbraw/zinc/44/47/04/634444704.db2.gz	XKBFOGHTVLBEET-VIFPVBQESA-N	0	1	224.260	0.258	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCOC1	ZINC001027781226	635148646	/nfs/dbraw/zinc/14/86/46/635148646.db2.gz	GNNDJQNIGOLDRF-NWDGAFQWSA-N	0	1	236.315	0.237	20	30		BCEDMN
C=C(CC)CNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000909387766	634589631	/nfs/dbraw/zinc/58/96/31/634589631.db2.gz	PMBPGPJRJBYEDZ-PWSUYJOCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)C(C)(F)F)C1	ZINC001009857223	634605338	/nfs/dbraw/zinc/60/53/38/634605338.db2.gz	MHMBBLAADUZWDC-SECBINFHSA-N	0	1	230.258	0.855	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cccnn1	ZINC001028221484	635502630	/nfs/dbraw/zinc/50/26/30/635502630.db2.gz	KPUKYLQCNMBJNV-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2nnn(C)c2C)C1	ZINC001010413863	635610945	/nfs/dbraw/zinc/61/09/45/635610945.db2.gz	VYFHYGYFBAWIBG-SNVBAGLBSA-N	0	1	249.318	0.114	20	30		BCEDMN
C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482892	631264154	/nfs/dbraw/zinc/26/41/54/631264154.db2.gz	XOMZJFVUJRKSPN-VXGBXAGGSA-N	0	1	238.331	0.169	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482892	631264157	/nfs/dbraw/zinc/26/41/57/631264157.db2.gz	XOMZJFVUJRKSPN-VXGBXAGGSA-N	0	1	238.331	0.169	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000971512768	631288049	/nfs/dbraw/zinc/28/80/49/631288049.db2.gz	GGTWBGPNGLRQRX-CYBMUJFWSA-N	0	1	230.311	0.566	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cn(C)nc1C	ZINC000779804242	631547521	/nfs/dbraw/zinc/54/75/21/631547521.db2.gz	CDINDJUZCVCPDD-ZETCQYMHSA-N	0	1	234.307	0.390	20	30		BCEDMN
C#CCNC(=O)CN(CC)C[C@@H]1CCCO1	ZINC000051555967	631804448	/nfs/dbraw/zinc/80/44/48/631804448.db2.gz	ARSNXDQIXDIRLA-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CC1(O)CN(Cc2n[nH]c(C(C)C)n2)C1	ZINC000934450929	631841105	/nfs/dbraw/zinc/84/11/05/631841105.db2.gz	WKTOLPNFQKKVJV-UHFFFAOYSA-N	0	1	220.276	0.108	20	30		BCEDMN
C#CC1(O)CN([C@H](C)c2n[nH]c(CC)n2)C1	ZINC000934450640	631842376	/nfs/dbraw/zinc/84/23/76/631842376.db2.gz	MLHFMDYOWUFZGZ-MRVPVSSYSA-N	0	1	220.276	0.108	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)NC(=O)NC	ZINC000934472367	631866437	/nfs/dbraw/zinc/86/64/37/631866437.db2.gz	MQTDZWYENHTHCI-MRVPVSSYSA-N	0	1	211.265	0.092	20	30		BCEDMN
C=CC[C@H]1CCN1CCN1CCCS1(=O)=O	ZINC000934461728	631858221	/nfs/dbraw/zinc/85/82/21/631858221.db2.gz	TYOLJGODEQQXDS-NSHDSACASA-N	0	1	244.360	0.672	20	30		BCEDMN
C=CC[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O	ZINC000934473504	631867470	/nfs/dbraw/zinc/86/74/70/631867470.db2.gz	WTVWVRXQEJKZNE-YUMQZZPRSA-N	0	1	211.265	0.220	20	30		BCEDMN
C#C[C@H]1CCCCN1CCCS(N)(=O)=O	ZINC000934512175	631894057	/nfs/dbraw/zinc/89/40/57/631894057.db2.gz	FKJKGHLUPYBZBW-JTQLQIEISA-N	0	1	230.333	0.153	20	30		BCEDMN
C#C[C@H]1CCCCN1CCn1cncn1	ZINC000934512064	631895685	/nfs/dbraw/zinc/89/56/85/631895685.db2.gz	YPGZBYBVMIUKTH-NSHDSACASA-N	0	1	204.277	0.766	20	30		BCEDMN
CC[C@H](NN=C1CC[N@H+]2CCC[C@@H]12)C(=O)[O-]	ZINC000309349825	632005888	/nfs/dbraw/zinc/00/58/88/632005888.db2.gz	MPDXSUHFLBKGCR-WPRPVWTQSA-N	0	1	225.292	0.663	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1	ZINC000972513113	632393550	/nfs/dbraw/zinc/39/35/50/632393550.db2.gz	IKXFPZMUUTWNMT-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)C2CC2)C(C)(C)C1	ZINC000972721341	632647285	/nfs/dbraw/zinc/64/72/85/632647285.db2.gz	NAIXHMZSXIVMEW-NSHDSACASA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn[n-]1	ZINC001024522407	632757995	/nfs/dbraw/zinc/75/79/95/632757995.db2.gz	FNYNWJARRAEOTK-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn[n-]1	ZINC001024522406	632758587	/nfs/dbraw/zinc/75/85/87/632758587.db2.gz	FNYNWJARRAEOTK-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
C=C[C@@](C)(CCOC)C(=O)Nc1c[nH]nn1	ZINC000935597924	632851459	/nfs/dbraw/zinc/85/14/59/632851459.db2.gz	QCCYYESDMYSYEL-JTQLQIEISA-N	0	1	224.264	0.972	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](OC)C[C@@H]1C	ZINC000300934321	633044958	/nfs/dbraw/zinc/04/49/58/633044958.db2.gz	RJOKVUREYIBADG-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCCCCC(=O)C(C#N)C(=O)NC	ZINC000180740188	633047913	/nfs/dbraw/zinc/04/79/13/633047913.db2.gz	WEVSTUMPQLNXLA-SECBINFHSA-N	0	1	206.245	0.635	20	30		BCEDMN
Nc1ncccc1CN=Nc1cccnn1	ZINC000309655580	633220018	/nfs/dbraw/zinc/22/00/18/633220018.db2.gz	ZBMPDTHECWCZCE-UHFFFAOYSA-N	0	1	214.232	0.900	20	30		BCEDMN
CO[C@@H]1CN(CCO[C@@H](C)C#N)C[C@@H]1OC	ZINC000304220638	635936340	/nfs/dbraw/zinc/93/63/40/635936340.db2.gz	HMPBBLJJVIZXPK-GARJFASQSA-N	0	1	228.292	0.261	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1C	ZINC000928557963	636097776	/nfs/dbraw/zinc/09/77/76/636097776.db2.gz	VSURWDPRSGTVOT-GXSJLCMTSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1C	ZINC000928557966	636098802	/nfs/dbraw/zinc/09/88/02/636098802.db2.gz	VSURWDPRSGTVOT-ONGXEEELSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C	ZINC000909515064	636135093	/nfs/dbraw/zinc/13/50/93/636135093.db2.gz	OMDYRAUFWGBARF-SECBINFHSA-N	0	1	226.276	0.180	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)Cn1cc[nH+]c1C	ZINC000909515113	636135174	/nfs/dbraw/zinc/13/51/74/636135174.db2.gz	PPZBBVWFAXIDEA-UHFFFAOYSA-N	0	1	237.259	0.291	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)C[N@H+](C)C(C)C	ZINC000909515456	636135420	/nfs/dbraw/zinc/13/54/20/636135420.db2.gz	SGCSWRDDLMQWRX-UHFFFAOYSA-N	0	1	228.292	0.426	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1OCC	ZINC001025689072	633746600	/nfs/dbraw/zinc/74/66/00/633746600.db2.gz	LONPRKXBLOEZRY-LBELIVKGSA-N	0	1	248.326	0.091	20	30		BCEDMN
C=CCNC(=O)CNCc1cn(CC)nc1C	ZINC000893319207	634175580	/nfs/dbraw/zinc/17/55/80/634175580.db2.gz	QTPOTSAYVIWSLH-UHFFFAOYSA-N	0	1	236.319	0.603	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1	ZINC001027737591	635131028	/nfs/dbraw/zinc/13/10/28/635131028.db2.gz	RZDLPKQINAGLSL-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cnccn2)C1	ZINC001009968809	635155005	/nfs/dbraw/zinc/15/50/05/635155005.db2.gz	QTWHHLWKQOEUKM-LLVKDONJSA-N	0	1	244.298	0.304	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC001010064712	635180393	/nfs/dbraw/zinc/18/03/93/635180393.db2.gz	ZSZMYCBDNXXFCW-WDEREUQCSA-N	0	1	224.304	0.542	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1	ZINC000980391971	635217924	/nfs/dbraw/zinc/21/79/24/635217924.db2.gz	ULEJSEBEGUGFSZ-NSHDSACASA-N	0	1	246.314	0.200	20	30		BCEDMN
C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC000980538327	635236834	/nfs/dbraw/zinc/23/68/34/635236834.db2.gz	FDKILFMKEJCDSU-GFCCVEGCSA-N	0	1	246.314	0.049	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2nonc2C)C1	ZINC000980546121	635237260	/nfs/dbraw/zinc/23/72/60/635237260.db2.gz	REXSZIACJJUXJR-JTQLQIEISA-N	0	1	248.286	0.158	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn[n-]1	ZINC001027991423	635283103	/nfs/dbraw/zinc/28/31/03/635283103.db2.gz	CEETVKMRLPHHAM-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
N#CC[C@@H](O)C[N@H+]1CCC[C@@H](c2ncccn2)C1	ZINC000931747538	635303752	/nfs/dbraw/zinc/30/37/52/635303752.db2.gz	ADVYYXZDAPLIRE-VXGBXAGGSA-N	0	1	246.314	0.931	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@@H](c2ncccn2)C1	ZINC000931747538	635303764	/nfs/dbraw/zinc/30/37/64/635303764.db2.gz	ADVYYXZDAPLIRE-VXGBXAGGSA-N	0	1	246.314	0.931	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1C	ZINC001028062620	635342847	/nfs/dbraw/zinc/34/28/47/635342847.db2.gz	WEOHGARZEHZJJU-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001028084949	635357713	/nfs/dbraw/zinc/35/77/13/635357713.db2.gz	AWEGOUNQRSUZHM-NDBYEHHHSA-N	0	1	248.326	0.093	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc(C)nn2C)C1	ZINC001010341408	635380405	/nfs/dbraw/zinc/38/04/05/635380405.db2.gz	DLKJXXXGKLCFRG-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=C(Cl)CNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000896453437	636193397	/nfs/dbraw/zinc/19/33/97/636193397.db2.gz	UFRHNUODMBVVEO-SNVBAGLBSA-N	0	1	244.722	0.576	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@@H](NCC#N)[C@H]2C)n[nH]1	ZINC000986011891	636467612	/nfs/dbraw/zinc/46/76/12/636467612.db2.gz	SACYPUAXVIOFDU-NXEZZACHSA-N	0	1	247.302	0.434	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cnn(C)n1	ZINC000321085215	636562293	/nfs/dbraw/zinc/56/22/93/636562293.db2.gz	IVSXYOVLLPTFKA-VIFPVBQESA-N	0	1	210.281	0.232	20	30		BCEDMN
C#CC[C@@H]1C(=O)N(c2nccn2C)N=C1C	ZINC000899355915	637083157	/nfs/dbraw/zinc/08/31/57/637083157.db2.gz	FAVRYYZVOHIRBR-VIFPVBQESA-N	0	1	216.244	0.782	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN(C)C1CCC1	ZINC000900471273	637189208	/nfs/dbraw/zinc/18/92/08/637189208.db2.gz	IQBTVRYFBUJODP-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
C#CCN1CCC[C@@H](N[C@@H](C)c2cn(C)nn2)C1	ZINC000903092853	637343165	/nfs/dbraw/zinc/34/31/65/637343165.db2.gz	DSJJRENXAKRDAW-NWDGAFQWSA-N	0	1	247.346	0.563	20	30		BCEDMN
CN1CC[C@H]1C/N=C/c1ccc(O)c(O)c1O	ZINC000905004015	637541011	/nfs/dbraw/zinc/54/10/11/637541011.db2.gz	ZCBZWOMTXOBZKO-CVSYOPMASA-N	0	1	236.271	0.926	20	30		BCEDMN
N#Cc1cccc(CNCC[N+](=O)[O-])c1	ZINC000905036969	637556833	/nfs/dbraw/zinc/55/68/33/637556833.db2.gz	KOVFXGAOTCDMAS-UHFFFAOYSA-N	0	1	205.217	0.925	20	30		BCEDMN
CCn1ncc(/C=C2/C(=O)c3ncnn3C2C)n1	ZINC000905083863	637583175	/nfs/dbraw/zinc/58/31/75/637583175.db2.gz	GRJHVVSZEBOMBF-WDTYERQASA-N	0	1	244.258	0.730	20	30		BCEDMN
CC(=O)c1c[nH]c(C(=O)NCC#CCN(C)C)c1	ZINC000905153510	637635933	/nfs/dbraw/zinc/63/59/33/637635933.db2.gz	PKWCFKRPPWHIQH-UHFFFAOYSA-N	0	1	247.298	0.512	20	30		BCEDMN
C#CCNC(=O)NC1CCN(CC#C)CC1	ZINC000905146434	637656838	/nfs/dbraw/zinc/65/68/38/637656838.db2.gz	WIMGOQPPOIXYQA-UHFFFAOYSA-N	0	1	219.288	0.016	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nnc[nH]1	ZINC000906396859	638154001	/nfs/dbraw/zinc/15/40/01/638154001.db2.gz	KBYCWKBEEDFTSR-WPRPVWTQSA-N	0	1	236.275	0.402	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)c1[nH]ncc1F	ZINC000907437558	638376685	/nfs/dbraw/zinc/37/66/85/638376685.db2.gz	MZQPEYPWUFFKQF-SSDOTTSWSA-N	0	1	210.212	0.827	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@H](c2[nH]ncc2N)C1	ZINC000907416681	638378242	/nfs/dbraw/zinc/37/82/42/638378242.db2.gz	ISBCWMXCOGJCOU-JTQLQIEISA-N	0	1	246.314	0.967	20	30		BCEDMN
C=CCN(C)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907517614	638401210	/nfs/dbraw/zinc/40/12/10/638401210.db2.gz	DZNFWMPUBARCRE-MWLCHTKSSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=CCN(C)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907517606	638401655	/nfs/dbraw/zinc/40/16/55/638401655.db2.gz	DZNFWMPUBARCRE-GXSJLCMTSA-N	0	1	212.293	0.086	20	30		BCEDMN
CC(C)(NC(=O)C#CC1CC1)c1c[nH]nn1	ZINC000909725552	639213649	/nfs/dbraw/zinc/21/36/49/639213649.db2.gz	VFWDVRFARHWGMH-UHFFFAOYSA-N	0	1	218.260	0.569	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000910286979	639405729	/nfs/dbraw/zinc/40/57/29/639405729.db2.gz	LUKMHBJDCOXIAH-ZJUUUORDSA-N	0	1	240.303	0.616	20	30		BCEDMN
N#CC1(CNC(=O)Cc2cnc[nH]2)CCC1	ZINC000910944249	639548077	/nfs/dbraw/zinc/54/80/77/639548077.db2.gz	NTVQPWJXKQTTKH-UHFFFAOYSA-N	0	1	218.260	0.762	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)C1	ZINC000911287155	639618890	/nfs/dbraw/zinc/61/88/90/639618890.db2.gz	AOJUCBBSBDRJMX-NKWVEPMBSA-N	0	1	222.223	0.971	20	30		BCEDMN
CC(C)(NC[C@H](O)CC#N)C(=O)N1CCCC1	ZINC000930301762	639689734	/nfs/dbraw/zinc/68/97/34/639689734.db2.gz	YKGDUWCTKLPHRS-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@H](n2cccn2)C1	ZINC000930530908	639803925	/nfs/dbraw/zinc/80/39/25/639803925.db2.gz	FMAYIDMDXDOUCW-WDEREUQCSA-N	0	1	220.276	0.404	20	30		BCEDMN
C#C[C@](C)(CC)N[C@H]1CCN(OC)C1=O	ZINC000930602072	639817575	/nfs/dbraw/zinc/81/75/75/639817575.db2.gz	YJYRTHWCTFSDCQ-GXSJLCMTSA-N	0	1	210.277	0.540	20	30		BCEDMN
CN(C)C(=O)[C@H]1CCN(C[C@@H](C#N)CCC#N)C1	ZINC000930715543	639875770	/nfs/dbraw/zinc/87/57/70/639875770.db2.gz	JAGVCGDEZITYLJ-NEPJUHHUSA-N	0	1	248.330	0.840	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[C@]1(O)CCC[N@H+](C)C1	ZINC000911902713	639883791	/nfs/dbraw/zinc/88/37/91/639883791.db2.gz	DDTAFNPSEWADHS-ZYHUDNBSSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[C@]1(O)CCC[N@@H+](C)C1	ZINC000911902713	639883793	/nfs/dbraw/zinc/88/37/93/639883793.db2.gz	DDTAFNPSEWADHS-ZYHUDNBSSA-N	0	1	242.319	0.456	20	30		BCEDMN
CO[C@@H]1COC[C@H]1NCc1cncc(C#N)c1	ZINC000930816642	639919074	/nfs/dbraw/zinc/91/90/74/639919074.db2.gz	ANFAUUQUPFMMFS-VXGBXAGGSA-N	0	1	233.271	0.457	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1	ZINC000912049871	639935210	/nfs/dbraw/zinc/93/52/10/639935210.db2.gz	YGOBUMMTEYXUDY-JTQLQIEISA-N	0	1	217.272	0.824	20	30		BCEDMN
C[C@H](CC#N)NC[C@H]1CCC2(COC2)O1	ZINC000930869398	639963315	/nfs/dbraw/zinc/96/33/15/639963315.db2.gz	ZGKLDPIDKYQODN-NXEZZACHSA-N	0	1	210.277	0.826	20	30		BCEDMN
CN1CC[N@H+](C[C@H](O)CC#N)C[C@H]1C(C)(C)C	ZINC000930883707	639969943	/nfs/dbraw/zinc/96/99/43/639969943.db2.gz	UXULBRCYXCKTRU-NEPJUHHUSA-N	0	1	239.363	0.923	20	30		BCEDMN
C#CCN(C(=O)[C@H]1CCCN1C)C1CSC1	ZINC000912363154	640040378	/nfs/dbraw/zinc/04/03/78/640040378.db2.gz	KUFRZPHOVBHIKQ-LLVKDONJSA-N	0	1	238.356	0.658	20	30		BCEDMN
C#CCN(C(=O)c1ccn[nH]1)C1CSC1	ZINC000912372446	640044905	/nfs/dbraw/zinc/04/49/05/640044905.db2.gz	XRUUSFPPZBBRIK-UHFFFAOYSA-N	0	1	221.285	0.601	20	30		BCEDMN
C#CCN(C(=O)Cc1c[nH]cn1)C1CSC1	ZINC000912376458	640045858	/nfs/dbraw/zinc/04/58/58/640045858.db2.gz	XNWKNVCDMDBKAK-UHFFFAOYSA-N	0	1	235.312	0.529	20	30		BCEDMN
C=C[C@H](CO)NCc1cncc(C(=O)OC)c1	ZINC000931067731	640056409	/nfs/dbraw/zinc/05/64/09/640056409.db2.gz	RTMDISRULBHIKC-LLVKDONJSA-N	0	1	236.271	0.505	20	30		BCEDMN
C#CC1(O)CCN([C@@H](C)c2cnccn2)CC1	ZINC000931151120	640077989	/nfs/dbraw/zinc/07/79/89/640077989.db2.gz	NMGIKNCHYDRXIC-NSHDSACASA-N	0	1	231.299	0.998	20	30		BCEDMN
C#CC1(O)CCN(CCOC(F)F)CC1	ZINC000931151640	640080203	/nfs/dbraw/zinc/08/02/03/640080203.db2.gz	QNUXHLGPXBTCLS-UHFFFAOYSA-N	0	1	219.231	0.686	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21	ZINC000912450143	640080814	/nfs/dbraw/zinc/08/08/14/640080814.db2.gz	IKDKERCMZQUETD-QWRGUYRKSA-N	0	1	222.288	0.684	20	30		BCEDMN
CC(C)N1CCC[C@H]1C(=O)N(CC#N)CC#N	ZINC000931298257	640140247	/nfs/dbraw/zinc/14/02/47/640140247.db2.gz	YOWJXTYJCSIPMD-NSHDSACASA-N	0	1	234.303	0.735	20	30		BCEDMN
C=CCOCC(=O)N1CC[C@H](N2CCC2)C1	ZINC000912917932	640244357	/nfs/dbraw/zinc/24/43/57/640244357.db2.gz	QPONRZCKWLIOGD-NSHDSACASA-N	0	1	224.304	0.496	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000912905036	640248262	/nfs/dbraw/zinc/24/82/62/640248262.db2.gz	XWPHMGGFIVOEKD-CMPLNLGQSA-N	0	1	224.304	0.230	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000912904075	640249597	/nfs/dbraw/zinc/24/95/97/640249597.db2.gz	VPHSPVRKIHFSLH-QWRGUYRKSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN(C)CC#CCNC(=O)NCC(F)F	ZINC000931633495	640295667	/nfs/dbraw/zinc/29/56/67/640295667.db2.gz	GPSXYXUGYOLHLJ-UHFFFAOYSA-N	0	1	219.235	0.116	20	30		BCEDMN
CC1(C)CNC(=O)[C@H]1NCc1cncc(C#N)c1	ZINC000931652199	640305263	/nfs/dbraw/zinc/30/52/63/640305263.db2.gz	NPVOJVSNEFBEHX-LLVKDONJSA-N	0	1	244.298	0.567	20	30		BCEDMN
CC[C@@H](CO)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000931773449	640366590	/nfs/dbraw/zinc/36/65/90/640366590.db2.gz	TUZYOAHUONAXPM-RYUDHWBXSA-N	0	1	247.298	0.445	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1ncccn1	ZINC000931814303	640373177	/nfs/dbraw/zinc/37/31/77/640373177.db2.gz	FNDRFVWDKFZSPQ-UHFFFAOYSA-N	0	1	233.275	0.163	20	30		BCEDMN
Cc1nocc1NC(=O)NCC#CCN(C)C	ZINC000931816087	640375734	/nfs/dbraw/zinc/37/57/34/640375734.db2.gz	VLFKWYIJGRKLCH-UHFFFAOYSA-N	0	1	236.275	0.670	20	30		BCEDMN
CS[C@H](C)CC(=O)NCC#CCN(C)C	ZINC000913520495	640381612	/nfs/dbraw/zinc/38/16/12/640381612.db2.gz	RNQNQBNNGYTASB-SNVBAGLBSA-N	0	1	228.361	0.809	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1(F)CCCC1	ZINC000913521385	640383081	/nfs/dbraw/zinc/38/30/81/640383081.db2.gz	WYHDJIQGAFYPFE-UHFFFAOYSA-N	0	1	226.295	0.950	20	30		BCEDMN
CC(C)OCCCC(=O)NCC#CCN(C)C	ZINC000913521292	640383342	/nfs/dbraw/zinc/38/33/42/640383342.db2.gz	SJOCXWZPTGFXQC-UHFFFAOYSA-N	0	1	240.347	0.873	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCc1ccnn1C	ZINC000913521190	640383749	/nfs/dbraw/zinc/38/37/49/640383749.db2.gz	ODVADLVYGSLOIC-UHFFFAOYSA-N	0	1	248.330	0.034	20	30		BCEDMN
C#CCN1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	ZINC000932064784	640418836	/nfs/dbraw/zinc/41/88/36/640418836.db2.gz	UTJWXKNHYZWSJC-OUAUKWLOSA-N	0	1	207.273	0.751	20	30		BCEDMN
N#CCCOCCN1C2CCC1(C(N)=O)CC2	ZINC000932934884	640647315	/nfs/dbraw/zinc/64/73/15/640647315.db2.gz	RJHIKYPZQGPVGI-UHFFFAOYSA-N	0	1	237.303	0.399	20	30		BCEDMN
C#CCC1(N[C@@H](C)c2nnnn2C)CCC1	ZINC000933296716	640700783	/nfs/dbraw/zinc/70/07/83/640700783.db2.gz	LSUYTUFAJMHDAC-VIFPVBQESA-N	0	1	219.292	0.807	20	30		BCEDMN
C#CCC1([NH2+]Cc2nc(=O)n(C)[n-]2)CCC1	ZINC000933299778	640702975	/nfs/dbraw/zinc/70/29/75/640702975.db2.gz	WNTJIYLDFWUDLX-UHFFFAOYSA-N	0	1	220.276	0.144	20	30		BCEDMN
Cc1nc([C@H](C)N2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000933611389	640734612	/nfs/dbraw/zinc/73/46/12/640734612.db2.gz	YAYNWWZWESWRCC-GZMMTYOYSA-N	0	1	235.291	0.789	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cocn2)C[C@@H]1C	ZINC000947114213	640795135	/nfs/dbraw/zinc/79/51/35/640795135.db2.gz	ZEMKGTSBHNHRQZ-WDEREUQCSA-N	0	1	247.298	0.891	20	30		BCEDMN
C=CCOCCN1CCO[C@@H]2COCC[C@@H]21	ZINC000933966093	640798075	/nfs/dbraw/zinc/79/80/75/640798075.db2.gz	ZVIYABXUSBGRIQ-NWDGAFQWSA-N	0	1	227.304	0.679	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCOC1	ZINC000171037201	640950574	/nfs/dbraw/zinc/95/05/74/640950574.db2.gz	HLLQXHARUCBCKZ-ZJUUUORDSA-N	0	1	238.287	0.646	20	30		BCEDMN
CO[C@@H]1CC[C@H]1N(C)CC(=O)NCCC#N	ZINC000934128304	641087783	/nfs/dbraw/zinc/08/77/83/641087783.db2.gz	RNWYMNNTYNFNHY-NXEZZACHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CC[C@@H]1CCN1CCS(=O)(=O)N(C)C	ZINC000934463367	641156034	/nfs/dbraw/zinc/15/60/34/641156034.db2.gz	HNWABPVHITUGNC-SNVBAGLBSA-N	0	1	232.349	0.528	20	30		BCEDMN
C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCOCC1	ZINC000934472962	641166322	/nfs/dbraw/zinc/16/63/22/641166322.db2.gz	VTCDCLWIIBWROJ-LLVKDONJSA-N	0	1	224.304	0.496	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)N1CCOCC1	ZINC000934472962	641166330	/nfs/dbraw/zinc/16/63/30/641166330.db2.gz	VTCDCLWIIBWROJ-LLVKDONJSA-N	0	1	224.304	0.496	20	30		BCEDMN
C#C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)NC	ZINC000934512556	641180038	/nfs/dbraw/zinc/18/00/38/641180038.db2.gz	QILBLBRBGJKELR-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C#C[C@H]1CCCCN1CCCS(=O)(=O)NC	ZINC000934512556	641180042	/nfs/dbraw/zinc/18/00/42/641180042.db2.gz	QILBLBRBGJKELR-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1C(=O)CN(C)C1=O	ZINC000934515251	641182042	/nfs/dbraw/zinc/18/20/42/641182042.db2.gz	IUTBGTKSZNKGBI-LLVKDONJSA-N	0	1	249.314	0.368	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2ccc(C=O)cn2)NO1	ZINC000935136183	641346136	/nfs/dbraw/zinc/34/61/36/641346136.db2.gz	WFFRRTWKPMWGCE-ZETCQYMHSA-N	0	1	233.227	0.746	20	30		BCEDMN
N#CC1(C(=O)Nc2c[nH]nn2)CCSCC1	ZINC000935594749	641436634	/nfs/dbraw/zinc/43/66/34/641436634.db2.gz	MKDSLSPIXYQBLX-UHFFFAOYSA-N	0	1	237.288	0.780	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@H]1CC(C)C	ZINC000913906029	641518430	/nfs/dbraw/zinc/51/84/30/641518430.db2.gz	FLWOIMCFDXBENE-GFCCVEGCSA-N	0	1	237.347	0.991	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnco2)C[C@@H]1C	ZINC000947584760	641747768	/nfs/dbraw/zinc/74/77/68/641747768.db2.gz	LUVQNPPZMOHXFQ-QWRGUYRKSA-N	0	1	247.298	0.891	20	30		BCEDMN
CC#CCNC(=O)Cc1n[nH]c2c1CCCC2	ZINC000188738457	641766624	/nfs/dbraw/zinc/76/66/24/641766624.db2.gz	CUIVPXYAKVCUDU-UHFFFAOYSA-N	0	1	231.299	0.971	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](N(C)C(C)=O)CC1	ZINC000948108347	641774110	/nfs/dbraw/zinc/77/41/10/641774110.db2.gz	CAQZWUXGWHOBPW-GFCCVEGCSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCSCCNC(=O)NC[C@@H]1CCN1C	ZINC000915204269	641807677	/nfs/dbraw/zinc/80/76/77/641807677.db2.gz	APPIOEXXNAHXIP-JTQLQIEISA-N	0	1	243.376	0.909	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC(C)(C)C	ZINC000193412099	641808962	/nfs/dbraw/zinc/80/89/62/641808962.db2.gz	WUPWFGHHBQGWPX-VIFPVBQESA-N	0	1	240.303	0.894	20	30		BCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)CC(C)(C)C#N	ZINC000915648392	641846188	/nfs/dbraw/zinc/84/61/88/641846188.db2.gz	LVQMEKXDFFSWHE-VIFPVBQESA-N	0	1	247.364	0.406	20	30		BCEDMN
C#CCCCNc1nc2[nH]ncc2c(=O)[nH]1	ZINC000191763575	641942555	/nfs/dbraw/zinc/94/25/55/641942555.db2.gz	KOEOTIDYKTUMKC-UHFFFAOYSA-N	0	1	217.232	0.472	20	30		BCEDMN
C#CC1(F)CN(C(=O)NC[C@H]2CCN2C)C1	ZINC000925430614	641969091	/nfs/dbraw/zinc/96/90/91/641969091.db2.gz	AHDBIXOXNSMNTJ-SECBINFHSA-N	0	1	225.267	0.057	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)NC[C@H]2CCN2C)C1	ZINC000925431746	641984598	/nfs/dbraw/zinc/98/45/98/641984598.db2.gz	YHZNYEOPCJJGML-NWDGAFQWSA-N	0	1	235.331	0.745	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1CC1	ZINC000916891123	641984710	/nfs/dbraw/zinc/98/47/10/641984710.db2.gz	QEKNWQPYFPBNCE-VIFPVBQESA-N	0	1	224.260	0.258	20	30		BCEDMN
C=CCN(CC(=O)NCCC(=O)OC)C(C)C	ZINC000917070864	642002853	/nfs/dbraw/zinc/00/28/53/642002853.db2.gz	IIGUBMYHMRNVIN-UHFFFAOYSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCN(CC(=O)NC(=O)NCC)C(C)C	ZINC000917071036	642003063	/nfs/dbraw/zinc/00/30/63/642003063.db2.gz	MVSFSJAOOAOPDK-UHFFFAOYSA-N	0	1	227.308	0.729	20	30		BCEDMN
C=CCN(CC(=O)N1CCNC1=O)C(C)C	ZINC000917167171	642022827	/nfs/dbraw/zinc/02/28/27/642022827.db2.gz	YKMOCJGTSUZFBV-UHFFFAOYSA-N	0	1	225.292	0.435	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccccn2)C1	ZINC001031506130	642240785	/nfs/dbraw/zinc/24/07/85/642240785.db2.gz	KJRTUFROUMVTJW-UHFFFAOYSA-N	0	1	231.299	0.929	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@H]2C)C1	ZINC001031519764	642261262	/nfs/dbraw/zinc/26/12/62/642261262.db2.gz	HSBCBXKJDLNCEL-KOLCDFICSA-N	0	1	208.305	0.876	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@@H]2OCC)C1	ZINC001031565531	642316429	/nfs/dbraw/zinc/31/64/29/642316429.db2.gz	NSFQPUZOLHZJCC-RYUDHWBXSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@H]2OCC)C1	ZINC001031565530	642316972	/nfs/dbraw/zinc/31/69/72/642316972.db2.gz	NSFQPUZOLHZJCC-NWDGAFQWSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cocn2)C1	ZINC001031579751	642333740	/nfs/dbraw/zinc/33/37/40/642333740.db2.gz	LFDIENHZPGNPJG-UHFFFAOYSA-N	0	1	221.260	0.522	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cn(C)cn2)C1	ZINC001031615645	642389358	/nfs/dbraw/zinc/38/93/58/642389358.db2.gz	SYAMYQOKQHSGTB-UHFFFAOYSA-N	0	1	246.314	0.105	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2c[nH]c(C#N)c2)C1	ZINC001031621472	642397145	/nfs/dbraw/zinc/39/71/45/642397145.db2.gz	JHZBZPCQGHBQSG-UHFFFAOYSA-N	0	1	244.298	0.734	20	30		BCEDMN
C#CCSCCNC(=O)NC[C@H]1CCN1C	ZINC000919875408	642400556	/nfs/dbraw/zinc/40/05/56/642400556.db2.gz	TWOLOOQHESJMMY-SNVBAGLBSA-N	0	1	241.360	0.356	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cncnc2)C1	ZINC001031630089	642411268	/nfs/dbraw/zinc/41/12/68/642411268.db2.gz	XZVCLISWLFFQHL-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
CCC1(CC)CNC(=O)[C@H]1NC[C@H](O)CC#N	ZINC000933286359	642462623	/nfs/dbraw/zinc/46/26/23/642462623.db2.gz	NVWHDJDDILDTSX-NXEZZACHSA-N	0	1	239.319	0.155	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCSCC1	ZINC000308181518	642479991	/nfs/dbraw/zinc/47/99/91/642479991.db2.gz	HNOCOZGMPTXECG-VIFPVBQESA-N	0	1	200.307	0.964	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nn(C)cc2C)C1	ZINC001031660166	642504869	/nfs/dbraw/zinc/50/48/69/642504869.db2.gz	CISXHJUHIGCLLI-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2ncc[nH]2)C1	ZINC001007287585	642660642	/nfs/dbraw/zinc/66/06/42/642660642.db2.gz	RSXDQKUAZOHURZ-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1	ZINC000960476219	642664819	/nfs/dbraw/zinc/66/48/19/642664819.db2.gz	ICTRRPIOJJBHKD-JZYVYDRUSA-N	0	1	247.323	0.436	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CC2	ZINC000961863436	642706779	/nfs/dbraw/zinc/70/67/79/642706779.db2.gz	BGBODXPLBDSHTC-WHOHXGKFSA-N	0	1	230.311	0.466	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1	ZINC000962144571	642717132	/nfs/dbraw/zinc/71/71/32/642717132.db2.gz	ODGALPAMQJWXJN-SFTQSGBHSA-N	0	1	248.326	0.093	20	30		BCEDMN
CCc1cc(C(=O)N2CC[C@@H](NCC#N)C2)n[nH]1	ZINC000967263536	642798643	/nfs/dbraw/zinc/79/86/43/642798643.db2.gz	NNAWRNKTZYRWAE-SNVBAGLBSA-N	0	1	247.302	0.300	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cn2nccn2)C1	ZINC001007424418	642826701	/nfs/dbraw/zinc/82/67/01/642826701.db2.gz	NJDVNPYGYGZBDU-NSHDSACASA-N	0	1	249.318	0.045	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cn2nccn2)C1	ZINC001007424416	642827450	/nfs/dbraw/zinc/82/74/50/642827450.db2.gz	NJDVNPYGYGZBDU-LLVKDONJSA-N	0	1	249.318	0.045	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2cncn2C)C1	ZINC001007803194	642830720	/nfs/dbraw/zinc/83/07/20/642830720.db2.gz	DDWVHKMUWIPKEZ-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
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C=CCN1CC[C@H](NC(=O)c2cn(CC)cn2)C1	ZINC001016004194	642947065	/nfs/dbraw/zinc/94/70/65/642947065.db2.gz	ARVMPUJUXHAARL-NSHDSACASA-N	0	1	248.330	0.893	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1	ZINC001016158506	642947166	/nfs/dbraw/zinc/94/71/66/642947166.db2.gz	CUHSHPJXWZXGKE-LLVKDONJSA-N	0	1	247.298	0.777	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016245033	642954825	/nfs/dbraw/zinc/95/48/25/642954825.db2.gz	BPLKSGHQCWQLQN-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016245033	642954829	/nfs/dbraw/zinc/95/48/29/642954829.db2.gz	BPLKSGHQCWQLQN-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N	ZINC001017418680	642974544	/nfs/dbraw/zinc/97/45/44/642974544.db2.gz	NYUPTQSGSRGGCB-GARJFASQSA-N	0	1	221.304	0.841	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2c[nH]nc2C)C1	ZINC001031886927	642982979	/nfs/dbraw/zinc/98/29/79/642982979.db2.gz	CUHSYHWQTIBLOM-UHFFFAOYSA-N	0	1	248.330	0.956	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2c(C)cnn2C)C1	ZINC001031908976	643031393	/nfs/dbraw/zinc/03/13/93/643031393.db2.gz	YXDYVQUZMPQRJT-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C#CCOCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000160155068	643074121	/nfs/dbraw/zinc/07/41/21/643074121.db2.gz	BHLGSOVQLYGZHR-SNVBAGLBSA-N	0	1	249.314	0.805	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1	ZINC000941849946	643146480	/nfs/dbraw/zinc/14/64/80/643146480.db2.gz	KKXPETCWQMYCLE-CMPLNLGQSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001031987237	643158056	/nfs/dbraw/zinc/15/80/56/643158056.db2.gz	ZUVLQMCLNDCMNU-ZYHUDNBSSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ccnn2C)C1	ZINC000969385173	643160517	/nfs/dbraw/zinc/16/05/17/643160517.db2.gz	NGVBSFWTCYLWLB-SNVBAGLBSA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ccnnc2)C1	ZINC001032004573	643177270	/nfs/dbraw/zinc/17/72/70/643177270.db2.gz	KVBPUUJAYNPKJW-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ccncn2)C1	ZINC001032060066	643220193	/nfs/dbraw/zinc/22/01/93/643220193.db2.gz	GHYFYLOIBUCMGU-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccncn2)C1	ZINC001032059456	643220340	/nfs/dbraw/zinc/22/03/40/643220340.db2.gz	CYFBQRVEWMYHCO-UHFFFAOYSA-N	0	1	232.287	0.324	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2ncccn2)C1	ZINC001032065282	643225019	/nfs/dbraw/zinc/22/50/19/643225019.db2.gz	WZLHLNBNFFKIJH-UHFFFAOYSA-N	0	1	246.314	0.714	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cccnn2)C1	ZINC001032067828	643228528	/nfs/dbraw/zinc/22/85/28/643228528.db2.gz	ZWNWRLOWTYDXEI-UHFFFAOYSA-N	0	1	232.287	0.324	20	30		BCEDMN
C#CC[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](C)C1	ZINC000943715721	643255307	/nfs/dbraw/zinc/25/53/07/643255307.db2.gz	ABTUPWBYYDRSNK-NXEZZACHSA-N	0	1	248.286	0.143	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cnon2)[C@H](C)C1	ZINC000943715721	643255313	/nfs/dbraw/zinc/25/53/13/643255313.db2.gz	ABTUPWBYYDRSNK-NXEZZACHSA-N	0	1	248.286	0.143	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2cccnn2)C1	ZINC001015886451	643268320	/nfs/dbraw/zinc/26/83/20/643268320.db2.gz	JARHMTBVMDTKJW-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cncn2C)C1	ZINC000970069431	643281086	/nfs/dbraw/zinc/28/10/86/643281086.db2.gz	BHQQECUMJXTDGQ-SNVBAGLBSA-N	0	1	248.330	0.656	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2[nH]nnc2C)C1	ZINC000970249150	643403606	/nfs/dbraw/zinc/40/36/06/643403606.db2.gz	UFZXGTPXJMHUPU-QMMMGPOBSA-N	0	1	249.318	0.349	20	30		BCEDMN
C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1	ZINC001032288062	643451579	/nfs/dbraw/zinc/45/15/79/643451579.db2.gz	GKQMOFMGAZFVIK-QWRGUYRKSA-N	0	1	246.314	0.885	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1	ZINC001032289754	643454840	/nfs/dbraw/zinc/45/48/40/643454840.db2.gz	FCGWBWYDTCBRNG-QWRGUYRKSA-N	0	1	244.298	0.332	20	30		BCEDMN
C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1	ZINC001032317334	643494840	/nfs/dbraw/zinc/49/48/40/643494840.db2.gz	LEJLECKPLSEWEW-QWRGUYRKSA-N	0	1	244.298	0.250	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2c[nH]nn2)cn1	ZINC000735051545	643522356	/nfs/dbraw/zinc/52/23/56/643522356.db2.gz	ZTVWBRXQLJWPSG-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2cnn[nH]2)cn1	ZINC000735051545	643522363	/nfs/dbraw/zinc/52/23/63/643522363.db2.gz	ZTVWBRXQLJWPSG-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2nccn2CC)C1	ZINC001010806178	643572974	/nfs/dbraw/zinc/57/29/74/643572974.db2.gz	NOBRQQIVECNGHD-NSHDSACASA-N	0	1	248.330	0.893	20	30		BCEDMN
N#Cc1cc(CN[C@@H]2CCCNC2=O)cs1	ZINC000921627677	643632651	/nfs/dbraw/zinc/63/26/51/643632651.db2.gz	KXGMLIZHFDQDHH-SNVBAGLBSA-N	0	1	235.312	0.988	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccncc2)C1	ZINC000970961006	643637421	/nfs/dbraw/zinc/63/74/21/643637421.db2.gz	XONBVIZKZWIMJC-ZDUSSCGKSA-N	0	1	243.310	0.861	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1	ZINC000971049125	643686462	/nfs/dbraw/zinc/68/64/62/643686462.db2.gz	AFKPFVZYUXHRDK-GFCCVEGCSA-N	0	1	246.314	0.200	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1	ZINC000971057973	643689644	/nfs/dbraw/zinc/68/96/44/643689644.db2.gz	DLBYKBPBUUVPAJ-NSHDSACASA-N	0	1	231.299	0.794	20	30		BCEDMN
N#CCN[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC000998589465	643713874	/nfs/dbraw/zinc/71/38/74/643713874.db2.gz	UACJQDTXQBDBFE-SECBINFHSA-N	0	1	233.275	0.127	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)[C@H]2CCOC2)CC1	ZINC001000496949	643786035	/nfs/dbraw/zinc/78/60/35/643786035.db2.gz	SDTKHZKOJHLMIU-ZDUSSCGKSA-N	0	1	248.326	0.404	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NC[C@H]1CCN1C	ZINC000921881719	643816816	/nfs/dbraw/zinc/81/68/16/643816816.db2.gz	UTIUHDGLSZDQJY-DTWKUNHWSA-N	0	1	210.281	0.149	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ccns2)CC1	ZINC001002940131	643860802	/nfs/dbraw/zinc/86/08/02/643860802.db2.gz	MNVSEMGDKSBOPZ-UHFFFAOYSA-N	0	1	249.339	0.971	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2cnco2)CC1	ZINC001003394750	643887765	/nfs/dbraw/zinc/88/77/65/643887765.db2.gz	AVEMRHZZORHIIH-UHFFFAOYSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CC1(NC(=O)C2=NC(=O)N(C)C2)CCCC1	ZINC000922217792	643907659	/nfs/dbraw/zinc/90/76/59/643907659.db2.gz	BPNPXSYRTIZYOE-UHFFFAOYSA-N	0	1	233.271	0.802	20	30		BCEDMN
C#CCNCC(=O)NCc1cccc(C)c1	ZINC000086156866	643933156	/nfs/dbraw/zinc/93/31/56/643933156.db2.gz	BJDWQGOQOYEZRJ-UHFFFAOYSA-N	0	1	216.284	0.834	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCC1(C#N)CC1	ZINC000922315864	643966453	/nfs/dbraw/zinc/96/64/53/643966453.db2.gz	URFUMENROJQHLM-SECBINFHSA-N	0	1	222.292	0.293	20	30		BCEDMN
Cn1nccc1[C@@H](O)CNCc1ccc(C#N)o1	ZINC000922972374	644209685	/nfs/dbraw/zinc/20/96/85/644209685.db2.gz	INZWJNDZXZNCFK-LBPRGKRZSA-N	0	1	246.270	0.708	20	30		BCEDMN
N#C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC000079825863	644212767	/nfs/dbraw/zinc/21/27/67/644212767.db2.gz	UGTVTQGRDVATHC-QMMMGPOBSA-N	0	1	204.233	0.785	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NC[C@H]1CCN1C	ZINC000923086905	644263963	/nfs/dbraw/zinc/26/39/63/644263963.db2.gz	RCUZDAKKAMOXBQ-RKDXNWHRSA-N	0	1	213.281	0.496	20	30		BCEDMN
C=CCONC(=O)N1CCN(C(C)C)CC1	ZINC000838701858	644544170	/nfs/dbraw/zinc/54/41/70/644544170.db2.gz	HDQJORHSPJKOTH-UHFFFAOYSA-N	0	1	227.308	0.840	20	30		BCEDMN
CO[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1	ZINC000749733317	644594888	/nfs/dbraw/zinc/59/48/88/644594888.db2.gz	NNNANABGKHDWEM-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
Cc1ccc(N=NCc2cnc[nH]2)nn1	ZINC000755700940	644618648	/nfs/dbraw/zinc/61/86/48/644618648.db2.gz	WXTSBPLAJMBAAL-UHFFFAOYSA-N	0	1	202.221	0.954	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2	ZINC000759834370	644644513	/nfs/dbraw/zinc/64/45/13/644644513.db2.gz	PFGJTSULOXPDCB-SFYZADRCSA-N	0	1	206.245	0.631	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(C#N)s2)N1	ZINC000779804575	644717222	/nfs/dbraw/zinc/71/72/22/644717222.db2.gz	FQIMVPZCHGEXAV-ZETCQYMHSA-N	0	1	233.300	0.891	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1	ZINC000958098250	644775980	/nfs/dbraw/zinc/77/59/80/644775980.db2.gz	LQQLVWGTUGJZND-PJXYFTJBSA-N	0	1	244.294	0.963	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C	ZINC000958185738	644780883	/nfs/dbraw/zinc/78/08/83/644780883.db2.gz	UICXLVSMDPQKGQ-ITGUQSILSA-N	0	1	244.294	0.881	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C	ZINC000958352650	644791013	/nfs/dbraw/zinc/79/10/13/644791013.db2.gz	WPHDXAKDXAGYKG-IAZYJMLFSA-N	0	1	245.282	0.276	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC(C)(C)C1	ZINC000796800811	644813181	/nfs/dbraw/zinc/81/31/81/644813181.db2.gz	YJVXGFNZKUXZIL-MRVPVSSYSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1	ZINC000958646451	644816391	/nfs/dbraw/zinc/81/63/91/644816391.db2.gz	FLVZOKOXEBABFE-ITGUQSILSA-N	0	1	246.310	0.013	20	30		BCEDMN
N=C(N)NN=Cc1ccc(-n2cccn2)cc1	ZINC000252453607	644852487	/nfs/dbraw/zinc/85/24/87/644852487.db2.gz	OYQIWTKODCDDOM-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
CCN(CCO[C@@H](C)C#N)CC(=O)N(C)C	ZINC000304205486	644875542	/nfs/dbraw/zinc/87/55/42/644875542.db2.gz	CWEGVPVPYZDGHH-JTQLQIEISA-N	0	1	227.308	0.325	20	30		BCEDMN
CCCCN(CCO[C@H](C)C#N)CC(N)=O	ZINC000304245025	644882853	/nfs/dbraw/zinc/88/28/53/644882853.db2.gz	OZHDFIKFQSPKPT-SNVBAGLBSA-N	0	1	227.308	0.502	20	30		BCEDMN
Cc1n[nH]cc1C(C)N=Nc1cnnn1C	ZINC000814984332	644947303	/nfs/dbraw/zinc/94/73/03/644947303.db2.gz	XCQLGOISJKEWGQ-UHFFFAOYSA-N	0	1	219.252	0.683	20	30		BCEDMN
Cc1nn(C)cc1C(C)N=Nc1cnnn1C	ZINC000814984243	644947932	/nfs/dbraw/zinc/94/79/32/644947932.db2.gz	UZFKJMLBNZGTNC-UHFFFAOYSA-N	0	1	233.279	0.693	20	30		BCEDMN
CN1CCN(N=Cc2ccncc2N)CC1	ZINC000819801051	645019804	/nfs/dbraw/zinc/01/98/04/645019804.db2.gz	KOAITZYLSCXZPC-UHFFFAOYSA-N	0	1	219.292	0.245	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)Cc1n[nH]c(C)n1	ZINC000834363350	645137979	/nfs/dbraw/zinc/13/79/79/645137979.db2.gz	BKXGJQUQWOCQBH-VIFPVBQESA-N	0	1	220.276	0.574	20	30		BCEDMN
CC(C)COCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834521596	645143145	/nfs/dbraw/zinc/14/31/45/645143145.db2.gz	NTTIZIJWWFCGLZ-MNOVXSKESA-N	0	1	239.319	0.277	20	30		BCEDMN
CCOCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834521244	645143563	/nfs/dbraw/zinc/14/35/63/645143563.db2.gz	FQJUHLZHGBPIED-ZJUUUORDSA-N	0	1	225.292	0.031	20	30		BCEDMN
CCOCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834521243	645143627	/nfs/dbraw/zinc/14/36/27/645143627.db2.gz	FQJUHLZHGBPIED-VHSXEESVSA-N	0	1	225.292	0.031	20	30		BCEDMN
C[C@H]1CC(N=Nc2ccncn2)C[N@H+]1C	ZINC000835002921	645157323	/nfs/dbraw/zinc/15/73/23/645157323.db2.gz	URQSLMIUUYGHRN-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@H]1CC(N=Nc2ccncn2)CN1C	ZINC000835002921	645157329	/nfs/dbraw/zinc/15/73/29/645157329.db2.gz	URQSLMIUUYGHRN-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C#CCNC(=O)NC[C@@H](N)c1ccccc1OC	ZINC000841506235	645217029	/nfs/dbraw/zinc/21/70/29/645217029.db2.gz	NQSJHCSLUSHGHL-LLVKDONJSA-N	0	1	247.298	0.627	20	30		BCEDMN
C=CCCc1noc([C@@H]2CNCCO2)n1	ZINC000843237798	645272640	/nfs/dbraw/zinc/27/26/40/645272640.db2.gz	HMQLHNJPEWMWKL-QMMMGPOBSA-N	0	1	209.249	0.849	20	30		BCEDMN
C#CCNCC(=O)N(C)Cc1ccc(OC)cc1	ZINC000105964408	645368423	/nfs/dbraw/zinc/36/84/23/645368423.db2.gz	ACIAEJFXHJNPGX-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
CC[C@H]1COC[C@H]1N1CCN(CCC#N)CC1	ZINC000926807242	645440641	/nfs/dbraw/zinc/44/06/41/645440641.db2.gz	KBMMKZLPAXQNSQ-QWHCGFSZSA-N	0	1	237.347	0.943	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927696994	645640085	/nfs/dbraw/zinc/64/00/85/645640085.db2.gz	HEEHRFMUDQWOMG-ZDUSSCGKSA-N	0	1	249.314	0.701	20	30		BCEDMN
CC#CC(=O)N[C@@H]1CCCN2CCSC[C@H]12	ZINC000928087951	645701905	/nfs/dbraw/zinc/70/19/05/645701905.db2.gz	WRTBHOHFTMJQNS-GHMZBOCLSA-N	0	1	238.356	0.706	20	30		BCEDMN
C#CCOCCN1CCC[C@@H]2CCNC(=O)[C@H]21	ZINC000880527825	645835774	/nfs/dbraw/zinc/83/57/74/645835774.db2.gz	VOPFTWZESUEPFC-NEPJUHHUSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCOCCN1CCC[C@H]2CCNC(=O)[C@@H]21	ZINC000880527827	645835790	/nfs/dbraw/zinc/83/57/90/645835790.db2.gz	VOPFTWZESUEPFC-NWDGAFQWSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN(C(=O)Cc1ncn[nH]1)C(C)C	ZINC000928624454	645847760	/nfs/dbraw/zinc/84/77/60/645847760.db2.gz	ZJTOBGPFNMAZNE-UHFFFAOYSA-N	0	1	206.249	0.217	20	30		BCEDMN
C#CCN1CCC(NC(=O)/C=C\COC)CC1	ZINC000928653118	645852398	/nfs/dbraw/zinc/85/23/98/645852398.db2.gz	ZREFYFUUACALBW-PLNGDYQASA-N	0	1	236.315	0.403	20	30		BCEDMN
C=CCN(CC=C)C[C@@H](O)C1(O)CCOCC1	ZINC000929259882	646042388	/nfs/dbraw/zinc/04/23/88/646042388.db2.gz	QIVHQDOIJUYMFZ-GFCCVEGCSA-N	0	1	241.331	0.563	20	30		BCEDMN
Cn1nccc1[C@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000929292634	646068607	/nfs/dbraw/zinc/06/86/07/646068607.db2.gz	GAWWEWDQKPVZRZ-NWDGAFQWSA-N	0	1	248.330	0.874	20	30		BCEDMN
CN(C[C@H](O)CC#N)C[C@@H]1CCCCO1	ZINC000929329168	646083041	/nfs/dbraw/zinc/08/30/41/646083041.db2.gz	BESZPCGVKRJYLG-MNOVXSKESA-N	0	1	212.293	0.762	20	30		BCEDMN
C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCN2C)C1=O	ZINC000925196921	646206534	/nfs/dbraw/zinc/20/65/34/646206534.db2.gz	POGTZXCXICSAGE-ZJUUUORDSA-N	0	1	237.303	0.577	20	30		BCEDMN
C=CCN1CC(=O)N(C[C@@H]2CCN2C)C1=O	ZINC000925198153	646206545	/nfs/dbraw/zinc/20/65/45/646206545.db2.gz	ZILZHQFSMBQZRB-VIFPVBQESA-N	0	1	223.276	0.141	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CCC(C#N)CC1	ZINC000925407630	646262172	/nfs/dbraw/zinc/26/21/72/646262172.db2.gz	MHOCLWCDPVRTRW-NSHDSACASA-N	0	1	236.319	0.636	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCN1C	ZINC000925403648	646263323	/nfs/dbraw/zinc/26/33/23/646263323.db2.gz	NFJAGSJMTLEJAM-VHSXEESVSA-N	0	1	224.308	0.492	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCN1C	ZINC000925422664	646272565	/nfs/dbraw/zinc/27/25/65/646272565.db2.gz	APLZTVPUSRDSFI-JTQLQIEISA-N	0	1	238.335	0.882	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCN1C	ZINC000925430861	646277729	/nfs/dbraw/zinc/27/77/29/646277729.db2.gz	CCLNBNCBKYXGEK-QWRGUYRKSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)NC[C@@H]1CCN1C	ZINC000925432735	646277759	/nfs/dbraw/zinc/27/77/59/646277759.db2.gz	URPXZAWFQYIVDD-MNOVXSKESA-N	0	1	241.335	0.317	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CCC[C@@H](C#N)C1	ZINC000925432772	646280414	/nfs/dbraw/zinc/28/04/14/646280414.db2.gz	OXJCPUIZKQGOLD-WDEREUQCSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=CC[C@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926151631	646583919	/nfs/dbraw/zinc/58/39/19/646583919.db2.gz	BZILDUULGQHFCE-RKDXNWHRSA-N	0	1	210.281	0.403	20	30		BCEDMN
C=CC[C@@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926151628	646583985	/nfs/dbraw/zinc/58/39/85/646583985.db2.gz	BZILDUULGQHFCE-BDAKNGLRSA-N	0	1	210.281	0.403	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCO1	ZINC001038042120	711578503	/nfs/dbraw/zinc/57/85/03/711578503.db2.gz	VVKVBGFOSSHKKQ-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
CNC(=O)CCN(C)Cc1cncc(C#N)c1	ZINC000721515995	711586205	/nfs/dbraw/zinc/58/62/05/711586205.db2.gz	IUDGESHPSQPBNY-UHFFFAOYSA-N	0	1	232.287	0.521	20	30		BCEDMN
C=C(Br)CNC(=O)c1cnn[nH]1	ZINC000136265284	711694432	/nfs/dbraw/zinc/69/44/32/711694432.db2.gz	JWFWSBQVUFIRGV-UHFFFAOYSA-N	0	1	231.053	0.443	20	30		BCEDMN
C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1	ZINC001076673844	711807993	/nfs/dbraw/zinc/80/79/93/711807993.db2.gz	FEEQGFKOVCEGAD-RKDXNWHRSA-N	0	1	248.273	0.379	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccoc1	ZINC000913515796	711823750	/nfs/dbraw/zinc/82/37/50/711823750.db2.gz	NOUNMILCXRPEAJ-UHFFFAOYSA-N	0	1	206.245	0.574	20	30		BCEDMN
C[C@H]1C[C@H](C(=O)NCC#CCN(C)C)CO1	ZINC000913520910	711823933	/nfs/dbraw/zinc/82/39/33/711823933.db2.gz	DBSSWLPIBHGTBL-QWRGUYRKSA-N	0	1	224.304	0.093	20	30		BCEDMN
C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCOC1	ZINC001038099313	711824920	/nfs/dbraw/zinc/82/49/20/711824920.db2.gz	WNFKTESXFFUCJQ-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1	ZINC001077515916	711846273	/nfs/dbraw/zinc/84/62/73/711846273.db2.gz	USZBXIRQQHOQEF-DDHJBXDOSA-N	0	1	238.331	0.380	20	30		BCEDMN
C#CCNC(=O)CN1CC(C)(C)CC[C@@H]1CO	ZINC000701637705	712025874	/nfs/dbraw/zinc/02/58/74/712025874.db2.gz	QGPLWBJDPHUHDN-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708326198	712187278	/nfs/dbraw/zinc/18/72/78/712187278.db2.gz	ZSBNSTQCXXEFSR-ZETCQYMHSA-N	0	1	207.233	0.267	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000708396215	712192385	/nfs/dbraw/zinc/19/23/85/712192385.db2.gz	QSWNGVYTLCMLNJ-SSDOTTSWSA-N	0	1	222.248	0.500	20	30		BCEDMN
C#CCCS(=O)(=O)NCCN(CC)C1CC1	ZINC000711065095	712278339	/nfs/dbraw/zinc/27/83/39/712278339.db2.gz	LGLOFQZTMVIARE-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
CC#CCN1C[C@@H](C)[C@H](NC(=O)CC)C1	ZINC001079324164	712346147	/nfs/dbraw/zinc/34/61/47/712346147.db2.gz	DUGOEUPVSKLMOC-GHMZBOCLSA-N	0	1	208.305	0.856	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C=C1CCC1	ZINC000379455397	712384793	/nfs/dbraw/zinc/38/47/93/712384793.db2.gz	MYRRXFHHWKZGLR-ZJUUUORDSA-N	0	1	205.261	0.324	20	30		BCEDMN
Cc1cc(C#N)nc(NC[C@@H]2CCN2C)n1	ZINC000712576596	712448087	/nfs/dbraw/zinc/44/80/87/712448087.db2.gz	AJOUVEBJSGHTTF-JTQLQIEISA-N	0	1	217.276	0.773	20	30		BCEDMN
C#CC[C@H](COC)NCc1ccc(CO)o1	ZINC000716929055	712596464	/nfs/dbraw/zinc/59/64/64/712596464.db2.gz	QFAWJECALWBQSI-SNVBAGLBSA-N	0	1	223.272	0.900	20	30		BCEDMN
C#CC[C@H](COC)NCc1cnn(C)c1	ZINC000716928389	712596560	/nfs/dbraw/zinc/59/65/60/712596560.db2.gz	IHDBEPNLVDMJTC-LLVKDONJSA-N	0	1	207.277	0.548	20	30		BCEDMN
C#CC[C@@H](COC)NCc1ccc(CO)o1	ZINC000716929054	712596631	/nfs/dbraw/zinc/59/66/31/712596631.db2.gz	QFAWJECALWBQSI-JTQLQIEISA-N	0	1	223.272	0.900	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(C(N)=O)cs1	ZINC000717698658	712665341	/nfs/dbraw/zinc/66/53/41/712665341.db2.gz	JJHNDJFOKLZLIW-VIFPVBQESA-N	0	1	238.312	0.321	20	30		BCEDMN
C#CCNC(=O)CN1CCC(CSC)CC1	ZINC000719321026	712804076	/nfs/dbraw/zinc/80/40/76/712804076.db2.gz	BZAJYRGCXYATQD-UHFFFAOYSA-N	0	1	240.372	0.811	20	30		BCEDMN
C#C[C@H](NCCCS(C)(=O)=O)[C@@H]1CCCO1	ZINC000381358501	710628580	/nfs/dbraw/zinc/62/85/80/710628580.db2.gz	DYCBMDJROGQFQI-QWRGUYRKSA-N	0	1	245.344	0.192	20	30		BCEDMN
CCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CC1	ZINC000381497443	710646508	/nfs/dbraw/zinc/64/65/08/710646508.db2.gz	BNDHMSROTSRACP-BDAKNGLRSA-N	0	1	207.277	0.404	20	30		BCEDMN
CC(C)(C)CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000393737165	710672384	/nfs/dbraw/zinc/67/23/84/710672384.db2.gz	AMSQXZOXCMQJLM-DTWKUNHWSA-N	0	1	209.293	0.650	20	30		BCEDMN
C#C[C@](C)(CC)NCCS(C)(=O)=O	ZINC000384183046	710808142	/nfs/dbraw/zinc/80/81/42/710808142.db2.gz	QYLJOWPWGKCMBT-SECBINFHSA-N	0	1	203.307	0.423	20	30		BCEDMN
C=CCCN1CC(N(C)C(=O)c2[nH]nnc2C)C1	ZINC001043508104	710809600	/nfs/dbraw/zinc/80/96/00/710809600.db2.gz	ORGVAVAYEUUKCP-UHFFFAOYSA-N	0	1	249.318	0.445	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2ccncc2)C1	ZINC001046103129	710848351	/nfs/dbraw/zinc/84/83/51/710848351.db2.gz	PLVQRKNHGJTTNI-AWEZNQCLSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC2(F)F)C1	ZINC001046299896	710858418	/nfs/dbraw/zinc/85/84/18/710858418.db2.gz	STIKHDYZCUGTBI-GXSJLCMTSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCCN1CC[C@](C)(NC(=O)c2cnco2)C1	ZINC001046519702	710860919	/nfs/dbraw/zinc/86/09/19/710860919.db2.gz	JMNRTEQZQZUQRF-ZDUSSCGKSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1	ZINC001046540900	710861735	/nfs/dbraw/zinc/86/17/35/710861735.db2.gz	IZZBWDOBYVQRAM-NQBHXWOUSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CCN([C@@H]2CCN(C(C)=O)C2)CC1	ZINC001051955709	710960178	/nfs/dbraw/zinc/96/01/78/710960178.db2.gz	FSQVMLFDMKEVNT-CYBMUJFWSA-N	0	1	237.347	0.411	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C)=C(C)C1	ZINC000382492042	710971700	/nfs/dbraw/zinc/97/17/00/710971700.db2.gz	FRAFLSYABDHBKJ-UHFFFAOYSA-N	0	1	206.289	0.778	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCC1	ZINC000390755250	711132701	/nfs/dbraw/zinc/13/27/01/711132701.db2.gz	GXABJARWQQMHSB-BDAKNGLRSA-N	0	1	207.277	0.404	20	30		BCEDMN
C=CCOCCOC(=O)c1cnc(NC)s1	ZINC000393208889	711155074	/nfs/dbraw/zinc/15/50/74/711155074.db2.gz	HFMAREPEYVUQTA-UHFFFAOYSA-N	0	1	242.300	0.966	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@@H]1COC	ZINC000396058108	711219604	/nfs/dbraw/zinc/21/96/04/711219604.db2.gz	JAPSBPXHZLSSML-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=CCOCCN1CCC2(C1)OCCO2	ZINC000396618451	711361771	/nfs/dbraw/zinc/36/17/71/711361771.db2.gz	CPXLNOPHXZTRME-UHFFFAOYSA-N	0	1	213.277	0.638	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001014832816	710612207	/nfs/dbraw/zinc/61/22/07/710612207.db2.gz	QCEXHOJTBIXGPZ-JTQLQIEISA-N	0	1	248.286	0.172	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046162502	710851607	/nfs/dbraw/zinc/85/16/07/710851607.db2.gz	JVEPBNKRCQWIIS-GFCCVEGCSA-N	0	1	232.287	0.237	20	30		BCEDMN
CN(C)c1ncc(C=[NH+]NCC(=O)[O-])s1	ZINC000382344113	711484894	/nfs/dbraw/zinc/48/48/94/711484894.db2.gz	DDQINHUDHXMJAJ-UHFFFAOYSA-N	0	1	228.277	0.217	20	30		BCEDMN
N#CC1(C(=O)NC23CCN(CC2)C3)CCC1	ZINC000715508414	711549873	/nfs/dbraw/zinc/54/98/73/711549873.db2.gz	NSFYVLDQTGNJQI-UHFFFAOYSA-N	0	1	219.288	0.645	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCO1	ZINC001038041391	711565843	/nfs/dbraw/zinc/56/58/43/711565843.db2.gz	RZLFHFUPAYFZOW-RYUDHWBXSA-N	0	1	238.331	0.932	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H]1C[C@@H]2COC[C@H]2O1	ZINC000724622624	711600505	/nfs/dbraw/zinc/60/05/05/711600505.db2.gz	JFCXJRISDCJCKH-CHWFTXMASA-N	0	1	210.277	0.682	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cc(C=O)n(C)c2)=NO1	ZINC000935135654	711631011	/nfs/dbraw/zinc/63/10/11/711631011.db2.gz	IFPPZOWJRRBPHC-SSDOTTSWSA-N	0	1	235.243	0.690	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cn(C)cn1	ZINC001027824500	711736469	/nfs/dbraw/zinc/73/64/69/711736469.db2.gz	JGCPGUWZLNMBLE-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
CN(C)C1(C(=O)N2CCC[C@@H](C#N)C2)CC1	ZINC000928216678	711767964	/nfs/dbraw/zinc/76/79/64/711767964.db2.gz	JODJFEYFCLSOFD-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
C=C(C)CN(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897330661	711786239	/nfs/dbraw/zinc/78/62/39/711786239.db2.gz	BGNUSEMELVFXPB-LBPRGKRZSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000862578911	711791306	/nfs/dbraw/zinc/79/13/06/711791306.db2.gz	LROZAROOUGXOIW-OPRDCNLKSA-N	0	1	222.244	0.523	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ccc[nH]1	ZINC001038059404	711794958	/nfs/dbraw/zinc/79/49/58/711794958.db2.gz	ZXLRYCRAFYOYHK-LLVKDONJSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)C1=COCCC1	ZINC001038116921	711800681	/nfs/dbraw/zinc/80/06/81/711800681.db2.gz	SQKLEOCCPBJZMM-CYBMUJFWSA-N	0	1	248.326	0.895	20	30		BCEDMN
CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C	ZINC001038119350	711801478	/nfs/dbraw/zinc/80/14/78/711801478.db2.gz	VVDGMGNQHBTILJ-OLZOCXBDSA-N	0	1	249.358	0.294	20	30		BCEDMN
C[C@@H](C(=O)NCC#CCN(C)C)[C@H]1CCCO1	ZINC000913524423	711823346	/nfs/dbraw/zinc/82/33/46/711823346.db2.gz	MHVFSAWTWTZDIO-VXGBXAGGSA-N	0	1	238.331	0.483	20	30		BCEDMN
C[C@H](C(=O)NCC#CCN(C)C)c1cnccn1	ZINC000913524626	711823404	/nfs/dbraw/zinc/82/34/04/711823404.db2.gz	VUFSAXQZHUIXCB-NSHDSACASA-N	0	1	246.314	0.261	20	30		BCEDMN
C[C@H](C(=O)NCC#CCN(C)C)[C@@H]1CCCO1	ZINC000913524422	711823588	/nfs/dbraw/zinc/82/35/88/711823588.db2.gz	MHVFSAWTWTZDIO-RYUDHWBXSA-N	0	1	238.331	0.483	20	30		BCEDMN
CCn1nc(C)cc1C(=O)NCC#CCN(C)C	ZINC000913518651	711823839	/nfs/dbraw/zinc/82/38/39/711823839.db2.gz	WJEJKXVZZLMOJA-UHFFFAOYSA-N	0	1	248.330	0.506	20	30		BCEDMN
C[C@@H]1C[C@@H](C(=O)NCC#CCN(C)C)CO1	ZINC000913520908	711823966	/nfs/dbraw/zinc/82/39/66/711823966.db2.gz	DBSSWLPIBHGTBL-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
Cc1ccn(C)c1C(=O)NCC#CCN(C)C	ZINC000913521004	711824047	/nfs/dbraw/zinc/82/40/47/711824047.db2.gz	HVWYTYKBFSQLLL-UHFFFAOYSA-N	0	1	233.315	0.628	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cccn1C	ZINC001038056864	711824781	/nfs/dbraw/zinc/82/47/81/711824781.db2.gz	DIXKNBIQFLDMEN-LBPRGKRZSA-N	0	1	245.326	0.853	20	30		BCEDMN
C=CCCN1CC(NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001030210043	711828096	/nfs/dbraw/zinc/82/80/96/711828096.db2.gz	BILILVYFQXQNAH-UHFFFAOYSA-N	0	1	248.330	0.637	20	30		BCEDMN
C=CCCN1CC(NC(=O)c2ncccc2[O-])C1	ZINC001030241827	711829405	/nfs/dbraw/zinc/82/94/05/711829405.db2.gz	NTZVPIQDPAWOQL-UHFFFAOYSA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CCC[NH+]1CC(NC(=O)c2ncccc2[O-])C1	ZINC001030241827	711829406	/nfs/dbraw/zinc/82/94/06/711829406.db2.gz	NTZVPIQDPAWOQL-UHFFFAOYSA-N	0	1	247.298	0.777	20	30		BCEDMN
C=C(C)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001030292849	711830410	/nfs/dbraw/zinc/83/04/10/711830410.db2.gz	YVZXGELAXCBVIG-NXEZZACHSA-N	0	1	239.275	0.028	20	30		BCEDMN
N#Cc1ccnc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c1	ZINC000597708758	711834815	/nfs/dbraw/zinc/83/48/15/711834815.db2.gz	QVLDFVVJSDGABB-NSHDSACASA-N	0	1	242.282	0.483	20	30		BCEDMN
C#CCCCCNC(=O)NC[C@H]1CCN1C	ZINC000921441847	711882783	/nfs/dbraw/zinc/88/27/83/711882783.db2.gz	XXOPABHCZYVFAJ-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
C#CCCCCNC(=O)NC[C@@H]1CCN1C	ZINC000921441848	711882884	/nfs/dbraw/zinc/88/28/84/711882884.db2.gz	XXOPABHCZYVFAJ-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1C	ZINC001032570206	711926155	/nfs/dbraw/zinc/92/61/55/711926155.db2.gz	PUKWTECOQWEUEC-CYDGBPFRSA-N	0	1	232.327	0.951	20	30		BCEDMN
Cc1cc(C(=O)N(C)[C@H]2CCN(CC#N)C2)n[nH]1	ZINC001032937571	711969234	/nfs/dbraw/zinc/96/92/34/711969234.db2.gz	WLJHICZUKWPPPE-JTQLQIEISA-N	0	1	247.302	0.388	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)Cc2cnoc2)C1	ZINC001033355710	711987389	/nfs/dbraw/zinc/98/73/89/711987389.db2.gz	DZVBZQCNGMTSQS-LBPRGKRZSA-N	0	1	249.314	0.936	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1	ZINC001033504355	711996199	/nfs/dbraw/zinc/99/61/99/711996199.db2.gz	GTIXVSFHFSQVEZ-SNVBAGLBSA-N	0	1	249.318	0.147	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cccnn2)C1	ZINC001033526330	712000131	/nfs/dbraw/zinc/00/01/31/712000131.db2.gz	LACBBRUFACADKS-LLVKDONJSA-N	0	1	246.314	0.809	20	30		BCEDMN
C#CC1CCN(C(=O)c2cnc[nH]2)CC1	ZINC000700608495	712000975	/nfs/dbraw/zinc/00/09/75/712000975.db2.gz	JDVNIGTWXVEVET-UHFFFAOYSA-N	0	1	203.245	0.895	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000702295165	712043446	/nfs/dbraw/zinc/04/34/46/712043446.db2.gz	GEVFPVBDBWQILT-WDEREUQCSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)C1CC1)CC2	ZINC001035630123	712138530	/nfs/dbraw/zinc/13/85/30/712138530.db2.gz	KSCRKSHVSCLZDR-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2CCc3[nH]cnc3C2)=NO1	ZINC000504725085	712166423	/nfs/dbraw/zinc/16/64/23/712166423.db2.gz	GFZDSRIKFPLSQJ-SFYZADRCSA-N	0	1	248.286	0.753	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)C1=NC(=O)N(C)C1	ZINC000708334947	712188238	/nfs/dbraw/zinc/18/82/38/712188238.db2.gz	RTWKRWIBBPHBKP-QMMMGPOBSA-N	0	1	239.275	0.183	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395043	712192401	/nfs/dbraw/zinc/19/24/01/712192401.db2.gz	XDVPKUXBIZJDFT-LURJTMIESA-N	0	1	208.221	0.158	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@H](CC#N)C2)=NC1=O	ZINC000708405330	712192776	/nfs/dbraw/zinc/19/27/76/712192776.db2.gz	IWYNUVFMCNRWOU-SECBINFHSA-N	0	1	248.286	0.892	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)[C@@H]1CCCN(C)C1	ZINC000711064527	712277962	/nfs/dbraw/zinc/27/79/62/712277962.db2.gz	BEDSYKXRGMSKHZ-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001079446760	712349169	/nfs/dbraw/zinc/34/91/69/712349169.db2.gz	OYRZGQJXYGLKCU-MWLCHTKSSA-N	0	1	234.303	0.646	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1	ZINC001079565956	712350265	/nfs/dbraw/zinc/35/02/65/712350265.db2.gz	BCKHOICUFLUMJV-DGCLKSJQSA-N	0	1	245.326	0.708	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1	ZINC001080614628	712354338	/nfs/dbraw/zinc/35/43/38/712354338.db2.gz	ZCGNTOCRHCENNO-MWLCHTKSSA-N	0	1	249.318	0.051	20	30		BCEDMN
C#CCNC(=O)CN1CCS[C@H](C)CC1	ZINC000379448395	712384884	/nfs/dbraw/zinc/38/48/84/712384884.db2.gz	ZLKCIRKKSGLTPC-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
Cc1nc(C#N)cc(NC[C@@H]2CCN2C)n1	ZINC000712579255	712432721	/nfs/dbraw/zinc/43/27/21/712432721.db2.gz	DDPKGRKILDHRNX-JTQLQIEISA-N	0	1	217.276	0.773	20	30		BCEDMN
C#CC1(F)CN(C(=O)CN2CCC(C)CC2)C1	ZINC000881941342	712634910	/nfs/dbraw/zinc/63/49/10/712634910.db2.gz	ANRMLQFOCHRYCT-UHFFFAOYSA-N	0	1	238.306	0.902	20	30		BCEDMN
C#CC1(F)CN(C(=O)CCc2cnc[nH]2)C1	ZINC000881941110	712635082	/nfs/dbraw/zinc/63/50/82/712635082.db2.gz	YBMCKJDIKNEGPV-UHFFFAOYSA-N	0	1	221.235	0.526	20	30		BCEDMN
C#CCN1CCC[C@H](Nc2cc(=O)n(C)cn2)C1	ZINC000884611647	712648103	/nfs/dbraw/zinc/64/81/03/712648103.db2.gz	QQRDADASUYVLDN-NSHDSACASA-N	0	1	246.314	0.290	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1ccc(F)c(F)c1	ZINC000717436964	712658034	/nfs/dbraw/zinc/65/80/34/712658034.db2.gz	BOWNHIFAKNAXAV-GFCCVEGCSA-N	0	1	241.237	0.584	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1ccc(F)cc1	ZINC000717530702	712660530	/nfs/dbraw/zinc/66/05/30/712660530.db2.gz	ASQWWKSOGOXELM-GFCCVEGCSA-N	0	1	223.247	0.444	20	30		BCEDMN
C#CC[C@H](CO)Nc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000717734291	712667998	/nfs/dbraw/zinc/66/79/98/712667998.db2.gz	YGAHPNLCBDQARG-SECBINFHSA-N	0	1	234.255	0.884	20	30		BCEDMN
C#CC[C@H](CO)NCc1cccc(OC)n1	ZINC000717813689	712680563	/nfs/dbraw/zinc/68/05/63/712680563.db2.gz	MSGBPVBYOOGKCZ-LLVKDONJSA-N	0	1	220.272	0.564	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccnn1CCC	ZINC000717813437	712680844	/nfs/dbraw/zinc/68/08/44/712680844.db2.gz	JHPWAMCRPYQJAX-NSHDSACASA-N	0	1	221.304	0.767	20	30		BCEDMN
Cc1nc(CN2CCC[C@H](C#N)C2)n[nH]1	ZINC000932153968	712715339	/nfs/dbraw/zinc/71/53/39/712715339.db2.gz	CQIJCRRGHDFNRJ-SECBINFHSA-N	0	1	205.265	0.849	20	30		BCEDMN
C#C[C@H](CO)Nc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000718197268	712753144	/nfs/dbraw/zinc/75/31/44/712753144.db2.gz	DSPKAKPVGXMBEA-MRVPVSSYSA-N	0	1	220.228	0.494	20	30		BCEDMN
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)o2)CCN1C	ZINC000719365286	712805866	/nfs/dbraw/zinc/80/58/66/712805866.db2.gz	YQFYNXNWGXPCKQ-SCZZXKLOSA-N	0	1	233.271	0.974	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21	ZINC000153164482	719367415	/nfs/dbraw/zinc/36/74/15/719367415.db2.gz	XFLAXDHCXIBSJS-NWDGAFQWSA-N	0	1	244.298	0.472	20	30		BCEDMN
C#CCN(CC#C)CCCN1CCOCC1	ZINC000174523229	192025609	/nfs/dbraw/zinc/02/56/09/192025609.db2.gz	AHZDKIOAWHWFBA-UHFFFAOYSA-N	0	1	220.316	0.277	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)NCC1(C#N)CC1	ZINC000602148284	349453509	/nfs/dbraw/zinc/45/35/09/349453509.db2.gz	JAQCDICFZIULFL-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C[N@H+]1CC[C@@H]2CCN(c3cc(C#N)ncn3)[C@H]2C1	ZINC000572352033	398143721	/nfs/dbraw/zinc/14/37/21/398143721.db2.gz	PCUWJLSGTOHNBK-PWSUYJOCSA-N	0	1	243.314	0.879	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)[C@@H](C)OC)nn1	ZINC000424290912	398180648	/nfs/dbraw/zinc/18/06/48/398180648.db2.gz	CMWFRHRZFAYXHE-NXEZZACHSA-N	0	1	224.308	0.977	20	30		BCEDMN
CC#CCN[C@@]1(CC(=O)OC)CCOC1	ZINC000308967448	136217268	/nfs/dbraw/zinc/21/72/68/136217268.db2.gz	WTEVVHRCGLIJFO-LLVKDONJSA-N	0	1	211.261	0.322	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NCCN1CCCC1=O	ZINC000309492951	136218538	/nfs/dbraw/zinc/21/85/38/136218538.db2.gz	JHCOUXMMAPBWDO-GHMZBOCLSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#Cc1ccc(CN(CCO)C2CC2)nc1	ZINC000521337615	259305792	/nfs/dbraw/zinc/30/57/92/259305792.db2.gz	BUJZIDCXVNVCTK-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCOCC	ZINC000093313863	398242961	/nfs/dbraw/zinc/24/29/61/398242961.db2.gz	SGXGYHOXBFSOJO-JTQLQIEISA-N	0	1	212.293	0.093	20	30		BCEDMN
C[C@H]1CN(C(=O)Cc2ccc(C#N)nc2)CCN1	ZINC000602432991	349537089	/nfs/dbraw/zinc/53/70/89/349537089.db2.gz	JFFNTDFAWOLHLP-JTQLQIEISA-N	0	1	244.298	0.316	20	30		BCEDMN
C[C@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CNCCO1	ZINC000602514085	349587111	/nfs/dbraw/zinc/58/71/11/349587111.db2.gz	HIRJCVDYTVQFRY-HOSYDEDBSA-N	0	1	237.303	0.173	20	30		BCEDMN
C=CCOCCN1CCO[C@@](C)(COC)C1	ZINC000626177644	346838351	/nfs/dbraw/zinc/83/83/51/346838351.db2.gz	SBAKJIVTDJQCHZ-GFCCVEGCSA-N	0	1	229.320	0.926	20	30		BCEDMN
N#C[C@@H]1CCC[C@H](NCc2cn[nH]n2)C1	ZINC000600177029	342696437	/nfs/dbraw/zinc/69/64/37/342696437.db2.gz	LSZYVNGHKUPCLK-BDAKNGLRSA-N	0	1	205.265	0.977	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000583331816	342735211	/nfs/dbraw/zinc/73/52/11/342735211.db2.gz	OUTZKZDZMGGNBT-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCCN1CCC(O)CC1	ZINC000321170828	342751557	/nfs/dbraw/zinc/75/15/57/342751557.db2.gz	JDLBYCBEQJPRJI-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
COC[C@@](C)(O)CNCc1nc(C#N)cs1	ZINC000309671167	342780073	/nfs/dbraw/zinc/78/00/73/342780073.db2.gz	WARBTJSONGAWNK-JTQLQIEISA-N	0	1	241.316	0.502	20	30		BCEDMN
CN1CCN(c2ccc(C#N)c(N)n2)CC1	ZINC000581835235	342811609	/nfs/dbraw/zinc/81/16/09/342811609.db2.gz	QYFUOHHOPLROOR-UHFFFAOYSA-N	0	1	217.276	0.287	20	30		BCEDMN
CC[C@@H](CC#N)N[C@@H]1CCCNC(=O)C1	ZINC000602610216	349633367	/nfs/dbraw/zinc/63/33/67/349633367.db2.gz	GUMXQSLNGRRVQN-VHSXEESVSA-N	0	1	209.293	0.937	20	30		BCEDMN
CC[C@H](CC#N)N[C@@H]1CCCNC(=O)C1	ZINC000602610214	349633973	/nfs/dbraw/zinc/63/39/73/349633973.db2.gz	GUMXQSLNGRRVQN-NXEZZACHSA-N	0	1	209.293	0.937	20	30		BCEDMN
C[C@H]1CN(c2ccnc(C#N)c2)CCN1CCO	ZINC000343047688	342908909	/nfs/dbraw/zinc/90/89/09/342908909.db2.gz	NZJDNPBGAAUYCV-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
COCC1(O)CN(C[C@@H](C)CCC#N)C1	ZINC000602689185	349679289	/nfs/dbraw/zinc/67/92/89/349679289.db2.gz	SWHAQESOOLGLMK-JTQLQIEISA-N	0	1	212.293	0.619	20	30		BCEDMN
Cc1cccc(OC[C@@H](O)CNCC#CCO)c1	ZINC000580311222	346890774	/nfs/dbraw/zinc/89/07/74/346890774.db2.gz	BOBSFLQGUIVXMB-ZDUSSCGKSA-N	0	1	249.310	0.320	20	30		BCEDMN
Cc1cccc(OC[C@H](O)CNCC#CCO)c1	ZINC000580311221	346891082	/nfs/dbraw/zinc/89/10/82/346891082.db2.gz	BOBSFLQGUIVXMB-CYBMUJFWSA-N	0	1	249.310	0.320	20	30		BCEDMN
C=C(C)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC	ZINC000351761972	136252197	/nfs/dbraw/zinc/25/21/97/136252197.db2.gz	PFBRIAPQJOETCC-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
C[C@H](O)C1(NCc2cccc(C#N)n2)CC1	ZINC000602718916	349687590	/nfs/dbraw/zinc/68/75/90/349687590.db2.gz	SZMYBCIVWCDTBO-VIFPVBQESA-N	0	1	217.272	0.956	20	30		BCEDMN
N#CC[C@@]1(O)CCN(Cc2ccc(=O)[nH]c2)C1	ZINC000602695077	349691378	/nfs/dbraw/zinc/69/13/78/349691378.db2.gz	CPSNRDSZVZNHLI-GFCCVEGCSA-N	0	1	233.271	0.638	20	30		BCEDMN
C[C@H](CCC#N)N(C)[C@H]1CCN(C)C1=O	ZINC000518193170	259338740	/nfs/dbraw/zinc/33/87/40/259338740.db2.gz	VXLBZTMKDUJGPX-ZJUUUORDSA-N	0	1	209.293	0.841	20	30		BCEDMN
CN(CC1(CC#N)CC1)C(C)(C)C(N)=O	ZINC000602830323	349766242	/nfs/dbraw/zinc/76/62/42/349766242.db2.gz	CQHDYOLRIMKWAR-UHFFFAOYSA-N	0	1	209.293	0.876	20	30		BCEDMN
O=C(COCCc1c[nH]nn1)NC1CC1	ZINC000329741818	136262587	/nfs/dbraw/zinc/26/25/87/136262587.db2.gz	WCYLGRKKTXRSAD-UHFFFAOYSA-N	0	1	210.237	0.483	20	30		BCEDMN
CCOCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602852230	349786342	/nfs/dbraw/zinc/78/63/42/349786342.db2.gz	ABYCXBQGMKDHHA-TXEJJXNPSA-N	0	1	225.336	0.941	20	30		BCEDMN
CCOCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602852229	349786664	/nfs/dbraw/zinc/78/66/64/349786664.db2.gz	ABYCXBQGMKDHHA-RYUDHWBXSA-N	0	1	225.336	0.941	20	30		BCEDMN
C#CCN(C(=O)NCc1n[nH]c(CC)n1)C1CC1	ZINC000297463830	343069989	/nfs/dbraw/zinc/06/99/89/343069989.db2.gz	KXWNXUJUNBMBQO-UHFFFAOYSA-N	0	1	247.302	0.674	20	30		BCEDMN
COC(=O)C1(NC(=O)C(C)C#N)CCCC1	ZINC000357832480	136266778	/nfs/dbraw/zinc/26/67/78/136266778.db2.gz	QBZLVODTJNTLTM-QMMMGPOBSA-N	0	1	224.260	0.748	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)n1cc([C@H](C)NC)nn1	ZINC000640883317	362069189	/nfs/dbraw/zinc/06/91/89/362069189.db2.gz	FXXAIJILYKEGSY-DTWKUNHWSA-N	0	1	237.307	0.422	20	30		BCEDMN
C#CCN(CC)C(=O)CSc1nnc(C)[nH]1	ZINC000266829205	187234532	/nfs/dbraw/zinc/23/45/32/187234532.db2.gz	JUANHLGETYBYTB-UHFFFAOYSA-N	0	1	238.316	0.687	20	30		BCEDMN
C#CCN(CC)C(=O)CSc1nc(C)n[nH]1	ZINC000266829205	187234534	/nfs/dbraw/zinc/23/45/34/187234534.db2.gz	JUANHLGETYBYTB-UHFFFAOYSA-N	0	1	238.316	0.687	20	30		BCEDMN
CC/C=C\CCn1c(=O)[nH]cc(C#N)c1=O	ZINC000572601332	323035554	/nfs/dbraw/zinc/03/55/54/323035554.db2.gz	GEOJQYTUVDJGNK-ARJAWSKDSA-N	0	1	219.244	0.765	20	30		BCEDMN
CC[C@H](CC#N)N[C@H](C)CN1CCOCC1	ZINC000049504635	343111264	/nfs/dbraw/zinc/11/12/64/343111264.db2.gz	AHCKYCJUFMBKKA-VXGBXAGGSA-N	0	1	225.336	0.989	20	30		BCEDMN
C[C@H](CC#N)N(C)CCCC(=O)NC(N)=O	ZINC000177368233	346927362	/nfs/dbraw/zinc/92/73/62/346927362.db2.gz	BGKGBSKEPCIBER-MRVPVSSYSA-N	0	1	226.280	0.195	20	30		BCEDMN
C=CCCCCn1cc([C@H](N)CO)nn1	ZINC000640938439	362082139	/nfs/dbraw/zinc/08/21/39/362082139.db2.gz	ANSCLKQAQSBABX-SECBINFHSA-N	0	1	210.281	0.627	20	30		BCEDMN
C#CCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000377328311	136269741	/nfs/dbraw/zinc/26/97/41/136269741.db2.gz	ATUMZEXERZWFGE-QMMMGPOBSA-N	0	1	218.260	0.199	20	30		BCEDMN
CCOCC[C@@H](O)CN[C@H](C)CC#N	ZINC000602868420	349799075	/nfs/dbraw/zinc/79/90/75/349799075.db2.gz	BGZKADFQWPEOPS-NXEZZACHSA-N	0	1	200.282	0.666	20	30		BCEDMN
C=C(C)CCN1CCC[C@@H](O)[C@H]1C(=O)OC	ZINC000275679318	187237713	/nfs/dbraw/zinc/23/77/13/187237713.db2.gz	ZSLJWEHLJTVNNC-MNOVXSKESA-N	0	1	227.304	0.951	20	30		BCEDMN
Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)CC#N	ZINC000602868886	349800145	/nfs/dbraw/zinc/80/01/45/349800145.db2.gz	DVDSUUGJDQBDSA-MRVPVSSYSA-N	0	1	237.263	0.992	20	30		BCEDMN
Cc1nc([C@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000343340650	343239796	/nfs/dbraw/zinc/23/97/96/343239796.db2.gz	HKUVLFZZTSLWCJ-LURJTMIESA-N	0	1	244.258	0.804	20	30		BCEDMN
COC(=O)[C@@]1(NC(=O)C(C)C#N)CCSC1	ZINC000340405714	136289252	/nfs/dbraw/zinc/28/92/52/136289252.db2.gz	KZUQNMYKIROONO-OIBJUYFYSA-N	0	1	242.300	0.311	20	30		BCEDMN
Cc1cn[nH]c1CN1CCN(CC#N)CC1	ZINC000284330188	136287338	/nfs/dbraw/zinc/28/73/38/136287338.db2.gz	XAKPQCVUURNPJS-UHFFFAOYSA-N	0	1	219.292	0.359	20	30		BCEDMN
C=C(Cl)CN(C)CC(=O)N1CCNCC1	ZINC000038031402	187254731	/nfs/dbraw/zinc/25/47/31/187254731.db2.gz	XMPBBTIFCRQPAD-UHFFFAOYSA-N	0	1	231.727	0.103	20	30		BCEDMN
CO[C@H]1C[C@H](CO)N(Cc2cc(C#N)n(C)c2)C1	ZINC000344151436	343363660	/nfs/dbraw/zinc/36/36/60/343363660.db2.gz	VETIUVUFFIQIBJ-OLZOCXBDSA-N	0	1	249.314	0.478	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2ncoc2C)n1	ZINC000329089756	136352482	/nfs/dbraw/zinc/35/24/82/136352482.db2.gz	IPJTUELSJPFXSL-UHFFFAOYSA-N	0	1	235.247	0.957	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCO1	ZINC000102770392	136331883	/nfs/dbraw/zinc/33/18/83/136331883.db2.gz	IPZUHIGDBBJZOP-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCO1	ZINC000102770390	136332078	/nfs/dbraw/zinc/33/20/78/136332078.db2.gz	IPZUHIGDBBJZOP-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
COCCN1CC[C@@H](NC(=O)C2(C)COC2)C1	ZINC000329312094	136364862	/nfs/dbraw/zinc/36/48/62/136364862.db2.gz	CVMZZMBXDDMRBL-SNVBAGLBSA-N	0	1	242.319	0.700	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCc2c1cnn2C	ZINC000289976047	136375526	/nfs/dbraw/zinc/37/55/26/136375526.db2.gz	XQSHSEJSPZUHJR-MWLCHTKSSA-N	0	1	221.304	0.934	20	30		BCEDMN
CNC(=O)CCNCc1ccc(C#N)cc1F	ZINC000044994686	343520570	/nfs/dbraw/zinc/52/05/70/343520570.db2.gz	SHBHLEYYNKFZDB-UHFFFAOYSA-N	0	1	235.262	0.923	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2cccnc2)CC1	ZINC000040221765	187263419	/nfs/dbraw/zinc/26/34/19/187263419.db2.gz	GDQDYZDOVLLKMK-UHFFFAOYSA-N	0	1	244.298	0.799	20	30		BCEDMN
CCCN1CCN(c2cc(C#N)ncn2)CC1	ZINC000379755685	343617010	/nfs/dbraw/zinc/61/70/10/343617010.db2.gz	VAGSHYOIIUYPFO-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
CO[C@H]1C[N@@H+](CC2(C#N)CC2)[C@](C)(CO)C1	ZINC000602964239	349827081	/nfs/dbraw/zinc/82/70/81/349827081.db2.gz	NQUOHTPDPJBAKG-MNOVXSKESA-N	0	1	224.304	0.762	20	30		BCEDMN
CO[C@H]1CN(CC2(C#N)CC2)[C@](C)(CO)C1	ZINC000602964239	349827083	/nfs/dbraw/zinc/82/70/83/349827083.db2.gz	NQUOHTPDPJBAKG-MNOVXSKESA-N	0	1	224.304	0.762	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)CCCOC	ZINC000127274721	343721828	/nfs/dbraw/zinc/72/18/28/343721828.db2.gz	YNOUCBMQLQYBJQ-UHFFFAOYSA-N	0	1	241.335	0.717	20	30		BCEDMN
C[C@H]1C[C@H](O)CN1Cc1ccc(C#N)cn1	ZINC000576644392	343755462	/nfs/dbraw/zinc/75/54/62/343755462.db2.gz	DJQBWDOSRCUCII-CABZTGNLSA-N	0	1	217.272	0.908	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc(CNC2CC2)nn1	ZINC000603234548	349892646	/nfs/dbraw/zinc/89/26/46/349892646.db2.gz	MCPJLWLXCYUJJL-SNVBAGLBSA-N	0	1	236.275	0.430	20	30		BCEDMN
C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C#N)n(C)c1	ZINC000334745770	343904905	/nfs/dbraw/zinc/90/49/05/343904905.db2.gz	ADVSXVVYVVYKFO-JOYOIKCWSA-N	0	1	219.288	0.852	20	30		BCEDMN
CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000334808660	343908685	/nfs/dbraw/zinc/90/86/85/343908685.db2.gz	RZXHMMSXZGNDJC-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000334808634	343908967	/nfs/dbraw/zinc/90/89/67/343908967.db2.gz	RUHKYMSJRNXUTC-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
CN(CCOCCO)Cc1ccnc(C#N)c1	ZINC000306059847	343969806	/nfs/dbraw/zinc/96/98/06/343969806.db2.gz	WOYNHQKPLSDUIQ-UHFFFAOYSA-N	0	1	235.287	0.394	20	30		BCEDMN
C#CCSCCNC(=O)CN(C)C	ZINC000156116877	166201442	/nfs/dbraw/zinc/20/14/42/166201442.db2.gz	QVVYFCUIRAISOU-UHFFFAOYSA-N	0	1	200.307	0.031	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc([C@H](C)NC)nn1	ZINC000603238387	349903834	/nfs/dbraw/zinc/90/38/34/349903834.db2.gz	WROUXNYKVVEPAU-CBAPKCEASA-N	0	1	224.264	0.459	20	30		BCEDMN
CN(CC(=O)NCCCC#N)C1CCC1	ZINC000600819496	344379268	/nfs/dbraw/zinc/37/92/68/344379268.db2.gz	WKMNAKLDQQQPNI-UHFFFAOYSA-N	0	1	209.293	0.891	20	30		BCEDMN
N#Cc1cnccc1NCCc1nc[nH]n1	ZINC000381630521	344528521	/nfs/dbraw/zinc/52/85/21/344528521.db2.gz	PNKJXFDKNADRKL-UHFFFAOYSA-N	0	1	214.232	0.148	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000577498588	344533830	/nfs/dbraw/zinc/53/38/30/344533830.db2.gz	AACOHRLOPAUBGB-NXEZZACHSA-N	0	1	213.277	0.863	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)C(C)C	ZINC000044822652	344549819	/nfs/dbraw/zinc/54/98/19/344549819.db2.gz	ZVEVEKHNEVNZGA-JGVFFNPUSA-N	0	1	212.249	0.460	20	30		BCEDMN
CCNC(=O)CCN(CC)C[C@@H](C)C#N	ZINC000049572978	344653872	/nfs/dbraw/zinc/65/38/72/344653872.db2.gz	PXHMXSWIFLLMID-JTQLQIEISA-N	0	1	211.309	0.994	20	30		BCEDMN
C[C@H](CC#N)N[C@H](C)CN1CCOCC1	ZINC000049504876	344642652	/nfs/dbraw/zinc/64/26/52/344642652.db2.gz	PPRPDWQYZSTKNI-GHMZBOCLSA-N	0	1	211.309	0.599	20	30		BCEDMN
CCCCCN(CCO)CC(=O)NCC#N	ZINC000112411731	344643981	/nfs/dbraw/zinc/64/39/81/344643981.db2.gz	MDTTYIRJGIDKAZ-UHFFFAOYSA-N	0	1	227.308	0.111	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1CN1CCOC[C@H]1C#N	ZINC000260246269	344751380	/nfs/dbraw/zinc/75/13/80/344751380.db2.gz	WYYNSIHLHOPWGJ-GHMZBOCLSA-N	0	1	209.293	0.305	20	30		BCEDMN
COc1cc(C#N)ccc1NS(C)(=O)=O	ZINC000135531674	344742029	/nfs/dbraw/zinc/74/20/29/344742029.db2.gz	XQQDAEAJTHZKLN-UHFFFAOYSA-N	0	1	226.257	0.938	20	30		BCEDMN
C[C@@H](O)CCN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000075779437	344791992	/nfs/dbraw/zinc/79/19/92/344791992.db2.gz	KZGPQWZOYGWPQF-MNOVXSKESA-N	0	1	241.335	0.450	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)N1CCc2[nH]nnc2C1	ZINC000353484749	344982000	/nfs/dbraw/zinc/98/20/00/344982000.db2.gz	XNKQMNZIPIFGGP-LLVKDONJSA-N	0	1	233.275	0.629	20	30		BCEDMN
C=CCOCCCC(=O)N1CCNC[C@@H]1C	ZINC000125423844	345078263	/nfs/dbraw/zinc/07/82/63/345078263.db2.gz	SSKZWZPSPVDRMV-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)CN1CC[C@@H](S(=O)(=O)NC)C1	ZINC000155890238	345112713	/nfs/dbraw/zinc/11/27/13/345112713.db2.gz	YMWLXDLKTMCIHZ-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
CC[C@H]1CN(C(=O)CC#N)CCN1C[C@H](C)O	ZINC000408320232	345145671	/nfs/dbraw/zinc/14/56/71/345145671.db2.gz	NTXDAHZJCRESPL-QWRGUYRKSA-N	0	1	239.319	0.204	20	30		BCEDMN
N#CCC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000408322893	345155446	/nfs/dbraw/zinc/15/54/46/345155446.db2.gz	WKRSZCRWIVIKSX-QMMMGPOBSA-N	0	1	204.233	0.817	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)Cn1ccnc1CN	ZINC000600965997	345251042	/nfs/dbraw/zinc/25/10/42/345251042.db2.gz	DMJUQSMHKGZLPL-LBPRGKRZSA-N	0	1	249.318	0.396	20	30		BCEDMN
CNC(=O)[C@H]1CCC[C@@H]1NCC1(C#N)CC1	ZINC000381335729	345380154	/nfs/dbraw/zinc/38/01/54/345380154.db2.gz	VPTSXJQUDWZCFA-UWVGGRQHSA-N	0	1	221.304	0.794	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H](CO)C(C)(C)C	ZINC000134388951	345411685	/nfs/dbraw/zinc/41/16/85/345411685.db2.gz	JXHOGTMCTNKEFG-JTQLQIEISA-N	0	1	228.336	0.627	20	30		BCEDMN
C[C@@H](O)CN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000159391843	345422799	/nfs/dbraw/zinc/42/27/99/345422799.db2.gz	PIOPTFFZRZSARU-ZJUUUORDSA-N	0	1	227.308	0.060	20	30		BCEDMN
C=CC[NH+]1CCC(NC(=O)[C@@H](C)N(C)C)CC1	ZINC000635531628	345465962	/nfs/dbraw/zinc/46/59/62/345465962.db2.gz	UZTQDHKNJFRRHR-LLVKDONJSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(C2CCC2)CC1	ZINC000378693775	345474756	/nfs/dbraw/zinc/47/47/56/345474756.db2.gz	BSPWBCVDYMAQKN-LBPRGKRZSA-N	0	1	238.331	0.884	20	30		BCEDMN
CSCCC(=O)NC1(C#N)CCN(C)CC1	ZINC000070197067	345481083	/nfs/dbraw/zinc/48/10/83/345481083.db2.gz	TUGUPSPYFIOHJQ-UHFFFAOYSA-N	0	1	241.360	0.844	20	30		BCEDMN
N#Cc1cc(CN2CCC[C@H]2CO)ccn1	ZINC000082669201	345664612	/nfs/dbraw/zinc/66/46/12/345664612.db2.gz	GRPNWAMMJXRNHT-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000359915218	345795700	/nfs/dbraw/zinc/79/57/00/345795700.db2.gz	CVRHQXVSTRZOLY-QMMMGPOBSA-N	0	1	234.215	0.733	20	30		BCEDMN
N#CCN(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000601016219	345995656	/nfs/dbraw/zinc/99/56/56/345995656.db2.gz	XAYRKZYSGUKBSL-UHFFFAOYSA-N	0	1	219.248	0.252	20	30		BCEDMN
N#CCN(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000601016219	345995658	/nfs/dbraw/zinc/99/56/58/345995658.db2.gz	XAYRKZYSGUKBSL-UHFFFAOYSA-N	0	1	219.248	0.252	20	30		BCEDMN
CCN(CC#N)C(=O)CCc1c[nH]nn1	ZINC000601015897	345995793	/nfs/dbraw/zinc/99/57/93/345995793.db2.gz	POTDDHBNXWBQHR-UHFFFAOYSA-N	0	1	207.237	0.109	20	30		BCEDMN
CCN(CC#N)C(=O)CCc1cnn[nH]1	ZINC000601015897	345995796	/nfs/dbraw/zinc/99/57/96/345995796.db2.gz	POTDDHBNXWBQHR-UHFFFAOYSA-N	0	1	207.237	0.109	20	30		BCEDMN
N#CC1(NC(=O)Cc2nnc[nH]2)CCCCC1	ZINC000601026974	346000624	/nfs/dbraw/zinc/00/06/24/346000624.db2.gz	UNDDVUWMSPTCFD-UHFFFAOYSA-N	0	1	233.275	0.690	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)CCc1nn[nH]n1	ZINC000601027536	346001145	/nfs/dbraw/zinc/00/11/45/346001145.db2.gz	VXPKSZRJVINSFO-UHFFFAOYSA-N	0	1	236.279	0.283	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635783332	346068359	/nfs/dbraw/zinc/06/83/59/346068359.db2.gz	FAIYUNXJRXDVPB-NXEZZACHSA-N	0	1	235.287	0.832	20	30		BCEDMN
C[N@@H+](CC(=O)NCC#CCO)CC(C)(C)C	ZINC000635900669	346106575	/nfs/dbraw/zinc/10/65/75/346106575.db2.gz	QDGNDVGEXFFFHG-UHFFFAOYSA-N	0	1	226.320	0.076	20	30		BCEDMN
C=CCNC(=O)N1CCN(C)C(C)(C)C1	ZINC000641734966	362663136	/nfs/dbraw/zinc/66/31/36/362663136.db2.gz	COYDOUFAORXCPW-UHFFFAOYSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000636006188	346148047	/nfs/dbraw/zinc/14/80/47/346148047.db2.gz	WKCVCTXBWKZPCM-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)N1CC(N(C)C)C1	ZINC000336337253	346282291	/nfs/dbraw/zinc/28/22/91/346282291.db2.gz	MUDLJYKYZSBPNO-NSHDSACASA-N	0	1	209.293	0.699	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)N(C)C	ZINC000636056305	346303132	/nfs/dbraw/zinc/30/31/32/346303132.db2.gz	LLXGCOJWQWKWGA-VWYCJHECSA-N	0	1	226.320	0.644	20	30		BCEDMN
C=CCCCN1CCN(C(=O)[C@H](C)O)CC1	ZINC000270846748	166234110	/nfs/dbraw/zinc/23/41/10/166234110.db2.gz	GYZHMILCDJGSDT-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1CCN1C1CCCC1	ZINC000636228447	346361909	/nfs/dbraw/zinc/36/19/09/346361909.db2.gz	DNPFTUZBXSKJBQ-ZYHUDNBSSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000636228446	346362058	/nfs/dbraw/zinc/36/20/58/346362058.db2.gz	DNPFTUZBXSKJBQ-PWSUYJOCSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=CCCCN1C[C@@H](O)C[C@@H]1C(=O)OC	ZINC000163766266	166236452	/nfs/dbraw/zinc/23/64/52/166236452.db2.gz	MWBVIJMVSRPZNI-VHSXEESVSA-N	0	1	213.277	0.561	20	30		BCEDMN
CC#CCN1CCC[C@H](CS(=O)(=O)NC)C1	ZINC000626167018	346453942	/nfs/dbraw/zinc/45/39/42/346453942.db2.gz	LNKZPBDDPKKGGI-NSHDSACASA-N	0	1	244.360	0.271	20	30		BCEDMN
CC#CCNC(=O)N1CCN(C)C(C)(C)C1	ZINC000641815091	362769154	/nfs/dbraw/zinc/76/91/54/362769154.db2.gz	AGZHSURHGZVJBP-UHFFFAOYSA-N	0	1	223.320	0.745	20	30		BCEDMN
C[NH+](C)C1CN(C(=O)c2cc([O-])cc(C#N)c2)C1	ZINC000589195980	346672613	/nfs/dbraw/zinc/67/26/13/346672613.db2.gz	RMEPXLGMVSZYPB-UHFFFAOYSA-N	0	1	245.282	0.650	20	30		BCEDMN
Cc1nnc(NC(=O)c2cccc(C#N)n2)[nH]1	ZINC000589429218	346699667	/nfs/dbraw/zinc/69/96/67/346699667.db2.gz	BBDFYISQTHAJRZ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cccc(C#N)n2)n1	ZINC000589429218	346699670	/nfs/dbraw/zinc/69/96/70/346699670.db2.gz	BBDFYISQTHAJRZ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
C=CCCN1CCN(C(=O)CC#N)CC1	ZINC000580260685	346804045	/nfs/dbraw/zinc/80/40/45/346804045.db2.gz	VBPWALLRHZSRNT-UHFFFAOYSA-N	0	1	207.277	0.620	20	30		BCEDMN
C=CCN1CC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000363912128	347174905	/nfs/dbraw/zinc/17/49/05/347174905.db2.gz	WRCAFWHSFWTXFC-VIFPVBQESA-N	0	1	236.275	0.498	20	30		BCEDMN
C[C@H](CC#N)NC(=O)CCCCc1cn[nH]n1	ZINC000184775650	347177767	/nfs/dbraw/zinc/17/77/67/347177767.db2.gz	DWNNBUCZNGHEKK-SECBINFHSA-N	0	1	235.291	0.936	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2cc[nH]c2)CC1	ZINC000609459993	347187343	/nfs/dbraw/zinc/18/73/43/347187343.db2.gz	IFKFJUCNTOZZPX-UHFFFAOYSA-N	0	1	232.287	0.732	20	30		BCEDMN
CN1CC[C@H](N2CCC[C@H](CC#N)C2)C1=O	ZINC000397600232	347229895	/nfs/dbraw/zinc/22/98/95/347229895.db2.gz	LQHASOFCEMALGT-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
N#Cc1nccc(NCCN2CCSCC2)n1	ZINC000310497727	347289615	/nfs/dbraw/zinc/28/96/15/347289615.db2.gz	HETFFVDVLYGXLN-UHFFFAOYSA-N	0	1	249.343	0.809	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)Cc1nnc[nH]1	ZINC000601444467	347363887	/nfs/dbraw/zinc/36/38/87/347363887.db2.gz	CPHFKEZRRVEBOS-ZETCQYMHSA-N	0	1	207.237	0.156	20	30		BCEDMN
C[N@@H+](CC(=O)N1CC(C#N)C1)[C@H]1CCSC1	ZINC000590486021	347376247	/nfs/dbraw/zinc/37/62/47/347376247.db2.gz	ARBBQCWYSHXSSP-JTQLQIEISA-N	0	1	239.344	0.406	20	30		BCEDMN
CN(CC(=O)N1CC(C#N)C1)[C@H]1CCSC1	ZINC000590486021	347376249	/nfs/dbraw/zinc/37/62/49/347376249.db2.gz	ARBBQCWYSHXSSP-JTQLQIEISA-N	0	1	239.344	0.406	20	30		BCEDMN
CN(C)Cc1ccc(C(=O)N2CC(C#N)C2)cn1	ZINC000590486233	347376947	/nfs/dbraw/zinc/37/69/47/347376947.db2.gz	VVTCBLAQYZCSEF-UHFFFAOYSA-N	0	1	244.298	0.739	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cnc[nH]1	ZINC000616928845	347495701	/nfs/dbraw/zinc/49/57/01/347495701.db2.gz	OJUHAXXFJLBUGT-MNOVXSKESA-N	0	1	235.287	0.959	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000491072753	362847422	/nfs/dbraw/zinc/84/74/22/362847422.db2.gz	VOKONJAUQJEQDY-LLVKDONJSA-N	0	1	237.347	0.150	20	30		BCEDMN
C=CCOCCNC(=O)CN(CC)C1CC1	ZINC000679516979	488356298	/nfs/dbraw/zinc/35/62/98/488356298.db2.gz	VLPMSGKYZQNEGM-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1cncc(C#N)n1	ZINC000577273351	365911858	/nfs/dbraw/zinc/91/18/58/365911858.db2.gz	XRNKVARLTXWWKI-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
CSC[C@H](O)CNCC(C)(C)C#N	ZINC000591759672	347692607	/nfs/dbraw/zinc/69/26/07/347692607.db2.gz	SWQNPQUQVPUAFZ-MRVPVSSYSA-N	0	1	202.323	0.850	20	30		BCEDMN
COCCOC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759682	347692662	/nfs/dbraw/zinc/69/26/62/347692662.db2.gz	TXLSBSLRSZQHTH-JTQLQIEISA-N	0	1	230.308	0.150	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(CC[C@@H](C)O)CC1	ZINC000591845736	347706340	/nfs/dbraw/zinc/70/63/40/347706340.db2.gz	SNOMPFRBYOVCHI-OLZOCXBDSA-N	0	1	239.363	0.923	20	30		BCEDMN
COc1ncncc1CNCCCC#N	ZINC000592367522	347775458	/nfs/dbraw/zinc/77/54/58/347775458.db2.gz	QVKSUBFBFVJKSU-UHFFFAOYSA-N	0	1	206.249	0.879	20	30		BCEDMN
CCOC(=O)CC[N@H+]1CC[C@](O)(CC#N)C1	ZINC000592148296	347740522	/nfs/dbraw/zinc/74/05/22/347740522.db2.gz	TZMQQSPKEIVBPL-LLVKDONJSA-N	0	1	226.276	0.290	20	30		BCEDMN
CCOC(=O)CCN1CC[C@](O)(CC#N)C1	ZINC000592148296	347740525	/nfs/dbraw/zinc/74/05/25/347740525.db2.gz	TZMQQSPKEIVBPL-LLVKDONJSA-N	0	1	226.276	0.290	20	30		BCEDMN
COC(=O)[C@@H]1C[C@H](O)CN(CCCC#N)C1	ZINC000592207042	347757914	/nfs/dbraw/zinc/75/79/14/347757914.db2.gz	OBNWOQAMMLMBAG-ZJUUUORDSA-N	0	1	226.276	0.146	20	30		BCEDMN
C=CCOCCN1C[C@@H]2C[C@H]1C[S@]2=O	ZINC000593098793	347856209	/nfs/dbraw/zinc/85/62/09/347856209.db2.gz	DPANASHPZPBOIG-PKFCDNJMSA-N	0	1	215.318	0.394	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@@H]1CCN(CCOC)C1	ZINC000593457698	347898989	/nfs/dbraw/zinc/89/89/89/347898989.db2.gz	IEFDUJZNWZDGHJ-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCc1cc(C)[nH]n1	ZINC000593469789	347900803	/nfs/dbraw/zinc/90/08/03/347900803.db2.gz	ZZJJHJYCICZIOH-QMMMGPOBSA-N	0	1	206.249	0.884	20	30		BCEDMN
N#Cc1ccc(N2CC(N3CC[C@@H](O)C3)C2)cc1	ZINC000593509029	347901632	/nfs/dbraw/zinc/90/16/32/347901632.db2.gz	YNOKUGLECZCZOY-CQSZACIVSA-N	0	1	243.310	0.813	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NC1(c2nnc[nH]2)CCC1	ZINC000593648579	347926075	/nfs/dbraw/zinc/92/60/75/347926075.db2.gz	NTUPYWOWRQOJDR-QMMMGPOBSA-N	0	1	233.275	0.850	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000593733020	347937739	/nfs/dbraw/zinc/93/77/39/347937739.db2.gz	UPFIJTNBRLZSHF-SSDOTTSWSA-N	0	1	233.275	0.848	20	30		BCEDMN
N#Cc1ccc(N2CC(N3CC[C@@H](O)C3)C2)cn1	ZINC000593504560	347907771	/nfs/dbraw/zinc/90/77/71/347907771.db2.gz	PYYYSWDEYIWLPQ-CYBMUJFWSA-N	0	1	244.298	0.208	20	30		BCEDMN
C[C@@H]1[C@H](O)CCN1Cc1ccc(C#N)cn1	ZINC000594004599	347983865	/nfs/dbraw/zinc/98/38/65/347983865.db2.gz	MKHATOXJXUOEJN-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
CCOC(=O)[C@H]1CCCN1C(=O)C(C)C#N	ZINC000044827290	348024085	/nfs/dbraw/zinc/02/40/85/348024085.db2.gz	NCQPZPFWBOTPDZ-RKDXNWHRSA-N	0	1	224.260	0.700	20	30		BCEDMN
C[C@@H]1CN(C(=O)CCCCC#N)CCN1	ZINC000594424373	348051280	/nfs/dbraw/zinc/05/12/80/348051280.db2.gz	CALCSPAUAPZMDV-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
CC(C)OC[C@@H](O)CN1CC(CC#N)C1	ZINC000594715933	348105559	/nfs/dbraw/zinc/10/55/59/348105559.db2.gz	DQZOWXCJPBUMME-NSHDSACASA-N	0	1	212.293	0.618	20	30		BCEDMN
C[C@]1(C#N)CCCN(C[C@H]2CNC(=O)C2)C1	ZINC000595423658	348246231	/nfs/dbraw/zinc/24/62/31/348246231.db2.gz	GCWUALNKWKYHBA-ZYHUDNBSSA-N	0	1	221.304	0.748	20	30		BCEDMN
C[C@@]1(C#N)CCCN(CCc2c[nH]nn2)C1	ZINC000595428534	348247616	/nfs/dbraw/zinc/24/76/16/348247616.db2.gz	YMPTWMGPIKOOIO-NSHDSACASA-N	0	1	219.292	0.973	20	30		BCEDMN
C=CCN(CCC#N)CCc1c[nH]nn1	ZINC000595501553	348264036	/nfs/dbraw/zinc/26/40/36/348264036.db2.gz	MMXAWJFIEWUFMK-UHFFFAOYSA-N	0	1	205.265	0.749	20	30		BCEDMN
CC[C@H](CC#N)NCCN1C(=O)CN(C)C1=O	ZINC000595530511	348272998	/nfs/dbraw/zinc/27/29/98/348272998.db2.gz	RCYSPKHLBVAOJW-SECBINFHSA-N	0	1	238.291	0.162	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)Cc1ccncc1C#N	ZINC000595544529	348277649	/nfs/dbraw/zinc/27/76/49/348277649.db2.gz	ATAKFHOVIWCLBH-UHFFFAOYSA-N	0	1	245.242	0.674	20	30		BCEDMN
COC[C@H](NCCC#N)C1CCOCC1	ZINC000595616199	348289112	/nfs/dbraw/zinc/28/91/12/348289112.db2.gz	QQNKAJSAKKNDDP-NSHDSACASA-N	0	1	212.293	0.931	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H]2C[C@@H]2C1	ZINC000595808651	348348903	/nfs/dbraw/zinc/34/89/03/348348903.db2.gz	ORZRNLQXPKRSTN-NXEZZACHSA-N	0	1	237.303	0.340	20	30		BCEDMN
N#Cc1cccc(CN2CCC(CO)(CO)C2)c1	ZINC000595798802	348346438	/nfs/dbraw/zinc/34/64/38/348346438.db2.gz	HAKNRGYSJSFNAM-UHFFFAOYSA-N	0	1	246.310	0.735	20	30		BCEDMN
C[C@]1(C#N)CCN(CCCC(=O)NC(N)=O)C1	ZINC000595839043	348372583	/nfs/dbraw/zinc/37/25/83/348372583.db2.gz	GTJPIJPLKQGSBA-LLVKDONJSA-N	0	1	238.291	0.197	20	30		BCEDMN
CNC(=O)CCCN1CC[C@@](C)(C#N)C1	ZINC000595840781	348375360	/nfs/dbraw/zinc/37/53/60/348375360.db2.gz	FGRXHJAUEKLWPT-NSHDSACASA-N	0	1	209.293	0.748	20	30		BCEDMN
C=CCC[C@@H](O)CN1CC[C@](F)(C(=O)OC)C1	ZINC000268435659	166298153	/nfs/dbraw/zinc/29/81/53/166298153.db2.gz	DZUOGWWHJRANAQ-ZYHUDNBSSA-N	0	1	245.294	0.901	20	30		BCEDMN
C=CCNC(=O)CNCc1ccnc(C)c1	ZINC000623487217	362911768	/nfs/dbraw/zinc/91/17/68/362911768.db2.gz	WZEKUYALFCGQED-UHFFFAOYSA-N	0	1	219.288	0.782	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(CC)C[C@H](C)C#N	ZINC000595864334	348384793	/nfs/dbraw/zinc/38/47/93/348384793.db2.gz	YLLMIVQIMLZDFN-GHMZBOCLSA-N	0	1	239.319	0.131	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)CO	ZINC000245704399	192139053	/nfs/dbraw/zinc/13/90/53/192139053.db2.gz	YESCZQKARYYBHL-ZYHUDNBSSA-N	0	1	241.335	0.353	20	30		BCEDMN
CCN1CCN(c2c(C#N)cnn2C)C[C@@H]1C	ZINC000596173495	348461761	/nfs/dbraw/zinc/46/17/61/348461761.db2.gz	VSAIEEPYSINOPY-JTQLQIEISA-N	0	1	233.319	0.822	20	30		BCEDMN
CN(CC1CN(C)C1)c1ncncc1C#N	ZINC000596454197	348551696	/nfs/dbraw/zinc/55/16/96/348551696.db2.gz	PIFBROJEZHRARG-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
CCc1nc(C#N)cc(N(C)CC2CN(C)C2)n1	ZINC000596452895	348551964	/nfs/dbraw/zinc/55/19/64/348551964.db2.gz	HSGWUGCYYWBTKD-UHFFFAOYSA-N	0	1	245.330	0.908	20	30		BCEDMN
COCc1nc(CNc2cc(C#N)ccn2)n[nH]1	ZINC000596435189	348546351	/nfs/dbraw/zinc/54/63/51/348546351.db2.gz	BHSLJEWXFPQIIC-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2cc(C#N)ccn2)[nH]1	ZINC000596435189	348546353	/nfs/dbraw/zinc/54/63/53/348546353.db2.gz	BHSLJEWXFPQIIC-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CCCN(C)CC1	ZINC000596630239	348597667	/nfs/dbraw/zinc/59/76/67/348597667.db2.gz	HMYOZEIJNAJOES-JTQLQIEISA-N	0	1	209.293	0.700	20	30		BCEDMN
Cc1nc(CC(=O)N[C@@H](C#N)CC(C)C)n[nH]1	ZINC000597075977	348652259	/nfs/dbraw/zinc/65/22/59/348652259.db2.gz	NHKBIOODDCLHMO-SECBINFHSA-N	0	1	235.291	0.710	20	30		BCEDMN
CCN(CCC#N)C(=O)C1(N(C)C)CC1	ZINC000596889760	348629655	/nfs/dbraw/zinc/62/96/55/348629655.db2.gz	FOBYDTOMAJNXLC-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
CN(CCC#N)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000596910386	348632151	/nfs/dbraw/zinc/63/21/51/348632151.db2.gz	LPCUCJKFKUVQGH-VIFPVBQESA-N	0	1	232.287	0.887	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597189521	348685878	/nfs/dbraw/zinc/68/58/78/348685878.db2.gz	WNXDUYMERGMWMY-PSASIEDQSA-N	0	1	247.302	0.889	20	30		BCEDMN
N#CC1(CNC(=O)[C@H]2CCCc3n[nH]nc32)CC1	ZINC000597608613	348768972	/nfs/dbraw/zinc/76/89/72/348768972.db2.gz	CXLOMFJAHHDMEQ-QMMMGPOBSA-N	0	1	245.286	0.645	20	30		BCEDMN
C[C@@H](CC#N)C(=O)NCCCc1nc[nH]n1	ZINC000597610799	348770210	/nfs/dbraw/zinc/77/02/10/348770210.db2.gz	PPEHOQKVGLOXKF-QMMMGPOBSA-N	0	1	221.264	0.403	20	30		BCEDMN
N#CC1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1	ZINC000597698094	348795221	/nfs/dbraw/zinc/79/52/21/348795221.db2.gz	HEZKJGWQDRQMPC-SECBINFHSA-N	0	1	230.271	0.497	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597489468	348740452	/nfs/dbraw/zinc/74/04/52/348740452.db2.gz	LBHLOUNEYFIWBR-MRVPVSSYSA-N	0	1	247.302	0.891	20	30		BCEDMN
CN(Cc1cnc[nH]1)C(=O)c1ccc(C#N)n1C	ZINC000597857419	348827815	/nfs/dbraw/zinc/82/78/15/348827815.db2.gz	LDDODFCWZGOTNK-UHFFFAOYSA-N	0	1	243.270	0.892	20	30		BCEDMN
C=CCCSCCNC(=O)CN(C)C	ZINC000597972146	348856859	/nfs/dbraw/zinc/85/68/59/348856859.db2.gz	KCYMKGPHBLSNJW-UHFFFAOYSA-N	0	1	216.350	0.974	20	30		BCEDMN
C[N@H+]1CCCC[C@H]1C(=O)N1CC(CC#N)C1	ZINC000598022293	348861404	/nfs/dbraw/zinc/86/14/04/348861404.db2.gz	CQUYJKCLWZGMKU-NSHDSACASA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CC(CC#N)C1	ZINC000598022293	348861407	/nfs/dbraw/zinc/86/14/07/348861407.db2.gz	CQUYJKCLWZGMKU-NSHDSACASA-N	0	1	221.304	0.843	20	30		BCEDMN
CCN(C(=O)[C@@H]1CCCN1C)[C@@H](C)C#N	ZINC000598359874	348945255	/nfs/dbraw/zinc/94/52/55/348945255.db2.gz	NLDZAKBIVQDSHW-UWVGGRQHSA-N	0	1	209.293	0.841	20	30		BCEDMN
COC(=O)[C@@](C)(CCF)NC(=O)C(C)C#N	ZINC000598283274	348922241	/nfs/dbraw/zinc/92/22/41/348922241.db2.gz	LEQCONOTFTXCAC-GMSGAONNSA-N	0	1	230.239	0.554	20	30		BCEDMN
CC1(C)CC[C@H](CO)N(CC(=O)NCC#N)C1	ZINC000598647513	349011280	/nfs/dbraw/zinc/01/12/80/349011280.db2.gz	NFLVWQRSGICKGP-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
CC1(C)CCCN(C(=O)Cc2ncn[nH]2)[C@H]1C#N	ZINC000601535038	349295669	/nfs/dbraw/zinc/29/56/69/349295669.db2.gz	VTNQOKPWCJQTCE-VIFPVBQESA-N	0	1	247.302	0.888	20	30		BCEDMN
CC1(C#N)CN(C(=O)CCc2c[nH]nn2)C1	ZINC000601541420	349299549	/nfs/dbraw/zinc/29/95/49/349299549.db2.gz	GBRPSOJITDXDMQ-UHFFFAOYSA-N	0	1	219.248	0.109	20	30		BCEDMN
CC1(C#N)CN(C(=O)CCc2cnn[nH]2)C1	ZINC000601541420	349299552	/nfs/dbraw/zinc/29/95/52/349299552.db2.gz	GBRPSOJITDXDMQ-UHFFFAOYSA-N	0	1	219.248	0.109	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)c1cnn[nH]1)C(=O)OC	ZINC000601787602	349344240	/nfs/dbraw/zinc/34/42/40/349344240.db2.gz	ZUQAVNSZZFMTFD-ZETCQYMHSA-N	0	1	238.247	0.042	20	30		BCEDMN
C=CCN(CCC#N)C(=O)Cc1ncn[nH]1	ZINC000601591454	349304646	/nfs/dbraw/zinc/30/46/46/349304646.db2.gz	MHZAAIMYZVVAIK-UHFFFAOYSA-N	0	1	219.248	0.275	20	30		BCEDMN
N#CC1(CNC(=O)Cc2nnc[nH]2)CCCC1	ZINC000601649839	349314997	/nfs/dbraw/zinc/31/49/97/349314997.db2.gz	BTIZNGGJFJTURQ-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
Cc1[nH]n(CC(C)(C)O)c(=O)c1CCC#N	ZINC000601956021	349399268	/nfs/dbraw/zinc/39/92/68/349399268.db2.gz	VVXOSDOOGBWKLH-VIFPVBQESA-N	0	1	223.276	0.895	20	30		BCEDMN
N#CC1(NC(=O)CN2C[C@@H]3COC[C@@H]3C2)CCC1	ZINC000601975124	349405406	/nfs/dbraw/zinc/40/54/06/349405406.db2.gz	YHKITLPQQAWZDQ-PHIMTYICSA-N	0	1	249.314	0.127	20	30		BCEDMN
CN(C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000601807763	349360723	/nfs/dbraw/zinc/36/07/23/349360723.db2.gz	IRLSVXAKKNASAO-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
N#CCCn1[nH]c([C@@H]2CCOC2)cc1=O	ZINC000601932955	349386020	/nfs/dbraw/zinc/38/60/20/349386020.db2.gz	VQSBGCVYLUYVNM-MRVPVSSYSA-N	0	1	207.233	0.525	20	30		BCEDMN
CCOC(=O)Cc1cc(=O)n([C@@H](C)CC#N)[nH]1	ZINC000601934464	349388096	/nfs/dbraw/zinc/38/80/96/349388096.db2.gz	AQUNAIBVTCTEJX-QMMMGPOBSA-N	0	1	237.259	0.830	20	30		BCEDMN
CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000602080378	349430253	/nfs/dbraw/zinc/43/02/53/349430253.db2.gz	KIXSCFFHTRVZND-RKDXNWHRSA-N	0	1	218.260	0.885	20	30		BCEDMN
C[C@H](C(=O)N(CCC#N)CCC#N)N(C)C	ZINC000602080832	349431163	/nfs/dbraw/zinc/43/11/63/349431163.db2.gz	ZMKRFKITRALALE-SNVBAGLBSA-N	0	1	222.292	0.592	20	30		BCEDMN
C=CCN(C)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC000275065210	166315701	/nfs/dbraw/zinc/31/57/01/166315701.db2.gz	JKPDLFFAKKSPKJ-LLVKDONJSA-N	0	1	240.351	0.060	20	30		BCEDMN
C=C(C)COCCNCc1cnnn1C	ZINC000131387419	191012257	/nfs/dbraw/zinc/01/22/57/191012257.db2.gz	RODSBILJGPFCEE-UHFFFAOYSA-N	0	1	210.281	0.497	20	30		BCEDMN
CCOC(=O)Cc1cc(=O)n(CCC#N)[nH]1	ZINC000603923620	350054038	/nfs/dbraw/zinc/05/40/38/350054038.db2.gz	JDEBDIJJYNUYFV-UHFFFAOYSA-N	0	1	223.232	0.442	20	30		BCEDMN
Cc1nnc(NC(=O)Cc2noc(C)c2C#N)[nH]1	ZINC000354459521	180008125	/nfs/dbraw/zinc/00/81/25/180008125.db2.gz	APENPJHBHJJSLN-UHFFFAOYSA-N	0	1	246.230	0.462	20	30		BCEDMN
C=CCOCCCNC(=O)[C@H](C)N(C)C	ZINC000618526456	350148818	/nfs/dbraw/zinc/14/88/18/350148818.db2.gz	RBTGAAOCYJTRGH-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCCN1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000132347803	191031382	/nfs/dbraw/zinc/03/13/82/191031382.db2.gz	RWYKZFXCIWYSPO-GFCCVEGCSA-N	0	1	238.331	0.886	20	30		BCEDMN
C=CCOCCCNC(=O)Cc1cc(C)n[nH]1	ZINC000618526302	350152216	/nfs/dbraw/zinc/15/22/16/350152216.db2.gz	PTMRWKBYJDLRFR-UHFFFAOYSA-N	0	1	237.303	0.970	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000426861090	191048004	/nfs/dbraw/zinc/04/80/04/191048004.db2.gz	HCLBAORBXRJFBV-QMMMGPOBSA-N	0	1	223.276	0.350	20	30		BCEDMN
C=C[C@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000426861089	191048105	/nfs/dbraw/zinc/04/81/05/191048105.db2.gz	HCLBAORBXRJFBV-MRVPVSSYSA-N	0	1	223.276	0.350	20	30		BCEDMN
N#Cc1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000313629102	350163800	/nfs/dbraw/zinc/16/38/00/350163800.db2.gz	FFHUYCJBWYOSMA-UHFFFAOYSA-N	0	1	246.310	0.877	20	30		BCEDMN
CC(C)(CC#N)CNS(=O)(=O)c1ncc[nH]1	ZINC000316328225	350214698	/nfs/dbraw/zinc/21/46/98/350214698.db2.gz	YXJMJWSSIKQJPO-UHFFFAOYSA-N	0	1	242.304	0.628	20	30		BCEDMN
C=C(C)CCNC(=O)NCCN1CC[C@@H](O)C1	ZINC000637189246	350247319	/nfs/dbraw/zinc/24/73/19/350247319.db2.gz	GTITVXOJRWNADK-LLVKDONJSA-N	0	1	241.335	0.318	20	30		BCEDMN
CN(C)C1(C(=O)NCC#N)Cc2ccccc2C1	ZINC000365447694	350282481	/nfs/dbraw/zinc/28/24/81/350282481.db2.gz	LTQKEUKTZZDENR-UHFFFAOYSA-N	0	1	243.310	0.725	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1cc(C#N)ncn1	ZINC000309294180	350268912	/nfs/dbraw/zinc/26/89/12/350268912.db2.gz	KJJOFDAURDOJIX-VIFPVBQESA-N	0	1	217.276	0.489	20	30		BCEDMN
COCCNCC(=O)Nc1nnc(C)s1	ZINC000026439505	350274473	/nfs/dbraw/zinc/27/44/73/350274473.db2.gz	HOMWSVVXCJUCTA-UHFFFAOYSA-N	0	1	230.293	0.671	20	30		BCEDMN
C[C@H]1C[C@H]1C(=O)NC1(C#N)CCN(C)CC1	ZINC000040221874	350358974	/nfs/dbraw/zinc/35/89/74/350358974.db2.gz	DZOCYAYMVYAYRZ-VHSXEESVSA-N	0	1	221.304	0.747	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CCO[C@H](C#N)C2)C1	ZINC000580783828	350438187	/nfs/dbraw/zinc/43/81/87/350438187.db2.gz	WRTXCXZMQYHFSX-WDEREUQCSA-N	0	1	237.303	0.079	20	30		BCEDMN
C=CCCN(C)CCCS(C)(=O)=O	ZINC000336643373	350413446	/nfs/dbraw/zinc/41/34/46/350413446.db2.gz	HKRZSAYURZEOHN-UHFFFAOYSA-N	0	1	205.323	0.929	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC(CO)CC2)C1=O	ZINC000337127314	350558721	/nfs/dbraw/zinc/55/87/21/350558721.db2.gz	GYMJZQMHGQEYCA-GFCCVEGCSA-N	0	1	238.331	0.478	20	30		BCEDMN
N#CC[C@@H]1CCCN(CCN2CCNC2=O)C1	ZINC000397745173	350969885	/nfs/dbraw/zinc/96/98/85/350969885.db2.gz	BBVNLXWIXXRGHF-NSHDSACASA-N	0	1	236.319	0.637	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCc1c[nH]nn1	ZINC000398414762	351141711	/nfs/dbraw/zinc/14/17/11/351141711.db2.gz	VMWINXMQHFESHB-SECBINFHSA-N	0	1	207.237	0.361	20	30		BCEDMN
C[C@@H](N[C@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N	ZINC000274142248	351560946	/nfs/dbraw/zinc/56/09/46/351560946.db2.gz	XKVBBMBSICFJNS-NXEZZACHSA-N	0	1	249.318	0.821	20	30		BCEDMN
N#CCOc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000278777991	351782953	/nfs/dbraw/zinc/78/29/53/351782953.db2.gz	NKEMEIINFUBVEF-BETUJISGSA-N	0	1	248.282	0.126	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@H](O)CC)C1=O	ZINC000281171815	351878373	/nfs/dbraw/zinc/87/83/73/351878373.db2.gz	AHOSVSNOSHAYPK-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cnccc1N(C)C	ZINC000281964034	351918206	/nfs/dbraw/zinc/91/82/06/351918206.db2.gz	KPWCLALNBMOEDN-UHFFFAOYSA-N	0	1	242.282	0.747	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cnc(C)[nH]1	ZINC000281969199	351918632	/nfs/dbraw/zinc/91/86/32/351918632.db2.gz	KZSNRZRREUYFME-UHFFFAOYSA-N	0	1	202.217	0.317	20	30		BCEDMN
C=CC[C@H](C)NC(=O)c1cnc(CN)nc1	ZINC000638011114	351887369	/nfs/dbraw/zinc/88/73/69/351887369.db2.gz	UTWOLYXAXMKWOF-QMMMGPOBSA-N	0	1	220.276	0.630	20	30		BCEDMN
C#CCCN[C@H](C(N)=O)c1ccccc1	ZINC000264930148	187572102	/nfs/dbraw/zinc/57/21/02/187572102.db2.gz	AHSDVNKXRPDBBS-NSHDSACASA-N	0	1	202.257	0.826	20	30		BCEDMN
CC#CCCNC(=O)Cc1n[nH]c(C)n1	ZINC000613319646	363105036	/nfs/dbraw/zinc/10/50/36/363105036.db2.gz	DZHNIMKMJQLNEM-UHFFFAOYSA-N	0	1	206.249	0.185	20	30		BCEDMN
C=CCC[C@H](O)CN(C)[C@@H]1CCNC1=O	ZINC000340222155	352078335	/nfs/dbraw/zinc/07/83/35/352078335.db2.gz	NJJQIQYZHYDPQY-VHSXEESVSA-N	0	1	212.293	0.134	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000286191807	352079662	/nfs/dbraw/zinc/07/96/62/352079662.db2.gz	BCRUCQHPRYANBP-ZCFIWIBFSA-N	0	1	237.219	0.596	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCNC[C@@H]1C(C)C	ZINC000528048365	323752169	/nfs/dbraw/zinc/75/21/69/323752169.db2.gz	KHLYCQYQMMASEV-LLVKDONJSA-N	0	1	246.376	0.822	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)[C@H]2CNCCO2)C1	ZINC000638471274	352281409	/nfs/dbraw/zinc/28/14/09/352281409.db2.gz	AEFKVFOPXXLGFS-GHMZBOCLSA-N	0	1	224.304	0.399	20	30		BCEDMN
C[C@@H](NCc1cc(C#N)n(C)c1)C(=O)N(C)C	ZINC000232314087	352617788	/nfs/dbraw/zinc/61/77/88/352617788.db2.gz	JXDZMRDEVVEVPA-SECBINFHSA-N	0	1	234.303	0.463	20	30		BCEDMN
CC#CCN1CCSC[C@H](C(=O)OC)C1	ZINC000412083792	191255457	/nfs/dbraw/zinc/25/54/57/191255457.db2.gz	SMVAODBNLWRPJT-SNVBAGLBSA-N	0	1	227.329	0.848	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)C1CC1	ZINC000046601710	353146104	/nfs/dbraw/zinc/14/61/04/353146104.db2.gz	PRGJSPIAIGAXRC-UHFFFAOYSA-N	0	1	211.265	0.092	20	30		BCEDMN
COC[C@](C)(CCO)NCC1(C#N)CC1	ZINC000336755722	353149528	/nfs/dbraw/zinc/14/95/28/353149528.db2.gz	IFPBLBCCKQZTLT-JTQLQIEISA-N	0	1	212.293	0.667	20	30		BCEDMN
CN1C[C@@H](NC(=O)CCc2cnc[nH]2)CC1=O	ZINC000329424598	538109000	/nfs/dbraw/zinc/10/90/00/538109000.db2.gz	IFGKBWHOBZIQST-VIFPVBQESA-N	0	1	236.275	0.530	20	30		BCEDMN
N#CCCS(=O)(=O)NCCN1CCCCC1	ZINC000330855782	353194764	/nfs/dbraw/zinc/19/47/64/353194764.db2.gz	YWYMEMQARLGBOS-UHFFFAOYSA-N	0	1	245.348	0.305	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@@H](C)CN1CCOCC1	ZINC000330828876	353184362	/nfs/dbraw/zinc/18/43/62/353184362.db2.gz	TWTVGCARFGLLSY-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
CN(CC#N)C(=O)CCCCc1cn[nH]n1	ZINC000330850226	353193841	/nfs/dbraw/zinc/19/38/41/353193841.db2.gz	QAZTWJNMPRFHMK-UHFFFAOYSA-N	0	1	221.264	0.499	20	30		BCEDMN
COCC(C)(C)NC([O-])=[NH+]CCn1cncn1	ZINC000330933993	353207312	/nfs/dbraw/zinc/20/73/12/353207312.db2.gz	GMZGDVFMVXWDBA-UHFFFAOYSA-N	0	1	241.295	0.207	20	30		BCEDMN
COCC(C)(C)NC(=O)NCCn1cncn1	ZINC000330933993	353207314	/nfs/dbraw/zinc/20/73/14/353207314.db2.gz	GMZGDVFMVXWDBA-UHFFFAOYSA-N	0	1	241.295	0.207	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N(C)[C@@H](C)CO	ZINC000331003654	353211054	/nfs/dbraw/zinc/21/10/54/353211054.db2.gz	RPLOTPLXKLTISQ-ZETCQYMHSA-N	0	1	226.280	0.445	20	30		BCEDMN
C[C@H](Cn1cncn1)NC(=O)NCCF	ZINC000331226396	353226338	/nfs/dbraw/zinc/22/63/38/353226338.db2.gz	FJJYACFHWKBDRM-SSDOTTSWSA-N	0	1	215.232	0.140	20	30		BCEDMN
CN(CCCO)C([O-])=[NH+]CCn1cccn1	ZINC000331262779	353239358	/nfs/dbraw/zinc/23/93/58/353239358.db2.gz	DYPHODMAMKZWEA-UHFFFAOYSA-N	0	1	226.280	0.111	20	30		BCEDMN
C=C(Cl)CNC(=O)C[C@H]1COCCN1	ZINC000167959762	188232016	/nfs/dbraw/zinc/23/20/16/188232016.db2.gz	INLJDMPDUYMESX-QMMMGPOBSA-N	0	1	218.684	0.234	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CC=C)CC1	ZINC000161772141	353295212	/nfs/dbraw/zinc/29/52/12/353295212.db2.gz	HFOOJKRRDUBASG-UHFFFAOYSA-N	0	1	220.316	0.976	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000273533078	188263783	/nfs/dbraw/zinc/26/37/83/188263783.db2.gz	WSQCABVTNJILNK-UWVGGRQHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C#C[C@H](C)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000274776258	188265134	/nfs/dbraw/zinc/26/51/34/188265134.db2.gz	KPLKNMSIOWADRV-JQWIXIFHSA-N	0	1	216.284	0.694	20	30		BCEDMN
C=CCN1CC[C@H](N[C@@H](C)c2cnn(C)c2)C1=O	ZINC000281395099	353446087	/nfs/dbraw/zinc/44/60/87/353446087.db2.gz	PZFQPRGYALJRDT-JQWIXIFHSA-N	0	1	248.330	0.858	20	30		BCEDMN
CC#CCCCC(=O)N1CC(N(C)C)C1	ZINC000274524971	188378258	/nfs/dbraw/zinc/37/82/58/188378258.db2.gz	PRCNQXFUEHIUBS-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
CC#CC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000283081647	353495421	/nfs/dbraw/zinc/49/54/21/353495421.db2.gz	DTOVPVNDRGHUNM-VIFPVBQESA-N	0	1	203.245	0.927	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)Cc2n[nH]c(C)n2)C1=O	ZINC000282033557	353460992	/nfs/dbraw/zinc/46/09/92/353460992.db2.gz	QHYPIRODJOBKKB-SNVBAGLBSA-N	0	1	249.318	0.332	20	30		BCEDMN
C=CCN1CC[C@H](N2CCC(O)CC2)C1=O	ZINC000282075067	353462798	/nfs/dbraw/zinc/46/27/98/353462798.db2.gz	TWEMUTUGRQAEPJ-NSHDSACASA-N	0	1	224.304	0.230	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1CCCN1C)C(C)C	ZINC000282196053	353464950	/nfs/dbraw/zinc/46/49/50/353464950.db2.gz	SNSWBKYGICNMNK-WDEREUQCSA-N	0	1	208.305	0.855	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@@H](C)COC)C1=O	ZINC000281895640	353467083	/nfs/dbraw/zinc/46/70/83/353467083.db2.gz	FEYFVWWBPOCFAD-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
CC#CCCN(CCC)[C@@H]1CC(=O)N(C)C1=O	ZINC000282482469	353480336	/nfs/dbraw/zinc/48/03/36/353480336.db2.gz	LVHPLZZACJOUQX-LLVKDONJSA-N	0	1	236.315	0.869	20	30		BCEDMN
C=CCC[C@@H](O)CN(CC)CC(N)=O	ZINC000191732653	353506873	/nfs/dbraw/zinc/50/68/73/353506873.db2.gz	JOBULDQMQVVOQG-SECBINFHSA-N	0	1	200.282	0.121	20	30		BCEDMN
C=CCC[C@H](O)CN(CC)CC(N)=O	ZINC000191732670	353506892	/nfs/dbraw/zinc/50/68/92/353506892.db2.gz	JOBULDQMQVVOQG-VIFPVBQESA-N	0	1	200.282	0.121	20	30		BCEDMN
C[C@H]1CN(CCCSCC#N)C[C@H](CO)O1	ZINC000191787335	353511044	/nfs/dbraw/zinc/51/10/44/353511044.db2.gz	ZFTRATKODZGJSO-WDEREUQCSA-N	0	1	244.360	0.715	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284350100	353511930	/nfs/dbraw/zinc/51/19/30/353511930.db2.gz	RYIYGHIPCUUXKK-VIFPVBQESA-N	0	1	221.260	0.566	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H](C)OC	ZINC000285684310	353539192	/nfs/dbraw/zinc/53/91/92/353539192.db2.gz	NHWVMLTUQDAXNY-SECBINFHSA-N	0	1	200.282	0.255	20	30		BCEDMN
C#CCCCC(=O)N[C@@H](CCC)c1nn[nH]n1	ZINC000192156634	353543866	/nfs/dbraw/zinc/54/38/66/353543866.db2.gz	HWEFTBOLSFNYFL-VIFPVBQESA-N	0	1	235.291	0.961	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@H](C)OC	ZINC000285492829	353544250	/nfs/dbraw/zinc/54/42/50/353544250.db2.gz	CIZILUHHDICANN-UWVGGRQHSA-N	0	1	214.309	0.644	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)OC	ZINC000285867146	353547019	/nfs/dbraw/zinc/54/70/19/353547019.db2.gz	XYWNDIVJZZPMOU-VHSXEESVSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#CCCC[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1	ZINC000289518401	353630444	/nfs/dbraw/zinc/63/04/44/353630444.db2.gz	VNBOHVHVCGRXTK-JTQLQIEISA-N	0	1	234.303	0.691	20	30		BCEDMN
C=C[C@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000290632177	353666259	/nfs/dbraw/zinc/66/62/59/353666259.db2.gz	PKCOGTDSYWIOLH-LLVKDONJSA-N	0	1	226.320	0.381	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCCc2n[nH]cc21	ZINC000291024238	353678289	/nfs/dbraw/zinc/67/82/89/353678289.db2.gz	ARBRXBXLXZCSPO-QMMMGPOBSA-N	0	1	219.244	0.511	20	30		BCEDMN
C#CCONC(=O)Cc1nc(C)sc1C	ZINC000291032062	353678383	/nfs/dbraw/zinc/67/83/83/353678383.db2.gz	FDMQPECMQCLIMT-UHFFFAOYSA-N	0	1	224.285	0.983	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000291024237	353678403	/nfs/dbraw/zinc/67/84/03/353678403.db2.gz	ARBRXBXLXZCSPO-MRVPVSSYSA-N	0	1	219.244	0.511	20	30		BCEDMN
C#CCO[N-]C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000291342603	353686478	/nfs/dbraw/zinc/68/64/78/353686478.db2.gz	WDYIPXMAFYTHJX-LBPRGKRZSA-N	0	1	242.294	0.880	20	30		BCEDMN
C#CCONC(=O)C1=C(C)OCCS1	ZINC000291354638	353687121	/nfs/dbraw/zinc/68/71/21/353687121.db2.gz	XQCZFWXPMSVVPX-UHFFFAOYSA-N	0	1	213.258	0.662	20	30		BCEDMN
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CC#CCNC(=O)NCc1cn[nH]c1C	ZINC000292434978	353713750	/nfs/dbraw/zinc/71/37/50/353713750.db2.gz	NNCYTXNXUKJESP-UHFFFAOYSA-N	0	1	206.249	0.541	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]1CC	ZINC000292474293	353714615	/nfs/dbraw/zinc/71/46/15/353714615.db2.gz	RPOJYXMFASYHTR-VHSXEESVSA-N	0	1	239.319	0.871	20	30		BCEDMN
C#CCCCN1CCc2c(nnn2CCOC)C1	ZINC000293603708	353750158	/nfs/dbraw/zinc/75/01/58/353750158.db2.gz	PCVZXTZJNMUCNT-UHFFFAOYSA-N	0	1	248.330	0.696	20	30		BCEDMN
C#C[C@H](NC(=O)N(C)Cc1nnc[nH]1)C(C)C	ZINC000294348182	353774855	/nfs/dbraw/zinc/77/48/55/353774855.db2.gz	ZBFDGEPWFPGITJ-VIFPVBQESA-N	0	1	235.291	0.604	20	30		BCEDMN
C=CCOCCN1CCCC[C@@H]1C(=O)NC	ZINC000293232718	353737974	/nfs/dbraw/zinc/73/79/74/353737974.db2.gz	WDDMVEFFOLCOCJ-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)CN1CCc2c(nnn2CCOC)C1	ZINC000293419255	353742700	/nfs/dbraw/zinc/74/27/00/353742700.db2.gz	ZRAUYOAILQZRHI-UHFFFAOYSA-N	0	1	236.319	0.859	20	30		BCEDMN
C#CCO[C@H](C)C(=O)Nc1ccc2[nH]nnc2c1	ZINC000295203340	353799467	/nfs/dbraw/zinc/79/94/67/353799467.db2.gz	WGPPMYQPOIDPRL-MRVPVSSYSA-N	0	1	244.254	0.935	20	30		BCEDMN
C#CCNC(=O)CC[N@@H+]1CCC[C@@](C)(F)C1	ZINC000295361940	353804481	/nfs/dbraw/zinc/80/44/81/353804481.db2.gz	JHUSHIHUDZFCDW-GFCCVEGCSA-N	0	1	226.295	0.950	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000295419098	353805837	/nfs/dbraw/zinc/80/58/37/353805837.db2.gz	UBZUEVYJTXORIV-SECBINFHSA-N	0	1	221.260	0.566	20	30		BCEDMN
C=CCOCCN(C)C(C)(C)C(N)=O	ZINC000295817183	353815213	/nfs/dbraw/zinc/81/52/13/353815213.db2.gz	XLFDKCCXDLWIEB-UHFFFAOYSA-N	0	1	200.282	0.385	20	30		BCEDMN
CC#CCNC(=O)NCCN1CCCOCC1	ZINC000296587037	353825406	/nfs/dbraw/zinc/82/54/06/353825406.db2.gz	VCKUMVPDLQCZDA-UHFFFAOYSA-N	0	1	239.319	0.031	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000185730225	353829806	/nfs/dbraw/zinc/82/98/06/353829806.db2.gz	VFFAYBGTIUPFIB-UWVGGRQHSA-N	0	1	249.314	0.883	20	30		BCEDMN
C#Cc1ccc(CN2CCOC[C@@H](O)C2)cc1	ZINC000294835756	353790259	/nfs/dbraw/zinc/79/02/59/353790259.db2.gz	QJZJMRWBVHNVGS-AWEZNQCLSA-N	0	1	231.295	0.861	20	30		BCEDMN
C#CCCN1CCN(Cc2cc[nH]n2)CC1	ZINC000294888759	353792515	/nfs/dbraw/zinc/79/25/15/353792515.db2.gz	FYGCMTQTFMWUMY-UHFFFAOYSA-N	0	1	218.304	0.551	20	30		BCEDMN
C#C[C@H](C)NC(=O)CCCCc1cn[nH]n1	ZINC000185355192	353794264	/nfs/dbraw/zinc/79/42/64/353794264.db2.gz	PEAPJFOXPGKKTR-VIFPVBQESA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1cnccc1N(C)C	ZINC000185355239	353794532	/nfs/dbraw/zinc/79/45/32/353794532.db2.gz	FDRZQCLQOVITEF-VIFPVBQESA-N	0	1	217.272	0.899	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C(C)C)CC1	ZINC000053423091	363281526	/nfs/dbraw/zinc/28/15/26/363281526.db2.gz	OYXYJZJEOLKEES-UHFFFAOYSA-N	0	1	225.336	0.315	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@@H](C)C#N)c1nn[nH]n1	ZINC000343725313	353959274	/nfs/dbraw/zinc/95/92/74/353959274.db2.gz	JLQCUNVKDWEQHZ-NKWVEPMBSA-N	0	1	222.252	0.317	20	30		BCEDMN
COCC[N@@H+](C)CCNC(=O)NCCCC#N	ZINC000343810013	354011005	/nfs/dbraw/zinc/01/10/05/354011005.db2.gz	KCAKLPUQZSRIGN-UHFFFAOYSA-N	0	1	242.323	0.168	20	30		BCEDMN
N#CCNC(=O)C[N@H+]1CC[C@@H](C2CC2)C1	ZINC000344019994	354082002	/nfs/dbraw/zinc/08/20/02/354082002.db2.gz	GBMFZBWIXYGLFO-SNVBAGLBSA-N	0	1	207.277	0.358	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(CC)[C@@H](C)C1	ZINC000301018586	363296562	/nfs/dbraw/zinc/29/65/62/363296562.db2.gz	IXEKIYLEKWLANC-WDEREUQCSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](CO)C[C@H]1C	ZINC000344120946	354144160	/nfs/dbraw/zinc/14/41/60/354144160.db2.gz	DHEJTHLSOUCFRH-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
CC[C@]1(C)CCN(CC(=O)NCC#N)C1	ZINC000344210178	354164981	/nfs/dbraw/zinc/16/49/81/354164981.db2.gz	ADZNTDXUAVUYPN-LLVKDONJSA-N	0	1	209.293	0.748	20	30		BCEDMN
C=CCOCCCN1C[C@H](OC)C[C@@H]1C(N)=O	ZINC000344558245	354295987	/nfs/dbraw/zinc/29/59/87/354295987.db2.gz	XWVQPLFLBVXFPH-GHMZBOCLSA-N	0	1	242.319	0.154	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2nnc[nH]2)cc1	ZINC000037921109	181100158	/nfs/dbraw/zinc/10/01/58/181100158.db2.gz	KSXBZIMHYQJDLJ-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)o1	ZINC000368214250	181104933	/nfs/dbraw/zinc/10/49/33/181104933.db2.gz	FBTLWYNPHPBSFT-SKDRFNHKSA-N	0	1	245.282	0.719	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](NC(N)=O)C2)cc1	ZINC000270623422	181106078	/nfs/dbraw/zinc/10/60/78/181106078.db2.gz	KHCNJYXBORRJJP-LBPRGKRZSA-N	0	1	244.298	0.801	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C	ZINC000334631327	354374526	/nfs/dbraw/zinc/37/45/26/354374526.db2.gz	MNVBGUZOVLFGFR-JOYOIKCWSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1ccc(C#N)c(N)n1	ZINC000578026576	366191448	/nfs/dbraw/zinc/19/14/48/366191448.db2.gz	YMKIAMJTTKKOJW-SECBINFHSA-N	0	1	231.303	0.676	20	30		BCEDMN
CCN(CC#N)C(=O)CN(CC)C1CC1	ZINC000349429079	366194372	/nfs/dbraw/zinc/19/43/72/366194372.db2.gz	FKXWYMKEAUBZMX-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
N#Cc1cccnc1NCc1nnc[nH]1	ZINC000037920108	181153258	/nfs/dbraw/zinc/15/32/58/181153258.db2.gz	NZMZDFRHKSTOGY-UHFFFAOYSA-N	0	1	200.205	0.683	20	30		BCEDMN
CC#CCCNC(=O)N1CCN[C@H](C)C1	ZINC000335137992	354788674	/nfs/dbraw/zinc/78/86/74/354788674.db2.gz	JXJJYJOALFEHDC-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)CC1(C)C	ZINC000346898274	355148309	/nfs/dbraw/zinc/14/83/09/355148309.db2.gz	KULFLCNAXMMBFQ-UHFFFAOYSA-N	0	1	226.320	0.742	20	30		BCEDMN
N#Cc1nccnc1N[C@@H]1CCN(C2CC2)C1	ZINC000054378181	181175092	/nfs/dbraw/zinc/17/50/92/181175092.db2.gz	KXPMNZBIAUMRCK-SECBINFHSA-N	0	1	229.287	0.997	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)CC1(C)C	ZINC000347599768	355251825	/nfs/dbraw/zinc/25/18/25/355251825.db2.gz	KLEVGSWPXIOCBQ-UHFFFAOYSA-N	0	1	225.336	0.315	20	30		BCEDMN
C=C[C@@H]1CCCCN1CC(=O)N1CCNC1=O	ZINC000335852566	355596569	/nfs/dbraw/zinc/59/65/69/355596569.db2.gz	RPIHUGALAODULG-SNVBAGLBSA-N	0	1	237.303	0.579	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)Cc1ccccc1O	ZINC000109772306	355858188	/nfs/dbraw/zinc/85/81/88/355858188.db2.gz	BWRFEPHTYAAZDP-LLVKDONJSA-N	0	1	246.310	0.962	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@H](C(=O)OC)C1	ZINC000107822874	355831066	/nfs/dbraw/zinc/83/10/66/355831066.db2.gz	DQNQWOMLQFRTOR-ZJUUUORDSA-N	0	1	240.303	0.172	20	30		BCEDMN
OCC(CO)NCC#Cc1ccc(Cl)cc1	ZINC000583638575	355939506	/nfs/dbraw/zinc/93/95/06/355939506.db2.gz	ANTBEONHHVZEAF-UHFFFAOYSA-N	0	1	239.702	0.634	20	30		BCEDMN
C=CCN(C(=O)[C@H](C)N(C)C)[C@@H](C)COC	ZINC000617579473	356148271	/nfs/dbraw/zinc/14/82/71/356148271.db2.gz	FARWUIDDMMRUTO-QWRGUYRKSA-N	0	1	228.336	0.986	20	30		BCEDMN
C[C@H]1OCC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000330195805	356181327	/nfs/dbraw/zinc/18/13/27/356181327.db2.gz	ZUYBDOPXZASSQF-GMTAPVOTSA-N	0	1	241.335	0.762	20	30		BCEDMN
C=CCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000617618167	356187840	/nfs/dbraw/zinc/18/78/40/356187840.db2.gz	FTJLPZWIPGZWJK-MRVPVSSYSA-N	0	1	220.276	0.917	20	30		BCEDMN
N#CC1(CN2CC[C@]3(CNC(=O)C3)C2)CC1	ZINC000333081190	134086959	/nfs/dbraw/zinc/08/69/59/134086959.db2.gz	XDTANNUGPSBXRL-LBPRGKRZSA-N	0	1	219.288	0.502	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)[C@H]1CCCN1C	ZINC000609619464	356393238	/nfs/dbraw/zinc/39/32/38/356393238.db2.gz	AHVPNCISGHICLR-MWLCHTKSSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=C[C@@H](O)C(=O)Nc1nc(C2CCC2)n[nH]1	ZINC000613498924	363464963	/nfs/dbraw/zinc/46/49/63/363464963.db2.gz	OCDRBOUJOUUCGQ-SSDOTTSWSA-N	0	1	222.248	0.558	20	30		BCEDMN
C=C[C@@H](O)C(=O)Nc1n[nH]c(C2CCC2)n1	ZINC000613498924	363464964	/nfs/dbraw/zinc/46/49/64/363464964.db2.gz	OCDRBOUJOUUCGQ-SSDOTTSWSA-N	0	1	222.248	0.558	20	30		BCEDMN
C[C@H]1CCN(C)CCN1C(=O)CSCC#N	ZINC000336520191	134148986	/nfs/dbraw/zinc/14/89/86/134148986.db2.gz	IYZZMMIMMIQBPP-JTQLQIEISA-N	0	1	241.360	0.796	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](COC(F)F)C1	ZINC000353017007	134158769	/nfs/dbraw/zinc/15/87/69/134158769.db2.gz	AZORTWYWCGXIFS-SECBINFHSA-N	0	1	248.273	0.850	20	30		BCEDMN
CNC(=O)[C@@H](C)CN(C)CC1(C#N)CCC1	ZINC000450464339	202171608	/nfs/dbraw/zinc/17/16/08/202171608.db2.gz	XXEQSJUJQBIOAW-JTQLQIEISA-N	0	1	223.320	0.994	20	30		BCEDMN
N#CCC[C@@H](C#N)CN1CCn2c(n[nH]c2=O)C1	ZINC000354985250	134171353	/nfs/dbraw/zinc/17/13/53/134171353.db2.gz	YNJWJQCMIQNRAA-VIFPVBQESA-N	0	1	246.274	0.243	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCO	ZINC000355443174	134173246	/nfs/dbraw/zinc/17/32/46/134173246.db2.gz	LJXXCVNABUAWQQ-JQWIXIFHSA-N	0	1	241.335	0.353	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1CC#Cc1ccccc1	ZINC000639851092	356855196	/nfs/dbraw/zinc/85/51/96/356855196.db2.gz	YZENPBZMULHEPL-HUUCEWRRSA-N	0	1	245.322	0.856	20	30		BCEDMN
C=CCCN1CCO[C@H](Cn2ccnn2)C1	ZINC000639854825	356858640	/nfs/dbraw/zinc/85/86/40/356858640.db2.gz	JPEXUKXIFZWPCT-NSHDSACASA-N	0	1	222.292	0.555	20	30		BCEDMN
C=CCNC(=O)CN(CCCOC)CCOC	ZINC000054364866	363571007	/nfs/dbraw/zinc/57/10/07/363571007.db2.gz	AYUAAPKWCVVGPC-UHFFFAOYSA-N	0	1	244.335	0.274	20	30		BCEDMN
N#Cc1cnccc1NCCN1CCSCC1	ZINC000399614729	356985749	/nfs/dbraw/zinc/98/57/49/356985749.db2.gz	XKMIBGDOLMKAOY-UHFFFAOYSA-N	0	1	248.355	0.836	20	30		BCEDMN
C[S@](=O)C1(CNCCC#N)CCC1	ZINC000393698488	357293280	/nfs/dbraw/zinc/29/32/80/357293280.db2.gz	SJNGXMWTGPUKNG-ZDUSSCGKSA-N	0	1	200.307	0.791	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCOCC2(CC2)C1	ZINC000360088635	134198668	/nfs/dbraw/zinc/19/86/68/134198668.db2.gz	MVKMFTSBLDQDIZ-NSHDSACASA-N	0	1	238.331	0.790	20	30		BCEDMN
N#CC1(CNC[C@H](O)Cn2cccn2)CC1	ZINC000582661142	357356926	/nfs/dbraw/zinc/35/69/26/357356926.db2.gz	QXYLADNMBCMKED-JTQLQIEISA-N	0	1	220.276	0.137	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000360214214	134199435	/nfs/dbraw/zinc/19/94/35/134199435.db2.gz	ADMAUGNNDKZIOM-WDEREUQCSA-N	0	1	246.376	0.965	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000583154133	357496184	/nfs/dbraw/zinc/49/61/84/357496184.db2.gz	UQRRUQLIVMMLFB-RYUDHWBXSA-N	0	1	240.347	0.629	20	30		BCEDMN
C[C@H](CC#N)N(C)CC[C@@H]1CCNC1=O	ZINC000395868353	357458566	/nfs/dbraw/zinc/45/85/66/357458566.db2.gz	WUDCTMSGOCTRAI-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@@H]1COCCN1CCN1CCC(C#N)CC1	ZINC000191465793	357771948	/nfs/dbraw/zinc/77/19/48/357771948.db2.gz	HISLHUQCSKUQNE-GFCCVEGCSA-N	0	1	237.347	0.943	20	30		BCEDMN
C=CCN1CC[C@H](N2CCOCC[C@@H]2C)C1=O	ZINC000369195771	134221911	/nfs/dbraw/zinc/22/19/11/134221911.db2.gz	VVNPUZGUUOFBNU-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)CO	ZINC000118942182	134223581	/nfs/dbraw/zinc/22/35/81/134223581.db2.gz	YESCZQKARYYBHL-JQWIXIFHSA-N	0	1	241.335	0.353	20	30		BCEDMN
C[C@H](NC(=O)c1ccnc(C#N)c1)c1nnc[nH]1	ZINC000193401299	357882124	/nfs/dbraw/zinc/88/21/24/357882124.db2.gz	HSANHZBKXUYCOS-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
C[C@@H](C(N)=O)N1CCC(CCC#N)CC1	ZINC000399378350	357905682	/nfs/dbraw/zinc/90/56/82/357905682.db2.gz	YQVBFYSMFIZOAN-VIFPVBQESA-N	0	1	209.293	0.876	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000378487627	134246066	/nfs/dbraw/zinc/24/60/66/134246066.db2.gz	IQZNBEKQFVKKTQ-BDAKNGLRSA-N	0	1	220.276	0.943	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CC[C@H](CO)C1	ZINC000051887342	358090154	/nfs/dbraw/zinc/09/01/54/358090154.db2.gz	GEMQRPLVIVWARJ-LBPRGKRZSA-N	0	1	240.347	0.725	20	30		BCEDMN
Cn1nccc1N1CCC[C@H](NCCC#N)C1	ZINC000584835074	358197273	/nfs/dbraw/zinc/19/72/73/358197273.db2.gz	ORRNRWOLZDXTDD-NSHDSACASA-N	0	1	233.319	0.892	20	30		BCEDMN
Cn1nccc1N1CCC[C@@H](NCCC#N)C1	ZINC000584835067	358197473	/nfs/dbraw/zinc/19/74/73/358197473.db2.gz	ORRNRWOLZDXTDD-LLVKDONJSA-N	0	1	233.319	0.892	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](O)C(C)(C)C1	ZINC000310258846	358443566	/nfs/dbraw/zinc/44/35/66/358443566.db2.gz	QAPDCZLEPVEGOB-GHMZBOCLSA-N	0	1	240.347	0.770	20	30		BCEDMN
N#Cc1nccnc1N1CCc2cn[nH]c2C1	ZINC000611006621	358429137	/nfs/dbraw/zinc/42/91/37/358429137.db2.gz	LAQYJWUVBFKSAP-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
CCOC(=O)CN(CCOC)C(=O)C(C)C#N	ZINC000044826099	358556572	/nfs/dbraw/zinc/55/65/72/358556572.db2.gz	SESKYEJQSHJLIQ-VIFPVBQESA-N	0	1	242.275	0.184	20	30		BCEDMN
CCOC(=O)CN(CCOC)C(=O)C(C)C#N	ZINC000044826100	358556906	/nfs/dbraw/zinc/55/69/06/358556906.db2.gz	SESKYEJQSHJLIQ-SECBINFHSA-N	0	1	242.275	0.184	20	30		BCEDMN
N#CCN1CC[C@H](CN2CCOCC2)C1	ZINC000129178239	358583748	/nfs/dbraw/zinc/58/37/48/358583748.db2.gz	XCBWCGYENVOHEG-NSHDSACASA-N	0	1	209.293	0.164	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000130424259	358625106	/nfs/dbraw/zinc/62/51/06/358625106.db2.gz	PXLJAUNATBSQAA-AWEZNQCLSA-N	0	1	235.375	0.722	20	30		BCEDMN
CCOC(=O)[C@H]1CCCN(CC#CCOC)C1	ZINC000611080196	358597471	/nfs/dbraw/zinc/59/74/71/358597471.db2.gz	CLXKOQVPRZRFEV-LBPRGKRZSA-N	0	1	239.315	0.911	20	30		BCEDMN
CCN(CCCC(=O)NC(N)=O)C[C@@H](C)C#N	ZINC000049442051	358689472	/nfs/dbraw/zinc/68/94/72/358689472.db2.gz	AOQYAIUBVLUBPN-VIFPVBQESA-N	0	1	240.307	0.443	20	30		BCEDMN
CC#CCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000359975194	358709716	/nfs/dbraw/zinc/70/97/16/358709716.db2.gz	QAKXVKHKBRNMEV-SNVBAGLBSA-N	0	1	248.286	0.335	20	30		BCEDMN
C[C@H](O)CN(CCO)Cc1ccc(C#N)s1	ZINC000578245681	366469231	/nfs/dbraw/zinc/46/92/31/366469231.db2.gz	VZAAFGVLNIXWMK-VIFPVBQESA-N	0	1	240.328	0.795	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@](C)(O)C1	ZINC000177970561	134302382	/nfs/dbraw/zinc/30/23/82/134302382.db2.gz	OSTPBWABGAPWBN-LBPRGKRZSA-N	0	1	239.319	0.205	20	30		BCEDMN
N#CCN1CCC[C@@H](CN2CCOCC2)C1	ZINC000069804782	359034029	/nfs/dbraw/zinc/03/40/29/359034029.db2.gz	MJJQSAHISMRORJ-GFCCVEGCSA-N	0	1	223.320	0.554	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@H]2CCCO2)CC1	ZINC000072252737	359085912	/nfs/dbraw/zinc/08/59/12/359085912.db2.gz	VDEZDZSFZFIYFR-GFCCVEGCSA-N	0	1	238.331	0.886	20	30		BCEDMN
Cc1nccn1CCN1CCN(CCC#N)CC1	ZINC000611225070	359142121	/nfs/dbraw/zinc/14/21/21/359142121.db2.gz	XCRRSFZODWEGFS-UHFFFAOYSA-N	0	1	247.346	0.723	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@@H](COC)C1	ZINC000247680032	359239932	/nfs/dbraw/zinc/23/99/32/359239932.db2.gz	ZORQUELZKPIJKX-NWDGAFQWSA-N	0	1	229.320	0.661	20	30		BCEDMN
CN(CCC(=O)N(C)CCC#N)Cc1cn[nH]c1	ZINC000611302789	359306075	/nfs/dbraw/zinc/30/60/75/359306075.db2.gz	NMCTVFUYYVPWKK-UHFFFAOYSA-N	0	1	249.318	0.604	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(C[C@@H](C)CO)CC1	ZINC000611431795	359364000	/nfs/dbraw/zinc/36/40/00/359364000.db2.gz	BCQFMVVOWOQXCZ-OLZOCXBDSA-N	0	1	239.363	0.781	20	30		BCEDMN
CC(C)(CO)N1CCN(CC2(C#N)CC2)CC1	ZINC000611430690	359369617	/nfs/dbraw/zinc/36/96/17/359369617.db2.gz	CLBUYQVFFLMKBX-UHFFFAOYSA-N	0	1	237.347	0.679	20	30		BCEDMN
CC(=O)N[C@@H]1CCN(CC2(CC#N)CC2)C1	ZINC000228261146	359603631	/nfs/dbraw/zinc/60/36/31/359603631.db2.gz	YBNHWGOMHPXGOP-LLVKDONJSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000612262650	359758718	/nfs/dbraw/zinc/75/87/18/359758718.db2.gz	CCVLNYABAXUSFP-YUMQZZPRSA-N	0	1	220.276	0.915	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@@H](O)C1	ZINC000351777002	366541439	/nfs/dbraw/zinc/54/14/39/366541439.db2.gz	DXZBNFFYTZXWIO-NEPJUHHUSA-N	0	1	238.331	0.500	20	30		BCEDMN
N#CCC[C@@H](C#N)CNC[C@H]1CC[C@@H](CO)O1	ZINC000578507625	366583582	/nfs/dbraw/zinc/58/35/82/366583582.db2.gz	YESBJWBWBDZBDW-TUAOUCFPSA-N	0	1	237.303	0.559	20	30		BCEDMN
CN(CCC#N)C(=O)CCN1CC[C@H](F)C1	ZINC000451185226	202372133	/nfs/dbraw/zinc/37/21/33/202372133.db2.gz	AMBQVIJAHDSGSL-JTQLQIEISA-N	0	1	227.283	0.792	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000613966557	363693098	/nfs/dbraw/zinc/69/30/98/363693098.db2.gz	BPBRXHNXQGEBGI-YPMHNXCESA-N	0	1	240.347	0.722	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000612601215	359909630	/nfs/dbraw/zinc/90/96/30/359909630.db2.gz	OLCGZGXCIHAPOS-QPUJVOFHSA-N	0	1	237.303	0.702	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N(C)CCN1CCCC1	ZINC000088485865	359958414	/nfs/dbraw/zinc/95/84/14/359958414.db2.gz	DMUDDHDOIDXBDO-JTQLQIEISA-N	0	1	245.348	0.256	20	30		BCEDMN
C#CCN(CC#C)CC1(C(=O)OC)CC1	ZINC000491794198	259510735	/nfs/dbraw/zinc/51/07/35/259510735.db2.gz	OZODRTXTPCWMED-UHFFFAOYSA-N	0	1	205.257	0.508	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000613121076	360380441	/nfs/dbraw/zinc/38/04/41/360380441.db2.gz	BBJHNQRFHHRFOH-HTQZYQBOSA-N	0	1	238.291	0.652	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000613122117	360382497	/nfs/dbraw/zinc/38/24/97/360382497.db2.gz	FYXQDNKBCTZJRQ-CPCISQLKSA-N	0	1	238.291	0.481	20	30		BCEDMN
C=CCCCNC(=O)Cc1n[nH]c(C)n1	ZINC000614210611	363745183	/nfs/dbraw/zinc/74/51/83/363745183.db2.gz	SUSWOGQPXDPBAR-UHFFFAOYSA-N	0	1	208.265	0.738	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2C[C@@H](CO)C2)nn1	ZINC000631199958	360777925	/nfs/dbraw/zinc/77/79/25/360777925.db2.gz	SDXJINHCISWRTC-PHIMTYICSA-N	0	1	236.319	0.715	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NCCN1CC[C@@H](O)C1	ZINC000629172255	360920361	/nfs/dbraw/zinc/92/03/61/360920361.db2.gz	WROWAOJCBWSZRL-YPMHNXCESA-N	0	1	240.347	0.772	20	30		BCEDMN
CN(C[C@H](O)Cn1cccn1)CC(C)(C)C#N	ZINC000433309354	201180033	/nfs/dbraw/zinc/18/00/33/201180033.db2.gz	YWIBTXHFBJTQFA-NSHDSACASA-N	0	1	236.319	0.726	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@@H](O)C(C)C)C1=O	ZINC000433196938	201168900	/nfs/dbraw/zinc/16/89/00/201168900.db2.gz	OCMRTXYQORKAHW-NWDGAFQWSA-N	0	1	240.347	0.722	20	30		BCEDMN
COCC#CCN[C@H](CO)c1ccccc1	ZINC000309976430	491159171	/nfs/dbraw/zinc/15/91/71/491159171.db2.gz	TWDDVNNHLMPZFN-CYBMUJFWSA-N	0	1	219.284	0.959	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCC1(CC#N)CC1	ZINC000435231660	201256696	/nfs/dbraw/zinc/25/66/96/201256696.db2.gz	YELYLZTUGHOCTQ-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)CCN(C)C1CC1	ZINC000435430153	201270936	/nfs/dbraw/zinc/27/09/36/201270936.db2.gz	YTFUDGUUDIWFRR-UHFFFAOYSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCC[C@@H]1CN(C)C	ZINC000435434314	201271622	/nfs/dbraw/zinc/27/16/22/201271622.db2.gz	RSPDMUKIMUGZPS-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)NCc1nnc[nH]1	ZINC000435684853	201282476	/nfs/dbraw/zinc/28/24/76/201282476.db2.gz	WIFSNOSQZFMWAI-UHFFFAOYSA-N	0	1	231.215	0.508	20	30		BCEDMN
CC1(C)CN(CC2(C#N)CC2)CCN1CCO	ZINC000614920659	364092884	/nfs/dbraw/zinc/09/28/84/364092884.db2.gz	MNVZTPMKXCSLSA-UHFFFAOYSA-N	0	1	237.347	0.679	20	30		BCEDMN
C=CC(C)(C)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000622116432	370720197	/nfs/dbraw/zinc/72/01/97/370720197.db2.gz	ZEPALVYVWWMBIO-UHFFFAOYSA-N	0	1	225.248	0.946	20	30		BCEDMN
C=CCN1CC[C@H](n2ccnc2CN)C1=O	ZINC000630583508	364286531	/nfs/dbraw/zinc/28/65/31/364286531.db2.gz	GYRVDRQTZGAGTO-VIFPVBQESA-N	0	1	220.276	0.301	20	30		BCEDMN
C=CCNC(=O)CNCc1ccn(C)c1	ZINC000134228084	364394083	/nfs/dbraw/zinc/39/40/83/364394083.db2.gz	UJMYIIMJVLARQG-UHFFFAOYSA-N	0	1	207.277	0.417	20	30		BCEDMN
C[C@H](C#N)C(=O)NCCN1CC=CCC1	ZINC000357645353	366861910	/nfs/dbraw/zinc/86/19/10/366861910.db2.gz	FGALDFUGOTVHPU-SNVBAGLBSA-N	0	1	207.277	0.524	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CCC1)C(C)(C)CO	ZINC000615224668	364644813	/nfs/dbraw/zinc/64/48/13/364644813.db2.gz	CVCATHSWKZBQDA-UHFFFAOYSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=C1CCN(C(=O)[C@H](NC)c2cnn(C)c2)CC1	ZINC000573692937	364894724	/nfs/dbraw/zinc/89/47/24/364894724.db2.gz	KSFPQUGVJVHYAJ-GFCCVEGCSA-N	0	1	248.330	0.859	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NCC#N)CCS1	ZINC000192179587	365279603	/nfs/dbraw/zinc/27/96/03/365279603.db2.gz	OGKBIZOHYKGXOY-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
N#CCCOCCN1CCC[C@@H]2C(=O)NC[C@@H]21	ZINC000339154724	365451463	/nfs/dbraw/zinc/45/14/63/365451463.db2.gz	LHDUCDVWFZRSPH-QWRGUYRKSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H](C)CC(=O)OCC	ZINC000182664781	366929422	/nfs/dbraw/zinc/92/94/22/366929422.db2.gz	WAEHAYJGFCTCRP-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C[C@H](C(=O)NCCCC#N)N1CC(C)C1	ZINC000579857702	367045137	/nfs/dbraw/zinc/04/51/37/367045137.db2.gz	FJOUALVOYSNASF-SNVBAGLBSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC(F)(F)CNS(=O)(=O)CC1(C#N)CC1	ZINC000579863920	367057862	/nfs/dbraw/zinc/05/78/62/367057862.db2.gz	DNWWHNKJJJUGHC-UHFFFAOYSA-N	0	1	238.259	0.865	20	30		BCEDMN
CC#CCNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000580784410	367166811	/nfs/dbraw/zinc/16/68/11/367166811.db2.gz	VLLNEJXNVALGHP-SECBINFHSA-N	0	1	205.261	0.728	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCCCCF)c1=O	ZINC000581072252	367253935	/nfs/dbraw/zinc/25/39/35/367253935.db2.gz	VEZVNLYFIQLCMZ-UHFFFAOYSA-N	0	1	225.223	0.548	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1C(=O)N[C@H](C)C1=O	ZINC000581319019	367345820	/nfs/dbraw/zinc/34/58/20/367345820.db2.gz	ONVKNZHRYMGVPO-BDAKNGLRSA-N	0	1	238.291	0.209	20	30		BCEDMN
C[C@H](O)CN(Cc1ccnc(C#N)c1)[C@@H](C)CO	ZINC000615465986	367984450	/nfs/dbraw/zinc/98/44/50/367984450.db2.gz	NALVIJJQKSPDSW-QWRGUYRKSA-N	0	1	249.314	0.517	20	30		BCEDMN
C[C@H](CO)N(Cc1ccnc(C#N)c1)C[C@H](C)O	ZINC000615465985	367984957	/nfs/dbraw/zinc/98/49/57/367984957.db2.gz	NALVIJJQKSPDSW-MNOVXSKESA-N	0	1	249.314	0.517	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1	ZINC000615593861	368125268	/nfs/dbraw/zinc/12/52/68/368125268.db2.gz	GFMWUMGPZGPUON-MWLCHTKSSA-N	0	1	225.267	0.545	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1	ZINC000615823628	368456896	/nfs/dbraw/zinc/45/68/96/368456896.db2.gz	RWUCEDKDBUPXSY-ZYHUDNBSSA-N	0	1	239.294	0.935	20	30		BCEDMN
CC[C@H](C)N(CC(=O)OC)C(=O)C(C)C#N	ZINC000456062009	202903084	/nfs/dbraw/zinc/90/30/84/202903084.db2.gz	GNRPPLZJZSCPTJ-BDAKNGLRSA-N	0	1	226.276	0.946	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CCO[C@H](C#N)C1	ZINC000259869791	370949263	/nfs/dbraw/zinc/94/92/63/370949263.db2.gz	JGMQLAHRVWTDHK-GHMZBOCLSA-N	0	1	237.303	0.222	20	30		BCEDMN
C=CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO	ZINC000457410264	203057545	/nfs/dbraw/zinc/05/75/45/203057545.db2.gz	OHDYRAAWJGXCIT-LLVKDONJSA-N	0	1	241.335	0.318	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)[C@H]1CCCN1C	ZINC000259754954	370939048	/nfs/dbraw/zinc/93/90/48/370939048.db2.gz	FOTFBSIAAXKESG-VHSXEESVSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(CC)C[C@@H]1CC	ZINC000615961107	368794875	/nfs/dbraw/zinc/79/48/75/368794875.db2.gz	PZEZGMWJADPHOZ-WDEREUQCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCO[C@H](C(N)=O)C1	ZINC000618887474	369234198	/nfs/dbraw/zinc/23/41/98/369234198.db2.gz	ZWKLUSCDKNMZGC-UWVGGRQHSA-N	0	1	225.292	0.112	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)C(C)(C)c1cnc[nH]1	ZINC000618935451	369243771	/nfs/dbraw/zinc/24/37/71/369243771.db2.gz	SIXQOCJUDWMGFU-QMMMGPOBSA-N	0	1	220.276	0.963	20	30		BCEDMN
Cc1cc(CNC(=O)NCC2(C#N)CC2)n[nH]1	ZINC000619529406	369463350	/nfs/dbraw/zinc/46/33/50/369463350.db2.gz	ZCZRYZPIXLZYNK-UHFFFAOYSA-N	0	1	233.275	0.821	20	30		BCEDMN
CN(CCC#N)C(=O)[C@H]1CCCCN1C	ZINC000259934454	370956092	/nfs/dbraw/zinc/95/60/92/370956092.db2.gz	KMJFVFCBBYBOLO-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCc2cn[nH]c2C1	ZINC000619719828	369549925	/nfs/dbraw/zinc/54/99/25/369549925.db2.gz	GDQGYZHENJAZOZ-SNVBAGLBSA-N	0	1	221.260	0.495	20	30		BCEDMN
CN1C[C@H](NCc2cccc(C#N)n2)CC1=O	ZINC000602526366	369805801	/nfs/dbraw/zinc/80/58/01/369805801.db2.gz	JXRMTKXDMWPPML-LLVKDONJSA-N	0	1	230.271	0.274	20	30		BCEDMN
N#Cc1cccc(CN[C@@H]2CCOC2)n1	ZINC000602571783	369816517	/nfs/dbraw/zinc/81/65/17/369816517.db2.gz	OBXJTTNIOMYJPF-LLVKDONJSA-N	0	1	203.245	0.832	20	30		BCEDMN
N#Cc1cccc(CNC2(CO)CC2)n1	ZINC000602596010	369823531	/nfs/dbraw/zinc/82/35/31/369823531.db2.gz	ZZWJSOVONQWKTH-UHFFFAOYSA-N	0	1	203.245	0.568	20	30		BCEDMN
N#Cc1cccc(CNC2(CC(N)=O)CCC2)n1	ZINC000602614700	369827379	/nfs/dbraw/zinc/82/73/79/369827379.db2.gz	GDFZUHXXFWTDIN-UHFFFAOYSA-N	0	1	244.298	0.841	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@@H]1NCc1cccc(C#N)n1	ZINC000602655430	369835265	/nfs/dbraw/zinc/83/52/65/369835265.db2.gz	KRTGOKXWNTZWIT-JOYOIKCWSA-N	0	1	244.298	0.567	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](CO)C2)n1	ZINC000602456072	369789915	/nfs/dbraw/zinc/78/99/15/369789915.db2.gz	ZPRGQMOLTVMVAB-SNVBAGLBSA-N	0	1	217.272	0.767	20	30		BCEDMN
CO[C@](C)(CO)CNCc1cccc(C#N)n1	ZINC000602707017	369844769	/nfs/dbraw/zinc/84/47/69/369844769.db2.gz	SDOHLJMZCZAERV-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1	ZINC000602719781	369847356	/nfs/dbraw/zinc/84/73/56/369847356.db2.gz	SXDOKWZAWZCEAL-WVSHTKLVSA-N	0	1	245.282	0.994	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1Cc1ccnc(C#N)c1	ZINC000602895617	369861270	/nfs/dbraw/zinc/86/12/70/369861270.db2.gz	BEEMCKXLQAALTJ-QWHCGFSZSA-N	0	1	247.298	0.271	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1Cc1ccccc1C#N	ZINC000602898056	369861331	/nfs/dbraw/zinc/86/13/31/369861331.db2.gz	KUKFJSXCHQIXCG-KBPBESRZSA-N	0	1	246.310	0.876	20	30		BCEDMN
CCNCc1cn(Cc2ccnc(C#N)c2)nn1	ZINC000603223590	369899649	/nfs/dbraw/zinc/89/96/49/369899649.db2.gz	SMUGGOJBIHSUCU-UHFFFAOYSA-N	0	1	242.286	0.703	20	30		BCEDMN
CN[C@H](C)c1cn(Cc2nc(C#N)cs2)nn1	ZINC000603249237	369903129	/nfs/dbraw/zinc/90/31/29/369903129.db2.gz	PNEQKVFBTGSMLY-SSDOTTSWSA-N	0	1	248.315	0.935	20	30		BCEDMN
C=C[C@@H]1CCCCN1CCS(=O)(=O)NC	ZINC000621288062	370215709	/nfs/dbraw/zinc/21/57/09/370215709.db2.gz	LHFKVVMYDPUUOH-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=C[C@H]1CCCCN1CCS(=O)(=O)NC	ZINC000621288061	370216198	/nfs/dbraw/zinc/21/61/98/370216198.db2.gz	LHFKVVMYDPUUOH-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C[C@@H](O)CN(CCO)Cc1ccnc(C#N)c1	ZINC000310136302	370305397	/nfs/dbraw/zinc/30/53/97/370305397.db2.gz	ZKWMSUNCXPMKTR-SNVBAGLBSA-N	0	1	235.287	0.128	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCCCc1cn[nH]c1C	ZINC000621819440	370548432	/nfs/dbraw/zinc/54/84/32/370548432.db2.gz	LOXATNJUSGEHKN-GFCCVEGCSA-N	0	1	237.303	0.704	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCC#N	ZINC000568530605	326363398	/nfs/dbraw/zinc/36/33/98/326363398.db2.gz	WZEHVZKOQVWGBF-VIFPVBQESA-N	0	1	220.276	0.960	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC#N	ZINC000568530604	326363783	/nfs/dbraw/zinc/36/37/83/326363783.db2.gz	WZEHVZKOQVWGBF-SECBINFHSA-N	0	1	220.276	0.960	20	30		BCEDMN
CCc1nc(CNC(=O)[C@@H](C#N)CC)n[nH]1	ZINC000392664966	371432528	/nfs/dbraw/zinc/43/25/28/371432528.db2.gz	XBCBWDABXCEUSK-SSDOTTSWSA-N	0	1	221.264	0.533	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCc2nc[nH]c2C1	ZINC000627373359	371592031	/nfs/dbraw/zinc/59/20/31/371592031.db2.gz	OROSMXUEAFWZSH-NSHDSACASA-N	0	1	221.260	0.231	20	30		BCEDMN
Cn1cc(CNCc2cc(C#N)n(C)c2)cn1	ZINC000232314941	372123147	/nfs/dbraw/zinc/12/31/47/372123147.db2.gz	YCKWGQXMZXRFPH-UHFFFAOYSA-N	0	1	229.287	0.920	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CCc1c[nH]nn1	ZINC000632295819	372868076	/nfs/dbraw/zinc/86/80/76/372868076.db2.gz	WKPJWYLPXJFKJD-VIFPVBQESA-N	0	1	238.291	0.038	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CCc1cnn[nH]1	ZINC000632295819	372868084	/nfs/dbraw/zinc/86/80/84/372868084.db2.gz	WKPJWYLPXJFKJD-VIFPVBQESA-N	0	1	238.291	0.038	20	30		BCEDMN
C=CCCCS(=O)(=O)NCC1(N(C)C)CC1	ZINC000632488599	372968114	/nfs/dbraw/zinc/96/81/14/372968114.db2.gz	CYCUCCKFHYJVRX-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
C=C[C@H]1CCCCN1C(=O)CCc1nn[nH]n1	ZINC000632781692	373139849	/nfs/dbraw/zinc/13/98/49/373139849.db2.gz	VQRZESXQSDGUCY-VIFPVBQESA-N	0	1	235.291	0.699	20	30		BCEDMN
CC1(C#N)CCN(CCn2cncn2)CC1	ZINC000380848756	373571161	/nfs/dbraw/zinc/57/11/61/373571161.db2.gz	XIASCSHAKQDDLZ-UHFFFAOYSA-N	0	1	219.292	0.904	20	30		BCEDMN
C=C1CC(C)(C(=O)NCCN2CC[C@@H](O)C2)C1	ZINC000633689405	373687861	/nfs/dbraw/zinc/68/78/61/373687861.db2.gz	MSTSTYNMHKWQDX-LLVKDONJSA-N	0	1	238.331	0.526	20	30		BCEDMN
CNC(=O)[C@H]1CCC[C@H]1NCC1(C#N)CC1	ZINC000381335731	374112607	/nfs/dbraw/zinc/11/26/07/374112607.db2.gz	VPTSXJQUDWZCFA-VHSXEESVSA-N	0	1	221.304	0.794	20	30		BCEDMN
C=CCNC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000435821518	206067000	/nfs/dbraw/zinc/06/70/00/206067000.db2.gz	FKSDULFUAYXYLA-UHFFFAOYSA-N	0	1	231.259	0.726	20	30		BCEDMN
CCOC(=O)COCCN[C@@H]1CCC[C@@H]1C#N	ZINC000459492118	206131824	/nfs/dbraw/zinc/13/18/24/206131824.db2.gz	ZSOGHSSXYBZQCN-GHMZBOCLSA-N	0	1	240.303	0.848	20	30		BCEDMN
CN(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000134959779	383850610	/nfs/dbraw/zinc/85/06/10/383850610.db2.gz	NIIXIYGBFLEFKY-UHFFFAOYSA-N	0	1	218.260	0.272	20	30		BCEDMN
Cc1nc([C@H](C)Nc2cnc(C#N)cn2)n[nH]1	ZINC000343995775	383903614	/nfs/dbraw/zinc/90/36/14/383903614.db2.gz	ZWZUEFLRIZMAND-LURJTMIESA-N	0	1	229.247	0.948	20	30		BCEDMN
Cc1ccc(CNCCn2cnc(C#N)n2)o1	ZINC000285560691	383995918	/nfs/dbraw/zinc/99/59/18/383995918.db2.gz	RMPWCKBCBKBVHJ-UHFFFAOYSA-N	0	1	231.259	0.841	20	30		BCEDMN
CN(Cc1cc(C#N)n(C)c1)[C@@H]1COC[C@H]1O	ZINC000289186187	384050168	/nfs/dbraw/zinc/05/01/68/384050168.db2.gz	ANTFQMOQTUXTFW-VXGBXAGGSA-N	0	1	235.287	0.088	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2ccc(C#N)o2)n1	ZINC000340039500	384081396	/nfs/dbraw/zinc/08/13/96/384081396.db2.gz	WYKVPEIFTSHBRJ-UHFFFAOYSA-N	0	1	245.242	0.550	20	30		BCEDMN
C#CCN(CC)C(=O)NCc1cn[nH]c1C	ZINC000299130352	384119327	/nfs/dbraw/zinc/11/93/27/384119327.db2.gz	HYYSVQZWEJBJJS-UHFFFAOYSA-N	0	1	220.276	0.883	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCc1nc2ccc(F)cc2[nH]1	ZINC000646884616	384153744	/nfs/dbraw/zinc/15/37/44/384153744.db2.gz	KFROGLHAWGMEGB-SNVBAGLBSA-N	0	1	249.245	0.865	20	30		BCEDMN
CC[C@H](CO)NCc1nc(C#N)cs1	ZINC000336653127	384245443	/nfs/dbraw/zinc/24/54/43/384245443.db2.gz	LHTRBGWMPFSGTJ-SSDOTTSWSA-N	0	1	211.290	0.875	20	30		BCEDMN
C[C@H](CCO)NCc1nc(C#N)cs1	ZINC000336677084	384251574	/nfs/dbraw/zinc/25/15/74/384251574.db2.gz	CXDBZDJJYWZLJW-SSDOTTSWSA-N	0	1	211.290	0.875	20	30		BCEDMN
C#CCCN1CCN(Cc2cc(C)ncn2)CC1	ZINC000293209579	533054487	/nfs/dbraw/zinc/05/44/87/533054487.db2.gz	PHQHVYACENHHCH-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
C[C@H](C#N)C(=O)N(C)[C@H]1CN2CCC1CC2	ZINC000334192763	384382302	/nfs/dbraw/zinc/38/23/02/384382302.db2.gz	JPNYMGVUBZZTBA-KOLCDFICSA-N	0	1	221.304	0.699	20	30		BCEDMN
COc1cccc([C@H](C)NCC(=O)NCC#N)c1	ZINC000148346469	384463868	/nfs/dbraw/zinc/46/38/68/384463868.db2.gz	GGEVXGNEZFQZKE-JTQLQIEISA-N	0	1	247.298	0.986	20	30		BCEDMN
CC(C)(C#N)CC(=O)NC1(c2nn[nH]n2)CC1	ZINC000356760792	384464482	/nfs/dbraw/zinc/46/44/82/384464482.db2.gz	FEOCPVIZHWTLLR-UHFFFAOYSA-N	0	1	234.263	0.245	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000556740546	384467962	/nfs/dbraw/zinc/46/79/62/384467962.db2.gz	AYPPFABAIPZYOD-MXWKQRLJSA-N	0	1	238.335	0.880	20	30		BCEDMN
C#CCCNC(=O)[C@@H]1CN(C(C)C)CCO1	ZINC000367481314	533065163	/nfs/dbraw/zinc/06/51/63/533065163.db2.gz	SQBLCNDUOWZXLY-NSHDSACASA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCCS(=O)(=O)N1CCCN(CC)CC1	ZINC000377299974	533074105	/nfs/dbraw/zinc/07/41/05/533074105.db2.gz	KOMUZGUPLDNKGZ-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
CNS(=O)(=O)CCCN1CCC(C#N)CC1	ZINC000111209646	384576413	/nfs/dbraw/zinc/57/64/13/384576413.db2.gz	PXFCEWMQWJYLRK-UHFFFAOYSA-N	0	1	245.348	0.161	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(CCO)C(C)C	ZINC000176363265	384612403	/nfs/dbraw/zinc/61/24/03/384612403.db2.gz	ULOZJHQQTJSKCP-UHFFFAOYSA-N	0	1	241.335	0.451	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)COc1ccccc1C	ZINC000491778528	384673945	/nfs/dbraw/zinc/67/39/45/384673945.db2.gz	YJMMHRVKPQZGEN-STQMWFEESA-N	0	1	249.310	0.318	20	30		BCEDMN
CN1C(=O)N[C@@H]2C[N@H+](CCCCC#N)CC[C@@H]21	ZINC000408043836	384733140	/nfs/dbraw/zinc/73/31/40/384733140.db2.gz	RDAQZWZJEUGGIR-MNOVXSKESA-N	0	1	236.319	0.778	20	30		BCEDMN
N#CC1(NC(=O)Cc2nnc[nH]2)CCCC1	ZINC000601038977	384830708	/nfs/dbraw/zinc/83/07/08/384830708.db2.gz	AWASXLNUAQEESL-UHFFFAOYSA-N	0	1	219.248	0.300	20	30		BCEDMN
CC[C@H](O)CNCc1nc(C#N)cs1	ZINC000308597068	384833816	/nfs/dbraw/zinc/83/38/16/384833816.db2.gz	MZMAGFTXXQBTMC-QMMMGPOBSA-N	0	1	211.290	0.875	20	30		BCEDMN
N#Cc1csc(CNCCCCO)n1	ZINC000308537081	384789529	/nfs/dbraw/zinc/78/95/29/384789529.db2.gz	GHHKYFLRLGBWJG-UHFFFAOYSA-N	0	1	211.290	0.877	20	30		BCEDMN
C=CCCS(=O)(=O)N1CC[C@H]2CN(C)C[C@@H]21	ZINC000644298928	384810215	/nfs/dbraw/zinc/81/02/15/384810215.db2.gz	IBOMUXZOTMLFDY-QWRGUYRKSA-N	0	1	244.360	0.528	20	30		BCEDMN
C=CCOCCNCc1cncnc1OC	ZINC000647200070	384879403	/nfs/dbraw/zinc/87/94/03/384879403.db2.gz	HEOLPHIWNWKQKW-UHFFFAOYSA-N	0	1	223.276	0.777	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1	ZINC000339753762	384883781	/nfs/dbraw/zinc/88/37/81/384883781.db2.gz	VAYQSZZMENVWSI-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CO)CC1	ZINC000339753755	384884778	/nfs/dbraw/zinc/88/47/78/384884778.db2.gz	VAYQSZZMENVWSI-NEPJUHHUSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#C[C@H](NC(=O)NCc1n[nH]c(CC)n1)C(C)C	ZINC000297593413	384857355	/nfs/dbraw/zinc/85/73/55/384857355.db2.gz	DDVBEVDXLPWCBY-VIFPVBQESA-N	0	1	249.318	0.824	20	30		BCEDMN
Cn1ncc(C(=O)NCC[N@@H+](C)C2CC2)c1C#N	ZINC000355137067	384946355	/nfs/dbraw/zinc/94/63/55/384946355.db2.gz	SSGLFFLSUAROEQ-UHFFFAOYSA-N	0	1	247.302	0.116	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000646910286	385053762	/nfs/dbraw/zinc/05/37/62/385053762.db2.gz	PAHDQQDRWWBRMM-BDAKNGLRSA-N	0	1	221.260	0.450	20	30		BCEDMN
N#Cc1csc(CN[C@H]2C[C@H](C(N)=O)C2)n1	ZINC000599002438	385084007	/nfs/dbraw/zinc/08/40/07/385084007.db2.gz	ADDWJHSYILEHFS-LJGSYFOKSA-N	0	1	236.300	0.368	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000646910289	385055451	/nfs/dbraw/zinc/05/54/51/385055451.db2.gz	PAHDQQDRWWBRMM-RKDXNWHRSA-N	0	1	221.260	0.450	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000646912306	385064012	/nfs/dbraw/zinc/06/40/12/385064012.db2.gz	QZUFUDFNGNAOSJ-XCBNKYQSSA-N	0	1	223.276	0.312	20	30		BCEDMN
C=C(C)C(C)(C)C(=O)NCc1nn[nH]n1	ZINC000644634656	385036796	/nfs/dbraw/zinc/03/67/96/385036796.db2.gz	WDTQJHYSKKWHMT-UHFFFAOYSA-N	0	1	209.253	0.418	20	30		BCEDMN
C=CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000334144392	385041470	/nfs/dbraw/zinc/04/14/70/385041470.db2.gz	XRQSIPAJWGYSIU-UWVGGRQHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CCCO)CC1	ZINC000491209470	385139705	/nfs/dbraw/zinc/13/97/05/385139705.db2.gz	HQSZXWLHSSHILD-UHFFFAOYSA-N	0	1	238.331	0.172	20	30		BCEDMN
C[C@H](NC(=O)c1ccc(C#N)o1)c1nnc[nH]1	ZINC000310493337	385090408	/nfs/dbraw/zinc/09/04/08/385090408.db2.gz	HTKYFWGVFQVCFI-LURJTMIESA-N	0	1	231.215	0.760	20	30		BCEDMN
Cc1nc([C@@H]2CN(CCC#N)CCO2)n[nH]1	ZINC000407949433	385102035	/nfs/dbraw/zinc/10/20/35/385102035.db2.gz	SKFXXNYXVGPVIA-VIFPVBQESA-N	0	1	221.264	0.400	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncn[nH]1	ZINC000644785194	385192047	/nfs/dbraw/zinc/19/20/47/385192047.db2.gz	AHRSBSJTQHNKHC-YUMQZZPRSA-N	0	1	222.248	0.126	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc[nH]n1	ZINC000644785194	385192052	/nfs/dbraw/zinc/19/20/52/385192052.db2.gz	AHRSBSJTQHNKHC-YUMQZZPRSA-N	0	1	222.248	0.126	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@H]1C[C@H](C)O	ZINC000157361562	385150303	/nfs/dbraw/zinc/15/03/03/385150303.db2.gz	SAKRWOMKZLNADX-YNEHKIRRSA-N	0	1	243.347	0.785	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(O)C1	ZINC000177981142	385158210	/nfs/dbraw/zinc/15/82/10/385158210.db2.gz	ZOJNZKNWQVOIHP-CMPLNLGQSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(C)C(=O)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000189599256	385218821	/nfs/dbraw/zinc/21/88/21/385218821.db2.gz	ZLKGIDFCNSKMLY-SNVBAGLBSA-N	0	1	248.330	0.853	20	30		BCEDMN
C=C(C)CNC(=O)CSc1nnc(C)[nH]1	ZINC000154256760	385311770	/nfs/dbraw/zinc/31/17/70/385311770.db2.gz	FFAOBMGOBDOWQK-UHFFFAOYSA-N	0	1	226.305	0.898	20	30		BCEDMN
C=C(C)CNC(=O)CSc1nc(C)n[nH]1	ZINC000154256760	385311775	/nfs/dbraw/zinc/31/17/75/385311775.db2.gz	FFAOBMGOBDOWQK-UHFFFAOYSA-N	0	1	226.305	0.898	20	30		BCEDMN
C=CC[C@@H](CO)Nc1ncnc2[nH]cnc21	ZINC000273181434	385268686	/nfs/dbraw/zinc/26/86/86/385268686.db2.gz	BAQRQRLOZHSAOT-ZETCQYMHSA-N	0	1	219.248	0.702	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cccc(C#N)n3)C[C@H]21	ZINC000407995704	385336950	/nfs/dbraw/zinc/33/69/50/385336950.db2.gz	IULCJMRLAGUISP-VXGBXAGGSA-N	0	1	244.298	0.472	20	30		BCEDMN
N#CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000408002146	385361164	/nfs/dbraw/zinc/36/11/64/385361164.db2.gz	LRVNNEGIGLLUQC-LLVKDONJSA-N	0	1	237.303	0.270	20	30		BCEDMN
C=CCCOCC(=O)N1C[C@H](C)N[C@@H](C)C1	ZINC000644086908	385437917	/nfs/dbraw/zinc/43/79/17/385437917.db2.gz	AEAMRCYOAKDUHN-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCCNS(=O)(=O)c1ncc[nH]1	ZINC000308142193	385467075	/nfs/dbraw/zinc/46/70/75/385467075.db2.gz	UVYDDFVXXGSELA-UHFFFAOYSA-N	0	1	201.251	0.264	20	30		BCEDMN
CC(C)OC[C@@H](O)CN1CC[C@@](O)(CC#N)C1	ZINC000592146262	385568336	/nfs/dbraw/zinc/56/83/36/385568336.db2.gz	ASSXSFWZIKEGLS-RYUDHWBXSA-N	0	1	242.319	0.123	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1c1ccnc(C#N)c1	ZINC000450959973	385599726	/nfs/dbraw/zinc/59/97/26/385599726.db2.gz	ZIIKPCZMCXWVCH-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
C#CCN(CC)C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000366096672	533132373	/nfs/dbraw/zinc/13/23/73/533132373.db2.gz	YKXPYAPUCPCGRW-JTQLQIEISA-N	0	1	246.314	0.932	20	30		BCEDMN
N#CC[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1	ZINC000595611944	385634468	/nfs/dbraw/zinc/63/44/68/385634468.db2.gz	PUCSMHNCTUUDIV-NSHDSACASA-N	0	1	249.314	0.761	20	30		BCEDMN
CN(C(=O)[C@@H]1CNCCO1)[C@H]1CCC[C@H]1C#N	ZINC000602597348	385809374	/nfs/dbraw/zinc/80/93/74/385809374.db2.gz	BDUSNMZDZFZISW-DCAQKATOSA-N	0	1	237.303	0.125	20	30		BCEDMN
CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CCC[C@@H]1C#N	ZINC000602597357	385810238	/nfs/dbraw/zinc/81/02/38/385810238.db2.gz	BDUSNMZDZFZISW-MXWKQRLJSA-N	0	1	237.303	0.125	20	30		BCEDMN
N#Cc1ccnc(N2CCN(CC3CC3)CC2)n1	ZINC000231898084	385852150	/nfs/dbraw/zinc/85/21/50/385852150.db2.gz	KLHWSDXETNVVKO-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000360178263	533151004	/nfs/dbraw/zinc/15/10/04/533151004.db2.gz	HUHPTWUGYAOVKM-UHFFFAOYSA-N	0	1	231.299	0.842	20	30		BCEDMN
C[C@H](Cn1cncn1)NCc1ccc(C#N)o1	ZINC000266214486	385914272	/nfs/dbraw/zinc/91/42/72/385914272.db2.gz	PIPFWGZGMHKLMX-SECBINFHSA-N	0	1	231.259	0.921	20	30		BCEDMN
CCC#C[C@@H](C)N1CC[C@H](NC(C)=O)C1	ZINC000643254193	385992753	/nfs/dbraw/zinc/99/27/53/385992753.db2.gz	ACUXYRSJKBBWMD-PWSUYJOCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCC(F)(F)[C@H](CO)C1	ZINC000643387575	385948245	/nfs/dbraw/zinc/94/82/45/385948245.db2.gz	UJQIQDFMFRWLFB-VHSXEESVSA-N	0	1	235.274	0.873	20	30		BCEDMN
C#CCN1CCC[C@@H]1Cn1nc(C)nc1C	ZINC000368688320	533154620	/nfs/dbraw/zinc/15/46/20/533154620.db2.gz	ILMZZGLBRSAXLD-GFCCVEGCSA-N	0	1	218.304	0.993	20	30		BCEDMN
CC(=O)N1CC(NCc2ccc(C#N)cc2)C1	ZINC000572423303	385961114	/nfs/dbraw/zinc/96/11/14/385961114.db2.gz	YMXXFFSRYGEFDG-UHFFFAOYSA-N	0	1	229.283	0.879	20	30		BCEDMN
CO[C@]1(C)CCCN(CC(=O)NCC#N)CC1	ZINC000408345897	386153708	/nfs/dbraw/zinc/15/37/08/386153708.db2.gz	FRTZAZAOOMKPOP-GFCCVEGCSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](O)[C@@H](C)C1	ZINC000164645071	386175325	/nfs/dbraw/zinc/17/53/25/386175325.db2.gz	NRWWKUPDQUEPAU-DCAQKATOSA-N	0	1	226.320	0.380	20	30		BCEDMN
C[C@@H](C#N)C(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000347068878	386213407	/nfs/dbraw/zinc/21/34/07/386213407.db2.gz	MKRVIBHNUMDORI-ZETCQYMHSA-N	0	1	242.242	0.965	20	30		BCEDMN
CCN(CCCO)CC(=O)NC1(C#N)CCC1	ZINC000347029471	386220212	/nfs/dbraw/zinc/22/02/12/386220212.db2.gz	IJYPEJRAAKKTNF-UHFFFAOYSA-N	0	1	239.319	0.253	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000416457501	386310832	/nfs/dbraw/zinc/31/08/32/386310832.db2.gz	OHPSWOKHWSHUTE-IVZWLZJFSA-N	0	1	245.348	0.301	20	30		BCEDMN
CC(C)(C#N)CCN1CCN2CCOC[C@@H]2C1	ZINC000347235602	386275848	/nfs/dbraw/zinc/27/58/48/386275848.db2.gz	SGXBWYSENCYFIG-LBPRGKRZSA-N	0	1	237.347	0.943	20	30		BCEDMN
C=C(C)CN(C)CC(=O)N(C)CC(=O)OCC	ZINC000181255001	386341300	/nfs/dbraw/zinc/34/13/00/386341300.db2.gz	IVCDGUBKLRSTCC-UHFFFAOYSA-N	0	1	242.319	0.516	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC(=O)NC1CC1	ZINC000181287648	386346730	/nfs/dbraw/zinc/34/67/30/386346730.db2.gz	BZJJXINHADJQPF-UHFFFAOYSA-N	0	1	225.292	0.483	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](O)CC[C@H]1C	ZINC000399178494	386437051	/nfs/dbraw/zinc/43/70/51/386437051.db2.gz	RINZLEZFMPPKRF-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C#CCN(C)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000192238524	386487272	/nfs/dbraw/zinc/48/72/72/386487272.db2.gz	UULBFQDFDVNMSG-UHFFFAOYSA-N	0	1	249.314	0.416	20	30		BCEDMN
C#CCN(C)C[C@@H](O)COc1ccccc1	ZINC000192226783	386488191	/nfs/dbraw/zinc/48/81/91/386488191.db2.gz	LNEBLNBLDAWESM-GFCCVEGCSA-N	0	1	219.284	0.991	20	30		BCEDMN
C[C@@H](NCc1cccc(C#N)c1)C(N)=O	ZINC000035149839	386491044	/nfs/dbraw/zinc/49/10/44/386491044.db2.gz	ZJDCILGNPXTYBP-MRVPVSSYSA-N	0	1	203.245	0.522	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1	ZINC000572038239	386465375	/nfs/dbraw/zinc/46/53/75/386465375.db2.gz	IPMTWRMWMONKJR-ZIAGYGMSSA-N	0	1	246.310	0.733	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1	ZINC000124203393	386581489	/nfs/dbraw/zinc/58/14/89/386581489.db2.gz	NZNGXODAESDCNM-ZYHUDNBSSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCCCCCN1CCO[C@@H](C(N)=O)C1	ZINC000193322871	386545503	/nfs/dbraw/zinc/54/55/03/386545503.db2.gz	DJUWEZDXQLHWEY-LLVKDONJSA-N	0	1	226.320	0.919	20	30		BCEDMN
C=C(C)CN1CCC(NS(=O)(=O)NC)CC1	ZINC000408412141	386554477	/nfs/dbraw/zinc/55/44/77/386554477.db2.gz	NWWPTQIXZJIQPM-UHFFFAOYSA-N	0	1	247.364	0.081	20	30		BCEDMN
CO[C@@H]1CCN(CC(=O)NCC#N)[C@H](C)C1	ZINC000408424110	386573935	/nfs/dbraw/zinc/57/39/35/386573935.db2.gz	CYQRZKRKGLOCOT-NXEZZACHSA-N	0	1	225.292	0.125	20	30		BCEDMN
O=C(CNC(=O)[C@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000328777642	386619618	/nfs/dbraw/zinc/61/96/18/386619618.db2.gz	LORISNSQGLEUDN-QMMMGPOBSA-N	0	1	248.286	0.845	20	30		BCEDMN
O=C(CNC(=O)[C@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000328777642	386619622	/nfs/dbraw/zinc/61/96/22/386619622.db2.gz	LORISNSQGLEUDN-QMMMGPOBSA-N	0	1	248.286	0.845	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CCO)C(C)C	ZINC000049825296	386655505	/nfs/dbraw/zinc/65/55/05/386655505.db2.gz	VTZCVRGXIXJEEN-UHFFFAOYSA-N	0	1	240.347	0.890	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCn3c(n[nH]c3=O)C2)C1	ZINC000328846734	386631350	/nfs/dbraw/zinc/63/13/50/386631350.db2.gz	QPKXURKMJFTAHC-BDAKNGLRSA-N	0	1	233.275	0.492	20	30		BCEDMN
COCC#CCN1CCC[C@@H](n2ccnn2)C1	ZINC000644947765	386633896	/nfs/dbraw/zinc/63/38/96/386633896.db2.gz	AUGUCNAFPBJCGR-GFCCVEGCSA-N	0	1	234.303	0.565	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@](O)(CC)C1	ZINC000425921569	386635104	/nfs/dbraw/zinc/63/51/04/386635104.db2.gz	QGNVXGKMEOHXQO-LLVKDONJSA-N	0	1	212.293	0.135	20	30		BCEDMN
O=C(NCCn1cncn1)N1CC[C@@H](C2CC2)C1	ZINC000328912961	386652993	/nfs/dbraw/zinc/65/29/93/386652993.db2.gz	HSDZWNWKGSJEJL-LLVKDONJSA-N	0	1	249.318	0.924	20	30		BCEDMN
CC[C@H](O)CN1CCN(CCC#N)CC1	ZINC000330363593	386673522	/nfs/dbraw/zinc/67/35/22/386673522.db2.gz	LDAYQVZMPNMGET-NSHDSACASA-N	0	1	211.309	0.289	20	30		BCEDMN
CC#CCCN1CCC[C@@H]1CS(N)(=O)=O	ZINC000330363664	386675658	/nfs/dbraw/zinc/67/56/58/386675658.db2.gz	OKFZLQCBHQTCHI-SNVBAGLBSA-N	0	1	230.333	0.153	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N1CCNC[C@H]1C	ZINC000124635654	386657942	/nfs/dbraw/zinc/65/79/42/386657942.db2.gz	ODYNZMFINWBVSP-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H](C)C1	ZINC000330437677	386696035	/nfs/dbraw/zinc/69/60/35/386696035.db2.gz	PVQOQJDVPYUIQH-SECBINFHSA-N	0	1	225.292	0.544	20	30		BCEDMN
C=C(CC)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000335477141	386702089	/nfs/dbraw/zinc/70/20/89/386702089.db2.gz	GZOYEOULBRSTIG-UHFFFAOYSA-N	0	1	205.217	0.374	20	30		BCEDMN
C[C@@H](CO)CNC(=O)NCCc1cscn1	ZINC000330438816	386739060	/nfs/dbraw/zinc/73/90/60/386739060.db2.gz	SPSFTSFTTFERNH-MRVPVSSYSA-N	0	1	243.332	0.818	20	30		BCEDMN
C[C@H](CC#N)N[C@H]1CCC(=O)NC1(C)C	ZINC000336761179	386756207	/nfs/dbraw/zinc/75/62/07/386756207.db2.gz	NAPYPPFEZRYXPP-BDAKNGLRSA-N	0	1	209.293	0.935	20	30		BCEDMN
C[C@@H](CC#N)N[C@H]1CCC(=O)NC1(C)C	ZINC000336761181	386756533	/nfs/dbraw/zinc/75/65/33/386756533.db2.gz	NAPYPPFEZRYXPP-IUCAKERBSA-N	0	1	209.293	0.935	20	30		BCEDMN
CN(CCO)C([O-])=[NH+]CCCn1ccnc1	ZINC000330600051	386804736	/nfs/dbraw/zinc/80/47/36/386804736.db2.gz	YBZSSGCFRXPXCM-UHFFFAOYSA-N	0	1	226.280	0.111	20	30		BCEDMN
Cc1nnc(SCC(=O)N[C@H](C)C#N)[nH]1	ZINC000344932372	386806939	/nfs/dbraw/zinc/80/69/39/386806939.db2.gz	BBJHEPXSHRDVEL-RXMQYKEDSA-N	0	1	225.277	0.234	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N[C@H](C)C#N)n1	ZINC000344932372	386806940	/nfs/dbraw/zinc/80/69/40/386806940.db2.gz	BBJHEPXSHRDVEL-RXMQYKEDSA-N	0	1	225.277	0.234	20	30		BCEDMN
CC#CCNC(=O)C(C)(C)c1cnc[nH]1	ZINC000330681308	386828139	/nfs/dbraw/zinc/82/81/39/386828139.db2.gz	ZUADFUPLSAVJLL-UHFFFAOYSA-N	0	1	205.261	0.827	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@](C)(O)C1	ZINC000248372153	386867984	/nfs/dbraw/zinc/86/79/84/386867984.db2.gz	ZOJNZKNWQVOIHP-PWSUYJOCSA-N	0	1	239.319	0.204	20	30		BCEDMN
C=C(C)COCCNC(=O)N1CCNCC1	ZINC000417892303	386985892	/nfs/dbraw/zinc/98/58/92/386985892.db2.gz	QJTATOJFGUACQH-UHFFFAOYSA-N	0	1	227.308	0.194	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(N(C)C)n1C	ZINC000425383405	387033226	/nfs/dbraw/zinc/03/32/26/387033226.db2.gz	PIDWNCRQPOQJMM-SECBINFHSA-N	0	1	224.308	0.123	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)N1CCNCC1	ZINC000418155394	387176382	/nfs/dbraw/zinc/17/63/82/387176382.db2.gz	ZBIWTLTUUQTNJO-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
N#CCCCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000571850291	387184599	/nfs/dbraw/zinc/18/45/99/387184599.db2.gz	VUJYZGZDHRWAGO-SECBINFHSA-N	0	1	248.290	0.600	20	30		BCEDMN
CC(C)OC[C@@H](O)CNC[C@@H](C)C#N	ZINC000572114536	387238529	/nfs/dbraw/zinc/23/85/29/387238529.db2.gz	ZVSMDGZYWVYZRJ-UWVGGRQHSA-N	0	1	200.282	0.522	20	30		BCEDMN
N#CCCCN1CCC(N2CN=NC2=O)CC1	ZINC000514707631	387275844	/nfs/dbraw/zinc/27/58/44/387275844.db2.gz	CHNCBQAGZMXTDR-UHFFFAOYSA-N	0	1	235.291	0.924	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000610489955	387360791	/nfs/dbraw/zinc/36/07/91/387360791.db2.gz	XFULFOJCOUWIOO-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
C=CCCCCC[N@H+](C)CC(=O)NCC(=O)[O-]	ZINC000262160544	387341486	/nfs/dbraw/zinc/34/14/86/387341486.db2.gz	BWKWEZRGNBZZBR-UHFFFAOYSA-N	0	1	242.319	0.865	20	30		BCEDMN
COCCO[C@@H]1COCC[C@H]1NCCC#N	ZINC000515166850	387341858	/nfs/dbraw/zinc/34/18/58/387341858.db2.gz	LEBDEALDMPNVSI-GHMZBOCLSA-N	0	1	228.292	0.310	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(CC)CCOC	ZINC000270804631	387436072	/nfs/dbraw/zinc/43/60/72/387436072.db2.gz	VDIMJTRFCROQDN-JTQLQIEISA-N	0	1	212.293	0.093	20	30		BCEDMN
C#CCCN1CCN(c2cccnn2)CC1	ZINC000266177551	387402820	/nfs/dbraw/zinc/40/28/20/387402820.db2.gz	ADFKWGRGYNYCDP-UHFFFAOYSA-N	0	1	216.288	0.622	20	30		BCEDMN
CC#CCN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1	ZINC000266162211	387402999	/nfs/dbraw/zinc/40/29/99/387402999.db2.gz	ITZGHYBNPGTQTM-JTQLQIEISA-N	0	1	246.314	0.711	20	30		BCEDMN
C=C(C)CCN1CCO[C@H](CNC(C)=O)C1	ZINC000274795141	387490051	/nfs/dbraw/zinc/49/00/51/387490051.db2.gz	PHOHSCLFWWCAEN-GFCCVEGCSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NO[C@H]1CCCCO1	ZINC000278956487	387556784	/nfs/dbraw/zinc/55/67/84/387556784.db2.gz	WDZBQQGJDBGVHH-WDEREUQCSA-N	0	1	229.276	0.888	20	30		BCEDMN
C=CCNC(=O)CN1CCCC[C@@H]1COC	ZINC000452030691	387704057	/nfs/dbraw/zinc/70/40/57/387704057.db2.gz	OIJCCSNDRXTGBM-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnccc1N	ZINC000424212922	387930539	/nfs/dbraw/zinc/93/05/39/387930539.db2.gz	RDOUOMNRTVRPPR-CABZTGNLSA-N	0	1	247.298	0.815	20	30		BCEDMN
COc1cc(CN[C@@H]2COC[C@H]2O)ccc1C#N	ZINC000295476548	387933353	/nfs/dbraw/zinc/93/33/53/387933353.db2.gz	GJDCEZSJDPKSKS-VXGBXAGGSA-N	0	1	248.282	0.416	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2cnccc2N)C1	ZINC000424219139	387936470	/nfs/dbraw/zinc/93/64/70/387936470.db2.gz	ZOHYPWNRQVVRHU-DTWKUNHWSA-N	0	1	230.271	0.916	20	30		BCEDMN
N#CCNC(=O)CSc1n[nH]c(=S)s1	ZINC000267048282	135151385	/nfs/dbraw/zinc/15/13/85/135151385.db2.gz	VLAVHCQOAIYEKB-UHFFFAOYSA-N	0	1	246.342	0.559	20	30		BCEDMN
C#C[C@@H](C)N(C)S(=O)(=O)CCN1CCCC1	ZINC000490740027	388250219	/nfs/dbraw/zinc/25/02/19/388250219.db2.gz	IDENEJXLGFXIQM-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
Cc1cc(C[C@H](C)NC(=O)[C@@H](C)C#N)n[nH]1	ZINC000488996003	388201332	/nfs/dbraw/zinc/20/13/32/388201332.db2.gz	KCPWJXIRYFTDSM-YUMQZZPRSA-N	0	1	220.276	0.925	20	30		BCEDMN
C=CCCCS(=O)(=O)NCCN1CCCC1	ZINC000489068054	388203889	/nfs/dbraw/zinc/20/38/89/388203889.db2.gz	HRPOBXOXBKFBRP-UHFFFAOYSA-N	0	1	246.376	0.968	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000489346101	388208462	/nfs/dbraw/zinc/20/84/62/388208462.db2.gz	BHAWMOLAKGHQJS-LBPRGKRZSA-N	0	1	240.347	0.988	20	30		BCEDMN
C#CCN(CC#CC)CCCNC(C)=O	ZINC000490921842	388260283	/nfs/dbraw/zinc/26/02/83/388260283.db2.gz	ADCHOEFGLGCYND-UHFFFAOYSA-N	0	1	206.289	0.471	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(OC)C2)CC1	ZINC000490652606	388245718	/nfs/dbraw/zinc/24/57/18/388245718.db2.gz	ZKRITMPJBWFQIK-UHFFFAOYSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN(CC#CC)CCC(=O)N(C)OC	ZINC000490671449	388247048	/nfs/dbraw/zinc/24/70/48/388247048.db2.gz	TYUSOIGTZHHPON-UHFFFAOYSA-N	0	1	222.288	0.355	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CN(CC)C1CC1	ZINC000491285496	388282459	/nfs/dbraw/zinc/28/24/59/388282459.db2.gz	CZGPQVSPLKDDPI-SNVBAGLBSA-N	0	1	208.305	0.951	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CC(C)(C)CO	ZINC000491299477	388283807	/nfs/dbraw/zinc/28/38/07/388283807.db2.gz	ZMVPYRGWXAXEDX-SNVBAGLBSA-N	0	1	226.320	0.075	20	30		BCEDMN
C#CCN(CCN1C(=O)N[C@H](C)C1=O)C1CC1	ZINC000491556100	388303796	/nfs/dbraw/zinc/30/37/96/388303796.db2.gz	WEOSJUNAZPPEPS-SECBINFHSA-N	0	1	235.287	0.024	20	30		BCEDMN
C#C[C@@H]1COCCN1Cc1n[nH]c(C(C)C)n1	ZINC000491626715	388305789	/nfs/dbraw/zinc/30/57/89/388305789.db2.gz	KLNGPASWDNJLBX-SNVBAGLBSA-N	0	1	234.303	0.762	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)COc1ccc(C)cc1	ZINC000491628017	388306167	/nfs/dbraw/zinc/30/61/67/388306167.db2.gz	KJLDOVPIQNMCOP-CHWSQXEVSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCNC(=O)C1CCN(CCF)CC1	ZINC000491658672	388308740	/nfs/dbraw/zinc/30/87/40/388308740.db2.gz	LRQCCSZAIHVYGZ-UHFFFAOYSA-N	0	1	212.268	0.417	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)[C@H](C)N1CC(C)C1	ZINC000491672299	388309912	/nfs/dbraw/zinc/30/99/12/388309912.db2.gz	TWSQKYRLGRFPMG-RYUDHWBXSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#CCNC(=O)CC[N@H+](C)Cc1cnccc1C	ZINC000491674307	388310117	/nfs/dbraw/zinc/31/01/17/388310117.db2.gz	WVDCPGJCESQRJD-UHFFFAOYSA-N	0	1	245.326	0.961	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000491699010	388312396	/nfs/dbraw/zinc/31/23/96/388312396.db2.gz	UARSRMXEGBPHTG-NXEZZACHSA-N	0	1	220.228	0.137	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(F)cc1C	ZINC000491715592	388314382	/nfs/dbraw/zinc/31/43/82/388314382.db2.gz	KMXFLGUSNCGSJK-AAEUAGOBSA-N	0	1	237.274	0.751	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C	ZINC000491725915	388315111	/nfs/dbraw/zinc/31/51/11/388315111.db2.gz	FLWSHWCNXXDYQU-UHFFFAOYSA-N	0	1	239.363	0.398	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCc1cn[nH]c1C	ZINC000491747136	388317311	/nfs/dbraw/zinc/31/73/11/388317311.db2.gz	PGXYFICJWKSJLJ-JTQLQIEISA-N	0	1	220.276	0.929	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2	ZINC000491760142	388318757	/nfs/dbraw/zinc/31/87/57/388318757.db2.gz	PLCSRPLAZHHDMU-RWMBFGLXSA-N	0	1	249.358	0.293	20	30		BCEDMN
C#CCN1CCSC[C@H](C(=O)OC)C1	ZINC000491779860	388320432	/nfs/dbraw/zinc/32/04/32/388320432.db2.gz	JQUYSPBGONLMLL-SECBINFHSA-N	0	1	213.302	0.458	20	30		BCEDMN
C#CCN(CC#CC)CC[C@H]1CCNC1=O	ZINC000491785517	388320982	/nfs/dbraw/zinc/32/09/82/388320982.db2.gz	RMJXEVHXCBVAPO-GFCCVEGCSA-N	0	1	218.300	0.471	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1cccc(Cl)c1	ZINC000491805105	388321870	/nfs/dbraw/zinc/32/18/70/388321870.db2.gz	ODAWDCVXKMVKQT-NWDGAFQWSA-N	0	1	239.702	0.957	20	30		BCEDMN
C#C[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000491816273	388323223	/nfs/dbraw/zinc/32/32/23/388323223.db2.gz	MYGVHBVQBAXVSX-JTQLQIEISA-N	0	1	249.270	0.710	20	30		BCEDMN
C#CCN(CC#CC)CCC1OCCO1	ZINC000490986808	388263554	/nfs/dbraw/zinc/26/35/54/388263554.db2.gz	VOBKCVXYCHTSPH-UHFFFAOYSA-N	0	1	207.273	0.708	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCCOC2)CC1	ZINC000491126564	388271867	/nfs/dbraw/zinc/27/18/67/388271867.db2.gz	PVRWSEBLMCVVBF-UHFFFAOYSA-N	0	1	236.315	0.538	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2C[C@@H](C)[C@H]2C)CC1	ZINC000491210005	388277763	/nfs/dbraw/zinc/27/77/63/388277763.db2.gz	OWILSHKRGOCKLH-CHWSQXEVSA-N	0	1	249.358	0.104	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2C[C@H](C)[C@H]2C)CC1	ZINC000491210007	388278117	/nfs/dbraw/zinc/27/81/17/388278117.db2.gz	OWILSHKRGOCKLH-QWHCGFSZSA-N	0	1	249.358	0.104	20	30		BCEDMN
CN(C)C1CN(c2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000271756685	388401708	/nfs/dbraw/zinc/40/17/08/388401708.db2.gz	XGRUVUYRRHEKKD-UHFFFAOYSA-N	0	1	247.258	0.612	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)Cc1cnn(C)c1	ZINC000649224608	388462695	/nfs/dbraw/zinc/46/26/95/388462695.db2.gz	UTHVDSRWOPPIPP-LLVKDONJSA-N	0	1	209.293	0.789	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1cc(C#N)cnn1	ZINC000596181725	388407941	/nfs/dbraw/zinc/40/79/41/388407941.db2.gz	DYBJNNPDOIPZEJ-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCNC(=O)CN(C)CC(C)(C)CO	ZINC000295208328	135189009	/nfs/dbraw/zinc/18/90/09/135189009.db2.gz	LUGIZEPMCLZMLI-UHFFFAOYSA-N	0	1	214.309	0.239	20	30		BCEDMN
CN(C)C(=O)CNCc1cc(C#N)cs1	ZINC000086500139	256795248	/nfs/dbraw/zinc/79/52/48/256795248.db2.gz	WVVUPWLXJCKLMN-UHFFFAOYSA-N	0	1	223.301	0.798	20	30		BCEDMN
CCN(CC(=O)N[C@]1(C#N)CCOC1)C1CC1	ZINC000548140194	388516855	/nfs/dbraw/zinc/51/68/55/388516855.db2.gz	RBGFIECKTNORST-LBPRGKRZSA-N	0	1	237.303	0.270	20	30		BCEDMN
C=CCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000516969832	388530199	/nfs/dbraw/zinc/53/01/99/388530199.db2.gz	JHBLXTREKDSFPN-UHFFFAOYSA-N	0	1	219.244	0.765	20	30		BCEDMN
CC(C)COC[C@H](O)CNCC1(C#N)CC1	ZINC000517025940	388533772	/nfs/dbraw/zinc/53/37/72/388533772.db2.gz	UYTNWZGMUVUCGU-LLVKDONJSA-N	0	1	226.320	0.913	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000565193826	388596714	/nfs/dbraw/zinc/59/67/14/388596714.db2.gz	HUHIVVNCIMPJLB-ZJUUUORDSA-N	0	1	237.303	0.642	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000565193813	388598056	/nfs/dbraw/zinc/59/80/56/388598056.db2.gz	HUHIVVNCIMPJLB-NXEZZACHSA-N	0	1	237.303	0.642	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1cnccc1C#N	ZINC000598155912	388560760	/nfs/dbraw/zinc/56/07/60/388560760.db2.gz	BPVTXNUGNVCZGC-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
CN(Cc1ccc(C#N)cn1)C1(CO)CC1	ZINC000520425507	388667927	/nfs/dbraw/zinc/66/79/27/388667927.db2.gz	YFCKZLOCVBDJSD-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
N#Cc1cccc(CNC(=O)N2CCNCC2)c1	ZINC000417000098	388673396	/nfs/dbraw/zinc/67/33/96/388673396.db2.gz	ULRFISBHBCQYEY-UHFFFAOYSA-N	0	1	244.298	0.673	20	30		BCEDMN
C=C(CC)CN1CCC[C@H](S(=O)(=O)NC)C1	ZINC000538012774	388675579	/nfs/dbraw/zinc/67/55/79/388675579.db2.gz	JOCPICRQTHLLDC-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
C=C(C)CN(CC)[C@@H](C)C(=O)NCC(=O)OC	ZINC000125950104	388683318	/nfs/dbraw/zinc/68/33/18/388683318.db2.gz	QXWFYDNCXVRJBQ-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C#CCN(C)Cc1ccc(C(N)=O)cc1	ZINC000194162415	388725612	/nfs/dbraw/zinc/72/56/12/388725612.db2.gz	QTZNYVVGDQVCAZ-UHFFFAOYSA-N	0	1	202.257	0.851	20	30		BCEDMN
Cc1nc([C@H](C)Nc2ncncc2C#N)n[nH]1	ZINC000392457578	388806093	/nfs/dbraw/zinc/80/60/93/388806093.db2.gz	AVAMPNBVRUKYGT-LURJTMIESA-N	0	1	229.247	0.370	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(CC)CCOC	ZINC000270816954	135364579	/nfs/dbraw/zinc/36/45/79/135364579.db2.gz	XRJIGRFXELEQLM-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CCOC[C@H]2C#N)C1	ZINC000553492980	388778764	/nfs/dbraw/zinc/77/87/64/388778764.db2.gz	MSDPLPGMGKZOFG-WDEREUQCSA-N	0	1	237.303	0.079	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2cc(C#N)ncn2)CCN1C	ZINC000555804961	388823631	/nfs/dbraw/zinc/82/36/31/388823631.db2.gz	YQOSGJJUGAILNR-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000649183156	388895452	/nfs/dbraw/zinc/89/54/52/388895452.db2.gz	NFZRLAFSPYWNOC-NWDGAFQWSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C(C)CCNC(=O)N1CCN[C@H](C)C1	ZINC000335650051	533486564	/nfs/dbraw/zinc/48/65/64/533486564.db2.gz	QKSRWHNRQTVYTL-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C[C@@H]1CN(c2cccc(C#N)n2)CCN1CCO	ZINC000302396625	132263119	/nfs/dbraw/zinc/26/31/19/132263119.db2.gz	JDVAQUROZFCOGS-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C=C(C)CN1CCC[C@@H](S(=O)(=O)N(C)C)C1	ZINC000335942873	134018372	/nfs/dbraw/zinc/01/83/72/134018372.db2.gz	UJNLZWFOJIKXHL-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1	ZINC000351959323	134018397	/nfs/dbraw/zinc/01/83/97/134018397.db2.gz	OOVNKZKMVOUICJ-QWRGUYRKSA-N	0	1	239.319	0.061	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@H](O)[C@@H](C)C1	ZINC000351959323	134018398	/nfs/dbraw/zinc/01/83/98/134018398.db2.gz	OOVNKZKMVOUICJ-QWRGUYRKSA-N	0	1	239.319	0.061	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N[C@H](C#N)C1CC1	ZINC000335973338	134030388	/nfs/dbraw/zinc/03/03/88/134030388.db2.gz	GFKCMUYIEZHMOE-ZJUUUORDSA-N	0	1	207.277	0.499	20	30		BCEDMN
COC(=O)[C@]1(C)CCCN1C(=O)C(C)C#N	ZINC000336110051	134086084	/nfs/dbraw/zinc/08/60/84/134086084.db2.gz	JCXGGFGCWACYNM-KWQFWETISA-N	0	1	224.260	0.700	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)N(C)C)C1	ZINC000336300005	134142441	/nfs/dbraw/zinc/14/24/41/134142441.db2.gz	WBHHTYYZAOEUDQ-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H]1CCCC[C@H]1O	ZINC000305838287	134160620	/nfs/dbraw/zinc/16/06/20/134160620.db2.gz	XYQDCLPFPKDFEW-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H]1CCCC[C@@H]1O	ZINC000305838286	134160709	/nfs/dbraw/zinc/16/07/09/134160709.db2.gz	XYQDCLPFPKDFEW-NEPJUHHUSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)[C@H](C)[C@H]1C	ZINC000356976811	134181748	/nfs/dbraw/zinc/18/17/48/134181748.db2.gz	BUCDOPYHUVPVIO-GHMZBOCLSA-N	0	1	225.336	0.313	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN(C(C)=O)C[C@H]1C	ZINC000357309353	134182592	/nfs/dbraw/zinc/18/25/92/134182592.db2.gz	TYRMDTXNWUVLKA-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
CCCN(CC#N)C(=O)Cc1ccn[nH]1	ZINC000359967021	134198222	/nfs/dbraw/zinc/19/82/22/134198222.db2.gz	DASZMYDGKKJJFT-UHFFFAOYSA-N	0	1	206.249	0.714	20	30		BCEDMN
CCOC(=O)C(C)(C)NC(=O)C(C)C#N	ZINC000360117760	134198804	/nfs/dbraw/zinc/19/88/04/134198804.db2.gz	FPIDARQNZJOTEP-ZETCQYMHSA-N	0	1	212.249	0.604	20	30		BCEDMN
N#CCCCC(=O)NCCN1CCSCC1	ZINC000360197688	134199133	/nfs/dbraw/zinc/19/91/33/134199133.db2.gz	GQFNMEFQRSFIGT-UHFFFAOYSA-N	0	1	241.360	0.845	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](OC)C1	ZINC000361367119	134204771	/nfs/dbraw/zinc/20/47/71/134204771.db2.gz	DPTWQLXBVTXHNM-NXEZZACHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@H](CO)OC[C@@H]1C	ZINC000361677158	134207319	/nfs/dbraw/zinc/20/73/19/134207319.db2.gz	DUJSWDPFERMVFC-SDDRHHMPSA-N	0	1	229.320	0.395	20	30		BCEDMN
N#CCCCN1CCC[C@]2(CNC(=O)O2)C1	ZINC000369041289	134221411	/nfs/dbraw/zinc/22/14/11/134221411.db2.gz	NUZWUVVTBMMHDU-NSHDSACASA-N	0	1	223.276	0.865	20	30		BCEDMN
C#CCCN1CCO[C@@]2(CCO[C@H]2C)C1	ZINC000369316000	134222596	/nfs/dbraw/zinc/22/25/96/134222596.db2.gz	XZOXMLKGHOFDJA-RYUDHWBXSA-N	0	1	209.289	0.890	20	30		BCEDMN
C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1nnc[nH]1	ZINC000176220429	134289596	/nfs/dbraw/zinc/28/95/96/134289596.db2.gz	KVFWEXORFCHJTH-LURJTMIESA-N	0	1	230.231	0.495	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CC2(CO)CC2)C1=O	ZINC000337207216	135007210	/nfs/dbraw/zinc/00/72/10/135007210.db2.gz	OBMBNQYCPTXMEG-LLVKDONJSA-N	0	1	238.331	0.478	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@H]2CCCOC2)C1=O	ZINC000337236688	135009114	/nfs/dbraw/zinc/00/91/14/135009114.db2.gz	YDIBUOPGLCDGMF-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NCC#N	ZINC000076150239	135014862	/nfs/dbraw/zinc/01/48/62/135014862.db2.gz	ZLHFVYXVINNZLU-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCOC[C@@H](C)C1	ZINC000338256887	135030500	/nfs/dbraw/zinc/03/05/00/135030500.db2.gz	WKDUQMJJRKDKOT-QWRGUYRKSA-N	0	1	226.320	0.645	20	30		BCEDMN
C=CCOCCN1CCN(CCOCC)CC1	ZINC000338968972	135049029	/nfs/dbraw/zinc/04/90/29/135049029.db2.gz	NCZBWMFMFOYEEH-UHFFFAOYSA-N	0	1	242.363	0.843	20	30		BCEDMN
C=CCOCCN1CCC[C@H]1C(=O)NC1CC1	ZINC000338994103	135049983	/nfs/dbraw/zinc/04/99/83/135049983.db2.gz	FGBLSULLHPAISP-LBPRGKRZSA-N	0	1	238.331	0.932	20	30		BCEDMN
Cn1cc([C@H](CO)N[C@H]2CC[C@@H](C#N)C2)cn1	ZINC000339086276	135055145	/nfs/dbraw/zinc/05/51/45/135055145.db2.gz	ZCNOUGXEWQPEGP-USWWRNFRSA-N	0	1	234.303	0.735	20	30		BCEDMN
C=CCOCCN1CCN2C(=O)CC[C@@H]2C1	ZINC000339059514	135055276	/nfs/dbraw/zinc/05/52/76/135055276.db2.gz	FNDWUABMYNRLLP-LLVKDONJSA-N	0	1	224.304	0.496	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1	ZINC000339059500	135055608	/nfs/dbraw/zinc/05/56/08/135055608.db2.gz	DYPZBBLGKMVGDI-WOPDTQHZSA-N	0	1	233.315	0.985	20	30		BCEDMN
C=CCOCCN1CCN2CCOC[C@H]2C1	ZINC000339089034	135057049	/nfs/dbraw/zinc/05/70/49/135057049.db2.gz	POSCPXUORFSCAU-GFCCVEGCSA-N	0	1	226.320	0.205	20	30		BCEDMN
C=CCOCCN1CCOC[C@H]1CCOC	ZINC000339208509	135066867	/nfs/dbraw/zinc/06/68/67/135066867.db2.gz	JGYSNKWDKUKDGT-GFCCVEGCSA-N	0	1	229.320	0.926	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@H](C)N(C)[C@@H](C)C1	ZINC000339617535	135076484	/nfs/dbraw/zinc/07/64/84/135076484.db2.gz	VRKCYXMYKSQUTB-SRVKXCTJSA-N	0	1	239.363	0.702	20	30		BCEDMN
Cc1cn[nH]c1CN1CCO[C@@H](C#N)C1	ZINC000259568998	135103679	/nfs/dbraw/zinc/10/36/79/135103679.db2.gz	AJNDKPLTSWHWMK-VIFPVBQESA-N	0	1	206.249	0.443	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)Cc1cc(C)n[nH]1	ZINC000260262061	135105944	/nfs/dbraw/zinc/10/59/44/135105944.db2.gz	XUOBVCHHVUXKOD-QMMMGPOBSA-N	0	1	206.249	0.679	20	30		BCEDMN
N#C[C@H]1CSCCN1C(=O)c1ccn[nH]1	ZINC000259886920	135106350	/nfs/dbraw/zinc/10/63/50/135106350.db2.gz	OMZKGGAFKLQFOG-ZETCQYMHSA-N	0	1	222.273	0.491	20	30		BCEDMN
C#CC[NH+]1CCC(C(=O)Nc2nnc[n-]2)CC1	ZINC000299123291	135202049	/nfs/dbraw/zinc/20/20/49/135202049.db2.gz	ACVLWFPNIKZIGT-UHFFFAOYSA-N	0	1	233.275	0.088	20	30		BCEDMN
C#CCN1CCC(C(=O)Nc2nc[nH]n2)CC1	ZINC000299123291	135202051	/nfs/dbraw/zinc/20/20/51/135202051.db2.gz	ACVLWFPNIKZIGT-UHFFFAOYSA-N	0	1	233.275	0.088	20	30		BCEDMN
C#CCN(CC)C(=O)C1CCN(CC#C)CC1	ZINC000299353557	135203194	/nfs/dbraw/zinc/20/31/94/135203194.db2.gz	OWHHMXKNEKNKAH-UHFFFAOYSA-N	0	1	232.327	0.813	20	30		BCEDMN
C=CCC[C@H](O)CN(C)CC(=O)NC1CC1	ZINC000121336846	135222844	/nfs/dbraw/zinc/22/28/44/135222844.db2.gz	BUSSPBHXGWBAPZ-NSHDSACASA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCN(C)[C@@H](C)C(=O)NC(=O)NC(C)C	ZINC000121501305	135224665	/nfs/dbraw/zinc/22/46/65/135224665.db2.gz	VZQKGHTVELPUCE-VIFPVBQESA-N	0	1	227.308	0.727	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@H]1C	ZINC000340921305	135232273	/nfs/dbraw/zinc/23/22/73/135232273.db2.gz	KYBPSZKKTGUCAZ-MNOVXSKESA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@H](CO)C1	ZINC000304319058	135243372	/nfs/dbraw/zinc/24/33/72/135243372.db2.gz	SCPNNLUHHHUHFU-NSHDSACASA-N	0	1	239.319	0.063	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@@H]1[C@@H]1CCCO1	ZINC000342043380	135246761	/nfs/dbraw/zinc/24/67/61/135246761.db2.gz	GNNNHBQLSMXVFQ-MNOVXSKESA-N	0	1	237.303	0.270	20	30		BCEDMN
C=CC1CCN(C(=O)C[C@@H]2COCCN2)CC1	ZINC000262592536	135306849	/nfs/dbraw/zinc/30/68/49/135306849.db2.gz	WLDACJMLETXUDK-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCOCC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000342994964	135343932	/nfs/dbraw/zinc/34/39/32/135343932.db2.gz	BKYQKDQFAMOUIS-MRVPVSSYSA-N	0	1	238.291	0.747	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)[C@H](CC)CO	ZINC000294074037	135377552	/nfs/dbraw/zinc/37/75/52/135377552.db2.gz	KZJUINCKFNCFNM-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCOCCN[C@@H](CO)c1cnn(C)c1	ZINC000294468792	135377663	/nfs/dbraw/zinc/37/76/63/135377663.db2.gz	GRDLSMSAASCWLM-NSHDSACASA-N	0	1	225.292	0.246	20	30		BCEDMN
CC(C)OC(=O)[C@@H](C)N(C)C(=O)C(C)C#N	ZINC000347889031	136015260	/nfs/dbraw/zinc/01/52/60/136015260.db2.gz	JCXNUCSQMTVJIO-DTWKUNHWSA-N	0	1	226.276	0.945	20	30		BCEDMN
CN(Cc1cc(C#N)n(C)c1)[C@H]1COC[C@@H]1O	ZINC000348637676	136114662	/nfs/dbraw/zinc/11/46/62/136114662.db2.gz	ANTFQMOQTUXTFW-RYUDHWBXSA-N	0	1	235.287	0.088	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCc2cccnc2)C1	ZINC000592150213	397943954	/nfs/dbraw/zinc/94/39/54/397943954.db2.gz	BAEGZNUEAYVXPV-CYBMUJFWSA-N	0	1	231.299	0.975	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1n[nH]c(CC)n1	ZINC000297553732	397982134	/nfs/dbraw/zinc/98/21/34/397982134.db2.gz	RJQUMXVGVABOBR-SSDOTTSWSA-N	0	1	221.264	0.188	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000259691092	397987244	/nfs/dbraw/zinc/98/72/44/397987244.db2.gz	AVABFTZIASWABI-GMTAPVOTSA-N	0	1	221.304	0.889	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000491503147	398043761	/nfs/dbraw/zinc/04/37/61/398043761.db2.gz	BDYBPQJMKYSYAG-WDEREUQCSA-N	0	1	240.372	0.952	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)Cc1cc(C)n[nH]1	ZINC000491737975	398063494	/nfs/dbraw/zinc/06/34/94/398063494.db2.gz	ONEXHTMKDFESOY-VIFPVBQESA-N	0	1	205.261	0.789	20	30		BCEDMN
C#C[C@H](CC)NC(=O)Cc1cc(C)n[nH]1	ZINC000491737950	398063808	/nfs/dbraw/zinc/06/38/08/398063808.db2.gz	ONEXHTMKDFESOY-SECBINFHSA-N	0	1	205.261	0.789	20	30		BCEDMN
C[C@H](C(=O)NCC1(C#N)CCC1)N(C)C	ZINC000602166397	398068468	/nfs/dbraw/zinc/06/84/68/398068468.db2.gz	WUVKGODHBWTZHW-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CCc1c[nH]nn1	ZINC000631344521	398075645	/nfs/dbraw/zinc/07/56/45/398075645.db2.gz	ROVHXLDWBCXDCS-MRVPVSSYSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CCc1cnn[nH]1	ZINC000631344521	398075649	/nfs/dbraw/zinc/07/56/49/398075649.db2.gz	ROVHXLDWBCXDCS-MRVPVSSYSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCc1cc(C)[nH]n1	ZINC000685738647	487575100	/nfs/dbraw/zinc/57/51/00/487575100.db2.gz	QCWDJUQYAXSNJZ-NSHDSACASA-N	0	1	223.276	0.661	20	30		BCEDMN
C#CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1	ZINC000274100976	166154917	/nfs/dbraw/zinc/15/49/17/166154917.db2.gz	OXZPCPMDJFKVKL-UHFFFAOYSA-N	0	1	248.242	0.864	20	30		BCEDMN
C#CCCN1CCN(Cc2ccon2)CC1	ZINC000268712124	166137829	/nfs/dbraw/zinc/13/78/29/166137829.db2.gz	MQTOHHNLQCOUBE-UHFFFAOYSA-N	0	1	219.288	0.816	20	30		BCEDMN
C#CCCNC(=O)CCCCc1cn[nH]n1	ZINC000274383860	166139806	/nfs/dbraw/zinc/13/98/06/166139806.db2.gz	NPGRUJFUJZXOEC-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C#CC[C@@H](NCC(N)=O)c1ccccc1	ZINC000271703426	166204884	/nfs/dbraw/zinc/20/48/84/166204884.db2.gz	NALNELPRQZRLEI-LLVKDONJSA-N	0	1	202.257	0.826	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H](c2ncc[nH]2)C1	ZINC000266912643	166366313	/nfs/dbraw/zinc/36/63/13/166366313.db2.gz	JLRYLEXAXBGIPW-NSHDSACASA-N	0	1	248.330	0.891	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](CO)c1ccccc1	ZINC000272103070	166370522	/nfs/dbraw/zinc/37/05/22/166370522.db2.gz	LYMJYNBTBDVOSJ-LBPRGKRZSA-N	0	1	234.299	0.612	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(F)nc1C	ZINC000278842608	166370716	/nfs/dbraw/zinc/37/07/16/166370716.db2.gz	WFWFCZDIWIWJQP-UHFFFAOYSA-N	0	1	237.278	0.921	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCC[C@H](C)C1	ZINC000016446165	166376884	/nfs/dbraw/zinc/37/68/84/166376884.db2.gz	OSKUJPRYXCMTDO-JTQLQIEISA-N	0	1	239.319	0.730	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1cnn(C)c1	ZINC000273319775	166382048	/nfs/dbraw/zinc/38/20/48/166382048.db2.gz	QUHRMMQAEOLJRC-NXEZZACHSA-N	0	1	236.319	0.761	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]cnc21	ZINC000331124589	411163814	/nfs/dbraw/zinc/16/38/14/411163814.db2.gz	CROIWIOOSXCPRN-IUCAKERBSA-N	0	1	235.287	0.493	20	30		BCEDMN
C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O	ZINC000661723816	411291844	/nfs/dbraw/zinc/29/18/44/411291844.db2.gz	VJUDBEHVYHLYKH-DMDPSCGWSA-N	0	1	236.315	0.230	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC[C@@]3(O)C[C@H]3C2)C1=O	ZINC000661723816	411291849	/nfs/dbraw/zinc/29/18/49/411291849.db2.gz	VJUDBEHVYHLYKH-DMDPSCGWSA-N	0	1	236.315	0.230	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(OC)nc1C	ZINC000662168918	411373627	/nfs/dbraw/zinc/37/36/27/411373627.db2.gz	ZIRJIHRCVIQSOG-SNVBAGLBSA-N	0	1	223.276	0.430	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000662167356	411370850	/nfs/dbraw/zinc/37/08/50/411370850.db2.gz	AXNNZJLUBCHBPT-IJLUTSLNSA-N	0	1	240.347	0.912	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC(C)(C)C	ZINC000662166253	411371065	/nfs/dbraw/zinc/37/10/65/411371065.db2.gz	XMJYXGSFWWWIMK-DTWKUNHWSA-N	0	1	214.309	0.426	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000662168687	411371645	/nfs/dbraw/zinc/37/16/45/411371645.db2.gz	QPLOEHHDSWHJSF-JGVFFNPUSA-N	0	1	210.281	0.565	20	30		BCEDMN
C=CCOCCCNC(=O)c1ccnc(CN)c1	ZINC000659359177	411402012	/nfs/dbraw/zinc/40/20/12/411402012.db2.gz	PIQKZINVZDYOHC-UHFFFAOYSA-N	0	1	249.314	0.863	20	30		BCEDMN
C=CCCNS(=O)(=O)CCN(CC)CC	ZINC000657077452	411403529	/nfs/dbraw/zinc/40/35/29/411403529.db2.gz	RNGSYMSBMUZZKO-UHFFFAOYSA-N	0	1	234.365	0.824	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](O)C(C)C)nn1	ZINC000657364864	411481360	/nfs/dbraw/zinc/48/13/60/411481360.db2.gz	BAWPDCAVIUKCAG-LBPRGKRZSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](O)C(C)C)nn1	ZINC000657364863	411481501	/nfs/dbraw/zinc/48/15/01/411481501.db2.gz	BAWPDCAVIUKCAG-GFCCVEGCSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](O)CC)nn1	ZINC000657493730	411534018	/nfs/dbraw/zinc/53/40/18/411534018.db2.gz	IRELGGGHQYOULM-LLVKDONJSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCCn1cc(CNCC(C)(C)CO)nn1	ZINC000657411781	411498202	/nfs/dbraw/zinc/49/82/02/411498202.db2.gz	XHLFWIIJMYWBIL-UHFFFAOYSA-N	0	1	238.335	0.962	20	30		BCEDMN
C=CCCn1cc(CNCCN2CCC2)nn1	ZINC000657415740	411499641	/nfs/dbraw/zinc/49/96/41/411499641.db2.gz	MOPIGOQCDVOLIB-UHFFFAOYSA-N	0	1	235.335	0.650	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCN[C@@H](C(C)C)C1	ZINC000660187268	411552571	/nfs/dbraw/zinc/55/25/71/411552571.db2.gz	CZIBUZGYRTWYAK-LLVKDONJSA-N	0	1	246.376	0.822	20	30		BCEDMN
C=CCCNC(=O)NC[C@H]1CN(C)CCN1C	ZINC000660640450	411610875	/nfs/dbraw/zinc/61/08/75/411610875.db2.gz	XDXULIIDGOMEMK-NSHDSACASA-N	0	1	240.351	0.108	20	30		BCEDMN
C=CC[N@H+](CCC(=O)[O-])[C@@H](C)COC	ZINC000661244247	411742661	/nfs/dbraw/zinc/74/26/61/411742661.db2.gz	SGTPMDOUJLZLDA-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
CC[C@H](C(=O)Nc1n[nH]cc1C#N)N(C)C	ZINC000601639731	411744870	/nfs/dbraw/zinc/74/48/70/411744870.db2.gz	RVWKAQRQQVYKBU-MRVPVSSYSA-N	0	1	221.264	0.560	20	30		BCEDMN
CCc1nc([C@H](C)Nc2cc(C#N)cnn2)n[nH]1	ZINC000596181205	411786711	/nfs/dbraw/zinc/78/67/11/411786711.db2.gz	YZWPVENKJDKHTM-ZETCQYMHSA-N	0	1	243.274	1.202	20	30		BCEDMN
CC[C@@H](C(=O)Nc1n[nH]cc1C#N)N(C)C	ZINC000601639732	411722321	/nfs/dbraw/zinc/72/23/21/411722321.db2.gz	RVWKAQRQQVYKBU-QMMMGPOBSA-N	0	1	221.264	0.560	20	30		BCEDMN
C=CCN1CCC[C@H](c2nnc(N)o2)C1	ZINC000639822342	411852224	/nfs/dbraw/zinc/85/22/24/411852224.db2.gz	SIEBGCULVKVYBR-QMMMGPOBSA-N	0	1	208.265	1.017	20	30		BCEDMN
CC#CCN1CCC[C@@H](c2nnc(N)o2)C1	ZINC000639822990	411853280	/nfs/dbraw/zinc/85/32/80/411853280.db2.gz	UXTBTYYQRZWGKH-SECBINFHSA-N	0	1	220.276	0.855	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCC1CCC1	ZINC000662165763	412014315	/nfs/dbraw/zinc/01/43/15/412014315.db2.gz	PAPKWGAUWSGVTR-SNVBAGLBSA-N	0	1	212.293	0.039	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000662167403	412015702	/nfs/dbraw/zinc/01/57/02/412015702.db2.gz	CKKLCLSZFIPSCR-QJPTWQEYSA-N	0	1	240.347	0.818	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCC[C@H](C)C1	ZINC000662167420	412015747	/nfs/dbraw/zinc/01/57/47/412015747.db2.gz	DLLHTJZSQDZBJC-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)[O-])C1	ZINC000662215120	412027815	/nfs/dbraw/zinc/02/78/15/412027815.db2.gz	GBNDRTBIADKJFV-JTQLQIEISA-N	0	1	240.303	0.475	20	30		BCEDMN
C=C(C)CN1CCc2nnc(NC)cc2C1	ZINC000591915731	412079159	/nfs/dbraw/zinc/07/91/59/412079159.db2.gz	JWNZFHQLLPBIOM-UHFFFAOYSA-N	0	1	218.304	1.453	20	30		BCEDMN
C[C@H](C#N)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000347100280	412185254	/nfs/dbraw/zinc/18/52/54/412185254.db2.gz	FYXUGUATYXLRFF-SECBINFHSA-N	0	1	241.254	1.365	20	30		BCEDMN
C=CCOc1cccc(NC(=O)C2(O)CNC2)c1	ZINC000662529331	412205196	/nfs/dbraw/zinc/20/51/96/412205196.db2.gz	VRFALMJGKRYRFS-UHFFFAOYSA-N	0	1	248.282	0.524	20	30		BCEDMN
CN(C)C1CN(C(=O)Nc2nn(C)cc2C#N)C1	ZINC000612573543	412154744	/nfs/dbraw/zinc/15/47/44/412154744.db2.gz	KVCUGVRWHBEYEE-UHFFFAOYSA-N	0	1	248.290	0.069	20	30		BCEDMN
C=CCCCCCN(C)C(=O)C1(O)CNC1	ZINC000662612277	412242247	/nfs/dbraw/zinc/24/22/47/412242247.db2.gz	NSJSYQWGITURQI-UHFFFAOYSA-N	0	1	226.320	0.526	20	30		BCEDMN
CC(C)[C@H](C(=O)Nc1n[nH]cc1C#N)N(C)C	ZINC000601640550	412315851	/nfs/dbraw/zinc/31/58/51/412315851.db2.gz	ZJUZYXNWNRORFP-SECBINFHSA-N	0	1	235.291	0.806	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CNCCO1)[C@H](C)COC	ZINC000662856143	412325392	/nfs/dbraw/zinc/32/53/92/412325392.db2.gz	ZVLFCKJRRQNLRP-MNOVXSKESA-N	0	1	242.319	0.024	20	30		BCEDMN
C=CCC1(NC(=O)CNC(=O)CN)CCCC1	ZINC000662889115	412336002	/nfs/dbraw/zinc/33/60/02/412336002.db2.gz	SHLGZBALYHMGFK-UHFFFAOYSA-N	0	1	239.319	0.066	20	30		BCEDMN
CN(C)C(=O)CNCc1cccc(C#N)c1	ZINC000037207991	172369585	/nfs/dbraw/zinc/36/95/85/172369585.db2.gz	ZXUIAGAMYYCQGX-UHFFFAOYSA-N	0	1	217.272	0.736	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2cccnc2C#N)C1	ZINC000226776148	173074820	/nfs/dbraw/zinc/07/48/20/173074820.db2.gz	PHIYGLUYRAXKCR-NSHDSACASA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2cnc(C#N)cn2)C1	ZINC000083647291	173077132	/nfs/dbraw/zinc/07/71/32/173077132.db2.gz	WAKMZVBFKXNRQT-LLVKDONJSA-N	0	1	246.318	0.006	20	30		BCEDMN
CN1CCN(CCNc2ccc(C#N)nc2)CC1	ZINC000149339826	173081713	/nfs/dbraw/zinc/08/17/13/173081713.db2.gz	VJAFCGKBUYINJH-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CN1CCN(CCNc2ccnc(C#N)c2)CC1	ZINC000061811744	173084023	/nfs/dbraw/zinc/08/40/23/173084023.db2.gz	LMULNALFMDIMQG-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccnc(C#N)c3)C[C@@H]21	ZINC000329363198	173104681	/nfs/dbraw/zinc/10/46/81/173104681.db2.gz	HNMWEYFIVHYESD-QWHCGFSZSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21	ZINC000153151738	173105631	/nfs/dbraw/zinc/10/56/31/173105631.db2.gz	JRSMKXYDZZNNAJ-QWHCGFSZSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ncccc3C#N)C[C@H]21	ZINC000301673908	173105982	/nfs/dbraw/zinc/10/59/82/173105982.db2.gz	RMGWMZKOPWRJAZ-VXGBXAGGSA-N	0	1	244.298	0.472	20	30		BCEDMN
CNC(=O)CNCc1ccc(C#N)c(OC)c1	ZINC000234346985	173277791	/nfs/dbraw/zinc/27/77/91/173277791.db2.gz	AGNZASINVBCKHQ-UHFFFAOYSA-N	0	1	233.271	0.402	20	30		BCEDMN
CNC(=O)CN[C@@H](C)c1cccc(C#N)c1	ZINC000037254150	173278135	/nfs/dbraw/zinc/27/81/35/173278135.db2.gz	MISKZCVAWQRCNB-VIFPVBQESA-N	0	1	217.272	0.955	20	30		BCEDMN
C=CCC(CC=C)C(=O)NCc1nn[nH]n1	ZINC000675156482	487676206	/nfs/dbraw/zinc/67/62/06/487676206.db2.gz	LKKABXQAWKDJKK-UHFFFAOYSA-N	0	1	221.264	0.584	20	30		BCEDMN
Cc1cc(NCCCc2nc[nH]n2)c(C#N)cn1	ZINC000399488842	267300331	/nfs/dbraw/zinc/30/03/31/267300331.db2.gz	HDOJPINSYPDNMC-UHFFFAOYSA-N	0	1	242.286	0.846	20	30		BCEDMN
CC(C)N1CC(=NN[C@H](C)CO)[C@@H](C)C1	ZINC000754256318	585281290	/nfs/dbraw/zinc/28/12/90/585281290.db2.gz	HBDPBRCCOWIYMP-VHSXEESVSA-N	0	1	213.325	0.673	20	30		BCEDMN
N#CCCCCN1CCN2C(=O)NC[C@H]2C1	ZINC000091752950	487794626	/nfs/dbraw/zinc/79/46/26/487794626.db2.gz	MYVVBVQGTATWJE-JTQLQIEISA-N	0	1	222.292	0.390	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1(F)CCCC1	ZINC000773981261	585647507	/nfs/dbraw/zinc/64/75/07/585647507.db2.gz	BKXVZQJCOCKPHJ-ZETCQYMHSA-N	0	1	212.224	0.724	20	30		BCEDMN
CCC#C[C@H](C)N1CCN(C[C@H](C)O)CC1	ZINC000681699301	487842673	/nfs/dbraw/zinc/84/26/73/487842673.db2.gz	VFAHNRRCYQGOSU-STQMWFEESA-N	0	1	224.348	0.787	20	30		BCEDMN
CCC#C[C@@H](C)N[C@H]1C(=O)NCC1(C)C	ZINC000931651771	640301582	/nfs/dbraw/zinc/30/15/82/640301582.db2.gz	ARTATRNUOKJWTQ-ZJUUUORDSA-N	0	1	208.305	0.903	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000667181674	487954143	/nfs/dbraw/zinc/95/41/43/487954143.db2.gz	IRILXPYYRHESAG-JOYOIKCWSA-N	0	1	224.304	0.276	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000667181673	487955010	/nfs/dbraw/zinc/95/50/10/487955010.db2.gz	IRILXPYYRHESAG-CABZTGNLSA-N	0	1	224.304	0.276	20	30		BCEDMN
CC#CCN1CCN(CCC(=O)OC)C[C@H]1C	ZINC000245840393	323007664	/nfs/dbraw/zinc/00/76/64/323007664.db2.gz	CIBQIRFETIVKOW-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC[C@@H](OC)C1	ZINC000246128185	323008352	/nfs/dbraw/zinc/00/83/52/323008352.db2.gz	OLWVJAIRKLOUBB-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@@H]1CCCN1C1CC1	ZINC000562342817	323017155	/nfs/dbraw/zinc/01/71/55/323017155.db2.gz	TUQJZQPFHFSVCY-KOLCDFICSA-N	0	1	221.304	0.889	20	30		BCEDMN
N#CCC1(CNC(=O)NCCN2CCC2)CC1	ZINC000562387218	323019026	/nfs/dbraw/zinc/01/90/26/323019026.db2.gz	GOVMXGJEZNQONX-UHFFFAOYSA-N	0	1	236.319	0.685	20	30		BCEDMN
C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(C#N)ncn1	ZINC000562419600	323019362	/nfs/dbraw/zinc/01/93/62/323019362.db2.gz	NBBQTNICAYYNIM-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(c2cc(C#N)ncn2)[C@H](C)CN1C	ZINC000562419600	323019363	/nfs/dbraw/zinc/01/93/63/323019363.db2.gz	NBBQTNICAYYNIM-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#Cc1cnccc1NCC[N@H+]1CCCOCC1	ZINC000569720940	323038607	/nfs/dbraw/zinc/03/86/07/323038607.db2.gz	SJQSDVCRIZGOME-UHFFFAOYSA-N	0	1	246.314	0.509	20	30		BCEDMN
N#Cc1cnccc1NCCN1CCCOCC1	ZINC000569720940	323038608	/nfs/dbraw/zinc/03/86/08/323038608.db2.gz	SJQSDVCRIZGOME-UHFFFAOYSA-N	0	1	246.314	0.509	20	30		BCEDMN
CCOC[C@@H](O)CNCC1(C#N)CCC1	ZINC000563008369	323079614	/nfs/dbraw/zinc/07/96/14/323079614.db2.gz	WRJQKLUTXREODH-JTQLQIEISA-N	0	1	212.293	0.667	20	30		BCEDMN
CC#CCN1CCC[C@@]2(CNC(=O)O2)C1	ZINC000364801332	323085428	/nfs/dbraw/zinc/08/54/28/323085428.db2.gz	CVOSSAZBIQFQOQ-LLVKDONJSA-N	0	1	208.261	0.584	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCCN(C(C)=O)CC1	ZINC000677046780	487957413	/nfs/dbraw/zinc/95/74/13/487957413.db2.gz	JAWIXLNBCDMRDQ-LBPRGKRZSA-N	0	1	226.320	0.478	20	30		BCEDMN
COC[C@](C)(CCO)NCc1ccc(C#N)cn1	ZINC000563350632	323120006	/nfs/dbraw/zinc/12/00/06/323120006.db2.gz	PNOLCSAXOWVSOD-ZDUSSCGKSA-N	0	1	249.314	0.830	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCNC1=O	ZINC000563366322	323121427	/nfs/dbraw/zinc/12/14/27/323121427.db2.gz	PZWXUDWSXBRTQE-SECBINFHSA-N	0	1	210.281	0.293	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)Cc1cnc[nH]1	ZINC000563436137	323125427	/nfs/dbraw/zinc/12/54/27/323125427.db2.gz	UBKTWJGSCZMSPK-UHFFFAOYSA-N	0	1	229.305	0.747	20	30		BCEDMN
C[C@H](C#N)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000535726528	323189255	/nfs/dbraw/zinc/18/92/55/323189255.db2.gz	QMUVYRIAGCGSQM-RXMQYKEDSA-N	0	1	223.192	0.207	20	30		BCEDMN
Cc1ncc(C(=O)NC2(C#N)CCN(C)CC2)[nH]1	ZINC000535879188	323193729	/nfs/dbraw/zinc/19/37/29/323193729.db2.gz	HEFHZTTZERNYHR-UHFFFAOYSA-N	0	1	247.302	0.436	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCN(C)C[C@H]1CC	ZINC000563994824	323342550	/nfs/dbraw/zinc/34/25/50/323342550.db2.gz	SQTZCNVQAHVUAP-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)NC(=O)NCC(C)C	ZINC000121358698	324012037	/nfs/dbraw/zinc/01/20/37/324012037.db2.gz	FBMRKGDDCMEMID-SNVBAGLBSA-N	0	1	241.335	0.975	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)NCCc1nc[nH]n1	ZINC000572496636	324133345	/nfs/dbraw/zinc/13/33/45/324133345.db2.gz	RFETXBCEQMLCBE-UHFFFAOYSA-N	0	1	245.242	0.550	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CN1CCN(CC)CC1	ZINC000491778920	324161027	/nfs/dbraw/zinc/16/10/27/324161027.db2.gz	JHCWWVILCXISGZ-GFCCVEGCSA-N	0	1	237.347	0.104	20	30		BCEDMN
CNS(=O)(=O)[C@H]1CCN([C@H](C)CCC#N)C1	ZINC000572527665	324191053	/nfs/dbraw/zinc/19/10/53/324191053.db2.gz	HEQFAKVZZYUANF-ZJUUUORDSA-N	0	1	245.348	0.302	20	30		BCEDMN
C=CCONC(=O)N1CCNC[C@@H]1C(C)C	ZINC000529332982	324275163	/nfs/dbraw/zinc/27/51/63/324275163.db2.gz	UDMGTABQYAZZSF-SNVBAGLBSA-N	0	1	227.308	0.743	20	30		BCEDMN
N#CCC1CCN([C@H]2CCNC2=O)CC1	ZINC000541024782	324943351	/nfs/dbraw/zinc/94/33/51/324943351.db2.gz	QGHHLONRPUITGD-JTQLQIEISA-N	0	1	207.277	0.501	20	30		BCEDMN
CC#CCCNC(=O)CN1CCN(CC)CC1	ZINC000541748545	324977842	/nfs/dbraw/zinc/97/78/42/324977842.db2.gz	QLTWLPAGANSUBS-UHFFFAOYSA-N	0	1	237.347	0.154	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000541950319	325000936	/nfs/dbraw/zinc/00/09/36/325000936.db2.gz	ROKKEULYCLXSNF-RQJHMYQMSA-N	0	1	222.252	0.325	20	30		BCEDMN
C=CCCN1CCN(CC(=O)NC2CC2)CC1	ZINC000132387722	325213887	/nfs/dbraw/zinc/21/38/87/325213887.db2.gz	VVZFMRKDNBORQR-UHFFFAOYSA-N	0	1	237.347	0.459	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCc1cc(C)[nH]n1	ZINC000684761671	487968185	/nfs/dbraw/zinc/96/81/85/487968185.db2.gz	LMNDUSUXWLSUBE-UHFFFAOYSA-N	0	1	229.305	0.714	20	30		BCEDMN
C=CCNC(=O)c1conc1C(C)(C)N	ZINC000565215398	325876919	/nfs/dbraw/zinc/87/69/19/325876919.db2.gz	JTZOBYFLTIAUGF-UHFFFAOYSA-N	0	1	209.249	0.784	20	30		BCEDMN
CC(C)(C#N)CCN[C@@]1(C(N)=O)CCOC1	ZINC000566628302	326068947	/nfs/dbraw/zinc/06/89/47/326068947.db2.gz	LSWNPHMFPLKDGV-NSHDSACASA-N	0	1	225.292	0.160	20	30		BCEDMN
CC#CCNC(=O)c1ccc2[nH]nnc2c1	ZINC000154420076	326143486	/nfs/dbraw/zinc/14/34/86/326143486.db2.gz	VSGAGGWWLYDYQX-UHFFFAOYSA-N	0	1	214.228	0.711	20	30		BCEDMN
C=CCOCCC[N@H+](CC)CC(=O)[O-]	ZINC000568890202	326381557	/nfs/dbraw/zinc/38/15/57/326381557.db2.gz	JRSBLFHXKIRUPJ-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
COCC#CCN(C)CCOCCOC	ZINC000677523924	488065295	/nfs/dbraw/zinc/06/52/95/488065295.db2.gz	GUKRDJXGNKWJLB-UHFFFAOYSA-N	0	1	215.293	0.231	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@H](O)C2CC2)C1=O	ZINC000685002122	487489128	/nfs/dbraw/zinc/48/91/28/487489128.db2.gz	VYEZGJPLFONHHT-RYUDHWBXSA-N	0	1	238.331	0.476	20	30		BCEDMN
CC(C)N1CCN(c2cc(C#N)ncn2)CC1	ZINC000310327317	487502273	/nfs/dbraw/zinc/50/22/73/487502273.db2.gz	ZGGDTEMGFMYCCV-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(CCO)[C@H](C)C1	ZINC000681712289	487514442	/nfs/dbraw/zinc/51/44/42/487514442.db2.gz	SVZWPUWEBSYBRF-CHWSQXEVSA-N	0	1	224.348	0.787	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000683373072	488148320	/nfs/dbraw/zinc/14/83/20/488148320.db2.gz	IZCHXNKOWPKLJX-BDAKNGLRSA-N	0	1	239.237	0.923	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000683373074	488148339	/nfs/dbraw/zinc/14/83/39/488148339.db2.gz	IZCHXNKOWPKLJX-IUCAKERBSA-N	0	1	239.237	0.923	20	30		BCEDMN
C=CCOCCNC(=O)N1CCN[C@@H](C)C1	ZINC000669555385	488216698	/nfs/dbraw/zinc/21/66/98/488216698.db2.gz	UQUOITHHOUTEKC-JTQLQIEISA-N	0	1	227.308	0.192	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@@]2(CCO[C@H]2C)C1	ZINC000684211311	488277201	/nfs/dbraw/zinc/27/72/01/488277201.db2.gz	MGKOWGRMVJAJPV-AVGNSLFASA-N	0	1	241.331	0.803	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@]2(CCO[C@@H]2C)C1	ZINC000684211312	488277221	/nfs/dbraw/zinc/27/72/21/488277221.db2.gz	MGKOWGRMVJAJPV-FRRDWIJNSA-N	0	1	241.331	0.803	20	30		BCEDMN
COCC#CCN(CCO)[C@@H]1CCO[C@@H]1C	ZINC000684628327	488335784	/nfs/dbraw/zinc/33/57/84/488335784.db2.gz	JFYRXNWELVFQLM-VXGBXAGGSA-N	0	1	227.304	0.108	20	30		BCEDMN
CCc1nc([C@@H](C)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000595315659	490159412	/nfs/dbraw/zinc/15/94/12/490159412.db2.gz	BGTSTLPPYRJSBS-BDAKNGLRSA-N	0	1	235.291	0.652	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCC(C)(C)C#N	ZINC000335491826	490305235	/nfs/dbraw/zinc/30/52/35/490305235.db2.gz	NVYUAWOIAZGCAY-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
CN(CC#N)C(=O)CN1CCC(C)(C)C1	ZINC000594256887	491076192	/nfs/dbraw/zinc/07/61/92/491076192.db2.gz	XBRUCWCEZAMQIF-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
C[C@H](CN(C)C(=O)CCCC#N)c1nn[nH]n1	ZINC000487115526	534011620	/nfs/dbraw/zinc/01/16/20/534011620.db2.gz	IFPYXNCKCWJAIK-MRVPVSSYSA-N	0	1	236.279	0.455	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)c1[nH]nc2c1CCC2	ZINC000342161839	534395432	/nfs/dbraw/zinc/39/54/32/534395432.db2.gz	LVSMWXDJIAUWLW-VIFPVBQESA-N	0	1	249.314	0.813	20	30		BCEDMN
C=C(CC)CN1CC[C@H](NS(C)(=O)=O)C1	ZINC000358494881	534400295	/nfs/dbraw/zinc/40/02/95/534400295.db2.gz	GJSFFPFZACMAEL-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C=C(CC)CN1CC[C@@H](S(N)(=O)=O)C1	ZINC000358881623	534397240	/nfs/dbraw/zinc/39/72/40/534397240.db2.gz	ZJFGJRJGOPKYBK-SECBINFHSA-N	0	1	218.322	0.315	20	30		BCEDMN
C=C(CC)CN1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000358507060	534401068	/nfs/dbraw/zinc/40/10/68/534401068.db2.gz	KUAZJXHPLSIJAP-NXEZZACHSA-N	0	1	212.293	0.527	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000378481162	534447128	/nfs/dbraw/zinc/44/71/28/534447128.db2.gz	COJKQJBCXUIMRD-RQJHMYQMSA-N	0	1	226.667	0.777	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000378481159	534447293	/nfs/dbraw/zinc/44/72/93/534447293.db2.gz	COJKQJBCXUIMRD-BQBZGAKWSA-N	0	1	226.667	0.777	20	30		BCEDMN
C=C[C@@H](CO)NCc1cc(C(=O)OC)n(C)c1	ZINC000352472990	534540459	/nfs/dbraw/zinc/54/04/59/534540459.db2.gz	MZMZCFVZDDFHRC-JTQLQIEISA-N	0	1	238.287	0.448	20	30		BCEDMN
C=CCCC(=O)N1CCN([C@@H](CC)CO)CC1	ZINC000305176260	534605696	/nfs/dbraw/zinc/60/56/96/534605696.db2.gz	GFYWTFUOGACARO-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCCN1CCC1	ZINC000355345936	534627312	/nfs/dbraw/zinc/62/73/12/534627312.db2.gz	JQENYCXVHPMYMG-LLVKDONJSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000355118962	534630415	/nfs/dbraw/zinc/63/04/15/534630415.db2.gz	KLKMKDGUMXXPMB-NOZJJQNGSA-N	0	1	249.314	0.710	20	30		BCEDMN
C=CCN(CC)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000361034126	534820785	/nfs/dbraw/zinc/82/07/85/534820785.db2.gz	KPMHXMLHNRXLNB-RKDXNWHRSA-N	0	1	220.276	0.943	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000348764371	534868254	/nfs/dbraw/zinc/86/82/54/534868254.db2.gz	PUHTZJSPWLMRJX-LBPRGKRZSA-N	0	1	240.347	0.988	20	30		BCEDMN
C=CCOCCN(CCC)CC(=O)N(C)C	ZINC000293350248	534876922	/nfs/dbraw/zinc/87/69/22/534876922.db2.gz	DPFPFKUAOVVIFD-UHFFFAOYSA-N	0	1	228.336	0.989	20	30		BCEDMN
C=CCOCCN1CCC(O)(C(=O)OC)CC1	ZINC000293752643	534878479	/nfs/dbraw/zinc/87/84/79/534878479.db2.gz	IZCHGIWPAHKPIS-UHFFFAOYSA-N	0	1	243.303	0.189	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)CO1	ZINC000892498653	582898539	/nfs/dbraw/zinc/89/85/39/582898539.db2.gz	LJVZWTQIIPHHFJ-AEJSXWLSSA-N	0	1	238.287	0.645	20	30		BCEDMN
C=CCNC(=O)CNC/C=C/c1ccncc1	ZINC000487572749	526568650	/nfs/dbraw/zinc/56/86/50/526568650.db2.gz	MDLGBYVUKHXUEC-ONEGZZNKSA-N	0	1	231.299	0.987	20	30		BCEDMN
C#CCN(CCCS(=O)(=O)NC)C1CC1	ZINC000491765289	526900971	/nfs/dbraw/zinc/90/09/71/526900971.db2.gz	FLFTXKBSLBESBA-UHFFFAOYSA-N	0	1	230.333	0.023	20	30		BCEDMN
C#CCNC(=O)C1CCN(Cc2ccno2)CC1	ZINC000491067077	526970620	/nfs/dbraw/zinc/97/06/20/526970620.db2.gz	GIJWEIYQTMTYSD-UHFFFAOYSA-N	0	1	247.298	0.636	20	30		BCEDMN
C#CCNC(=O)CCNCc1cc(C)nc(C)n1	ZINC000491735274	526983743	/nfs/dbraw/zinc/98/37/43/526983743.db2.gz	JUUTXHNWTGOORU-UHFFFAOYSA-N	0	1	246.314	0.323	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(CCO)CC1	ZINC000401156868	527026332	/nfs/dbraw/zinc/02/63/32/527026332.db2.gz	RMCHUIYSBBDBPL-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
CCO/C=C\C(=O)NC1(C#N)CCN(C)CC1	ZINC000493188003	528519872	/nfs/dbraw/zinc/51/98/72/528519872.db2.gz	LDMIKNFYMARRJG-WTKPLQERSA-N	0	1	237.303	0.641	20	30		BCEDMN
CCOC(=O)C(C)(C)N(C)C(=O)C(C)C#N	ZINC000341513904	535552472	/nfs/dbraw/zinc/55/24/72/535552472.db2.gz	LTCOFJFWIRBCIZ-QMMMGPOBSA-N	0	1	226.276	0.946	20	30		BCEDMN
CCN1CCC[C@H](NS(=O)(=O)[C@H](C)C#N)C1	ZINC000250188626	535582992	/nfs/dbraw/zinc/58/29/92/535582992.db2.gz	ABOVDSSCWIIVIH-ZJUUUORDSA-N	0	1	245.348	0.302	20	30		BCEDMN
CCN(CCOC)CC(=O)N(CC)CCC#N	ZINC000353473684	535747864	/nfs/dbraw/zinc/74/78/64/535747864.db2.gz	TWLWARDCSGHCOO-UHFFFAOYSA-N	0	1	241.335	0.717	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000355028236	535970187	/nfs/dbraw/zinc/97/01/87/535970187.db2.gz	FCLLZFKAJJWVAR-VIFPVBQESA-N	0	1	234.263	0.245	20	30		BCEDMN
CCc1cnccc1[C@@H](C)NCC(=O)NCC#N	ZINC000361119684	536096058	/nfs/dbraw/zinc/09/60/58/536096058.db2.gz	LLMPAQWMAQAJBW-SNVBAGLBSA-N	0	1	246.314	0.934	20	30		BCEDMN
CNC(=O)[C@@H](C)CN(C)C[C@H](C#N)CCC#N	ZINC000177043163	536344719	/nfs/dbraw/zinc/34/47/19/536344719.db2.gz	VHSCISIHHAFASY-QWRGUYRKSA-N	0	1	236.319	0.744	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1nnc[nH]1	ZINC000853226220	588727324	/nfs/dbraw/zinc/72/73/24/588727324.db2.gz	UYMLUQZAHVPUAS-HLTSFMKQSA-N	0	1	237.259	1.000	20	30		BCEDMN
C#CCCN1CCN(c2ccc(C)nn2)CC1	ZINC000853234732	588727976	/nfs/dbraw/zinc/72/79/76/588727976.db2.gz	IVSYSNSKUTZGAZ-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C=CCCn1cc(CN=Nc2cnnn2C)nn1	ZINC000853352405	588737152	/nfs/dbraw/zinc/73/71/52/588737152.db2.gz	SFCJZCTUTDFOOT-UHFFFAOYSA-N	0	1	246.278	0.429	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000111253840	588737806	/nfs/dbraw/zinc/73/78/06/588737806.db2.gz	QDTKYOJKTHWIQS-UTLUCORTSA-N	0	1	240.303	0.330	20	30		BCEDMN
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CCCCCCCN1C[C@H](O)C[C@H]1C(N)=O	ZINC000854113156	588774900	/nfs/dbraw/zinc/77/49/00/588774900.db2.gz	KAYRRRQZBMEKJC-MNOVXSKESA-N	0	1	228.336	0.877	20	30		BCEDMN
C[C@H]1CCCCN1CC(N)=NOCCO	ZINC000111997837	588777955	/nfs/dbraw/zinc/77/79/55/588777955.db2.gz	HEEJNZJQPVERPC-VIFPVBQESA-N	0	1	215.297	0.142	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N(C)CC1CN(C)C1	ZINC000854219563	588779578	/nfs/dbraw/zinc/77/95/78/588779578.db2.gz	IKIZIGYTPKXZKT-VIFPVBQESA-N	0	1	227.308	0.696	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N(C)CC1CN(C)C1	ZINC000854219562	588780100	/nfs/dbraw/zinc/78/01/00/588780100.db2.gz	IKIZIGYTPKXZKT-SECBINFHSA-N	0	1	227.308	0.696	20	30		BCEDMN
C#CC(=O)N1CCC[C@@H](N2CCOCC2)CC1	ZINC000854332646	588784547	/nfs/dbraw/zinc/78/45/47/588784547.db2.gz	IHCPLZMWIWACKB-GFCCVEGCSA-N	0	1	236.315	0.333	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CC1	ZINC000854663055	588799908	/nfs/dbraw/zinc/79/99/08/588799908.db2.gz	UBTWLJKYQKELLY-UHFFFAOYSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)CCc1nc[nH]n1	ZINC000854698625	588803064	/nfs/dbraw/zinc/80/30/64/588803064.db2.gz	CJJDVGNXTXWFNQ-NSHDSACASA-N	0	1	220.276	0.655	20	30		BCEDMN
C=CCONC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000854853188	588813338	/nfs/dbraw/zinc/81/33/38/588813338.db2.gz	ZGKOLPSNRPOQKE-QMMMGPOBSA-N	0	1	221.260	0.748	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)C2(N(C)C)CC2)C1	ZINC000855047791	588821527	/nfs/dbraw/zinc/82/15/27/588821527.db2.gz	IZUNUYAAJZCQBR-NSHDSACASA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@H]2CCCc3[nH]ncc32)C1	ZINC000890522935	582463279	/nfs/dbraw/zinc/46/32/79/582463279.db2.gz	IPCQXZRUCDODHR-VIFPVBQESA-N	0	1	245.282	0.036	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000890548267	582470044	/nfs/dbraw/zinc/47/00/44/582470044.db2.gz	OQLQNBBYMJTGKL-MDZLAQPJSA-N	0	1	238.331	0.619	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1	ZINC000890655737	582494888	/nfs/dbraw/zinc/49/48/88/582494888.db2.gz	PXUPSIRDEVNSRD-SECBINFHSA-N	0	1	218.260	0.362	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)[C@@H](C)N(C)C	ZINC000890657757	582495419	/nfs/dbraw/zinc/49/54/19/582495419.db2.gz	WVGSIQAJODEUIN-MNOVXSKESA-N	0	1	208.305	0.951	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@H](CC)OC[C@@H]1C	ZINC000844391198	582581053	/nfs/dbraw/zinc/58/10/53/582581053.db2.gz	NVBAJOVHNVCXHD-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=CCCCC(=O)NCc1n[nH]c(COC)n1	ZINC000855519196	588838403	/nfs/dbraw/zinc/83/84/03/588838403.db2.gz	YGADJOGTNHNSPQ-UHFFFAOYSA-N	0	1	238.291	0.924	20	30		BCEDMN
C=CCCCC(=O)NCc1nnc(COC)[nH]1	ZINC000855519196	588838404	/nfs/dbraw/zinc/83/84/04/588838404.db2.gz	YGADJOGTNHNSPQ-UHFFFAOYSA-N	0	1	238.291	0.924	20	30		BCEDMN
C=C(C)CONC(=O)Cc1cc(C)[nH]n1	ZINC000846536601	582655599	/nfs/dbraw/zinc/65/55/99/582655599.db2.gz	RWEXLAHUBLMSRB-UHFFFAOYSA-N	0	1	209.249	0.885	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[N@H+](C)C(C)C	ZINC000846551441	582659089	/nfs/dbraw/zinc/65/90/89/582659089.db2.gz	STYJNOZGXNWVJF-VIFPVBQESA-N	0	1	200.282	0.949	20	30		BCEDMN
COC(=O)c1cc(C=NNC2=NC[C@H](C)N2)c[nH]1	ZINC000779791476	582730403	/nfs/dbraw/zinc/73/04/03/582730403.db2.gz	JNYRORUOVMRKKZ-ZETCQYMHSA-N	0	1	249.274	0.073	20	30		BCEDMN
C#CCCN1CCN(c2cc(=O)[nH]c(C)n2)CC1	ZINC000892314105	582837622	/nfs/dbraw/zinc/83/76/22/582837622.db2.gz	JHGCKXRNNGEXDT-UHFFFAOYSA-N	0	1	246.314	0.636	20	30		BCEDMN
C=CCCO[N-]C(=O)Cn1cc[nH+]c1C	ZINC000856027445	588855782	/nfs/dbraw/zinc/85/57/82/588855782.db2.gz	MPMHTSRKWFLKFD-UHFFFAOYSA-N	0	1	209.249	0.815	20	30		BCEDMN
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C=CCCONC(=O)CCc1cnc[nH]1	ZINC000856033403	588857254	/nfs/dbraw/zinc/85/72/54/588857254.db2.gz	FPBYZMOCOKOGLY-UHFFFAOYSA-N	0	1	209.249	0.966	20	30		BCEDMN
C#C[C@@H](NC(=O)CN(C)C)C1CCOCC1	ZINC000856113989	588860926	/nfs/dbraw/zinc/86/09/26/588860926.db2.gz	VGUJNROERQGCTF-LLVKDONJSA-N	0	1	224.304	0.093	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000892518228	582905578	/nfs/dbraw/zinc/90/55/78/582905578.db2.gz	MLROMLQOWKKEGC-LPEHRKFASA-N	0	1	220.272	0.877	20	30		BCEDMN
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C#C[C@@H](NCCn1ccccc1=O)[C@@H]1CCCO1	ZINC000775792004	583104451	/nfs/dbraw/zinc/10/44/51/583104451.db2.gz	PNGSUVCXERFBJB-OLZOCXBDSA-N	0	1	246.310	0.619	20	30		BCEDMN
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C#C[C@H](N[C@H](C)COC(C)=O)[C@@H]1CCCO1	ZINC000893677946	583195092	/nfs/dbraw/zinc/19/50/92/583195092.db2.gz	YJOICQIJAUALHW-USWWRNFRSA-N	0	1	225.288	0.708	20	30		BCEDMN
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CC#CC[C@@H](CO)NCc1ocnc1C	ZINC000895103547	583589201	/nfs/dbraw/zinc/58/92/01/583589201.db2.gz	XKROLWFKLHVDHM-JTQLQIEISA-N	0	1	208.261	0.847	20	30		BCEDMN
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C=C[C@H](CO)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2	ZINC000898986671	584168653	/nfs/dbraw/zinc/16/86/53/584168653.db2.gz	PIXAOIPZKDATAC-DTWKUNHWSA-N	0	1	249.314	0.811	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2cnccn2)C1=O	ZINC000899347266	584199297	/nfs/dbraw/zinc/19/92/97/584199297.db2.gz	OMTSTBYNKHKQIQ-VIFPVBQESA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2ccncn2)C1=O	ZINC000899349950	584203088	/nfs/dbraw/zinc/20/30/88/584203088.db2.gz	QBRYUFWVYNFRKL-VIFPVBQESA-N	0	1	214.228	0.839	20	30		BCEDMN
C[C@H](CC#N)N1N=C(c2ccnn2C)CC1=O	ZINC000899350237	584203467	/nfs/dbraw/zinc/20/34/67/584203467.db2.gz	XCMVAWRDNLHPNW-MRVPVSSYSA-N	0	1	231.259	0.659	20	30		BCEDMN
C#CC[C@@H]1C(=O)N(c2ncncc2F)N=C1C	ZINC000899351445	584204395	/nfs/dbraw/zinc/20/43/95/584204395.db2.gz	KLKMXLMHHXVRMZ-QMMMGPOBSA-N	0	1	232.218	0.978	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2nccnc2OC)C1=O	ZINC000899351464	584204476	/nfs/dbraw/zinc/20/44/76/584204476.db2.gz	KWLROEVNHFVZKE-SECBINFHSA-N	0	1	244.254	0.847	20	30		BCEDMN
C#CC[C@H]1C(=O)N(c2ncncc2F)N=C1C	ZINC000899351444	584204848	/nfs/dbraw/zinc/20/48/48/584204848.db2.gz	KLKMXLMHHXVRMZ-MRVPVSSYSA-N	0	1	232.218	0.978	20	30		BCEDMN
C=C(C)C[C@@H]1NC(=O)N(Cc2n[nH]c(C)n2)C1=O	ZINC000900150265	584280094	/nfs/dbraw/zinc/28/00/94/584280094.db2.gz	WZBJLAQCCVVLGX-QMMMGPOBSA-N	0	1	249.274	0.500	20	30		BCEDMN
CCN(CC#N)C(=O)c1c[nH]cc2ncnc1-2	ZINC000900361793	584295657	/nfs/dbraw/zinc/29/56/57/584295657.db2.gz	WNHMKDMZFPBGAB-UHFFFAOYSA-N	0	1	229.243	0.944	20	30		BCEDMN
C=C(Br)CNC(=O)Cc1cnc[nH]1	ZINC000900397005	584302595	/nfs/dbraw/zinc/30/25/95/584302595.db2.gz	DZQOIENSOXGEBI-UHFFFAOYSA-N	0	1	244.092	0.977	20	30		BCEDMN
CN(CC(=O)Nc1cnn(CC#N)c1)C1CCC1	ZINC000900439430	584310685	/nfs/dbraw/zinc/31/06/85/584310685.db2.gz	LMHGRFYVSRDUIP-UHFFFAOYSA-N	0	1	247.302	0.829	20	30		BCEDMN
CN(CC#N)C(=O)[C@@H]1CCN1C(C)(C)C	ZINC000900450540	584312312	/nfs/dbraw/zinc/31/23/12/584312312.db2.gz	AGKSYFHMKVZSPW-VIFPVBQESA-N	0	1	209.293	0.841	20	30		BCEDMN
N#CC1(NC(=O)c2cncc3nc[nH]c32)CC1	ZINC000900722849	584345276	/nfs/dbraw/zinc/34/52/76/584345276.db2.gz	KUIPFAOYLWNXGI-UHFFFAOYSA-N	0	1	227.227	0.744	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1	ZINC000900741044	584347464	/nfs/dbraw/zinc/34/74/64/584347464.db2.gz	GELUIWDERNCNOG-DGCLKSJQSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C(C)COCCNC(=O)c1[nH]ncc1F	ZINC000901081311	584381899	/nfs/dbraw/zinc/38/18/99/584381899.db2.gz	LONQAIMFPZRBIW-UHFFFAOYSA-N	0	1	227.239	0.871	20	30		BCEDMN
CCc1onc(C)c1C=NNC1=NC[C@@H](C)N1	ZINC000901215499	584401566	/nfs/dbraw/zinc/40/15/66/584401566.db2.gz	JXDSZDAUQGVYIO-SSDOTTSWSA-N	0	1	235.291	0.817	20	30		BCEDMN
Cc1nn(C(C)C)c(C)c1C=NNC1=NCCN1	ZINC000901252461	584410125	/nfs/dbraw/zinc/41/01/25/584410125.db2.gz	GLMZXYGHYGEHII-UHFFFAOYSA-N	0	1	248.334	0.964	20	30		BCEDMN
CC(=NOC1CCOCC1)c1c[nH]c(N)n1	ZINC000901222160	584410805	/nfs/dbraw/zinc/41/08/05/584410805.db2.gz	CMDADXAJDJQOIN-UHFFFAOYSA-N	0	1	224.264	0.912	20	30		BCEDMN
CC(=NN[C@@H]1CCCOC1)c1c[nH]c(N)n1	ZINC000901222964	584411193	/nfs/dbraw/zinc/41/11/93/584411193.db2.gz	WKZIMAHIWPUKGO-MRVPVSSYSA-N	0	1	223.280	0.485	20	30		BCEDMN
N#C[C@@H]1CSCCN1C(=O)Cc1c[nH]cn1	ZINC000901322989	584430279	/nfs/dbraw/zinc/43/02/79/584430279.db2.gz	MQMAQAVCFPOWHF-SECBINFHSA-N	0	1	236.300	0.420	20	30		BCEDMN
N#CCC[C@@H](C#N)CNC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC000901581272	584467244	/nfs/dbraw/zinc/46/72/44/584467244.db2.gz	GMUWZSKIGMQXPU-LOWDOPEQSA-N	0	1	249.314	0.823	20	30		BCEDMN
N#CCC[C@@H](C#N)CNC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000901581275	584467408	/nfs/dbraw/zinc/46/74/08/584467408.db2.gz	GMUWZSKIGMQXPU-RNJOBUHISA-N	0	1	249.314	0.823	20	30		BCEDMN
C=CC[C@H](CO)CN[C@@H](C)c1cn(C)nn1	ZINC000902894984	584690958	/nfs/dbraw/zinc/69/09/58/584690958.db2.gz	QSTDVRNWTPGFJP-UWVGGRQHSA-N	0	1	224.308	0.650	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@H](F)C1	ZINC000902992086	584710144	/nfs/dbraw/zinc/71/01/44/584710144.db2.gz	GUOQNCJAGPBHAZ-JTQLQIEISA-N	0	1	212.268	0.560	20	30		BCEDMN
C#CCCOC(=O)N1CCN2CCC1CC2	ZINC000859126291	589006127	/nfs/dbraw/zinc/00/61/27/589006127.db2.gz	HTCPQECNVUZRNQ-UHFFFAOYSA-N	0	1	222.288	0.926	20	30		BCEDMN
C[C@H](N[C@@H]1COCC[C@H]1O)c1cc(C#N)ccn1	ZINC000903082231	584724809	/nfs/dbraw/zinc/72/48/09/584724809.db2.gz	RKACRTCKXJUATG-ZWKOPEQDSA-N	0	1	247.298	0.754	20	30		BCEDMN
C#CCCOC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000859157876	589011237	/nfs/dbraw/zinc/01/12/37/589011237.db2.gz	RDJADCCBDVEQSZ-SSDOTTSWSA-N	0	1	222.248	0.924	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC[C@H]1CCOC1	ZINC000834479743	584913667	/nfs/dbraw/zinc/91/36/67/584913667.db2.gz	IACCWMVESMYHHY-HBNTYKKESA-N	0	1	237.303	0.031	20	30		BCEDMN
C#CCNC(=O)CN1CCC(n2cccn2)CC1	ZINC000731355678	584925446	/nfs/dbraw/zinc/92/54/46/584925446.db2.gz	NEGQFVUFUIYTEP-UHFFFAOYSA-N	0	1	246.314	0.269	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)OCCc1c[nH]nn1	ZINC000734332197	584960040	/nfs/dbraw/zinc/96/00/40/584960040.db2.gz	LCBRXXBUWWBECO-SECBINFHSA-N	0	1	239.275	0.872	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)OCCc1cnn[nH]1	ZINC000734332197	584960041	/nfs/dbraw/zinc/96/00/41/584960041.db2.gz	LCBRXXBUWWBECO-SECBINFHSA-N	0	1	239.275	0.872	20	30		BCEDMN
OCCNN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000814941946	584970211	/nfs/dbraw/zinc/97/02/11/584970211.db2.gz	ABFVOLXTQNPUAV-UHFFFAOYSA-N	0	1	231.259	0.388	20	30		BCEDMN
NC(=O)CON=Cc1cc(-c2ccccc2)[nH]n1	ZINC000771576098	585005122	/nfs/dbraw/zinc/00/51/22/585005122.db2.gz	QLBATTVOXYVHPH-UHFFFAOYSA-N	0	1	244.254	0.913	20	30		BCEDMN
CC#CCN(C)C(=O)NC[C@@H]1CCN1CC	ZINC000890062308	585016695	/nfs/dbraw/zinc/01/66/95/585016695.db2.gz	RBEZUBYBKKHNMN-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1	ZINC000823496734	585028195	/nfs/dbraw/zinc/02/81/95/585028195.db2.gz	OXBIXGFAJUQEME-QWRGUYRKSA-N	0	1	242.319	0.903	20	30		BCEDMN
C#CCCCNC(=O)NCc1n[nH]c(CC)n1	ZINC000838499635	585059108	/nfs/dbraw/zinc/05/91/08/585059108.db2.gz	PWIMHGLVUDKJPR-UHFFFAOYSA-N	0	1	235.291	0.580	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1	ZINC000838786075	585069889	/nfs/dbraw/zinc/06/98/89/585069889.db2.gz	FVZUZACNFAIKNB-CBAPKCEASA-N	0	1	208.261	0.877	20	30		BCEDMN
C#CCC(C)(C)C(=O)OCc1c[nH]nn1	ZINC000838899880	585079970	/nfs/dbraw/zinc/07/99/70/585079970.db2.gz	KRPDSBGBQXDBGD-UHFFFAOYSA-N	0	1	207.233	0.897	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839489958	585105464	/nfs/dbraw/zinc/10/54/64/585105464.db2.gz	XQSSSVBGWKWXOB-NQMVMOMDSA-N	0	1	225.248	0.706	20	30		BCEDMN
CCCN(C)CC(=O)Nc1cnn(CC#N)c1	ZINC000741208945	585111039	/nfs/dbraw/zinc/11/10/39/585111039.db2.gz	DRNDJIDFWXZUDZ-UHFFFAOYSA-N	0	1	235.291	0.687	20	30		BCEDMN
C#CCCN1CCN(c2ccnc(C)n2)CC1	ZINC000742398444	585125848	/nfs/dbraw/zinc/12/58/48/585125848.db2.gz	XPLPGYIDXZEDOJ-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C=CCNC(=O)[C@H](C#N)C(=O)C1=COCC1	ZINC000744028433	585142144	/nfs/dbraw/zinc/14/21/44/585142144.db2.gz	KEZHZVNBCKSWJQ-SECBINFHSA-N	0	1	220.228	0.302	20	30		BCEDMN
C=CCNC(=O)[C@@H](C#N)C(=O)C1=COCC1	ZINC000744028434	585142259	/nfs/dbraw/zinc/14/22/59/585142259.db2.gz	KEZHZVNBCKSWJQ-VIFPVBQESA-N	0	1	220.228	0.302	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCC1CCOCC1	ZINC000744035962	585142368	/nfs/dbraw/zinc/14/23/68/585142368.db2.gz	UUPFVWQLCSMAGG-JTQLQIEISA-N	0	1	238.287	0.648	20	30		BCEDMN
C#CCCCNC(=O)N[C@H]1CCC[N@H+](C)C1	ZINC000745717792	585160564	/nfs/dbraw/zinc/16/05/64/585160564.db2.gz	AQNBXHGWGZGKDC-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
COc1ccc(CNC(=O)CN(C)C)cc1C#N	ZINC000747613721	585181198	/nfs/dbraw/zinc/18/11/98/585181198.db2.gz	DJXLEXBUGNJTIA-UHFFFAOYSA-N	0	1	247.298	0.745	20	30		BCEDMN
Cc1cc(N=NCc2cnnn2C)nc(C)n1	ZINC000751130297	585224422	/nfs/dbraw/zinc/22/44/22/585224422.db2.gz	GVWDRYSBEBXXLO-UHFFFAOYSA-N	0	1	231.263	0.668	20	30		BCEDMN
Cc1ccc(NN=Cc2cnnn2C)nn1	ZINC000751132410	585224427	/nfs/dbraw/zinc/22/44/27/585224427.db2.gz	DATKJNMDJLNOQH-UHFFFAOYSA-N	0	1	217.236	0.360	20	30		BCEDMN
CN(C)c1nccc(N=NCc2cnnn2C)n1	ZINC000751134275	585224643	/nfs/dbraw/zinc/22/46/43/585224643.db2.gz	XAHSDGCKPWNHDW-UHFFFAOYSA-N	0	1	246.278	0.117	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ncccn1	ZINC000752159372	585243046	/nfs/dbraw/zinc/24/30/46/585243046.db2.gz	CNUMUZQHIGFBCL-MRVPVSSYSA-N	0	1	205.265	0.826	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1nccn(C)c1=O	ZINC000752169790	585243097	/nfs/dbraw/zinc/24/30/97/585243097.db2.gz	ZHMZKFVQBHNJPS-QMMMGPOBSA-N	0	1	235.291	0.130	20	30		BCEDMN
N#CCN(C(=O)CN1CCCC1)C1CC1	ZINC000753884995	585271606	/nfs/dbraw/zinc/27/16/06/585271606.db2.gz	MEJLHCQWIHBUML-UHFFFAOYSA-N	0	1	207.277	0.597	20	30		BCEDMN
C#CC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000753908173	585271928	/nfs/dbraw/zinc/27/19/28/585271928.db2.gz	XLGYMUSILGZXFN-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC(=O)NCCc1nc2ccc(F)cc2[nH]1	ZINC000754061462	585276798	/nfs/dbraw/zinc/27/67/98/585276798.db2.gz	NMMGVCZTKVNVOG-UHFFFAOYSA-N	0	1	231.230	0.994	20	30		BCEDMN
Cc1nc[nH]c1C=Nn1c(=S)[nH][nH]c1=S	ZINC000755607948	585302360	/nfs/dbraw/zinc/30/23/60/585302360.db2.gz	FBWLNGXGKCUWRW-UHFFFAOYSA-N	0	1	240.317	0.769	20	30		BCEDMN
CC(=O)CCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000755748664	585305792	/nfs/dbraw/zinc/30/57/92/585305792.db2.gz	KFTNPXJBLYCXRG-JTQLQIEISA-N	0	1	236.271	0.733	20	30		BCEDMN
COC[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000756234927	585316029	/nfs/dbraw/zinc/31/60/29/585316029.db2.gz	ZHVVEQLKRWEPDC-SCZZXKLOSA-N	0	1	238.287	0.646	20	30		BCEDMN
C=C(Cl)CN1CCN(C)C[C@H](C(=O)OC)C1	ZINC000839629942	585332648	/nfs/dbraw/zinc/33/26/48/585332648.db2.gz	DVZQWNJLTBPCIS-JTQLQIEISA-N	0	1	246.738	0.776	20	30		BCEDMN
COCCN(CCC#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839690218	585335383	/nfs/dbraw/zinc/33/53/83/585335383.db2.gz	URXCELKUNOCJSX-RKDXNWHRSA-N	0	1	241.247	0.040	20	30		BCEDMN
C=CCN(CCC#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839775765	585341187	/nfs/dbraw/zinc/34/11/87/585341187.db2.gz	GTGDQZXUUCFOJP-RKDXNWHRSA-N	0	1	223.232	0.580	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839778147	585341266	/nfs/dbraw/zinc/34/12/66/585341266.db2.gz	NNYQOTTZYJSZRU-HTQZYQBOSA-N	0	1	225.248	0.660	20	30		BCEDMN
C#CCNC(=S)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000758247846	585352889	/nfs/dbraw/zinc/35/28/89/585352889.db2.gz	SBTPFGJMWKUEBJ-WDEREUQCSA-N	0	1	239.388	0.909	20	30		BCEDMN
COC(C)(C)CN(C)CC(=O)NCCC#N	ZINC000758817074	585360103	/nfs/dbraw/zinc/36/01/03/585360103.db2.gz	RHBIQNQNDRYXNV-UHFFFAOYSA-N	0	1	227.308	0.373	20	30		BCEDMN
C#CCCN1CCCC[C@@H]1CNS(C)(=O)=O	ZINC000760816505	585397793	/nfs/dbraw/zinc/39/77/93/585397793.db2.gz	ULLCITYPGRCPCR-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C[C@H]1CC(N=Nc2ccc(C(N)=O)nn2)CN1C	ZINC000761816754	585419270	/nfs/dbraw/zinc/41/92/70/585419270.db2.gz	GNSGKNIZGUTQLX-ZETCQYMHSA-N	0	1	248.290	0.067	20	30		BCEDMN
C#CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1	ZINC000762249319	585429737	/nfs/dbraw/zinc/42/97/37/585429737.db2.gz	BLXLFAVRYKKFBM-UHFFFAOYSA-N	0	1	228.211	0.234	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000764755944	585472758	/nfs/dbraw/zinc/47/27/58/585472758.db2.gz	JXXGYRRLTYMRTI-OUJBWJOFSA-N	0	1	248.282	0.400	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2CCCCN2C)=NO1	ZINC000765372727	585484395	/nfs/dbraw/zinc/48/43/95/585484395.db2.gz	NHQWCNCCFICPRE-IUCAKERBSA-N	0	1	225.292	0.709	20	30		BCEDMN
CCN(CC(=O)NC1=NO[C@@H](C)C1)C1CC1	ZINC000765371526	585484560	/nfs/dbraw/zinc/48/45/60/585484560.db2.gz	FOBINUWOJFDDEH-QMMMGPOBSA-N	0	1	225.292	0.709	20	30		BCEDMN
C#CCCCN1CCN(CC(=O)NCC=C)CC1	ZINC000766895309	585509491	/nfs/dbraw/zinc/50/94/91/585509491.db2.gz	DRCOATDWXGOAMV-UHFFFAOYSA-N	0	1	249.358	0.320	20	30		BCEDMN
CN1C(=O)CN(N=C2CCN3CCC[C@H]23)C1=O	ZINC000768378183	585537505	/nfs/dbraw/zinc/53/75/05/585537505.db2.gz	GSMIPBORRDNORT-SECBINFHSA-N	0	1	236.275	0.105	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCCC2(C1)OCCO2	ZINC000770264394	585572520	/nfs/dbraw/zinc/57/25/20/585572520.db2.gz	WGPUUBKTDUNHEG-NSHDSACASA-N	0	1	227.304	0.762	20	30		BCEDMN
COc1nc(C(=O)OCCCC#N)cc(=O)[nH]1	ZINC000770511959	585575043	/nfs/dbraw/zinc/57/50/43/585575043.db2.gz	UBWVSVGAESJSQW-UHFFFAOYSA-N	0	1	237.215	0.651	20	30		BCEDMN
NC(=O)CON=Cc1cc(-c2cccnc2)[nH]n1	ZINC000771574224	585596934	/nfs/dbraw/zinc/59/69/34/585596934.db2.gz	CJPWXPZSMZOYQJ-UHFFFAOYSA-N	0	1	245.242	0.308	20	30		BCEDMN
C#CCCNc1cc(-n2cccn2)nc(N)n1	ZINC000771660776	585598612	/nfs/dbraw/zinc/59/86/12/585598612.db2.gz	DPGFWGIHOUALAZ-UHFFFAOYSA-N	0	1	228.259	0.680	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@H](C)CO)CC1	ZINC000772112897	585608701	/nfs/dbraw/zinc/60/87/01/585608701.db2.gz	BYFSAKYDUJJJGR-LLVKDONJSA-N	0	1	239.315	0.503	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCOCC	ZINC000772701899	585621135	/nfs/dbraw/zinc/62/11/35/585621135.db2.gz	VNNYWYCMZUGLAW-NSHDSACASA-N	0	1	240.303	0.168	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1(F)CCCC1	ZINC000773981250	585647741	/nfs/dbraw/zinc/64/77/41/585647741.db2.gz	BKXVZQJCOCKPHJ-SSDOTTSWSA-N	0	1	212.224	0.724	20	30		BCEDMN
COC1(C)CCN(CC(=O)NCCC#N)CC1	ZINC000775556093	585679439	/nfs/dbraw/zinc/67/94/39/585679439.db2.gz	DPRORZUBAFBSQJ-UHFFFAOYSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NC1CC1)[C@H]1CCCO1	ZINC000775784278	585684676	/nfs/dbraw/zinc/68/46/76/585684676.db2.gz	HKSBBQNYYAIVDA-ADEWGFFLSA-N	0	1	236.315	0.424	20	30		BCEDMN
C#C[C@@H](NCc1n[nH]c(CC)n1)[C@@H]1CCCO1	ZINC000775790607	585684813	/nfs/dbraw/zinc/68/48/13/585684813.db2.gz	QIZYKWXLKMWLIN-ZJUUUORDSA-N	0	1	234.303	0.638	20	30		BCEDMN
C#C[C@H](N[C@H]1CCCN(C)C1=O)[C@H]1CCCO1	ZINC000775801198	585685507	/nfs/dbraw/zinc/68/55/07/585685507.db2.gz	WRJORBDMMWAUDM-SDDRHHMPSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCCN1CCN(Cc2ncc(C)cn2)CC1	ZINC000776594487	585702095	/nfs/dbraw/zinc/70/20/95/585702095.db2.gz	JDTFVSPXIPBVJP-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(F)nc2)N1	ZINC000777443449	585712238	/nfs/dbraw/zinc/71/22/38/585712238.db2.gz	VOQHLYJJWAVZLJ-ZETCQYMHSA-N	0	1	221.239	0.492	20	30		BCEDMN
Cc1nc[nH]c1C=NN1CCCNC1=O	ZINC000777898546	585723137	/nfs/dbraw/zinc/72/31/37/585723137.db2.gz	PEPHGAINAFZRNA-UHFFFAOYSA-N	0	1	207.237	0.467	20	30		BCEDMN
CC(C#N)C(=O)N1CCC[C@@]12CCOC2=O	ZINC000779260178	585748766	/nfs/dbraw/zinc/74/87/66/585748766.db2.gz	VCTKSQMXFNHWDD-KWQFWETISA-N	0	1	222.244	0.454	20	30		BCEDMN
CCONC(=O)Cc1noc(C)c1C#N	ZINC000779385888	585753169	/nfs/dbraw/zinc/75/31/69/585753169.db2.gz	VXMVYBJHPZPFES-UHFFFAOYSA-N	0	1	209.205	0.465	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2c[nH]c3ncccc23)N1	ZINC000779791184	585763841	/nfs/dbraw/zinc/76/38/41/585763841.db2.gz	GRLQIOCSVWVJCQ-MRVPVSSYSA-N	0	1	242.286	0.834	20	30		BCEDMN
CCn1ccnc1C=NNC1=NC[C@@H](C)N1	ZINC000779793312	585764178	/nfs/dbraw/zinc/76/41/78/585764178.db2.gz	ZROPSVAVPKHRTI-MRVPVSSYSA-N	0	1	220.280	0.174	20	30		BCEDMN
Cc1ncc(C=NNC2=NC[C@@H](C)N2)s1	ZINC000779795499	585764242	/nfs/dbraw/zinc/76/42/42/585764242.db2.gz	VBSZPPRAMOYVMK-ZCFIWIBFSA-N	0	1	223.305	0.723	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cncc(F)c1	ZINC000779794254	585764491	/nfs/dbraw/zinc/76/44/91/585764491.db2.gz	FPBAMAQVUMYIME-SSDOTTSWSA-N	0	1	235.266	0.882	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc3nccn32)N1	ZINC000779800452	585764739	/nfs/dbraw/zinc/76/47/39/585764739.db2.gz	NLZHFBDVUWPPPY-SECBINFHSA-N	0	1	242.286	0.606	20	30		BCEDMN
CCc1cc(CNC(=O)NC[C@@H](C)C#N)n[nH]1	ZINC000781938555	585805780	/nfs/dbraw/zinc/80/57/80/585805780.db2.gz	FMEUNEDYSXGJQW-QMMMGPOBSA-N	0	1	235.291	0.931	20	30		BCEDMN
O=C(NO)c1nnc2ccccc2c1O	ZINC000782172828	585809424	/nfs/dbraw/zinc/80/94/24/585809424.db2.gz	BUIDFGIHOIDYHZ-UHFFFAOYSA-N	0	1	205.173	0.454	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(F)(F)C2)CC1	ZINC000782853251	585824950	/nfs/dbraw/zinc/82/49/50/585824950.db2.gz	CIBOTEIWYNAZDK-UHFFFAOYSA-N	0	1	242.269	0.809	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCc1ccc(C#N)cn1	ZINC000785419272	585872932	/nfs/dbraw/zinc/87/29/32/585872932.db2.gz	AYSKWSZFJGZXDQ-LBPRGKRZSA-N	0	1	244.298	0.664	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NCc1ccc(C#N)cn1	ZINC000785419271	585873121	/nfs/dbraw/zinc/87/31/21/585873121.db2.gz	AYSKWSZFJGZXDQ-GFCCVEGCSA-N	0	1	244.298	0.664	20	30		BCEDMN
C=CCCN(C)CN1CC(=O)N(CC)C1=O	ZINC000786101803	585887378	/nfs/dbraw/zinc/88/73/78/585887378.db2.gz	JTPWHKHGVAZTKG-UHFFFAOYSA-N	0	1	225.292	0.736	20	30		BCEDMN
CC(C)(C#N)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000786307401	585889478	/nfs/dbraw/zinc/88/94/78/585889478.db2.gz	MZYPXACKCUYEOX-VIFPVBQESA-N	0	1	233.271	0.914	20	30		BCEDMN
COC(C)(C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000786305368	585889502	/nfs/dbraw/zinc/88/95/02/585889502.db2.gz	DNYXCRMPTGHUKN-VIFPVBQESA-N	0	1	238.287	0.789	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@H]2CCCN2C2CC2)=NO1	ZINC000787477358	585910015	/nfs/dbraw/zinc/91/00/15/585910015.db2.gz	CSMGPGYRNGRFHX-WCBMZHEXSA-N	0	1	237.303	0.852	20	30		BCEDMN
C[C@@H]1CC(N=N[C@H]2CCOC2)CN1C1CC1	ZINC000788449223	585924237	/nfs/dbraw/zinc/92/42/37/585924237.db2.gz	WZXPRMSPKFUWGW-ZJUUUORDSA-N	0	1	223.320	0.978	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccccc2C(N)=O)N1	ZINC000788725622	585929498	/nfs/dbraw/zinc/92/94/98/585929498.db2.gz	KPVREQDTMAXNEK-QMMMGPOBSA-N	0	1	245.286	0.057	20	30		BCEDMN
N#CC1(C(=O)Nc2c[nH]nn2)CCCC1	ZINC000789928479	585952333	/nfs/dbraw/zinc/95/23/33/585952333.db2.gz	ZPYJJEAYXIZRRW-UHFFFAOYSA-N	0	1	205.221	0.827	20	30		BCEDMN
C#CCN(C(=O)c1[nH]nnc1C)C1CC1	ZINC000790022378	585956221	/nfs/dbraw/zinc/95/62/21/585956221.db2.gz	HPYJTJJWFYWDJU-UHFFFAOYSA-N	0	1	204.233	0.351	20	30		BCEDMN
CC#CC(=O)NC[C@H]1CN(CC(C)C)CCO1	ZINC000791199235	585975040	/nfs/dbraw/zinc/97/50/40/585975040.db2.gz	IMSVYFVOTDMLJF-LBPRGKRZSA-N	0	1	238.331	0.483	20	30		BCEDMN
C=C(CN(C)C)C(=O)NCC(=O)C1CC1	ZINC000791391553	585980116	/nfs/dbraw/zinc/98/01/16/585980116.db2.gz	JEYQYNFVGOVZTK-UHFFFAOYSA-N	0	1	210.277	0.200	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(C)(F)C2)CC1	ZINC000792522318	586001373	/nfs/dbraw/zinc/00/13/73/586001373.db2.gz	ARTPEYIGFDCKEB-UHFFFAOYSA-N	0	1	238.306	0.902	20	30		BCEDMN
CC[C@H](NN=C1C[N@@H+](C2CC2)C[C@H]1C)C(=O)[O-]	ZINC000793055735	586009182	/nfs/dbraw/zinc/00/91/82/586009182.db2.gz	OOWUYWIPBGAMKW-SCZZXKLOSA-N	0	1	239.319	0.909	20	30		BCEDMN
CC[C@H](NN=C1C[N@H+](C2CC2)C[C@H]1C)C(=O)[O-]	ZINC000793055735	586009183	/nfs/dbraw/zinc/00/91/83/586009183.db2.gz	OOWUYWIPBGAMKW-SCZZXKLOSA-N	0	1	239.319	0.909	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)c1ncn[nH]1	ZINC000794162209	586033833	/nfs/dbraw/zinc/03/38/33/586033833.db2.gz	QSRFFCZGVDRJTB-VIFPVBQESA-N	0	1	205.221	0.227	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)c1nc[nH]n1	ZINC000794162209	586033834	/nfs/dbraw/zinc/03/38/34/586033834.db2.gz	QSRFFCZGVDRJTB-VIFPVBQESA-N	0	1	205.221	0.227	20	30		BCEDMN
COCCCON=C1CN(C)C[C@@H]1C	ZINC000795041665	586066348	/nfs/dbraw/zinc/06/63/48/586066348.db2.gz	FOMQTKCZWSIBJE-VIFPVBQESA-N	0	1	200.282	0.977	20	30		BCEDMN
C=CCOCCCOC(=O)CCc1nc[nH]n1	ZINC000795548075	586084996	/nfs/dbraw/zinc/08/49/96/586084996.db2.gz	URNUEXRJBJQBGJ-UHFFFAOYSA-N	0	1	239.275	0.873	20	30		BCEDMN
CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NC	ZINC000796644636	586109287	/nfs/dbraw/zinc/10/92/87/586109287.db2.gz	XOJIZHVGHFXYIE-QXFUBDJGSA-N	0	1	226.276	0.502	20	30		BCEDMN
C#CCOCCC(=O)NC1(c2nnc[nH]2)CCC1	ZINC000797758028	586130767	/nfs/dbraw/zinc/13/07/67/586130767.db2.gz	MXVAQIULIGKMAY-UHFFFAOYSA-N	0	1	248.286	0.340	20	30		BCEDMN
C#CCOCCOC(=O)[C@@H](C(C)C)N(C)C	ZINC000798840536	586151042	/nfs/dbraw/zinc/15/10/42/586151042.db2.gz	BTTFNEQQFVLYKB-LLVKDONJSA-N	0	1	227.304	0.766	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2	ZINC000799075469	586155720	/nfs/dbraw/zinc/15/57/20/586155720.db2.gz	KMONFBUNNJOZCJ-SECBINFHSA-N	0	1	247.298	0.403	20	30		BCEDMN
C#C[C@H](N[C@H]1CCN(CC=C)C1=O)[C@@H]1CCCO1	ZINC000799167418	586163348	/nfs/dbraw/zinc/16/33/48/586163348.db2.gz	XVYXCPICBJIIMR-AVGNSLFASA-N	0	1	248.326	0.544	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCN(CC=C)C1=O)[C@@H]1CCCO1	ZINC000799167420	586163350	/nfs/dbraw/zinc/16/33/50/586163350.db2.gz	XVYXCPICBJIIMR-XQQFMLRXSA-N	0	1	248.326	0.544	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCc1cnns1	ZINC000859324954	589031484	/nfs/dbraw/zinc/03/14/84/589031484.db2.gz	PWNUFKVEXLHJHB-BDAKNGLRSA-N	0	1	211.290	0.971	20	30		BCEDMN
FC(F)(F)c1cc(C=Nn2cnnc2)[nH]n1	ZINC000799463937	586177685	/nfs/dbraw/zinc/17/76/85/586177685.db2.gz	NHTDZIMBQVCIHX-UHFFFAOYSA-N	0	1	230.153	0.902	20	30		BCEDMN
CC#CC(=O)Nc1cc(C(=O)OCC)[nH]n1	ZINC000801183801	586246145	/nfs/dbraw/zinc/24/61/45/586246145.db2.gz	YCRGILHNZBMBMU-UHFFFAOYSA-N	0	1	221.216	0.548	20	30		BCEDMN
C[C@H](C#N)OCCN(C)[C@H]1CCCCNC1=O	ZINC000801917748	586276389	/nfs/dbraw/zinc/27/63/89/586276389.db2.gz	NRPBVEMUVQVARV-MNOVXSKESA-N	0	1	239.319	0.516	20	30		BCEDMN
COCC#CCOC(=O)[C@H](C(C)C)N(C)C	ZINC000803495359	586360747	/nfs/dbraw/zinc/36/07/47/586360747.db2.gz	OHXNRPHCANPELV-NSHDSACASA-N	0	1	227.304	0.766	20	30		BCEDMN
C=C(CO)C(=O)N1CCC(c2cn[nH]c2C)CC1	ZINC000803639569	586368270	/nfs/dbraw/zinc/36/82/70/586368270.db2.gz	HBZIPLOGJMBKKI-UHFFFAOYSA-N	0	1	249.314	0.973	20	30		BCEDMN
C#Cc1cncc(C(=O)NCc2nnc[nH]2)c1	ZINC000806540810	586413683	/nfs/dbraw/zinc/41/36/83/586413683.db2.gz	AQXWHYJEGUIRSR-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
N#Cc1cnn(C(=O)CCc2cnc[nH]2)c1N	ZINC000806593233	586415403	/nfs/dbraw/zinc/41/54/03/586415403.db2.gz	BIBOCJJMZWHYKX-UHFFFAOYSA-N	0	1	230.231	0.333	20	30		BCEDMN
C#Cc1cncc(C(=O)NCc2cnc[nH]2)c1	ZINC000806897398	586420465	/nfs/dbraw/zinc/42/04/65/586420465.db2.gz	JNVJXDWCFRXYGO-UHFFFAOYSA-N	0	1	226.239	0.716	20	30		BCEDMN
C#CCC(CC#C)C(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000807755422	586448975	/nfs/dbraw/zinc/44/89/75/586448975.db2.gz	XQDSTYOWNOLEAT-SECBINFHSA-N	0	1	244.298	0.953	20	30		BCEDMN
CCN1C[C@@H](C)N(C(=O)C=NOC)C[C@@H]1C	ZINC000809740570	586516094	/nfs/dbraw/zinc/51/60/94/586516094.db2.gz	DQPDSLVFHBHVDK-VHSXEESVSA-N	0	1	227.308	0.560	20	30		BCEDMN
C#CCC(C)(C)C(=O)OCCc1c[nH]nn1	ZINC000810595889	586541902	/nfs/dbraw/zinc/54/19/02/586541902.db2.gz	NDZZJEFITUUOQV-UHFFFAOYSA-N	0	1	221.260	0.940	20	30		BCEDMN
C#CCC(C)(C)C(=O)OCCc1cnn[nH]1	ZINC000810595889	586541903	/nfs/dbraw/zinc/54/19/03/586541903.db2.gz	NDZZJEFITUUOQV-UHFFFAOYSA-N	0	1	221.260	0.940	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840310530	586611729	/nfs/dbraw/zinc/61/17/29/586611729.db2.gz	KXMJWQRMBDQASR-IWSPIJDZSA-N	0	1	225.248	0.706	20	30		BCEDMN
COc1cccc(NN=Cc2cn(C)[nH]c2=O)n1	ZINC000814226846	586618309	/nfs/dbraw/zinc/61/83/09/586618309.db2.gz	LBZQTDUYWKNKOK-UHFFFAOYSA-N	0	1	247.258	0.975	20	30		BCEDMN
Cc1ccc(NN=Cc2cnn(C)n2)nc1	ZINC000814831784	586637546	/nfs/dbraw/zinc/63/75/46/586637546.db2.gz	QUGUCDHLLZRWIL-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
CCc1nocc1C=NNC1=NC[C@H](C)N1	ZINC000814897329	586645288	/nfs/dbraw/zinc/64/52/88/586645288.db2.gz	HRCSSXGWSICZMA-ZETCQYMHSA-N	0	1	221.264	0.508	20	30		BCEDMN
CCN(C)c1ccc(C=NNCCO)cn1	ZINC000814943415	586657405	/nfs/dbraw/zinc/65/74/05/586657405.db2.gz	FDNHMDGSVSKBLK-UHFFFAOYSA-N	0	1	222.292	0.454	20	30		BCEDMN
COC(=O)c1cc(CN=Nc2cnnn2C)c[nH]1	ZINC000814980675	586662667	/nfs/dbraw/zinc/66/26/67/586662667.db2.gz	IIZTXVLCDHXPRH-UHFFFAOYSA-N	0	1	248.246	0.376	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F	ZINC000815912094	586697030	/nfs/dbraw/zinc/69/70/30/586697030.db2.gz	YZVMRYZBVGSKEZ-WDSKDSINSA-N	0	1	218.203	0.733	20	30		BCEDMN
N#CC1(CC(=O)OCCc2c[nH]nn2)CC1	ZINC000815961513	586699818	/nfs/dbraw/zinc/69/98/18/586699818.db2.gz	RHWSGAGHQMRXQM-UHFFFAOYSA-N	0	1	220.232	0.584	20	30		BCEDMN
N#CC1(CC(=O)OCCc2cnn[nH]2)CC1	ZINC000815961513	586699820	/nfs/dbraw/zinc/69/98/20/586699820.db2.gz	RHWSGAGHQMRXQM-UHFFFAOYSA-N	0	1	220.232	0.584	20	30		BCEDMN
C#CCC(CC#C)C(=O)[N-]OC1CC[NH+](C)CC1	ZINC000816533077	586739149	/nfs/dbraw/zinc/73/91/49/586739149.db2.gz	IBQAQYPEVSRORQ-UHFFFAOYSA-N	0	1	248.326	0.791	20	30		BCEDMN
NC(=O)CNN=C1CCCCc2ccc(N)cc21	ZINC000817326739	586794591	/nfs/dbraw/zinc/79/45/91/586794591.db2.gz	VFULNTHIAZKEQA-UHFFFAOYSA-N	0	1	246.314	0.774	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817680997	586817715	/nfs/dbraw/zinc/81/77/15/586817715.db2.gz	BNUUEQDRVNQCEW-VHSXEESVSA-N	0	1	213.277	0.720	20	30		BCEDMN
C#C[C@H](NC[C@@H](C)S(C)(=O)=O)[C@H]1CCCO1	ZINC000819242087	586940540	/nfs/dbraw/zinc/94/05/40/586940540.db2.gz	JKLLPOCZNIUKIK-OUAUKWLOSA-N	0	1	245.344	0.190	20	30		BCEDMN
C=C(C)C(C)(C)C(=O)NOCC(N)=O	ZINC000819460895	586966230	/nfs/dbraw/zinc/96/62/30/586966230.db2.gz	DTIASYDUAVAMSW-UHFFFAOYSA-N	0	1	200.238	0.122	20	30		BCEDMN
C=C(C)C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819706185	586987322	/nfs/dbraw/zinc/98/73/22/586987322.db2.gz	QISJQUGLNMIAIK-VIFPVBQESA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CCC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819713632	586988147	/nfs/dbraw/zinc/98/81/47/586988147.db2.gz	YZXMUPRFTFWEQP-VIFPVBQESA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819713315	586988163	/nfs/dbraw/zinc/98/81/63/586988163.db2.gz	HUCCENXOFHJXCU-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
CC(C)n1cncc1C=NNC1=NC[C@@H](C)N1	ZINC000819813036	586997767	/nfs/dbraw/zinc/99/77/67/586997767.db2.gz	RQOOOBBLINIMSU-SECBINFHSA-N	0	1	234.307	0.735	20	30		BCEDMN
C#CC(C)(C)NC(=O)[C@@H]1CCCCN1C	ZINC000819971981	587009614	/nfs/dbraw/zinc/00/96/14/587009614.db2.gz	SYVGZGQFQUBKHA-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C[C@@H]1C[N@@H+](C2CC2)CC1=NNCCC(=O)[O-]	ZINC000820245652	587038168	/nfs/dbraw/zinc/03/81/68/587038168.db2.gz	PKGFXUVEEJVTQR-MRVPVSSYSA-N	0	1	225.292	0.521	20	30		BCEDMN
C[C@@H]1C[N@H+](C2CC2)CC1=NNCCC(=O)[O-]	ZINC000820245652	587038170	/nfs/dbraw/zinc/03/81/70/587038170.db2.gz	PKGFXUVEEJVTQR-MRVPVSSYSA-N	0	1	225.292	0.521	20	30		BCEDMN
CC(C)[N@@H+]1CC(=NNCCC(=O)[O-])[C@@H](C)C1	ZINC000820245518	587038388	/nfs/dbraw/zinc/03/83/88/587038388.db2.gz	NVWMHWHLWSVUIX-VIFPVBQESA-N	0	1	227.308	0.767	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000820653917	587062615	/nfs/dbraw/zinc/06/26/15/587062615.db2.gz	CMLTZTFBYJZXPM-DTWKUNHWSA-N	0	1	235.291	0.967	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NCCCc1nc[nH]n1	ZINC000820667268	587064728	/nfs/dbraw/zinc/06/47/28/587064728.db2.gz	UAJDCXGRFJHKNU-SNVBAGLBSA-N	0	1	249.318	0.838	20	30		BCEDMN
C#CCN1CCC(c2nc(N)n[nH]2)CC1	ZINC000821269578	587104802	/nfs/dbraw/zinc/10/48/02/587104802.db2.gz	FKJAJCPBPXVDNZ-UHFFFAOYSA-N	0	1	205.265	0.200	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cnc(Cl)n2C)=NO1	ZINC000821399220	587117248	/nfs/dbraw/zinc/11/72/48/587117248.db2.gz	ARFSJSPFNIRWLN-RXMQYKEDSA-N	0	1	242.666	0.926	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000821567145	587129130	/nfs/dbraw/zinc/12/91/30/587129130.db2.gz	GGDXAYXLFRWTST-SFYZADRCSA-N	0	1	221.264	0.577	20	30		BCEDMN
C#C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCO1	ZINC000822072847	587150925	/nfs/dbraw/zinc/15/09/25/587150925.db2.gz	NHFKYSMEEIWDKY-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
CC1(C#N)CN(C(=O)CN2CCCC2)C1	ZINC000822616981	587177855	/nfs/dbraw/zinc/17/78/55/587177855.db2.gz	NNOGXXOYTFZULV-UHFFFAOYSA-N	0	1	207.277	0.454	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822681222	587180707	/nfs/dbraw/zinc/18/07/07/587180707.db2.gz	YCJCFEKJGPOTFN-HBNTYKKESA-N	0	1	247.298	0.404	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000823132805	587204349	/nfs/dbraw/zinc/20/43/49/587204349.db2.gz	IMSRTFYCMKWVCB-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCCc1noc(C[C@H]2COCCN2)n1	ZINC000823263137	587212467	/nfs/dbraw/zinc/21/24/67/587212467.db2.gz	DCIBYCSBCMUVBC-VIFPVBQESA-N	0	1	223.276	0.719	20	30		BCEDMN
C=CCCc1noc([C@H]2CNCCO2)n1	ZINC000823263365	587212503	/nfs/dbraw/zinc/21/25/03/587212503.db2.gz	HMQLHNJPEWMWKL-MRVPVSSYSA-N	0	1	209.249	0.849	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCCN(C(=O)[O-])CC1	ZINC000823495925	587226981	/nfs/dbraw/zinc/22/69/81/587226981.db2.gz	ANTHCNSMXJLAKO-LLVKDONJSA-N	0	1	242.319	0.999	20	30		BCEDMN
O=C(C#CC1CC1)N1CCC(c2nc[nH]n2)CC1	ZINC000824831142	587289133	/nfs/dbraw/zinc/28/91/33/587289133.db2.gz	NCORLJFBSDIYQD-UHFFFAOYSA-N	0	1	244.298	0.924	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@@H+]1C(C)C	ZINC000825136971	587306576	/nfs/dbraw/zinc/30/65/76/587306576.db2.gz	IGJYOTZIQXPFKE-SNVBAGLBSA-N	0	1	210.277	0.540	20	30		BCEDMN
C#CC[N@H+](CCC(=O)[O-])C1CCOCC1	ZINC000825614152	587327867	/nfs/dbraw/zinc/32/78/67/587327867.db2.gz	HFJKWOKDACAGBL-UHFFFAOYSA-N	0	1	211.261	0.575	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825665096	587330440	/nfs/dbraw/zinc/33/04/40/587330440.db2.gz	UHARZZZGUSGJNP-GHMZBOCLSA-N	0	1	243.303	0.489	20	30		BCEDMN
C#Cc1cnc(N2CCN(CCC)CC2)nc1	ZINC000827287486	587375506	/nfs/dbraw/zinc/37/55/06/587375506.db2.gz	LFXDBAWNWKSTIW-UHFFFAOYSA-N	0	1	230.315	0.990	20	30		BCEDMN
C=C[C@H](CC)CC(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000827528771	587385915	/nfs/dbraw/zinc/38/59/15/587385915.db2.gz	QJUABPKYZLATLC-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCN(C)CC1(C)C	ZINC000828145671	587421434	/nfs/dbraw/zinc/42/14/34/587421434.db2.gz	QSUSMHKGAGSTDO-NSHDSACASA-N	0	1	238.331	0.577	20	30		BCEDMN
C#C[C@@H](NCc1c[nH]nn1)[C@@H]1CCCO1	ZINC000828954664	587475636	/nfs/dbraw/zinc/47/56/36/587475636.db2.gz	WBJTTYHNIALWOB-ZJUUUORDSA-N	0	1	206.249	0.075	20	30		BCEDMN
COC1CC(C(=O)C(C#N)C(=O)NC(C)C)C1	ZINC000860472271	589101914	/nfs/dbraw/zinc/10/19/14/589101914.db2.gz	GOUQVDSPOGNPBM-UDNWOFFPSA-N	0	1	238.287	0.645	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)C12CC(C1)C2	ZINC000860473703	589101992	/nfs/dbraw/zinc/10/19/92/589101992.db2.gz	QDBZXMPWIHGQDO-QAHKDPLZSA-N	0	1	218.256	0.774	20	30		BCEDMN
Cc1oc(C(=O)N=C2C[C@@H](C)ON2)cc1CO	ZINC000867063327	587505149	/nfs/dbraw/zinc/50/51/49/587505149.db2.gz	VNRCHQYDUNJPFP-ZCFIWIBFSA-N	0	1	238.243	0.932	20	30		BCEDMN
CC[N@H+](CC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1	ZINC000829635825	587507230	/nfs/dbraw/zinc/50/72/30/587507230.db2.gz	VCGNMIOVAXZMRA-LBPRGKRZSA-N	0	1	248.282	0.998	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@](C)(O)CC)CC1	ZINC000830162520	587539913	/nfs/dbraw/zinc/53/99/13/587539913.db2.gz	KZYPTTTTYFAVSG-ZDUSSCGKSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@](C)(O)CC)CC1	ZINC000830162518	587539923	/nfs/dbraw/zinc/53/99/23/587539923.db2.gz	KZYPTTTTYFAVSG-CYBMUJFWSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCN2CCC1CC2	ZINC000830156734	587539939	/nfs/dbraw/zinc/53/99/39/587539939.db2.gz	XEYYELBKDVJWOL-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830509480	587555015	/nfs/dbraw/zinc/55/50/15/587555015.db2.gz	KCWWVOMACMZYES-GHMZBOCLSA-N	0	1	242.319	0.696	20	30		BCEDMN
C#CCN1CC[C@](C(=O)NC)(C(F)(F)F)C1	ZINC000830674338	587563728	/nfs/dbraw/zinc/56/37/28/587563728.db2.gz	MBUUCQYALXAAPO-VIFPVBQESA-N	0	1	234.221	0.620	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)C[C@H]2CC(=O)N2)c1	ZINC000831271509	587594951	/nfs/dbraw/zinc/59/49/51/587594951.db2.gz	HXJZNMCHROFOIB-MRVPVSSYSA-N	0	1	245.238	0.481	20	30		BCEDMN
CCn1cnc(C(=O)N=C2C[C@@H](C)ON2)c1	ZINC000831398339	587603178	/nfs/dbraw/zinc/60/31/78/587603178.db2.gz	ACZSRVDLURNUAX-SSDOTTSWSA-N	0	1	222.248	0.755	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2CCCc3n[nH]nc32)=NO1	ZINC000831399555	587603555	/nfs/dbraw/zinc/60/35/55/587603555.db2.gz	OESYARXAKNBZNP-NKWVEPMBSA-N	0	1	249.274	0.463	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@@](C)(C#N)C2)=NC1=O	ZINC000832064331	587643983	/nfs/dbraw/zinc/64/39/83/587643983.db2.gz	HRTNGEAYBUUJNF-LBPRGKRZSA-N	0	1	248.286	0.892	20	30		BCEDMN
C#CCNC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C	ZINC000832084669	587644775	/nfs/dbraw/zinc/64/47/75/587644775.db2.gz	MTSYGPCTPSGODF-NSHDSACASA-N	0	1	240.347	0.465	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@H](CO)CC(C)(C)C	ZINC000832084669	587644777	/nfs/dbraw/zinc/64/47/77/587644777.db2.gz	MTSYGPCTPSGODF-NSHDSACASA-N	0	1	240.347	0.465	20	30		BCEDMN
C=C[C@H](O)C(=O)NCCN1CC=C(C)CC1	ZINC000832208051	587650244	/nfs/dbraw/zinc/65/02/44/587650244.db2.gz	XZTWWCOFFCSNNO-NSHDSACASA-N	0	1	224.304	0.302	20	30		BCEDMN
C#C[C@@H](NC(=O)C1(N(C)C)CC1)[C@@H]1CCCO1	ZINC000832411744	587658984	/nfs/dbraw/zinc/65/89/84/587658984.db2.gz	JXNOLHLITSUSMY-MNOVXSKESA-N	0	1	236.315	0.378	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000832425713	587659543	/nfs/dbraw/zinc/65/95/43/587659543.db2.gz	QMEQBBNYJIMJMR-DTWKUNHWSA-N	0	1	217.272	0.653	20	30		BCEDMN
C#CCCC[N@H+](CCOC)CCC(=O)[O-]	ZINC000833362323	587708214	/nfs/dbraw/zinc/70/82/14/587708214.db2.gz	LXSAKMYTSHAKBZ-UHFFFAOYSA-N	0	1	213.277	0.823	20	30		BCEDMN
C#CCCN1CC[NH+](C/C=C(\C)C(=O)[O-])CC1	ZINC000833362352	587708257	/nfs/dbraw/zinc/70/82/57/587708257.db2.gz	NJAJRMRTOJAJSY-LFYBBSHMSA-N	0	1	236.315	0.658	20	30		BCEDMN
C#CCCC[N@@H+]1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833362559	587708394	/nfs/dbraw/zinc/70/83/94/587708394.db2.gz	YLUJIMYPCPNJSM-GFCCVEGCSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CCCCN1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833362559	587708395	/nfs/dbraw/zinc/70/83/95/587708395.db2.gz	YLUJIMYPCPNJSM-GFCCVEGCSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CCCCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833362559	587708396	/nfs/dbraw/zinc/70/83/96/587708396.db2.gz	YLUJIMYPCPNJSM-GFCCVEGCSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833364331	587708902	/nfs/dbraw/zinc/70/89/02/587708902.db2.gz	JYBWWQGJXCGVDH-SNVBAGLBSA-N	0	1	210.277	0.100	20	30		BCEDMN
C=C(C)C[N@H+](C)CC(=O)NCCC(=O)[O-]	ZINC000833368761	587709317	/nfs/dbraw/zinc/70/93/17/587709317.db2.gz	TVZJQJSDPIKQEG-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833369118	587709388	/nfs/dbraw/zinc/70/93/88/587709388.db2.gz	GIOSXBWRDZGNGG-VHSXEESVSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833369353	587710015	/nfs/dbraw/zinc/71/00/15/587710015.db2.gz	SJJGVRWRCIVKRD-NXEZZACHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833369353	587710017	/nfs/dbraw/zinc/71/00/17/587710017.db2.gz	SJJGVRWRCIVKRD-NXEZZACHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CCCC[N@H+](C)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833374005	587710612	/nfs/dbraw/zinc/71/06/12/587710612.db2.gz	NEWCKOJSEHLSKM-JTQLQIEISA-N	0	1	240.303	0.775	20	30		BCEDMN
C=CC[N@H+](CCC(=O)NCC(=O)[O-])C1CC1	ZINC000833374495	587710769	/nfs/dbraw/zinc/71/07/69/587710769.db2.gz	MKVIXQGBJRCYDY-UHFFFAOYSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833377134	587711187	/nfs/dbraw/zinc/71/11/87/587711187.db2.gz	NJTPTKLHUADWOE-IUCAKERBSA-N	0	1	227.260	0.511	20	30		BCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCCC#N	ZINC000833629636	587724734	/nfs/dbraw/zinc/72/47/34/587724734.db2.gz	YSJOZSPIFBRWGP-LLVKDONJSA-N	0	1	239.319	0.771	20	30		BCEDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC#N	ZINC000833629353	587725020	/nfs/dbraw/zinc/72/50/20/587725020.db2.gz	TXBBXPIHAHQEGA-SNVBAGLBSA-N	0	1	225.292	0.381	20	30		BCEDMN
C#CCCO[NH+]=C(N)[C@H](C)CN(C)C(=O)[O-]	ZINC000833786986	587731721	/nfs/dbraw/zinc/73/17/21/587731721.db2.gz	FZASNKPOQSZGSM-MRVPVSSYSA-N	0	1	227.264	0.754	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833787392	587732060	/nfs/dbraw/zinc/73/20/60/587732060.db2.gz	NCNFYIGZBSSMFC-HBNTYKKESA-N	0	1	222.288	0.988	20	30		BCEDMN
CC(C[C@H](C)NC(=O)[O-])=NN1CC[NH+](C)CC1	ZINC000833802093	587732975	/nfs/dbraw/zinc/73/29/75/587732975.db2.gz	OESIZNZOTUALKV-VIFPVBQESA-N	0	1	242.323	0.656	20	30		BCEDMN
C#C[C@H](CC)NC(=O)Cc1n[nH]c(C)n1	ZINC000834381294	587753702	/nfs/dbraw/zinc/75/37/02/587753702.db2.gz	KRVYXYBTCAUCAP-MRVPVSSYSA-N	0	1	206.249	0.184	20	30		BCEDMN
Cc1cc(C)c(C(=O)N[C@@H]2CNC[C@H]2C#N)o1	ZINC000834479345	587755993	/nfs/dbraw/zinc/75/59/93/587755993.db2.gz	DCNDQGYHQRPNHJ-NXEZZACHSA-N	0	1	233.271	0.738	20	30		BCEDMN
CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)O1	ZINC000834480044	587756010	/nfs/dbraw/zinc/75/60/10/587756010.db2.gz	KMXKGHAGDCVRTO-LNFKQOIKSA-N	0	1	237.303	0.172	20	30		BCEDMN
COCCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1	ZINC000834479607	587756114	/nfs/dbraw/zinc/75/61/14/587756114.db2.gz	GSOILLKMHIBAAS-NXEZZACHSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000834479552	587756151	/nfs/dbraw/zinc/75/61/51/587756151.db2.gz	FVXPDXSGCZZLLL-GCHJQGSQSA-N	0	1	233.315	0.650	20	30		BCEDMN
CCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCC1	ZINC000834479411	587756168	/nfs/dbraw/zinc/75/61/68/587756168.db2.gz	DMDFAVXOXYKVBX-NXEZZACHSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1cccnc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834479233	587756278	/nfs/dbraw/zinc/75/62/78/587756278.db2.gz	BHPVJTOUNFWITO-NXEZZACHSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CC1	ZINC000834481056	587756356	/nfs/dbraw/zinc/75/63/56/587756356.db2.gz	ZNKANIHVGHEIJV-ZJUUUORDSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1cc(F)cc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834480459	587756372	/nfs/dbraw/zinc/75/63/72/587756372.db2.gz	QGPRUJSSWCCXEI-PWSUYJOCSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCC(F)(F)F	ZINC000834480777	587756395	/nfs/dbraw/zinc/75/63/95/587756395.db2.gz	VZGBZZFUJCIUHS-RQJHMYQMSA-N	0	1	235.209	0.557	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCC1CCC1	ZINC000834480730	587756446	/nfs/dbraw/zinc/75/64/46/587756446.db2.gz	VJKNORPEBZJBCI-WDEREUQCSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCC(F)(F)F	ZINC000834480776	587756452	/nfs/dbraw/zinc/75/64/52/587756452.db2.gz	VZGBZZFUJCIUHS-RNFRBKRXSA-N	0	1	235.209	0.557	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCC1CCC1	ZINC000834480727	587756484	/nfs/dbraw/zinc/75/64/84/587756484.db2.gz	VJKNORPEBZJBCI-GHMZBOCLSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1cccc(N)c1	ZINC000834493820	587756898	/nfs/dbraw/zinc/75/68/98/587756898.db2.gz	HSPLABXRCLMNEE-ZYHUDNBSSA-N	0	1	244.298	0.039	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)COC1CCCC1	ZINC000834490061	587756924	/nfs/dbraw/zinc/75/69/24/587756924.db2.gz	RDENMTONVBBKGC-KOLCDFICSA-N	0	1	237.303	0.173	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@H]2C#N)on1	ZINC000834489755	587756964	/nfs/dbraw/zinc/75/69/64/587756964.db2.gz	PDGQBHUVRCIZLA-SCZZXKLOSA-N	0	1	248.286	0.639	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccccc1O	ZINC000834493378	587757042	/nfs/dbraw/zinc/75/70/42/587757042.db2.gz	DEJWDCIHVVIZQE-QWRGUYRKSA-N	0	1	245.282	0.162	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)cn1	ZINC000834490331	587757186	/nfs/dbraw/zinc/75/71/86/587757186.db2.gz	UEYZCRNKVOYQIY-VXGBXAGGSA-N	0	1	244.298	0.160	20	30		BCEDMN
Cc1cncc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834490535	587757198	/nfs/dbraw/zinc/75/71/98/587757198.db2.gz	VQRWPFIGZZPSKP-GHMZBOCLSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCCCOCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834490989	587757264	/nfs/dbraw/zinc/75/72/64/587757264.db2.gz	ZEDTVSDJDPMGCA-NXEZZACHSA-N	0	1	225.292	0.031	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)no1	ZINC000834498651	587757302	/nfs/dbraw/zinc/75/73/02/587757302.db2.gz	BHRKIFAVQBGDIX-WCBMZHEXSA-N	0	1	246.270	0.393	20	30		BCEDMN
CCCCO[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834495433	587757347	/nfs/dbraw/zinc/75/73/47/587757347.db2.gz	VOJTVWPQLAHOCZ-MXWKQRLJSA-N	0	1	239.319	0.419	20	30		BCEDMN
CC[C@H](C)CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834499411	587757381	/nfs/dbraw/zinc/75/73/81/587757381.db2.gz	IEVOCAMXLRJKTP-AEJSXWLSSA-N	0	1	209.293	0.650	20	30		BCEDMN
Cc1cccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834495665	587757437	/nfs/dbraw/zinc/75/74/37/587757437.db2.gz	XNWLQVPYJBGOMN-CHWSQXEVSA-N	0	1	243.310	0.765	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)no1	ZINC000834498878	587757440	/nfs/dbraw/zinc/75/74/40/587757440.db2.gz	CNSAWMMWTUQLJD-PSASIEDQSA-N	0	1	248.286	0.639	20	30		BCEDMN
CC(C)n1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cn1	ZINC000834498814	587757503	/nfs/dbraw/zinc/75/75/03/587757503.db2.gz	BUXWSVRAYDTJRF-GXSJLCMTSA-N	0	1	247.302	0.305	20	30		BCEDMN
COCCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834494236	587757644	/nfs/dbraw/zinc/75/76/44/587757644.db2.gz	LXJBMKXPMOAJEG-UWVGGRQHSA-N	0	1	225.292	0.031	20	30		BCEDMN
C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)O1	ZINC000834504407	587757703	/nfs/dbraw/zinc/75/77/03/587757703.db2.gz	AULNCEMGVKNEPD-UNQZSWDGSA-N	0	1	237.303	0.028	20	30		BCEDMN
CC[C@H](C)[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834501135	587757917	/nfs/dbraw/zinc/75/79/17/587757917.db2.gz	ZMUSCMUNXOJWKX-MMWGEVLESA-N	0	1	223.320	0.896	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccccc1	ZINC000834505452	587757954	/nfs/dbraw/zinc/75/79/54/587757954.db2.gz	LEAMDXGPBWSMHJ-OLZOCXBDSA-N	0	1	243.310	0.847	20	30		BCEDMN
Cc1noc(C)c1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834505100	587757972	/nfs/dbraw/zinc/75/79/72/587757972.db2.gz	HXQWZYRKDDVETL-DTWKUNHWSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1cccs1	ZINC000834512140	587758180	/nfs/dbraw/zinc/75/81/80/587758180.db2.gz	SCWJPWHHCQUHBG-ONGXEEELSA-N	0	1	249.339	0.908	20	30		BCEDMN
Cc1ccoc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834510492	587758194	/nfs/dbraw/zinc/75/81/94/587758194.db2.gz	BPUYIOSUMSPXMC-DTWKUNHWSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1ccc(F)cc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834517111	587758538	/nfs/dbraw/zinc/75/85/38/587758538.db2.gz	QJJXWDOBIUYJHQ-BXKDBHETSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC(C)OCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834517807	587758546	/nfs/dbraw/zinc/75/85/46/587758546.db2.gz	ZJHXRBIBHHYTAQ-UWVGGRQHSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1O	ZINC000834512542	587758569	/nfs/dbraw/zinc/75/85/69/587758569.db2.gz	YMNLORPSNIHOQD-GXSJLCMTSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC[C@H]1CCCO1	ZINC000834515738	587758583	/nfs/dbraw/zinc/75/85/83/587758583.db2.gz	BJCTTWCFQYNBCQ-GMTAPVOTSA-N	0	1	237.303	0.173	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000834552268	587759342	/nfs/dbraw/zinc/75/93/42/587759342.db2.gz	HKLWTOGRRLNFCG-VHSXEESVSA-N	0	1	231.299	0.995	20	30		BCEDMN
Nc1ccc2c(n1)CCCC2=[NH+]NCC(=O)[O-]	ZINC000834982795	587776050	/nfs/dbraw/zinc/77/60/50/587776050.db2.gz	LAHBVBPTICBXEF-UHFFFAOYSA-N	0	1	234.259	0.378	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCC=C	ZINC000837047193	587850256	/nfs/dbraw/zinc/85/02/56/587850256.db2.gz	YOURKKPRSOQYJH-JTQLQIEISA-N	0	1	208.261	0.318	20	30		BCEDMN
CN(C(=O)C#CC1CC1)[C@@H]1CN2CCC1CC2	ZINC000837411432	587871145	/nfs/dbraw/zinc/87/11/45/587871145.db2.gz	VOKLJZMGEINFRS-CYBMUJFWSA-N	0	1	232.327	0.952	20	30		BCEDMN
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C#CC1CC1	ZINC000837464898	587875048	/nfs/dbraw/zinc/87/50/48/587875048.db2.gz	LSZCUUNCDVGJRR-GWCFXTLKSA-N	0	1	232.327	0.999	20	30		BCEDMN
CON=CC(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000837938380	587904355	/nfs/dbraw/zinc/90/43/55/587904355.db2.gz	AIOJGPWACQUBKS-UHFFFAOYSA-N	0	1	239.279	0.351	20	30		BCEDMN
C[C@H](O)CN(C)N=C1CCN2CCC[C@@H]12	ZINC000841649340	587966813	/nfs/dbraw/zinc/96/68/13/587966813.db2.gz	GIKVFOBXEGKOHQ-ONGXEEELSA-N	0	1	211.309	0.523	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cccc2c1OCO2	ZINC000841659401	587969246	/nfs/dbraw/zinc/96/92/46/587969246.db2.gz	KEGAFTXWNKAVRY-UHFFFAOYSA-N	0	1	246.270	0.688	20	30		BCEDMN
COc1ccsc1C=NNC1=NCCN1	ZINC000841660282	587969735	/nfs/dbraw/zinc/96/97/35/587969735.db2.gz	GOMZVRJXXXIAOT-UHFFFAOYSA-N	0	1	224.289	0.639	20	30		BCEDMN
CC(CC1(C(=O)[O-])CCC1)N=NC1=[NH+]CCN1	ZINC000841660573	587969796	/nfs/dbraw/zinc/96/97/96/587969796.db2.gz	RUGDWWMWUBUUSQ-UHFFFAOYSA-N	0	1	238.291	0.556	20	30		BCEDMN
Cc1cccc(C=NNC2=NCCN2)c1O	ZINC000841661691	587970271	/nfs/dbraw/zinc/97/02/71/587970271.db2.gz	YXRLKHASLVJQSS-UHFFFAOYSA-N	0	1	218.260	0.583	20	30		BCEDMN
COc1cccc2c1CCC2=NNC1=NCCN1	ZINC000841661513	587970336	/nfs/dbraw/zinc/97/03/36/587970336.db2.gz	PYGZZGFVOQQAIG-UHFFFAOYSA-N	0	1	244.298	0.894	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CNc1ccccc1	ZINC000841849807	587977751	/nfs/dbraw/zinc/97/77/51/587977751.db2.gz	LPMADVFHERPEDP-CMPLNLGQSA-N	0	1	244.298	0.326	20	30		BCEDMN
C#CCCCCNC(=O)N1CCN[C@H](C)C1	ZINC000841860554	587979007	/nfs/dbraw/zinc/97/90/07/587979007.db2.gz	OZJDKUZDCPVZJN-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
N#CC1(OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC000842317459	588016927	/nfs/dbraw/zinc/01/69/27/588016927.db2.gz	BQLRLPKPAXKMNY-RNFRBKRXSA-N	0	1	210.189	0.641	20	30		BCEDMN
C#CCC[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842375691	588022379	/nfs/dbraw/zinc/02/23/79/588022379.db2.gz	CMTPOZJGMDIPHT-DJLDLDEBSA-N	0	1	211.217	0.997	20	30		BCEDMN
CC(C)Cn1nccc1C=NNC1=NC[C@H](C)N1	ZINC000842530022	588033563	/nfs/dbraw/zinc/03/35/63/588033563.db2.gz	NFEKGAFERPMOHS-JTQLQIEISA-N	0	1	248.334	0.810	20	30		BCEDMN
C[Si](C)(C)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000842613527	588045787	/nfs/dbraw/zinc/04/57/87/588045787.db2.gz	BBAXKFDZNWBDCI-UHFFFAOYSA-N	0	1	223.308	0.286	20	30		BCEDMN
C#CCC[C@@H](O)CNC[C@H](C#N)CCC#N	ZINC000843102076	588081110	/nfs/dbraw/zinc/08/11/10/588081110.db2.gz	SUOWYUUDGUNIDZ-NWDGAFQWSA-N	0	1	219.288	0.794	20	30		BCEDMN
C#CC[C@@H]1NC(=O)N(Cc2cn[nH]c2C)C1=O	ZINC000843307949	588098803	/nfs/dbraw/zinc/09/88/03/588098803.db2.gz	UNKLASFPGSWCJP-VIFPVBQESA-N	0	1	232.243	0.162	20	30		BCEDMN
CC(C)(C)/C=C\C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843461843	588112396	/nfs/dbraw/zinc/11/23/96/588112396.db2.gz	XMFODOBFZDTOLS-BYIQDMNASA-N	0	1	221.304	0.816	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)on1	ZINC000843463246	588113208	/nfs/dbraw/zinc/11/32/08/588113208.db2.gz	VYZFMVNUKAPOHG-WPRPVWTQSA-N	0	1	246.270	0.393	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@H]1CN(C2CC2)C(=O)O1	ZINC000844323206	588184828	/nfs/dbraw/zinc/18/48/28/588184828.db2.gz	DWLQUZQOTXRHNE-ONGXEEELSA-N	0	1	222.288	0.923	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@]2(CC2(F)F)C1	ZINC000844433035	588192330	/nfs/dbraw/zinc/19/23/30/588192330.db2.gz	CLRGNSKFZVFONN-NSHDSACASA-N	0	1	242.269	0.857	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccns2)N1	ZINC000844590243	588206078	/nfs/dbraw/zinc/20/60/78/588206078.db2.gz	NQWKPLFBADSHAU-ZCFIWIBFSA-N	0	1	209.278	0.414	20	30		BCEDMN
CCCC(N)=NOCCCS(C)(=O)=O	ZINC000105605872	588215298	/nfs/dbraw/zinc/21/52/98/588215298.db2.gz	NGUPZIALEOTXRL-UHFFFAOYSA-N	0	1	222.310	0.510	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@H]1CCCN(C)C1	ZINC000845639467	588239384	/nfs/dbraw/zinc/23/93/84/588239384.db2.gz	PXDAKZKPLFYYCT-ZJUUUORDSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC000846538372	588272501	/nfs/dbraw/zinc/27/25/01/588272501.db2.gz	VRTSJORMMCGNHY-JTQLQIEISA-N	0	1	228.292	0.331	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H]1C[N@@H+](CC)CCO1	ZINC000846538372	588272502	/nfs/dbraw/zinc/27/25/02/588272502.db2.gz	VRTSJORMMCGNHY-JTQLQIEISA-N	0	1	228.292	0.331	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1[nH]cnc1C	ZINC000846553634	588276253	/nfs/dbraw/zinc/27/62/53/588276253.db2.gz	FGAICPWSAWHEBM-SSDOTTSWSA-N	0	1	209.249	0.883	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H]1C(=O)OCC1(C)C	ZINC000846656986	588281247	/nfs/dbraw/zinc/28/12/47/588281247.db2.gz	RMPWDEHUMYVYAR-NKWVEPMBSA-N	0	1	210.233	0.214	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)c(O)c1	ZINC000846676611	588281981	/nfs/dbraw/zinc/28/19/81/588281981.db2.gz	FQSMLJLDBSTPLY-KOLCDFICSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccco1	ZINC000846678427	588282238	/nfs/dbraw/zinc/28/22/38/588282238.db2.gz	UCRUMEMMKUJKSI-GXSJLCMTSA-N	0	1	233.271	0.440	20	30		BCEDMN
C#C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1	ZINC000847018485	588302013	/nfs/dbraw/zinc/30/20/13/588302013.db2.gz	KJPCTZRLYOYYGT-NSHDSACASA-N	0	1	244.360	0.223	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NCCCOC)C1	ZINC000847028715	588304261	/nfs/dbraw/zinc/30/42/61/588304261.db2.gz	KHUQSOBRXUQESH-GFCCVEGCSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1n[nH]c(C)n1)C(C)C	ZINC000847116767	588306902	/nfs/dbraw/zinc/30/69/02/588306902.db2.gz	XCMCVMDZPHNAAZ-VIFPVBQESA-N	0	1	220.276	0.430	20	30		BCEDMN
C(=NNC1=NCCN1)c1cc2n(n1)CCCC2	ZINC000848412190	588380527	/nfs/dbraw/zinc/38/05/27/588380527.db2.gz	KSZWAGVDRJOYIB-UHFFFAOYSA-N	0	1	232.291	0.102	20	30		BCEDMN
C=C[C@H](O)C(=O)O[C@H](C)c1n[nH]c(CC)n1	ZINC000849782715	588498368	/nfs/dbraw/zinc/49/83/68/588498368.db2.gz	DSTDAALXESXBSP-RQJHMYQMSA-N	0	1	225.248	0.518	20	30		BCEDMN
N#CC(C(=O)CCCF)C(=O)NC1CC1	ZINC000850759360	588565861	/nfs/dbraw/zinc/56/58/61/588565861.db2.gz	OSHFNXSPYCCNSV-QMMMGPOBSA-N	0	1	212.224	0.724	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CCC1(C)C	ZINC000850764172	588565552	/nfs/dbraw/zinc/56/55/52/588565552.db2.gz	NUHLZZWBGGCFAU-HTQZYQBOSA-N	0	1	208.261	0.877	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC2(CC2(F)F)C1	ZINC000850763189	588565915	/nfs/dbraw/zinc/56/59/15/588565915.db2.gz	BRVGMKMSOPJEOM-PRZNWYJVSA-N	0	1	242.225	0.877	20	30		BCEDMN
CCn1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)n1	ZINC000850757613	588565994	/nfs/dbraw/zinc/56/59/94/588565994.db2.gz	NCUBMWBQTDEMTC-RKDXNWHRSA-N	0	1	248.290	0.136	20	30		BCEDMN
C#CCCS(=O)(=O)N1CCN[C@H](C(C)C)C1	ZINC000851895198	588641682	/nfs/dbraw/zinc/64/16/82/588641682.db2.gz	CAMPWMCCGICGEG-NSHDSACASA-N	0	1	244.360	0.269	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCN(CC)C1=O)[C@H]1CCCO1	ZINC000851951108	588647207	/nfs/dbraw/zinc/64/72/07/588647207.db2.gz	UXAVYUREUMPHNJ-QJPTWQEYSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCOCCN1CCO[C@]2(CCO[C@@H]2C)C1	ZINC000851999134	588654087	/nfs/dbraw/zinc/65/40/87/588654087.db2.gz	YODOHBKYXPPWRZ-CHWSQXEVSA-N	0	1	239.315	0.516	20	30		BCEDMN
C#CCOCCN1CCC(F)(F)[C@@H](CO)C1	ZINC000852072016	588659403	/nfs/dbraw/zinc/65/94/03/588659403.db2.gz	XDNBHYQKMCEKPK-SNVBAGLBSA-N	0	1	233.258	0.586	20	30		BCEDMN
C#CCCNC(=O)N(C)Cc1cnc[nH]1	ZINC000852105959	588664046	/nfs/dbraw/zinc/66/40/46/588664046.db2.gz	RFIWCNPNYCOQBP-UHFFFAOYSA-N	0	1	206.249	0.574	20	30		BCEDMN
N#CCCNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21	ZINC000852219350	588673734	/nfs/dbraw/zinc/67/37/34/588673734.db2.gz	SIBLJDPTTOIMHB-QWRGUYRKSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCCNC(=O)CN1C[C@@H]2CCCC[C@@H]21	ZINC000852219350	588673735	/nfs/dbraw/zinc/67/37/35/588673735.db2.gz	SIBLJDPTTOIMHB-QWRGUYRKSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21	ZINC000852219040	588673854	/nfs/dbraw/zinc/67/38/54/588673854.db2.gz	PJVAXLQJIWFBJU-SRVKXCTJSA-N	0	1	220.316	0.999	20	30		BCEDMN
C#C[C@H](C)NC(=O)N(C)CC1CN(C)C1	ZINC000852261865	588674910	/nfs/dbraw/zinc/67/49/10/588674910.db2.gz	FHVWLDUEXNAMAP-VIFPVBQESA-N	0	1	209.293	0.211	20	30		BCEDMN
N#CC[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1	ZINC000852319467	588678002	/nfs/dbraw/zinc/67/80/02/588678002.db2.gz	NJJUQRDUGYQIBV-NXEZZACHSA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CC[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1	ZINC000852319467	588678003	/nfs/dbraw/zinc/67/80/03/588678003.db2.gz	NJJUQRDUGYQIBV-NXEZZACHSA-N	0	1	235.287	0.417	20	30		BCEDMN
C#CC[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852654294	588694147	/nfs/dbraw/zinc/69/41/47/588694147.db2.gz	HRNKZJYAVMRHID-SNVBAGLBSA-N	0	1	209.293	0.307	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852654294	588694148	/nfs/dbraw/zinc/69/41/48/588694148.db2.gz	HRNKZJYAVMRHID-SNVBAGLBSA-N	0	1	209.293	0.307	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(CF)cc1	ZINC000852827263	588706208	/nfs/dbraw/zinc/70/62/08/588706208.db2.gz	FIGNVXDZMJLCOR-NEPJUHHUSA-N	0	1	247.273	0.997	20	30		BCEDMN
CO[C@@H]1CC[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)C1	ZINC000852827766	588706343	/nfs/dbraw/zinc/70/63/43/588706343.db2.gz	PBYTWYRVEATBOT-ZDCRXTMVSA-N	0	1	237.303	0.029	20	30		BCEDMN
CC1(C)CC[C@@H]1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852828527	588706468	/nfs/dbraw/zinc/70/64/68/588706468.db2.gz	YJAUEGXOYVNQHP-BBBLOLIVSA-N	0	1	221.304	0.650	20	30		BCEDMN
CC(C)n1nccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852875814	588710082	/nfs/dbraw/zinc/71/00/82/588710082.db2.gz	QJAGGSWTEOMFCZ-ZJUUUORDSA-N	0	1	247.302	0.305	20	30		BCEDMN
CC(C)[C@H]1CNCCN1C(=O)NCCC#N	ZINC000861628321	589171101	/nfs/dbraw/zinc/17/11/01/589171101.db2.gz	OGVANIJYHZTAQI-SNVBAGLBSA-N	0	1	224.308	0.539	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCc2nc[nH]c2C1	ZINC000861763567	589177403	/nfs/dbraw/zinc/17/74/03/589177403.db2.gz	UCFMMZBDGQLVMR-VIFPVBQESA-N	0	1	233.271	0.333	20	30		BCEDMN
CC(=NNCC(C)(C)O)c1ccc(N)nc1	ZINC000863137484	589262346	/nfs/dbraw/zinc/26/23/46/589262346.db2.gz	ZNHRXVPNPVXUKZ-UHFFFAOYSA-N	0	1	222.292	0.748	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)CCc1cnc[nH]1	ZINC000863782835	589317358	/nfs/dbraw/zinc/31/73/58/589317358.db2.gz	CGWKORBFKLIYOT-LLVKDONJSA-N	0	1	249.314	0.887	20	30		BCEDMN
CC(C)(C)C#CC(=O)NCCN1CC[C@H](O)C1	ZINC000863835145	589322066	/nfs/dbraw/zinc/32/20/66/589322066.db2.gz	SDDAIUQGJWIXPA-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CN(C)C1CCC1	ZINC000863910268	589325410	/nfs/dbraw/zinc/32/54/10/589325410.db2.gz	WNRCFXQFTKMFOT-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CC(C)(C)NC(=O)CCc1c[nH]nn1	ZINC000865833661	589463803	/nfs/dbraw/zinc/46/38/03/589463803.db2.gz	GEKRCWUWWMXSRO-UHFFFAOYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#CC(C)(C)NC(=O)CCc1cnn[nH]1	ZINC000865833661	589463804	/nfs/dbraw/zinc/46/38/04/589463804.db2.gz	GEKRCWUWWMXSRO-UHFFFAOYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C=C(Cl)CNC(=O)CCc1nn[nH]n1	ZINC000865962096	589470345	/nfs/dbraw/zinc/47/03/45/589470345.db2.gz	UAXWJQGMSYEDKJ-UHFFFAOYSA-N	0	1	215.644	0.001	20	30		BCEDMN
C#CCSCCNC(=O)CCc1c[nH]nn1	ZINC000866013924	589472605	/nfs/dbraw/zinc/47/26/05/589472605.db2.gz	OCALEENJJYWOAH-UHFFFAOYSA-N	0	1	238.316	0.220	20	30		BCEDMN
C#CCSCCNC(=O)CCc1cnn[nH]1	ZINC000866013924	589472606	/nfs/dbraw/zinc/47/26/06/589472606.db2.gz	OCALEENJJYWOAH-UHFFFAOYSA-N	0	1	238.316	0.220	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)Cc1nnc[nH]1	ZINC000867762255	589533493	/nfs/dbraw/zinc/53/34/93/589533493.db2.gz	ZTGJJTNHRZLZIX-QMMMGPOBSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)CCc1nn[nH]n1	ZINC000867760499	589533544	/nfs/dbraw/zinc/53/35/44/589533544.db2.gz	DEBCXEUJZDKJDI-MRVPVSSYSA-N	0	1	221.264	0.050	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000868513314	589562019	/nfs/dbraw/zinc/56/20/19/589562019.db2.gz	DFPHLPABOWDAES-NWDGAFQWSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#CC1CCN(C(=O)CCc2nn[nH]n2)CC1	ZINC000869084001	589586007	/nfs/dbraw/zinc/58/60/07/589586007.db2.gz	VGJAJTHTZZPTKM-UHFFFAOYSA-N	0	1	233.275	0.004	20	30		BCEDMN
CCN(C(=O)[C@H](O)c1c[nH]cn1)[C@@H](C)C#N	ZINC000869285580	589596208	/nfs/dbraw/zinc/59/62/08/589596208.db2.gz	QWVXMKDWDKTXFH-IONNQARKSA-N	0	1	222.248	0.204	20	30		BCEDMN
CCN(C(=O)[C@@H](O)c1c[nH]cn1)[C@H](C)C#N	ZINC000869285578	589596295	/nfs/dbraw/zinc/59/62/95/589596295.db2.gz	QWVXMKDWDKTXFH-APPZFPTMSA-N	0	1	222.248	0.204	20	30		BCEDMN
CN(C(=O)C1=NC(=O)N(C)C1)[C@H]1CCC[C@@H]1C#N	ZINC000870669991	589681963	/nfs/dbraw/zinc/68/19/63/589681963.db2.gz	HGKZZTQURXIYEG-SCZZXKLOSA-N	0	1	248.286	0.890	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccnn1C	ZINC000871926973	589832806	/nfs/dbraw/zinc/83/28/06/589832806.db2.gz	LXAAXBDOROKFIP-VHSXEESVSA-N	0	1	234.303	0.209	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccnn1C	ZINC000871926813	589832962	/nfs/dbraw/zinc/83/29/62/589832962.db2.gz	KZXDZQOQUZOLKQ-UWVGGRQHSA-N	0	1	236.319	0.761	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H]1CCO[C@H]1C	ZINC000872160059	589885925	/nfs/dbraw/zinc/88/59/25/589885925.db2.gz	YHMXPSKBAULELN-VHSXEESVSA-N	0	1	213.277	0.984	20	30		BCEDMN
C#CCOCCN(C)[C@@H]1CCCCN(C)C1=O	ZINC000872266321	589902882	/nfs/dbraw/zinc/90/28/82/589902882.db2.gz	UROXUVWKROXUJK-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
COC[C@@H](C)NN=Cc1c(C)ccnc1N	ZINC000872363222	589919949	/nfs/dbraw/zinc/91/99/49/589919949.db2.gz	UGORXVUJTXFTPK-SECBINFHSA-N	0	1	222.292	0.931	20	30		BCEDMN
Cc1ccnc(N)c1C=NNC1=NC[C@H](C)N1	ZINC000872364201	589920522	/nfs/dbraw/zinc/92/05/22/589920522.db2.gz	FLMGREKDCDSVMG-QMMMGPOBSA-N	0	1	232.291	0.243	20	30		BCEDMN
C(=NNC1=NCCN1)c1cc2c([nH]1)CCCC2	ZINC000872385261	589929157	/nfs/dbraw/zinc/92/91/57/589929157.db2.gz	CYPJZFBXIGZBAL-UHFFFAOYSA-N	0	1	231.303	0.776	20	30		BCEDMN
FC(F)c1ccc(C=NNC2=NCCN2)cn1	ZINC000872385446	589929262	/nfs/dbraw/zinc/92/92/62/589929262.db2.gz	HHEOIKXKDKBPKN-UHFFFAOYSA-N	0	1	239.229	0.902	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@@H](C)CCSC	ZINC000124821243	590091286	/nfs/dbraw/zinc/09/12/86/590091286.db2.gz	DOKVVDDSZAMBGC-JTQLQIEISA-N	0	1	228.361	0.809	20	30		BCEDMN
COCCN(CCC#N)C(=O)CN1CCCC1	ZINC000874348766	590105460	/nfs/dbraw/zinc/10/54/60/590105460.db2.gz	MOHXYTDPDRVSSH-UHFFFAOYSA-N	0	1	239.319	0.471	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)CC1	ZINC000874859225	590149246	/nfs/dbraw/zinc/14/92/46/590149246.db2.gz	IYBYSVAINGCBQY-XYPYZODXSA-N	0	1	246.314	0.964	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@@H](C)C#N)CC1	ZINC000876449890	590201094	/nfs/dbraw/zinc/20/10/94/590201094.db2.gz	RIYVAOVBEOQASC-NSHDSACASA-N	0	1	233.315	0.702	20	30		BCEDMN
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H](C)N1	ZINC000876530064	590209533	/nfs/dbraw/zinc/20/95/33/590209533.db2.gz	JVLHSCCXFKIPSQ-AOOOYVTPSA-N	0	1	206.289	0.609	20	30		BCEDMN
C[C@H](CCC#N)CN(C)CCS(C)(=O)=O	ZINC000876585247	590218399	/nfs/dbraw/zinc/21/83/99/590218399.db2.gz	FSMQJWUIHVBQGI-SNVBAGLBSA-N	0	1	232.349	0.903	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCC12CC2	ZINC000876801327	590243302	/nfs/dbraw/zinc/24/33/02/590243302.db2.gz	BBCMHTZPNFDPJF-VWYCJHECSA-N	0	1	233.315	0.794	20	30		BCEDMN
COC1(CC(=O)N[C@H]2CNC[C@H]2C#N)CCC1	ZINC000876802153	590243437	/nfs/dbraw/zinc/24/34/37/590243437.db2.gz	MDTBBWCMISILAR-ZJUUUORDSA-N	0	1	237.303	0.173	20	30		BCEDMN
CCn1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)n1	ZINC000876802298	590243472	/nfs/dbraw/zinc/24/34/72/590243472.db2.gz	NTCZJPFNRBVSQC-KOLCDFICSA-N	0	1	247.302	0.053	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CCC=CCC1	ZINC000876801307	590243497	/nfs/dbraw/zinc/24/34/97/590243497.db2.gz	AUIBVLQOEJZZDJ-VXGBXAGGSA-N	0	1	233.315	0.961	20	30		BCEDMN
CCC[C@H](OCC)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876803915	590243746	/nfs/dbraw/zinc/24/37/46/590243746.db2.gz	ZKROLSMPQNITNH-VWYCJHECSA-N	0	1	239.319	0.419	20	30		BCEDMN
CC(C)n1cnc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000876803936	590243809	/nfs/dbraw/zinc/24/38/09/590243809.db2.gz	ZSBBGFXGPKSKSW-ZJUUUORDSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ocnc1C1CC1	ZINC000876802807	590244039	/nfs/dbraw/zinc/24/40/39/590244039.db2.gz	SEWPHYJRBIHBDK-IUCAKERBSA-N	0	1	246.270	0.393	20	30		BCEDMN
CCCc1nc(C(=O)N[C@H]2CNC[C@H]2C#N)co1	ZINC000876803175	590244099	/nfs/dbraw/zinc/24/40/99/590244099.db2.gz	UWGCPWJPXQYTEM-BDAKNGLRSA-N	0	1	248.286	0.468	20	30		BCEDMN
CC[S@@](=O)CCNCc1cccc(C#N)n1	ZINC000877040861	590273427	/nfs/dbraw/zinc/27/34/27/590273427.db2.gz	GBGSPEDHNIAXAV-MRXNPFEDSA-N	0	1	237.328	0.811	20	30		BCEDMN
C=CC(C)(C)CCCNC(=O)C1(O)CNC1	ZINC000877303842	590310479	/nfs/dbraw/zinc/31/04/79/590310479.db2.gz	OPDHFLOAIGPQIX-UHFFFAOYSA-N	0	1	226.320	0.429	20	30		BCEDMN
C=CC(C)(C)CCCNC(=O)CNC(=O)CN	ZINC000877304047	590311028	/nfs/dbraw/zinc/31/10/28/590311028.db2.gz	RUZMUYLKHNEJBC-UHFFFAOYSA-N	0	1	241.335	0.170	20	30		BCEDMN
CO[C@@H](CNCCC#N)C1CCOCC1	ZINC000877484232	590337899	/nfs/dbraw/zinc/33/78/99/590337899.db2.gz	YQXKUAUQXIAYQB-NSHDSACASA-N	0	1	212.293	0.931	20	30		BCEDMN
C#C[C@@H](C)NCc1cccc(S(N)(=O)=O)c1	ZINC000877514698	590345973	/nfs/dbraw/zinc/34/59/73/590345973.db2.gz	UJFRFBORTFQXCZ-SECBINFHSA-N	0	1	238.312	0.445	20	30		BCEDMN
N#Cc1cnn2cc(CNC3CSC3)cnc12	ZINC000877635505	590380659	/nfs/dbraw/zinc/38/06/59/590380659.db2.gz	UIDMLLYWDBXGPJ-UHFFFAOYSA-N	0	1	245.311	0.806	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)C[C@@H](C)C(=O)NC	ZINC000878161777	590509870	/nfs/dbraw/zinc/50/98/70/590509870.db2.gz	CBUPPBAOEGWLSG-NXEZZACHSA-N	0	1	242.319	0.418	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@](C)(O)C1	ZINC000878165724	590512725	/nfs/dbraw/zinc/51/27/25/590512725.db2.gz	CVFDVQULDZCARV-KOLCDFICSA-N	0	1	213.277	0.561	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCc2cn[nH]c2C1	ZINC000878290509	590535333	/nfs/dbraw/zinc/53/53/33/590535333.db2.gz	ADNSNGQFNCYKCM-LLVKDONJSA-N	0	1	235.287	0.886	20	30		BCEDMN
C#CCCCCCN1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000878319621	590544800	/nfs/dbraw/zinc/54/48/00/590544800.db2.gz	XOWBPWHAPDPOMM-NSHDSACASA-N	0	1	249.314	0.416	20	30		BCEDMN
C=CC[C@H](C)N1CCN(C(=O)[C@@H](C)O)CC1	ZINC000878331578	590548645	/nfs/dbraw/zinc/54/86/45/590548645.db2.gz	WCYDBZZXEONRBS-WDEREUQCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@@H](C)[C@@H](O)C1	ZINC000878335342	590549224	/nfs/dbraw/zinc/54/92/24/590549224.db2.gz	LIODUKGYKMXAMC-BBBLOLIVSA-N	0	1	213.277	0.417	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](C)[C@H](O)C1	ZINC000878335343	590549501	/nfs/dbraw/zinc/54/95/01/590549501.db2.gz	LIODUKGYKMXAMC-IVZWLZJFSA-N	0	1	213.277	0.417	20	30		BCEDMN
Cn1nnnc1CCN1CCC(C)(C#N)CC1	ZINC000878389886	590558527	/nfs/dbraw/zinc/55/85/27/590558527.db2.gz	XERFPOHJPXVQEX-UHFFFAOYSA-N	0	1	234.307	0.378	20	30		BCEDMN
N#Cc1ccc(CN2[C@H](CO)CC[C@H]2CO)o1	ZINC000878881661	590638275	/nfs/dbraw/zinc/63/82/75/590638275.db2.gz	KXRFJQYEVCHKTG-UWVGGRQHSA-N	0	1	236.271	0.469	20	30		BCEDMN
C#CCN(CC1(C(=O)OC)CC1)C1CSC1	ZINC000878910301	590646873	/nfs/dbraw/zinc/64/68/73/590646873.db2.gz	RNTSNWURSQMBAV-UHFFFAOYSA-N	0	1	239.340	0.990	20	30		BCEDMN
C[C@H]1CCCCN1CC(N)=NOCCCO	ZINC000127402250	590651828	/nfs/dbraw/zinc/65/18/28/590651828.db2.gz	PKFICGSTPZCICY-JTQLQIEISA-N	0	1	229.324	0.532	20	30		BCEDMN
CC#CCN1CCC([C@@H](F)C(N)=O)CC1	ZINC000879041587	590684749	/nfs/dbraw/zinc/68/47/49/590684749.db2.gz	HPXVDMRJJNZTMD-SNVBAGLBSA-N	0	1	212.268	0.545	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)C(F)(F)F)C1	ZINC000879764070	590866079	/nfs/dbraw/zinc/86/60/79/590866079.db2.gz	SEQCGSLANMTLRD-VIFPVBQESA-N	0	1	234.221	0.763	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@@H](O)CC(C)(C)C1	ZINC000879618398	590832242	/nfs/dbraw/zinc/83/22/42/590832242.db2.gz	XTOUNFISFHLURN-QWRGUYRKSA-N	0	1	240.347	0.770	20	30		BCEDMN
COCC#CCN[C@@H](C)c1ccnn1C	ZINC000879685442	590848432	/nfs/dbraw/zinc/84/84/32/590848432.db2.gz	GVIOLUDSNXHLLI-JTQLQIEISA-N	0	1	207.277	0.721	20	30		BCEDMN
COCC#CCN[C@H](C)c1ccnn1C	ZINC000879685443	590848627	/nfs/dbraw/zinc/84/86/27/590848627.db2.gz	GVIOLUDSNXHLLI-SNVBAGLBSA-N	0	1	207.277	0.721	20	30		BCEDMN
C#CC[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000879764070	590866072	/nfs/dbraw/zinc/86/60/72/590866072.db2.gz	SEQCGSLANMTLRD-VIFPVBQESA-N	0	1	234.221	0.763	20	30		BCEDMN
C#CC[N@@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000879764070	590866076	/nfs/dbraw/zinc/86/60/76/590866076.db2.gz	SEQCGSLANMTLRD-VIFPVBQESA-N	0	1	234.221	0.763	20	30		BCEDMN
Cn1nnnc1C1CCN(CCCC#N)CC1	ZINC000879915316	590888924	/nfs/dbraw/zinc/88/89/24/590888924.db2.gz	BQVWAGWSYXFXTF-UHFFFAOYSA-N	0	1	234.307	0.693	20	30		BCEDMN
C#CCONC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C	ZINC000880079685	590919963	/nfs/dbraw/zinc/91/99/63/590919963.db2.gz	SMSGLWNVUCXBGJ-KCJUWKMLSA-N	0	1	233.271	0.757	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@H](CF)C1	ZINC000880231994	590963807	/nfs/dbraw/zinc/96/38/07/590963807.db2.gz	CUNOMZSFRHBAPN-SECBINFHSA-N	0	1	213.256	0.308	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](CF)C1	ZINC000880290982	590986446	/nfs/dbraw/zinc/98/64/46/590986446.db2.gz	AIGFXZLRAIDSFS-VIFPVBQESA-N	0	1	200.257	0.580	20	30		BCEDMN
C#CCC1(O)CCN(Cc2n[nH]c(C)n2)CC1	ZINC000880483421	591057249	/nfs/dbraw/zinc/05/72/49/591057249.db2.gz	CAHOCCXCHKAQDK-UHFFFAOYSA-N	0	1	234.303	0.463	20	30		BCEDMN
CC(C)OC[C@@H](O)CON=C(N)C(C)C	ZINC000128468815	591078872	/nfs/dbraw/zinc/07/88/72/591078872.db2.gz	QXBYZZBXRBIGSO-SECBINFHSA-N	0	1	218.297	0.717	20	30		BCEDMN
CNCc1cn(Cc2ccc(C#N)o2)nn1	ZINC000881303049	591184571	/nfs/dbraw/zinc/18/45/71/591184571.db2.gz	QOQODORBMMULLF-UHFFFAOYSA-N	0	1	217.232	0.510	20	30		BCEDMN
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)C(C)C#N	ZINC000881729830	591267773	/nfs/dbraw/zinc/26/77/73/591267773.db2.gz	MHDBHAOCIQMDNJ-RQJHMYQMSA-N	0	1	246.213	0.555	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@H]2CCCCN2C)C1	ZINC000881944675	591282525	/nfs/dbraw/zinc/28/25/25/591282525.db2.gz	YYBBEAFASVEVGI-SNVBAGLBSA-N	0	1	224.279	0.654	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000882488828	591366449	/nfs/dbraw/zinc/36/64/49/591366449.db2.gz	JQIUWDWJLAWFJA-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
C#CC1(NC(=O)[C@@H](C)N(C)C)CCCC1	ZINC000882530323	591383833	/nfs/dbraw/zinc/38/38/33/591383833.db2.gz	MLQSVNWZBIBNKQ-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCCOC(=O)NC[C@@H]1CCN1CC	ZINC000882763961	591428955	/nfs/dbraw/zinc/42/89/55/591428955.db2.gz	FXRSRBPRVUGQOD-JTQLQIEISA-N	0	1	210.277	0.830	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000882902959	591469175	/nfs/dbraw/zinc/46/91/75/591469175.db2.gz	SQJUTJJONDAZQA-DJLDLDEBSA-N	0	1	228.248	0.095	20	30		BCEDMN
C#Cc1cnc(NC[C@@H]2CCN2CC)nc1	ZINC000882959118	591484698	/nfs/dbraw/zinc/48/46/98/591484698.db2.gz	VKRHAHNTWDKVAT-NSHDSACASA-N	0	1	216.288	0.964	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc(Cl)n1C	ZINC000883156352	591555916	/nfs/dbraw/zinc/55/59/16/591555916.db2.gz	LXGHLDAJRXGGLA-VIFPVBQESA-N	0	1	241.722	0.937	20	30		BCEDMN
C#CCCNC(=O)N1CCN(C)C(C)(C)C1	ZINC000883487756	591680769	/nfs/dbraw/zinc/68/07/69/591680769.db2.gz	WZNNBPDNJBMLCB-UHFFFAOYSA-N	0	1	223.320	0.745	20	30		BCEDMN
C#CCOCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883566292	591693319	/nfs/dbraw/zinc/69/33/19/591693319.db2.gz	RREGUMMLISXXLY-NSHDSACASA-N	0	1	239.319	0.030	20	30		BCEDMN
N#CCc1cccc(NC(=O)N2CCNCC2)n1	ZINC000883587710	591695163	/nfs/dbraw/zinc/69/51/63/591695163.db2.gz	PMOSCIOKHBYPQC-UHFFFAOYSA-N	0	1	245.286	0.585	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NC[C@H]1CCN1CC	ZINC000883602050	591699089	/nfs/dbraw/zinc/69/90/89/591699089.db2.gz	MDNYILCZTVMCSF-GHMZBOCLSA-N	0	1	223.320	0.792	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NCC1(C#N)CC1	ZINC000883668819	591715243	/nfs/dbraw/zinc/71/52/43/591715243.db2.gz	MKPNMJYDCAJCBD-SNVBAGLBSA-N	0	1	236.319	0.684	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NC[C@H]1CCN1CC	ZINC000883763853	591736693	/nfs/dbraw/zinc/73/66/93/591736693.db2.gz	KOOLSKDUURRWJX-NXEZZACHSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=CCN(C)C(=O)NC[C@@H]1CCN1CC	ZINC000883897025	591765451	/nfs/dbraw/zinc/76/54/51/591765451.db2.gz	ZIXYZBNDSZJJHY-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C#CCNC(=O)NCc1nc(CSC)n[nH]1	ZINC000884011545	591797281	/nfs/dbraw/zinc/79/72/81/591797281.db2.gz	ICRVPDCESSDPBP-UHFFFAOYSA-N	0	1	239.304	0.100	20	30		BCEDMN
C#CCNC(=O)NCc1nnc(CSC)[nH]1	ZINC000884011545	591797284	/nfs/dbraw/zinc/79/72/84/591797284.db2.gz	ICRVPDCESSDPBP-UHFFFAOYSA-N	0	1	239.304	0.100	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H](C)N1	ZINC000884030308	591813602	/nfs/dbraw/zinc/81/36/02/591813602.db2.gz	LVVYQNBFEMLKQO-RKDXNWHRSA-N	0	1	232.287	0.709	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000884250276	591884031	/nfs/dbraw/zinc/88/40/31/591884031.db2.gz	ATRCBUFGEDUDLH-WHOHXGKFSA-N	0	1	233.315	0.650	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)nc1	ZINC000884249970	591884280	/nfs/dbraw/zinc/88/42/80/591884280.db2.gz	VEWSSCMCVQDUEI-GXSJLCMTSA-N	0	1	230.271	0.231	20	30		BCEDMN
C#CCSCC(=O)OCc1n[nH]c(C)n1	ZINC000885900121	592105039	/nfs/dbraw/zinc/10/50/39/592105039.db2.gz	SFWKPMDFTKEGEY-UHFFFAOYSA-N	0	1	225.273	0.523	20	30		BCEDMN
CN1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1	ZINC000885946508	592113122	/nfs/dbraw/zinc/11/31/22/592113122.db2.gz	KUICANUTLKNNAR-LBPRGKRZSA-N	0	1	237.347	0.679	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000218288903	592153213	/nfs/dbraw/zinc/15/32/13/592153213.db2.gz	XOVQWYBZIGVJGE-DTWKUNHWSA-N	0	1	226.276	0.084	20	30		BCEDMN
C#C[C@H](NC[C@](C)(O)C(F)F)[C@@H]1CCCO1	ZINC000886143271	592163013	/nfs/dbraw/zinc/16/30/13/592163013.db2.gz	YDHACPPNWIAIFM-QXEWZRGKSA-N	0	1	233.258	0.773	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cnn(C)n2)C1	ZINC000886211768	592177233	/nfs/dbraw/zinc/17/72/33/592177233.db2.gz	XLVOLTRXZZTQFP-LLVKDONJSA-N	0	1	233.319	0.002	20	30		BCEDMN
C[C@@](O)(CN1CC[C@](O)(CC#N)C1)C(F)F	ZINC000886265399	592189935	/nfs/dbraw/zinc/18/99/35/592189935.db2.gz	HWIOLUQDBXBLDH-NXEZZACHSA-N	0	1	234.246	0.353	20	30		BCEDMN
N#Cc1ccc(CNCCN2CCNC2=O)o1	ZINC000886324063	592208554	/nfs/dbraw/zinc/20/85/54/592208554.db2.gz	XVJPTSZRVQKBTD-UHFFFAOYSA-N	0	1	234.259	0.266	20	30		BCEDMN
C#CC[C@H]1CCN([C@H]2CON(CC)C2=O)C1	ZINC000886364386	592217493	/nfs/dbraw/zinc/21/74/93/592217493.db2.gz	YFVXUXFKUGLHKT-QWRGUYRKSA-N	0	1	222.288	0.494	20	30		BCEDMN
CCN(C(=O)C(C)C#N)C(C)(C)C(=O)OC	ZINC000886424487	592224714	/nfs/dbraw/zinc/22/47/14/592224714.db2.gz	PBBLEYQVOIBALN-QMMMGPOBSA-N	0	1	226.276	0.946	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCn2nncc2C1	ZINC000886457776	592226890	/nfs/dbraw/zinc/22/68/90/592226890.db2.gz	OEJMJFNYIPIEPF-LBPRGKRZSA-N	0	1	236.319	0.811	20	30		BCEDMN
C=CCC[C@@H](C)NCc1nnc2c(=O)[nH]ccn12	ZINC000886704821	592309110	/nfs/dbraw/zinc/30/91/10/592309110.db2.gz	QKFYKFNLGURXNE-SECBINFHSA-N	0	1	247.302	0.862	20	30		BCEDMN
C=CCC1(O)CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC000886776616	592320087	/nfs/dbraw/zinc/32/00/87/592320087.db2.gz	LBOPXKZNMIUGRP-UHFFFAOYSA-N	0	1	238.291	0.413	20	30		BCEDMN
C#CCC1(NC(=O)[C@H](C)N(C)C)CCC1	ZINC000886792814	592325473	/nfs/dbraw/zinc/32/54/73/592325473.db2.gz	NWPIEXHDQNWXMS-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCC1(NC(=O)CCCc2nn[nH]n2)CCC1	ZINC000886802460	592333036	/nfs/dbraw/zinc/33/30/36/592333036.db2.gz	LIWQJBJGULOUOT-UHFFFAOYSA-N	0	1	247.302	0.585	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@H](NC(=O)OC)C1	ZINC000886856138	592369880	/nfs/dbraw/zinc/36/98/80/592369880.db2.gz	HYRYGKGFJKAXMZ-VHSXEESVSA-N	0	1	228.292	0.354	20	30		BCEDMN
COC[C@@H](NCCC#N)[C@H]1CCCOC1	ZINC000886906167	592393340	/nfs/dbraw/zinc/39/33/40/592393340.db2.gz	SAJSQUOTUKCVMW-WDEREUQCSA-N	0	1	212.293	0.931	20	30		BCEDMN
C#CCCCCC(=O)NCc1nnc[nH]1	ZINC000222914667	592508005	/nfs/dbraw/zinc/50/80/05/592508005.db2.gz	ANNDDYKJSXTIHK-UHFFFAOYSA-N	0	1	206.249	0.615	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887677516	592540897	/nfs/dbraw/zinc/54/08/97/592540897.db2.gz	YPFRKYMDENFRKO-ZYHUDNBSSA-N	0	1	237.303	0.222	20	30		BCEDMN
C[C@@H](C(=O)NCc1nc(C#N)cs1)N(C)C	ZINC000887976926	592564625	/nfs/dbraw/zinc/56/46/25/592564625.db2.gz	YDFUJXVSPBTSKY-ZETCQYMHSA-N	0	1	238.316	0.581	20	30		BCEDMN
C=CC(C)(C)C(=O)NCc1n[nH]c(C)n1	ZINC000889701437	592648817	/nfs/dbraw/zinc/64/88/17/592648817.db2.gz	SRYUOQGYMLSQLD-UHFFFAOYSA-N	0	1	208.265	0.942	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCN1CC	ZINC000890064086	592674115	/nfs/dbraw/zinc/67/41/15/592674115.db2.gz	QFIUDIQAFLYGQD-GHMZBOCLSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCN1CC	ZINC000890064088	592675183	/nfs/dbraw/zinc/67/51/83/592675183.db2.gz	QFIUDIQAFLYGQD-QWRGUYRKSA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1	ZINC000736106344	599950519	/nfs/dbraw/zinc/95/05/19/599950519.db2.gz	ALZKZILVEHQZAV-SECBINFHSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCCC[N@H+](C)CC(=O)NCC(=O)[O-]	ZINC000309387678	600273764	/nfs/dbraw/zinc/27/37/64/600273764.db2.gz	SXIOKHNXCPBUFB-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C#CC[N@@H+](CC#CC)C/C=C(\C)C(=O)[O-]	ZINC000688545100	601177131	/nfs/dbraw/zinc/17/71/31/601177131.db2.gz	YDVXLRSIIBOCED-YRNVUSSQSA-N	0	1	205.257	0.976	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000251837966	601516380	/nfs/dbraw/zinc/51/63/80/601516380.db2.gz	QDTKYOJKTHWIQS-LPEHRKFASA-N	0	1	240.303	0.330	20	30		BCEDMN
C#CCNC(=O)C[N@H+](CC(=O)[O-])C1CCCC1	ZINC000037596976	602335771	/nfs/dbraw/zinc/33/57/71/602335771.db2.gz	SHYOJTZIIAPCAK-UHFFFAOYSA-N	0	1	238.287	0.065	20	30		BCEDMN
C#CCNC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1	ZINC000037596976	602335769	/nfs/dbraw/zinc/33/57/69/602335769.db2.gz	SHYOJTZIIAPCAK-UHFFFAOYSA-N	0	1	238.287	0.065	20	30		BCEDMN
CC#CC[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738503544	603338054	/nfs/dbraw/zinc/33/80/54/603338054.db2.gz	RKUWQLDXKDIATP-JTQLQIEISA-N	0	1	210.277	0.941	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1	ZINC000310127736	604459229	/nfs/dbraw/zinc/45/92/29/604459229.db2.gz	XDFKYDBFZYABFE-UHFFFAOYSA-N	0	1	240.303	0.618	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1	ZINC000310127736	604459231	/nfs/dbraw/zinc/45/92/31/604459231.db2.gz	XDFKYDBFZYABFE-UHFFFAOYSA-N	0	1	240.303	0.618	20	30		BCEDMN
C#CCC[N@@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC000085611686	604919518	/nfs/dbraw/zinc/91/95/18/604919518.db2.gz	GJHMRHSOHQAYEC-SECBINFHSA-N	0	1	213.302	0.902	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000738496309	605922202	/nfs/dbraw/zinc/92/22/02/605922202.db2.gz	WAIFJGJJRDLHFD-BDAKNGLRSA-N	0	1	241.291	0.019	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000738496309	605922203	/nfs/dbraw/zinc/92/22/03/605922203.db2.gz	WAIFJGJJRDLHFD-BDAKNGLRSA-N	0	1	241.291	0.019	20	30		BCEDMN
CN(CC#N)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC001027311459	634471344	/nfs/dbraw/zinc/47/13/44/634471344.db2.gz	QPIFZEHVPOXVHQ-JTQLQIEISA-N	0	1	247.302	0.470	20	30		BCEDMN
C=CCN(C)[C@H]1CCN(C2CCOCC2)C1=O	ZINC000336725175	635256483	/nfs/dbraw/zinc/25/64/83/635256483.db2.gz	PTCWHCDAUBHLJY-LBPRGKRZSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cnon1	ZINC001028215763	635492458	/nfs/dbraw/zinc/49/24/58/635492458.db2.gz	XTKIIFKUQGYOLK-VIFPVBQESA-N	0	1	236.275	0.450	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cscn2)C1	ZINC001010375703	635463317	/nfs/dbraw/zinc/46/33/17/635463317.db2.gz	JRAODKNUJPBUBO-SNVBAGLBSA-N	0	1	249.339	0.971	20	30		BCEDMN
C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482443	631263344	/nfs/dbraw/zinc/26/33/44/631263344.db2.gz	RVVGNMCWHZWYME-VXGBXAGGSA-N	0	1	240.347	0.722	20	30		BCEDMN
C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482891	631263506	/nfs/dbraw/zinc/26/35/06/631263506.db2.gz	XOMZJFVUJRKSPN-NWDGAFQWSA-N	0	1	238.331	0.169	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482891	631263509	/nfs/dbraw/zinc/26/35/09/631263509.db2.gz	XOMZJFVUJRKSPN-NWDGAFQWSA-N	0	1	238.331	0.169	20	30		BCEDMN
COC(=O)[C@@](C)(O)CN(CCC#N)CC(C)C	ZINC000080211101	631378474	/nfs/dbraw/zinc/37/84/74/631378474.db2.gz	WOCVBJRSQXHNLJ-LBPRGKRZSA-N	0	1	242.319	0.782	20	30		BCEDMN
Cc1nc(CN2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000933606694	631457153	/nfs/dbraw/zinc/45/71/53/631457153.db2.gz	KJRWITIXSLIJOF-SNVBAGLBSA-N	0	1	221.264	0.228	20	30		BCEDMN
CC(=NNCC(N)=O)c1ccc(N)cc1	ZINC000308843973	631689318	/nfs/dbraw/zinc/68/93/18/631689318.db2.gz	OJTSSHUFDNGLQA-UHFFFAOYSA-N	0	1	206.249	0.068	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1	ZINC000972104413	631781873	/nfs/dbraw/zinc/78/18/73/631781873.db2.gz	KSLKAXQZYTWGTI-TUAOUCFPSA-N	0	1	220.316	0.808	20	30		BCEDMN
C#CCNC(=O)CN(CC)C[C@H]1CCCO1	ZINC000051555968	631804755	/nfs/dbraw/zinc/80/47/55/631804755.db2.gz	ARSNXDQIXDIRLA-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCc3cc(O)ccc32)N1	ZINC000780242859	631864307	/nfs/dbraw/zinc/86/43/07/631864307.db2.gz	IDGQDINFUOAMLO-QMMMGPOBSA-N	0	1	244.298	0.980	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NCCC(=O)OC	ZINC000934470414	631864880	/nfs/dbraw/zinc/86/48/80/631864880.db2.gz	DFGTZUXNCWMGMO-JTQLQIEISA-N	0	1	240.303	0.316	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O	ZINC000934473502	631866411	/nfs/dbraw/zinc/86/64/11/631866411.db2.gz	WTVWVRXQEJKZNE-JGVFFNPUSA-N	0	1	211.265	0.220	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H]1CC=C	ZINC000934472413	631866974	/nfs/dbraw/zinc/86/69/74/631866974.db2.gz	OADRTSUWRFGIJW-QWRGUYRKSA-N	0	1	206.289	0.775	20	30		BCEDMN
C#C[C@H]1CCCCN1CCN1C(=O)N[C@@H](C)C1=O	ZINC000934514719	631893821	/nfs/dbraw/zinc/89/38/21/631893821.db2.gz	ANGCCQABCJJYKS-QWRGUYRKSA-N	0	1	249.314	0.414	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1	ZINC000972423925	632029291	/nfs/dbraw/zinc/02/92/91/632029291.db2.gz	KYBDGVQELNOEDB-NWDGAFQWSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCNC(=O)CN(C)CCc1ccccc1	ZINC000051997951	632039431	/nfs/dbraw/zinc/03/94/31/632039431.db2.gz	OLHBBAOGZVMVCC-UHFFFAOYSA-N	0	1	230.311	0.910	20	30		BCEDMN
CC(C)[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000309509469	632433335	/nfs/dbraw/zinc/43/33/35/632433335.db2.gz	ORDAMHSHAZMWON-IVZWLZJFSA-N	0	1	209.293	0.506	20	30		BCEDMN
CC(C)[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000309509467	632434057	/nfs/dbraw/zinc/43/40/57/632434057.db2.gz	ORDAMHSHAZMWON-AEJSXWLSSA-N	0	1	209.293	0.506	20	30		BCEDMN
CC(C)SCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000309507680	632435757	/nfs/dbraw/zinc/43/57/57/632435757.db2.gz	NWQFYVSNGPLBSN-RKDXNWHRSA-N	0	1	227.333	0.356	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ncccn2)C1	ZINC000972589056	632490020	/nfs/dbraw/zinc/49/00/20/632490020.db2.gz	KDSCOHQNOOIRER-NSHDSACASA-N	0	1	244.298	0.256	20	30		BCEDMN
N#C[C@@H]1CCCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000309258008	632848704	/nfs/dbraw/zinc/84/87/04/632848704.db2.gz	ORPGDAJCDNBDIM-QMMMGPOBSA-N	0	1	240.288	0.334	20	30		BCEDMN
N#C[C@H]1CCCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000309258007	632849568	/nfs/dbraw/zinc/84/95/68/632849568.db2.gz	ORPGDAJCDNBDIM-MRVPVSSYSA-N	0	1	240.288	0.334	20	30		BCEDMN
C=CCC(F)(F)C(=O)Nc1c[nH]nn1	ZINC000935597830	632851524	/nfs/dbraw/zinc/85/15/24/632851524.db2.gz	OISGOFFPBGRHGJ-UHFFFAOYSA-N	0	1	202.164	0.955	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH]nn1	ZINC000935598355	632852688	/nfs/dbraw/zinc/85/26/88/632852688.db2.gz	XYBGRNKDCDIITO-RQJHMYQMSA-N	0	1	208.221	0.334	20	30		BCEDMN
CNC(=O)[C@H]1CCCN1CCO[C@H](C)C#N	ZINC000304218958	635937203	/nfs/dbraw/zinc/93/72/03/635937203.db2.gz	GYBBWDVPDVKISD-NXEZZACHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1OCC	ZINC001025689070	633744458	/nfs/dbraw/zinc/74/44/58/633744458.db2.gz	LONPRKXBLOEZRY-IEECTRCBSA-N	0	1	248.326	0.091	20	30		BCEDMN
CCOCC(=O)C(C#N)C(=O)NC1CCCC1	ZINC000119705425	633815305	/nfs/dbraw/zinc/81/53/05/633815305.db2.gz	LCSMFCVESDCZPC-SNVBAGLBSA-N	0	1	238.287	0.791	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CO1	ZINC001025906417	633817992	/nfs/dbraw/zinc/81/79/92/633817992.db2.gz	NGOUGVGQAKGQTI-LBELIVKGSA-N	0	1	248.326	0.091	20	30		BCEDMN
CC#CCN(C)C[C@@H]1C[C@H]2COC[C@@H]2O1	ZINC000930589785	633913770	/nfs/dbraw/zinc/91/37/70/633913770.db2.gz	NWGBRJMNCLRFQU-SRVKXCTJSA-N	0	1	209.289	0.745	20	30		BCEDMN
CC1(C)C[C@@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000309503684	633936893	/nfs/dbraw/zinc/93/68/93/633936893.db2.gz	MJAZGLPRDXQYGZ-DJLDLDEBSA-N	0	1	207.277	0.260	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccs1	ZINC000309637152	633977747	/nfs/dbraw/zinc/97/77/47/633977747.db2.gz	NBKQHFXSRVLOAC-SFYZADRCSA-N	0	1	221.285	0.589	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccs1	ZINC000309637149	633978809	/nfs/dbraw/zinc/97/88/09/633978809.db2.gz	NBKQHFXSRVLOAC-HTQZYQBOSA-N	0	1	221.285	0.589	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccoc1	ZINC000309635626	633979070	/nfs/dbraw/zinc/97/90/70/633979070.db2.gz	MIWVGDKKILRSHD-DTWKUNHWSA-N	0	1	205.217	0.121	20	30		BCEDMN
C#CC[C@H](CO)NCc1cn2cccnc2n1	ZINC000895490147	636151490	/nfs/dbraw/zinc/15/14/90/636151490.db2.gz	NBWRRVHVXOUXBV-SNVBAGLBSA-N	0	1	230.271	0.203	20	30		BCEDMN
CO[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1	ZINC000120287285	634241448	/nfs/dbraw/zinc/24/14/48/634241448.db2.gz	OSSVAOHGHVODRY-PSASIEDQSA-N	0	1	238.287	0.789	20	30		BCEDMN
CC(=O)NC[C@@H]1CCCCN1C[C@H](O)CC#N	ZINC000931338532	634362545	/nfs/dbraw/zinc/36/25/45/634362545.db2.gz	RUHISDNUFMXJPS-NWDGAFQWSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CC[C@@H](CO)CN[C@@H](C)c1cnn(C)n1	ZINC000925698699	634365326	/nfs/dbraw/zinc/36/53/26/634365326.db2.gz	TXFMTFFIGTXZCG-VHSXEESVSA-N	0	1	224.308	0.650	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)C1CC1	ZINC001027707264	635118789	/nfs/dbraw/zinc/11/87/89/635118789.db2.gz	CVIDYRBMMOOFSY-NSHDSACASA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ccc[nH]1	ZINC001027753652	635135153	/nfs/dbraw/zinc/13/51/53/635135153.db2.gz	RADXQXYTMDYONE-LLVKDONJSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)C1=COCCC1	ZINC001027787117	635151516	/nfs/dbraw/zinc/15/15/16/635151516.db2.gz	GBANDEXJFGOBJB-ZDUSSCGKSA-N	0	1	248.326	0.895	20	30		BCEDMN
C=CCN1CCCN(C(=O)c2cn[nH]c2)CC1	ZINC000980750447	635269651	/nfs/dbraw/zinc/26/96/51/635269651.db2.gz	GZOMOAZTCCUHLR-UHFFFAOYSA-N	0	1	234.303	0.744	20	30		BCEDMN
C#CCCN1CCCN(C(=O)[C@@H](C)OC)CC1	ZINC000980786827	635273802	/nfs/dbraw/zinc/27/38/02/635273802.db2.gz	YVFFQUUBIPYASI-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@H](O)C(C)C)CC1	ZINC000981090240	635314389	/nfs/dbraw/zinc/31/43/89/635314389.db2.gz	NWYABPQHCKZJKI-GFCCVEGCSA-N	0	1	240.347	0.724	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ncn[n-]1	ZINC001028213284	635484475	/nfs/dbraw/zinc/48/44/75/635484475.db2.gz	VIKRQLWQSSQERH-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CCNC(=O)CN1CCC(CC)CC1	ZINC000052279399	636144384	/nfs/dbraw/zinc/14/43/84/636144384.db2.gz	JWGZSRPVRQWHOM-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
C#CCN(C(=O)Cc1c[nH]cn1)C(C)C	ZINC000928622471	636208304	/nfs/dbraw/zinc/20/83/04/636208304.db2.gz	CVAGNQUYPHFIQA-UHFFFAOYSA-N	0	1	205.261	0.822	20	30		BCEDMN
C[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)N(C)C	ZINC000928799519	636364824	/nfs/dbraw/zinc/36/48/24/636364824.db2.gz	CXUMXKOXCNJYJX-RQJHMYQMSA-N	0	1	237.225	0.897	20	30		BCEDMN
C[C@H]1[C@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC000986025111	636468651	/nfs/dbraw/zinc/46/86/51/636468651.db2.gz	UGQBBPGAAHRUBF-DTWKUNHWSA-N	0	1	233.275	0.126	20	30		BCEDMN
C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1ccn[nH]1	ZINC000988167551	636682276	/nfs/dbraw/zinc/68/22/76/636682276.db2.gz	SKTUYPMUBSYGGH-BDAKNGLRSA-N	0	1	233.275	0.126	20	30		BCEDMN
C#CCN1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12	ZINC000989883530	636889599	/nfs/dbraw/zinc/88/95/99/636889599.db2.gz	KMSFRJHDKOWEDQ-BXKDBHETSA-N	0	1	242.269	0.998	20	30		BCEDMN
C#CC[C@H]1C(=O)N(c2cnnn2C)N=C1C	ZINC000899355965	637083225	/nfs/dbraw/zinc/08/32/25/637083225.db2.gz	GFWVFCURMAFMJE-MRVPVSSYSA-N	0	1	217.232	0.177	20	30		BCEDMN
CC1/C(=C\c2ccn(C)n2)C(=O)c2ncnn21	ZINC000905087721	637585520	/nfs/dbraw/zinc/58/55/20/637585520.db2.gz	ZBYBXSKQOAWPNZ-AJQDLKILSA-N	0	1	229.243	0.853	20	30		BCEDMN
CC1/C(=C\c2cn(C)cn2)C(=O)c2ncnn21	ZINC000905086706	637586486	/nfs/dbraw/zinc/58/64/86/637586486.db2.gz	TYKRPZNABZPUBV-FHYFFISESA-N	0	1	229.243	0.853	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)CCC1(O)CCC1	ZINC000905104392	637610521	/nfs/dbraw/zinc/61/05/21/637610521.db2.gz	FSXFCMFHGHIOLA-GHMZBOCLSA-N	0	1	226.320	0.792	20	30		BCEDMN
C#CCNC(=O)NCc1cc(N(C)C)ccn1	ZINC000905136377	637646455	/nfs/dbraw/zinc/64/64/55/637646455.db2.gz	OLYOWUKEIBPJKM-UHFFFAOYSA-N	0	1	232.287	0.580	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1nc(C2CC2)no1	ZINC000905151181	637661386	/nfs/dbraw/zinc/66/13/86/637661386.db2.gz	IMIRKVUEUZBAPO-UHFFFAOYSA-N	0	1	248.286	0.242	20	30		BCEDMN
N#CC1(CNC[C@H](O)CCC2(O)CCC2)CC1	ZINC000905244014	637703532	/nfs/dbraw/zinc/70/35/32/637703532.db2.gz	OHVACNLPHTYOFZ-LLVKDONJSA-N	0	1	238.331	0.936	20	30		BCEDMN
N#CC1(CNC[C@@H](O)CC2(O)CCCC2)CC1	ZINC000905242934	637704071	/nfs/dbraw/zinc/70/40/71/637704071.db2.gz	GCYKBTWCLIHCGD-NSHDSACASA-N	0	1	238.331	0.936	20	30		BCEDMN
N#CC1(CNC[C@H](O)C2(O)CCC2)CCC1	ZINC000905291188	637741266	/nfs/dbraw/zinc/74/12/66/637741266.db2.gz	YRMCYKUUDVHYLA-JTQLQIEISA-N	0	1	224.304	0.546	20	30		BCEDMN
Cc1cnc(Cl)c(C=NNC2=NCCN2)c1	ZINC000905478701	637818660	/nfs/dbraw/zinc/81/86/60/637818660.db2.gz	LNQNHQYPPMMSPJ-UHFFFAOYSA-N	0	1	237.694	0.926	20	30		BCEDMN
CC(C)NCc1cn(CCO[C@@H](C)C#N)nn1	ZINC000905804416	637935051	/nfs/dbraw/zinc/93/50/51/637935051.db2.gz	YWQYFOKIWOSXFP-JTQLQIEISA-N	0	1	237.307	0.705	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2cncc(C#N)c2)nn1	ZINC000905838581	637940768	/nfs/dbraw/zinc/94/07/68/637940768.db2.gz	RDICMJYITYBQCC-VIFPVBQESA-N	0	1	242.286	0.873	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cnc[nH]1)[C@H]1CCCO1	ZINC000907489295	638389045	/nfs/dbraw/zinc/38/90/45/638389045.db2.gz	XXPVGDGXRVBFFL-GHMZBOCLSA-N	0	1	233.271	0.249	20	30		BCEDMN
C#C[C@@H](NC(=O)c1[nH]ncc1F)[C@H]1CCCO1	ZINC000907484309	638389749	/nfs/dbraw/zinc/38/97/49/638389749.db2.gz	AHSCZLVEFHZMPP-RKDXNWHRSA-N	0	1	237.234	0.459	20	30		BCEDMN
C=C(C)CNC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000907520477	638403590	/nfs/dbraw/zinc/40/35/90/638403590.db2.gz	DARYYCJZJNALCU-ONGXEEELSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOCC(C)(C)O	ZINC000907793736	638473764	/nfs/dbraw/zinc/47/37/64/638473764.db2.gz	FQTOPZNJJKMUDI-UWVGGRQHSA-N	0	1	243.303	0.786	20	30		BCEDMN
C=CCCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907852012	638487416	/nfs/dbraw/zinc/48/74/16/638487416.db2.gz	GZVCZWZIRMKSJL-ZYHUDNBSSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907963953	638525209	/nfs/dbraw/zinc/52/52/09/638525209.db2.gz	YKLRMCCZHYTEMN-DMDPSCGWSA-N	0	1	240.347	0.912	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)c1[nH]ncc1F	ZINC000907976855	638532913	/nfs/dbraw/zinc/53/29/13/638532913.db2.gz	ARSBETIHSUYTPW-ZETCQYMHSA-N	0	1	225.223	0.053	20	30		BCEDMN
C=C(C)CCNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000908928907	639102940	/nfs/dbraw/zinc/10/29/40/639102940.db2.gz	IQHONMJGSABRBG-PWSUYJOCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCONC(=O)C[C@]1(O)CCC[N@H+](C)C1	ZINC000909283060	639196374	/nfs/dbraw/zinc/19/63/74/639196374.db2.gz	QFQFNLSJOKJQEI-LLVKDONJSA-N	0	1	228.292	0.067	20	30		BCEDMN
CC#CC(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21	ZINC000910647938	639501070	/nfs/dbraw/zinc/50/10/70/639501070.db2.gz	FFNMYXGCFKXKDG-UHFFFAOYSA-N	0	1	244.254	0.532	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)[C@H](CC)C(=O)[O-]	ZINC000911405411	639638377	/nfs/dbraw/zinc/63/83/77/639638377.db2.gz	YZODOQFJZQDOHV-JTQLQIEISA-N	0	1	240.303	0.169	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000911797094	639808517	/nfs/dbraw/zinc/80/85/17/639808517.db2.gz	RDNTYLBILGCWDE-NGZCFLSTSA-N	0	1	212.293	0.132	20	30		BCEDMN
C#C[C@@](C)(CC)NCC(=O)Nc1cccnn1	ZINC000930600472	639816739	/nfs/dbraw/zinc/81/67/39/639816739.db2.gz	JQOLLUFMTPIAQO-LBPRGKRZSA-N	0	1	232.287	0.807	20	30		BCEDMN
C#C[C@@](C)(CC)N[C@@H]1CCN(OC)C1=O	ZINC000930602073	639817271	/nfs/dbraw/zinc/81/72/71/639817271.db2.gz	YJYRTHWCTFSDCQ-KOLCDFICSA-N	0	1	210.277	0.540	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)C[C@@]1(O)CCOC1	ZINC000930693418	639863913	/nfs/dbraw/zinc/86/39/13/639863913.db2.gz	NHNXSYPROXAKSV-WOPDTQHZSA-N	0	1	242.319	0.171	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)C1(O)CCCC1	ZINC000930693460	639865210	/nfs/dbraw/zinc/86/52/10/639865210.db2.gz	OIRQPCWTCVPLBZ-GHMZBOCLSA-N	0	1	226.320	0.934	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C	ZINC000911902647	639884608	/nfs/dbraw/zinc/88/46/08/639884608.db2.gz	ZOQOIXXEKQAVGU-GXSJLCMTSA-N	0	1	228.292	0.065	20	30		BCEDMN
N#Cc1cncc(CN2[C@H](CO)CC[C@H]2CO)c1	ZINC000930903076	639979101	/nfs/dbraw/zinc/97/91/01/639979101.db2.gz	ZLTYERNBJRIOKY-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc2c(c1)CCO2	ZINC000912442312	640061736	/nfs/dbraw/zinc/06/17/36/640061736.db2.gz	IWJRWGIXHVLJFL-UHFFFAOYSA-N	0	1	244.294	0.461	20	30		BCEDMN
C#CC1(O)CCN([C@@H](C)c2n[nH]c(CC)n2)CC1	ZINC000931150833	640077467	/nfs/dbraw/zinc/07/74/67/640077467.db2.gz	BXHNTWWJDKQBPN-JTQLQIEISA-N	0	1	248.330	0.888	20	30		BCEDMN
C#CC1(O)CCN([C@H](C)c2n[nH]c(CC)n2)CC1	ZINC000931150834	640077854	/nfs/dbraw/zinc/07/78/54/640077854.db2.gz	BXHNTWWJDKQBPN-SNVBAGLBSA-N	0	1	248.330	0.888	20	30		BCEDMN
C#CC1(O)CCN(Cc2ccnc(N)c2)CC1	ZINC000931150761	640078897	/nfs/dbraw/zinc/07/88/97/640078897.db2.gz	INQRRAARODXLAJ-UHFFFAOYSA-N	0	1	231.299	0.624	20	30		BCEDMN
C=CCOCCCNC(=O)c1[nH]ncc1F	ZINC000912504630	640098697	/nfs/dbraw/zinc/09/86/97/640098697.db2.gz	YBCWKYIARLZIDQ-UHFFFAOYSA-N	0	1	227.239	0.871	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C	ZINC000912627448	640144309	/nfs/dbraw/zinc/14/43/09/640144309.db2.gz	DRYDOTIGUPRVRG-MWLCHTKSSA-N	0	1	228.292	0.065	20	30		BCEDMN
CCC#C[C@H](C)N1CCN(C)[C@@H](CO)C1	ZINC000931403543	640182850	/nfs/dbraw/zinc/18/28/50/640182850.db2.gz	MUZGYVGUMWHUGQ-NWDGAFQWSA-N	0	1	210.321	0.397	20	30		BCEDMN
C=CCCOCC(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912919459	640242197	/nfs/dbraw/zinc/24/21/97/640242197.db2.gz	LLPJEVBUBXPLON-GFCCVEGCSA-N	0	1	238.331	0.886	20	30		BCEDMN
C=CCOCC(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912917931	640243455	/nfs/dbraw/zinc/24/34/55/640243455.db2.gz	QPONRZCKWLIOGD-LLVKDONJSA-N	0	1	224.304	0.496	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912903126	640244906	/nfs/dbraw/zinc/24/49/06/640244906.db2.gz	JAAGFRKLYBLSJL-NWDGAFQWSA-N	0	1	236.315	0.331	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000912904074	640248698	/nfs/dbraw/zinc/24/86/98/640248698.db2.gz	VPHSPVRKIHFSLH-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
Cc1nc(N2CCN(CCCCC#N)CC2)n[nH]1	ZINC000931624743	640294734	/nfs/dbraw/zinc/29/47/34/640294734.db2.gz	WTZSTISZSQJRGC-UHFFFAOYSA-N	0	1	248.334	0.929	20	30		BCEDMN
C=CCOCC[N@@H+]1CCC(OC)(OC)[C@@H](O)C1	ZINC000931634058	640300452	/nfs/dbraw/zinc/30/04/52/640300452.db2.gz	LSZJMVCSILIUCS-NSHDSACASA-N	0	1	245.319	0.245	20	30		BCEDMN
C=C(C)[C@@H](CO)N[C@H]1COCCC1(OC)OC	ZINC000931673687	640309556	/nfs/dbraw/zinc/30/95/56/640309556.db2.gz	UDSUHSMZDPEMIG-MNOVXSKESA-N	0	1	245.319	0.291	20	30		BCEDMN
CC(C)[C@H](C#N)OC(=O)CCc1nc[nH]n1	ZINC000151208534	640341279	/nfs/dbraw/zinc/34/12/79/640341279.db2.gz	UQRMWMBIEDTBHP-QMMMGPOBSA-N	0	1	222.248	0.829	20	30		BCEDMN
CC[C@H](C)[C@@H](O)C(=O)NCC#CCN(C)C	ZINC000913520645	640382727	/nfs/dbraw/zinc/38/27/27/640382727.db2.gz	WCFRLKBXURTOSQ-WDEREUQCSA-N	0	1	226.320	0.075	20	30		BCEDMN
CO[C@H](CC(C)C)C(=O)NCC#CCN(C)C	ZINC000913523377	640379432	/nfs/dbraw/zinc/37/94/32/640379432.db2.gz	YBRQBLWDTZJFPA-GFCCVEGCSA-N	0	1	240.347	0.729	20	30		BCEDMN
COCCC[C@@H](C)C(=O)NCC#CCN(C)C	ZINC000913520433	640381646	/nfs/dbraw/zinc/38/16/46/640381646.db2.gz	OZKORAWCGAWIHB-GFCCVEGCSA-N	0	1	240.347	0.730	20	30		BCEDMN
CC1=C(C(=O)NCC#CCN(C)C)CCCO1	ZINC000913520304	640381900	/nfs/dbraw/zinc/38/19/00/640381900.db2.gz	MLRZXQNIUAHUEY-UHFFFAOYSA-N	0	1	236.315	0.752	20	30		BCEDMN
Cc1nscc1C(=O)NCC#CCN(C)C	ZINC000913520154	640382509	/nfs/dbraw/zinc/38/25/09/640382509.db2.gz	FWIXKBMVANUWCO-UHFFFAOYSA-N	0	1	237.328	0.746	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCC(C)(C)O	ZINC000913521425	640383120	/nfs/dbraw/zinc/38/31/20/640383120.db2.gz	YTMFHMKZEOXYCH-UHFFFAOYSA-N	0	1	226.320	0.219	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H](C)COC	ZINC000163807642	640418143	/nfs/dbraw/zinc/41/81/43/640418143.db2.gz	UCLFAHHCQQILAI-VIFPVBQESA-N	0	1	201.266	0.842	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)Nc1ccc(C#N)cn1	ZINC000932110755	640429402	/nfs/dbraw/zinc/42/94/02/640429402.db2.gz	JRBHWHQELRVSLA-JTQLQIEISA-N	0	1	245.286	0.779	20	30		BCEDMN
CCOCCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000129569427	640448259	/nfs/dbraw/zinc/44/82/59/640448259.db2.gz	UQDRYBUISOYHFD-JTQLQIEISA-N	0	1	238.287	0.791	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCO[C@H](C)CC1	ZINC000932348789	640491988	/nfs/dbraw/zinc/49/19/88/640491988.db2.gz	IBTRWBCPHZWKBA-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CC1	ZINC000249744988	640578337	/nfs/dbraw/zinc/57/83/37/640578337.db2.gz	ZIDYHIYLULDXAS-LPEHRKFASA-N	0	1	236.271	0.399	20	30		BCEDMN
C#CCN1CCC([C@H]2COC(=O)N2)CC1	ZINC000932785451	640610450	/nfs/dbraw/zinc/61/04/50/640610450.db2.gz	VBFUMPOGFJDFTI-SNVBAGLBSA-N	0	1	208.261	0.440	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@H](OCC)C1	ZINC000932979268	640661101	/nfs/dbraw/zinc/66/11/01/640661101.db2.gz	GHJMWEUVDPQYNC-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
CC[C@@H]1C(=O)NCCCN1CCO[C@@H](C)C#N	ZINC000933217276	640681684	/nfs/dbraw/zinc/68/16/84/640681684.db2.gz	YKOAFUVEIBFTJS-WDEREUQCSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCC1(NCc2nnc3n2CCOC3)CCC1	ZINC000933295238	640700869	/nfs/dbraw/zinc/70/08/69/640700869.db2.gz	RWTRCUXJJBHLCH-UHFFFAOYSA-N	0	1	246.314	0.844	20	30		BCEDMN
Cc1nc(CN2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000933606691	640732214	/nfs/dbraw/zinc/73/22/14/640732214.db2.gz	KJRWITIXSLIJOF-JTQLQIEISA-N	0	1	221.264	0.228	20	30		BCEDMN
CC#CCN1CC(NC(=O)[C@H]2CCCCN2C)C1	ZINC001030533151	640900475	/nfs/dbraw/zinc/90/04/75/640900475.db2.gz	GSNCBYPZICLLNJ-CYBMUJFWSA-N	0	1	249.358	0.294	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)CN(C)C	ZINC000170769728	640922348	/nfs/dbraw/zinc/92/23/48/640922348.db2.gz	ALCXYOYBBFWJNO-UHFFFAOYSA-N	0	1	228.292	0.126	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C	ZINC000172020410	641027151	/nfs/dbraw/zinc/02/71/51/641027151.db2.gz	RVGSFKYQPRBVFP-VHSXEESVSA-N	0	1	240.303	0.750	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C	ZINC000172020408	641027897	/nfs/dbraw/zinc/02/78/97/641027897.db2.gz	RVGSFKYQPRBVFP-NXEZZACHSA-N	0	1	240.303	0.750	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@@H]2CC[C@H]2OC)C1=O	ZINC000934109581	641074858	/nfs/dbraw/zinc/07/48/58/641074858.db2.gz	AXYIUTCZUZVFII-GRYCIOLGSA-N	0	1	238.331	0.883	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H](C)c1cncs1	ZINC000934200592	641099009	/nfs/dbraw/zinc/09/90/09/641099009.db2.gz	MHYWZLJQEXRFCZ-BDAKNGLRSA-N	0	1	237.328	0.932	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cn2cccn2)C1	ZINC000971078619	641146026	/nfs/dbraw/zinc/14/60/26/641146026.db2.gz	WJGBBKCOMOCPTJ-LBPRGKRZSA-N	0	1	246.314	0.049	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@H]1CCN(OC)C1=O	ZINC000934461461	641153754	/nfs/dbraw/zinc/15/37/54/641153754.db2.gz	NGEIUQJWYRENHJ-ZJUUUORDSA-N	0	1	210.277	0.799	20	30		BCEDMN
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C#CCCCNC(=O)CSc1nnc(C)[nH]1	ZINC000173366971	641174661	/nfs/dbraw/zinc/17/46/61/641174661.db2.gz	PNRZARMPYCDUSU-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
C#CCCCNC(=O)CSc1nc(C)n[nH]1	ZINC000173366971	641174665	/nfs/dbraw/zinc/17/46/65/641174665.db2.gz	PNRZARMPYCDUSU-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
C#C[C@H]1CCCCN1C[C@@H](O)CC(=O)OCC	ZINC000934515520	641182978	/nfs/dbraw/zinc/18/29/78/641182978.db2.gz	MRSDZPLNGYSISZ-RYUDHWBXSA-N	0	1	239.315	0.788	20	30		BCEDMN
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C#CCN1CCC[C@@H](NC(=O)C2CC2)[C@H]1C	ZINC000992972763	641687660	/nfs/dbraw/zinc/68/76/60/641687660.db2.gz	FHCGMSDEUXWOFX-ZYHUDNBSSA-N	0	1	220.316	0.999	20	30		BCEDMN
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C#CCN1CC(N(CC)C(=O)c2cnc(C)[nH]2)C1	ZINC000949780707	641862193	/nfs/dbraw/zinc/86/21/93/641862193.db2.gz	SEQVGOLRNNCWKW-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
N#C[C@@H]1CN(C(=O)c2cnc[nH]2)CCN1C1CC1	ZINC000732678281	641865363	/nfs/dbraw/zinc/86/53/63/641865363.db2.gz	ZOPAIBIQJSMFNB-SNVBAGLBSA-N	0	1	245.286	0.222	20	30		BCEDMN
C=CCN1CC(NC(=O)C(C)(C)c2cnc[nH]2)C1	ZINC001031259727	641867468	/nfs/dbraw/zinc/86/74/68/641867468.db2.gz	BLQRWBYGQRQDFZ-UHFFFAOYSA-N	0	1	248.330	0.674	20	30		BCEDMN
Cc1[nH]ncc1CN=Nc1ncccn1	ZINC000915959304	641888039	/nfs/dbraw/zinc/88/80/39/641888039.db2.gz	MQVIIXUXCDGKIR-UHFFFAOYSA-N	0	1	202.221	0.954	20	30		BCEDMN
CCN1c2ccc(C)cc2C(=NNC(=N)N)C1=O	ZINC000916659205	641963137	/nfs/dbraw/zinc/96/31/37/641963137.db2.gz	NXLWNXSITQPVPY-UHFFFAOYSA-N	0	1	245.286	0.549	20	30		BCEDMN
CCOCCCNC(=O)C(C#N)C(C)=O	ZINC000916867876	641982636	/nfs/dbraw/zinc/98/26/36/641982636.db2.gz	HVZDNTGSIDOADY-VIFPVBQESA-N	0	1	212.249	0.258	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C)C1	ZINC000925431731	641984590	/nfs/dbraw/zinc/98/45/90/641984590.db2.gz	JRLXTQFHLVBVCD-NEPJUHHUSA-N	0	1	235.331	0.745	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CC[C@](C)(C#N)C1	ZINC000925435106	642029370	/nfs/dbraw/zinc/02/93/70/642029370.db2.gz	OIDPWBVMDFLMTK-ZYHUDNBSSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=CCN1CC(NC(=O)CN2CCCC2)C1	ZINC001031389022	642054618	/nfs/dbraw/zinc/05/46/18/642054618.db2.gz	WRKYLYRGRGMKFE-UHFFFAOYSA-N	0	1	223.320	0.069	20	30		BCEDMN
C#CCOCCC(=O)N[C@H](C)c1nnc[nH]1	ZINC000154399778	642065081	/nfs/dbraw/zinc/06/50/81/642065081.db2.gz	HPQWFGANESKVSQ-MRVPVSSYSA-N	0	1	222.248	0.022	20	30		BCEDMN
C=CCNC(=S)N[C@@H]1CCC[N@H+](C)C1	ZINC000918720125	642258494	/nfs/dbraw/zinc/25/84/94/642258494.db2.gz	SPSCAESCWOKKKU-SECBINFHSA-N	0	1	213.350	0.731	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2C)C1	ZINC001031519765	642260247	/nfs/dbraw/zinc/26/02/47/642260247.db2.gz	HSBCBXKJDLNCEL-MWLCHTKSSA-N	0	1	208.305	0.876	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C)on2)C1	ZINC001031531477	642273862	/nfs/dbraw/zinc/27/38/62/642273862.db2.gz	WZSXMHBHCXTZEE-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cccn2C)C1	ZINC001031553380	642296960	/nfs/dbraw/zinc/29/69/60/642296960.db2.gz	JNFDKMMVSFDHGH-UHFFFAOYSA-N	0	1	233.315	0.873	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1	ZINC000971183276	642316473	/nfs/dbraw/zinc/31/64/73/642316473.db2.gz	CQKSZFNNVUZBHG-LLVKDONJSA-N	0	1	246.314	0.200	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)[C@H]2CCOC2)C1	ZINC001031570494	642321164	/nfs/dbraw/zinc/32/11/64/642321164.db2.gz	CCAAJIALCUXRSV-LBPRGKRZSA-N	0	1	238.331	0.647	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@@H](N(C)CC#N)C2)[nH]1	ZINC000971210816	642325705	/nfs/dbraw/zinc/32/57/05/642325705.db2.gz	KDDKXQFCFPBFKF-SNVBAGLBSA-N	0	1	247.302	0.388	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@H](N(C)CC#N)C2)[nH]1	ZINC000971210813	642326289	/nfs/dbraw/zinc/32/62/89/642326289.db2.gz	KDDKXQFCFPBFKF-JTQLQIEISA-N	0	1	247.302	0.388	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1	ZINC000971211980	642326716	/nfs/dbraw/zinc/32/67/16/642326716.db2.gz	WASDAWHPNPRYOU-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1	ZINC000971245471	642332197	/nfs/dbraw/zinc/33/21/97/642332197.db2.gz	FFFLXFCIFKBZAJ-LBPRGKRZSA-N	0	1	246.314	0.118	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cnc(C)[nH]2)C1	ZINC001031581860	642333468	/nfs/dbraw/zinc/33/34/68/642333468.db2.gz	LBYPTXWAFJEEME-UHFFFAOYSA-N	0	1	248.330	0.956	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cccc(=O)[nH]2)C1	ZINC001031600091	642361370	/nfs/dbraw/zinc/36/13/70/642361370.db2.gz	FQCHYUCTVGKJML-UHFFFAOYSA-N	0	1	247.298	0.635	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2=CCOCC2)C1	ZINC000971389687	642398211	/nfs/dbraw/zinc/39/82/11/642398211.db2.gz	UKJGQGGRLIBLRH-CYBMUJFWSA-N	0	1	248.326	0.499	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2coc(C)n2)C1	ZINC001031627376	642406210	/nfs/dbraw/zinc/40/62/10/642406210.db2.gz	JYYJSZBNZMAGPW-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnnc(C)c2)C1	ZINC001031634220	642418142	/nfs/dbraw/zinc/41/81/42/642418142.db2.gz	PKYVYNDURVPJHC-UHFFFAOYSA-N	0	1	246.314	0.633	20	30		BCEDMN
CCO[C@@H](CC)C(=O)C(C#N)C(=O)NC1CC1	ZINC000920110014	642436368	/nfs/dbraw/zinc/43/63/68/642436368.db2.gz	MCJLMSFYTPNYIA-ZJUUUORDSA-N	0	1	238.287	0.789	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cn(C)nn2)C1	ZINC001031650029	642449240	/nfs/dbraw/zinc/44/92/40/642449240.db2.gz	RQXFZWKWSXNATK-UHFFFAOYSA-N	0	1	249.318	0.053	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NCC#N)C2)c1C	ZINC001021905718	642452408	/nfs/dbraw/zinc/45/24/08/642452408.db2.gz	VJJROTFHRUHJFD-AOOOYVTPSA-N	0	1	247.302	0.401	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccc(C)nn2)C1	ZINC001031658344	642491910	/nfs/dbraw/zinc/49/19/10/642491910.db2.gz	ZUEBJAHOXYVCFI-UHFFFAOYSA-N	0	1	246.314	0.633	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC[C@H]2C)CC1	ZINC000920463338	642502642	/nfs/dbraw/zinc/50/26/42/642502642.db2.gz	IZLQMUFYSSIAQO-LLVKDONJSA-N	0	1	220.316	0.952	20	30		BCEDMN
CCS(=O)(=O)CCNCC1(CC#N)CC1	ZINC000233819615	642696619	/nfs/dbraw/zinc/69/66/19/642696619.db2.gz	IOEQREKBKNKJDO-UHFFFAOYSA-N	0	1	230.333	0.705	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CC2	ZINC000961887641	642708924	/nfs/dbraw/zinc/70/89/24/642708924.db2.gz	MCTHOTYMYYDDLH-QNWHQSFQSA-N	0	1	244.338	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1	ZINC000962664409	642731777	/nfs/dbraw/zinc/73/17/77/642731777.db2.gz	IZRRBUOYALHUCV-IMRBUKKESA-N	0	1	243.310	0.237	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cn2cccn2)C1	ZINC001006745922	642824278	/nfs/dbraw/zinc/82/42/78/642824278.db2.gz	PBHYTRMCDXRWLN-GFCCVEGCSA-N	0	1	248.330	0.650	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2ccon2)C1	ZINC001006843015	642824889	/nfs/dbraw/zinc/82/48/89/642824889.db2.gz	AXVVBSYYJUJRJP-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCCN1CCC[C@H](NC(=O)c2ccon2)C1	ZINC001006843017	642825736	/nfs/dbraw/zinc/82/57/36/642825736.db2.gz	AXVVBSYYJUJRJP-NSHDSACASA-N	0	1	247.298	0.892	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001008983088	642836554	/nfs/dbraw/zinc/83/65/54/642836554.db2.gz	UVJADLUGNXXQRO-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1	ZINC001031789220	642848474	/nfs/dbraw/zinc/84/84/74/642848474.db2.gz	MLSUDSMOZHLBNX-JQWIXIFHSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cc(C)no2)C1	ZINC001010164216	642851952	/nfs/dbraw/zinc/85/19/52/642851952.db2.gz	DDVJEMJLUFLHPU-LLVKDONJSA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C[C@H]2CCCO2)C1	ZINC001010251892	642854130	/nfs/dbraw/zinc/85/41/30/642854130.db2.gz	VDGXQDZEQZXEKE-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C)C1	ZINC001010192905	642854263	/nfs/dbraw/zinc/85/42/63/642854263.db2.gz	FKJTWWPHVVZOEH-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cncnc2C)C1	ZINC001010262881	642857394	/nfs/dbraw/zinc/85/73/94/642857394.db2.gz	ZNBDVNIKCSUKLY-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1	ZINC001010285505	642858184	/nfs/dbraw/zinc/85/81/84/642858184.db2.gz	KOWTWURUUPOZDE-VXGBXAGGSA-N	0	1	248.330	0.821	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cn[nH]c2)C1	ZINC001010304960	642858400	/nfs/dbraw/zinc/85/84/00/642858400.db2.gz	VMZJRCSCVYFARE-SNVBAGLBSA-N	0	1	220.276	0.400	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C[C@H]2CCOC2)C1	ZINC001010408535	642862814	/nfs/dbraw/zinc/86/28/14/642862814.db2.gz	PILNLPVLLAZYTA-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001010405179	642863258	/nfs/dbraw/zinc/86/32/58/642863258.db2.gz	SLPFWZPQEGETJF-LLVKDONJSA-N	0	1	234.303	0.329	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)C1	ZINC001010521984	642866839	/nfs/dbraw/zinc/86/68/39/642866839.db2.gz	ZRUGIYCWRDRNAU-NSHDSACASA-N	0	1	246.314	0.084	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001010521984	642866840	/nfs/dbraw/zinc/86/68/40/642866840.db2.gz	ZRUGIYCWRDRNAU-NSHDSACASA-N	0	1	246.314	0.084	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cn(C)cn2)C1	ZINC001010551173	642867988	/nfs/dbraw/zinc/86/79/88/642867988.db2.gz	KTKMTZFWGGHWJQ-JTQLQIEISA-N	0	1	234.303	0.410	20	30		BCEDMN
C#CC[N@H+]1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001010719177	642871764	/nfs/dbraw/zinc/87/17/64/642871764.db2.gz	IZOXSXBGFDIWGT-JTQLQIEISA-N	0	1	245.282	0.225	20	30		BCEDMN
C#CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001010719177	642871766	/nfs/dbraw/zinc/87/17/66/642871766.db2.gz	IZOXSXBGFDIWGT-JTQLQIEISA-N	0	1	245.282	0.225	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)C2=CCOCC2)C1	ZINC001010721238	642872443	/nfs/dbraw/zinc/87/24/43/642872443.db2.gz	PJVVYVHBIGFIMT-ZDUSSCGKSA-N	0	1	248.326	0.547	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnnn2CC)C1	ZINC001010859273	642875768	/nfs/dbraw/zinc/87/57/68/642875768.db2.gz	XPVDZTQRMFOYPV-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2cncn2C)C1	ZINC001015130923	642895138	/nfs/dbraw/zinc/89/51/38/642895138.db2.gz	GRDSUDTVDGWIJI-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1	ZINC001015522716	642902973	/nfs/dbraw/zinc/90/29/73/642902973.db2.gz	LUJASTRCNDZHKA-IJLUTSLNSA-N	0	1	220.316	0.856	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001015537250	642906514	/nfs/dbraw/zinc/90/65/14/642906514.db2.gz	LUJASTRCNDZHKA-SRVKXCTJSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC001015731397	642923277	/nfs/dbraw/zinc/92/32/77/642923277.db2.gz	KFPLBNZIKHYFHG-GRYCIOLGSA-N	0	1	238.331	0.930	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccnnc2)C1	ZINC001015747887	642929499	/nfs/dbraw/zinc/92/94/99/642929499.db2.gz	WZURULBDJQSXGA-LLVKDONJSA-N	0	1	232.287	0.467	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ccncn2)C1	ZINC001015877570	642938671	/nfs/dbraw/zinc/93/86/71/642938671.db2.gz	MUAUKMKYYQAYCO-NSHDSACASA-N	0	1	244.298	0.304	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001016245293	642950450	/nfs/dbraw/zinc/95/04/50/642950450.db2.gz	GJLDMVGBAQQWSC-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)C1	ZINC001016394229	642953211	/nfs/dbraw/zinc/95/32/11/642953211.db2.gz	LXJRRDIIZMUVNF-NSHDSACASA-N	0	1	234.303	0.260	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cn2ccnc2)C1	ZINC001016394229	642953224	/nfs/dbraw/zinc/95/32/24/642953224.db2.gz	LXJRRDIIZMUVNF-NSHDSACASA-N	0	1	234.303	0.260	20	30		BCEDMN
C=CC[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016315280	642954988	/nfs/dbraw/zinc/95/49/88/642954988.db2.gz	QEQCAGJYWRJYFM-LBPRGKRZSA-N	0	1	233.315	0.934	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016315280	642954993	/nfs/dbraw/zinc/95/49/93/642954993.db2.gz	QEQCAGJYWRJYFM-LBPRGKRZSA-N	0	1	233.315	0.934	20	30		BCEDMN
C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCCC2)C1	ZINC001016259351	642955611	/nfs/dbraw/zinc/95/56/11/642955611.db2.gz	PIHYOTIZLQXQBR-GFCCVEGCSA-N	0	1	237.347	0.459	20	30		BCEDMN
C=C(Cl)CN[C@H]1CCN(C(=O)COC)C1	ZINC001018387379	642986446	/nfs/dbraw/zinc/98/64/46/642986446.db2.gz	AHVGDEUERWUBAQ-VIFPVBQESA-N	0	1	232.711	0.576	20	30		BCEDMN
C#CCSCCNC(=O)CCc1cnc[nH]1	ZINC000280163058	643039913	/nfs/dbraw/zinc/03/99/13/643039913.db2.gz	OJXGBGCUKLNOGK-UHFFFAOYSA-N	0	1	237.328	0.825	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCCO1	ZINC000130999821	643091338	/nfs/dbraw/zinc/09/13/38/643091338.db2.gz	RSCITUGMMWCCDM-UWVGGRQHSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cocn2)[C@H](C)C1	ZINC000941884541	643148829	/nfs/dbraw/zinc/14/88/29/643148829.db2.gz	HHPWMWIRWHWPRU-MNOVXSKESA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2[nH]c(C)nc2C)C1	ZINC001031985169	643155004	/nfs/dbraw/zinc/15/50/04/643155004.db2.gz	PFGNGNPYSRGITC-UHFFFAOYSA-N	0	1	248.330	0.874	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1	ZINC001010495734	643179431	/nfs/dbraw/zinc/17/94/31/643179431.db2.gz	JXZLOLIJJJPWPX-NSHDSACASA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nccs2)C1	ZINC001032067063	643226964	/nfs/dbraw/zinc/22/69/64/643226964.db2.gz	ARFOXVWQRPRYJQ-UHFFFAOYSA-N	0	1	237.328	0.991	20	30		BCEDMN
C#CCOC(=O)CCCCc1cn[nH]n1	ZINC000185503407	643318049	/nfs/dbraw/zinc/31/80/49/643318049.db2.gz	YFABVZOENPYUPD-UHFFFAOYSA-N	0	1	207.233	0.694	20	30		BCEDMN
CC1(C)CN(C(=O)c2ccn[nH]2)C[C@@H]1NCC#N	ZINC000995525474	643325164	/nfs/dbraw/zinc/32/51/64/643325164.db2.gz	KDTJINNXMRPIGX-JTQLQIEISA-N	0	1	247.302	0.373	20	30		BCEDMN
C#CCNC(=O)CCN1CCn2cccc2C1	ZINC000932525426	643348014	/nfs/dbraw/zinc/34/80/14/643348014.db2.gz	XNDNJAYMVCSHOK-UHFFFAOYSA-N	0	1	231.299	0.443	20	30		BCEDMN
COC[C@@H](O)CN(CCC#N)CC(C)C	ZINC000068891221	643432204	/nfs/dbraw/zinc/43/22/04/643432204.db2.gz	VOUWVDFQEXNINQ-NSHDSACASA-N	0	1	214.309	0.865	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OC	ZINC001032302206	643471711	/nfs/dbraw/zinc/47/17/11/643471711.db2.gz	UDVGRUSAMIPLDU-SRVKXCTJSA-N	0	1	236.315	0.330	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cccnn2)C1	ZINC000970635503	643488005	/nfs/dbraw/zinc/48/80/05/643488005.db2.gz	ZOXNNIKOIREBDT-SNVBAGLBSA-N	0	1	246.314	0.713	20	30		BCEDMN
CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1	ZINC001032335976	643526473	/nfs/dbraw/zinc/52/64/73/643526473.db2.gz	DHPFVEOQMCWFEB-QWRGUYRKSA-N	0	1	244.298	0.805	20	30		BCEDMN
N#C[C@H](NC(=O)CCc1c[nH]nn1)C1CCCC1	ZINC000921549121	643599742	/nfs/dbraw/zinc/59/97/42/643599742.db2.gz	DCYPPCMDJFIKKW-NSHDSACASA-N	0	1	247.302	0.936	20	30		BCEDMN
N#C[C@H](NC(=O)CCc1cnn[nH]1)C1CCCC1	ZINC000921549121	643599749	/nfs/dbraw/zinc/59/97/49/643599749.db2.gz	DCYPPCMDJFIKKW-NSHDSACASA-N	0	1	247.302	0.936	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2CC2)C1	ZINC000970924381	643619540	/nfs/dbraw/zinc/61/95/40/643619540.db2.gz	OGWDABJEHOAQEK-LLVKDONJSA-N	0	1	206.289	0.562	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2[nH]cnc2C)C1	ZINC000970980756	643649042	/nfs/dbraw/zinc/64/90/42/643649042.db2.gz	GGDFACZEDWDCIV-SECBINFHSA-N	0	1	248.330	0.954	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1	ZINC000970980758	643649688	/nfs/dbraw/zinc/64/96/88/643649688.db2.gz	GGDFACZEDWDCIV-VIFPVBQESA-N	0	1	248.330	0.954	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1	ZINC000971057971	643688072	/nfs/dbraw/zinc/68/80/72/643688072.db2.gz	DLBYKBPBUUVPAJ-LLVKDONJSA-N	0	1	231.299	0.794	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NC[C@@H]1CCN1C	ZINC000921881718	643816456	/nfs/dbraw/zinc/81/64/56/643816456.db2.gz	UTIUHDGLSZDQJY-BDAKNGLRSA-N	0	1	210.281	0.149	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2cocn2)CC1	ZINC001002465914	643826937	/nfs/dbraw/zinc/82/69/37/643826937.db2.gz	PBONIRIZCCBDOT-UHFFFAOYSA-N	0	1	247.298	0.892	20	30		BCEDMN
COC[C@@H](CO)NCc1csc(C#N)c1	ZINC000922080043	643860748	/nfs/dbraw/zinc/86/07/48/643860748.db2.gz	BFVWASSRGWOEPF-SECBINFHSA-N	0	1	226.301	0.717	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCCC#N)CC1	ZINC000922229858	643911405	/nfs/dbraw/zinc/91/14/05/643911405.db2.gz	WMBYEYOGLTYGAU-UHFFFAOYSA-N	0	1	234.303	0.297	20	30		BCEDMN
C#CC[C@H](COC)NCc1cnn(CCF)c1	ZINC000922299734	643960052	/nfs/dbraw/zinc/96/00/52/643960052.db2.gz	QXHZMGIPVCXXHM-GFCCVEGCSA-N	0	1	239.294	0.981	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NC[C@H]1CCN1C	ZINC000922526818	644013970	/nfs/dbraw/zinc/01/39/70/644013970.db2.gz	UXNIRQRFXKQRNJ-NXEZZACHSA-N	0	1	209.293	0.402	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2cocn2)CC1	ZINC001005163304	644174741	/nfs/dbraw/zinc/17/47/41/644174741.db2.gz	QWACOJNLIJMKHP-UHFFFAOYSA-N	0	1	247.298	0.844	20	30		BCEDMN
C#CCC1(NCc2ncnn2C)CCC1	ZINC000923000229	644218738	/nfs/dbraw/zinc/21/87/38/644218738.db2.gz	ZMVFMWCPZOJRTI-UHFFFAOYSA-N	0	1	204.277	0.851	20	30		BCEDMN
C=C(C)CONC(=O)NC[C@H]1CCN1C	ZINC000923079936	644259611	/nfs/dbraw/zinc/25/96/11/644259611.db2.gz	IMARERNSPWBMFJ-SECBINFHSA-N	0	1	213.281	0.497	20	30		BCEDMN
O=C(C#Cc1ccccc1)NCCc1nc[nH]n1	ZINC000080585746	644277628	/nfs/dbraw/zinc/27/76/28/644277628.db2.gz	ZTMNXMYTVGINIB-UHFFFAOYSA-N	0	1	240.266	0.515	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000923218703	644290698	/nfs/dbraw/zinc/29/06/98/644290698.db2.gz	XVDZHMHQRNDOLM-IVZWLZJFSA-N	0	1	209.293	0.400	20	30		BCEDMN
C#CCNCC(=O)NCCc1ccccc1	ZINC000087555835	644498724	/nfs/dbraw/zinc/49/87/24/644498724.db2.gz	MCSQROZDBMRIPB-UHFFFAOYSA-N	0	1	216.284	0.568	20	30		BCEDMN
C#CCNCC(=O)NC[C@H](O)c1ccccc1	ZINC000092492204	644660390	/nfs/dbraw/zinc/66/03/90/644660390.db2.gz	SXIRUYQHIJCVTH-LBPRGKRZSA-N	0	1	232.283	0.059	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)CC1(C)C	ZINC000766618872	644667833	/nfs/dbraw/zinc/66/78/33/644667833.db2.gz	WCJJWPVYHCOSRV-UHFFFAOYSA-N	0	1	238.331	0.579	20	30		BCEDMN
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC(C)C	ZINC000249717872	644733930	/nfs/dbraw/zinc/73/39/30/644733930.db2.gz	JYTRMQMHHUOPBA-LPEHRKFASA-N	0	1	238.287	0.645	20	30		BCEDMN
C#CCN1C[C@H](O)[C@@H](CNC(=O)C2=CCCC2)C1	ZINC000957964240	644763432	/nfs/dbraw/zinc/76/34/32/644763432.db2.gz	AUYZJSADRBNQSG-STQMWFEESA-N	0	1	248.326	0.139	20	30		BCEDMN
C#CCN1C[C@@H](CNC(=O)C2=CCCC2)[C@H](O)C1	ZINC000957964237	644763444	/nfs/dbraw/zinc/76/34/44/644763444.db2.gz	AUYZJSADRBNQSG-CHWSQXEVSA-N	0	1	248.326	0.139	20	30		BCEDMN
C#CCN1C[C@@H](O)[C@@H](CNC(=O)C2=CCCC2)C1	ZINC000957964239	644763538	/nfs/dbraw/zinc/76/35/38/644763538.db2.gz	AUYZJSADRBNQSG-QWHCGFSZSA-N	0	1	248.326	0.139	20	30		BCEDMN
COC[C@H](C#N)OC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000785369175	644768604	/nfs/dbraw/zinc/76/86/04/644768604.db2.gz	UWDGSQMLKLJFCO-DTWKUNHWSA-N	0	1	249.270	0.911	20	30		BCEDMN
CC(C)N1CCN(C(=O)NCCC#N)CC1	ZINC000787356331	644784000	/nfs/dbraw/zinc/78/40/00/644784000.db2.gz	QYEDZOFTCZMVNZ-UHFFFAOYSA-N	0	1	224.308	0.636	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1	ZINC000958360326	644791657	/nfs/dbraw/zinc/79/16/57/644791657.db2.gz	JNOSHJSYDGNDII-NDBYEHHHSA-N	0	1	248.326	0.093	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC(C)(C)C1	ZINC000796800840	644813073	/nfs/dbraw/zinc/81/30/73/644813073.db2.gz	YJVXGFNZKUXZIL-QMMMGPOBSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#Cc1cncc(C(=O)NCCc2nc[nH]n2)c1	ZINC000806941939	644856778	/nfs/dbraw/zinc/85/67/78/644856778.db2.gz	QQSWBTPTQQMIHB-UHFFFAOYSA-N	0	1	241.254	0.154	20	30		BCEDMN
C#CCO[N-]C(=O)C[N@H+](C)[C@H]1CCSC1	ZINC000812783402	644931379	/nfs/dbraw/zinc/93/13/79/644931379.db2.gz	NLCJPSWFEGZUFN-VIFPVBQESA-N	0	1	228.317	0.105	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C)CC(C)(C)C#N	ZINC000817617852	644990081	/nfs/dbraw/zinc/99/00/81/644990081.db2.gz	HSQJWSJTLFHUCZ-UHFFFAOYSA-N	0	1	221.264	0.735	20	30		BCEDMN
CSC[C@H](O)CNCc1ccc(C#N)cn1	ZINC000819312624	645010354	/nfs/dbraw/zinc/01/03/54/645010354.db2.gz	UYSUXBJTUMCUJW-LLVKDONJSA-N	0	1	237.328	0.767	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CN1CCCC1	ZINC000821712089	645036762	/nfs/dbraw/zinc/03/67/62/645036762.db2.gz	MPIZUNXSIDECCW-LLVKDONJSA-N	0	1	226.320	0.383	20	30		BCEDMN
C#CC1CCN(CC(=O)NCCC)CC1	ZINC000830300995	645117843	/nfs/dbraw/zinc/11/78/43/645117843.db2.gz	FSODZFVQVNVVRB-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
C#CC1CCN(CC(=O)NC(=O)NCC)CC1	ZINC000830301342	645118988	/nfs/dbraw/zinc/11/89/88/645118988.db2.gz	JUIDOJCQCKESBT-UHFFFAOYSA-N	0	1	237.303	0.177	20	30		BCEDMN
CCOCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834521241	645143118	/nfs/dbraw/zinc/14/31/18/645143118.db2.gz	FQJUHLZHGBPIED-NXEZZACHSA-N	0	1	225.292	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000834484123	645143250	/nfs/dbraw/zinc/14/32/50/645143250.db2.gz	DYPULBPFOBDFQW-OOCWMUITSA-N	0	1	233.315	0.650	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)[nH]n1	ZINC000834521463	645143507	/nfs/dbraw/zinc/14/35/07/645143507.db2.gz	JQKOIEFFUHRWIU-GZMMTYOYSA-N	0	1	247.302	0.374	20	30		BCEDMN
Cc1ncsc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834521347	645143905	/nfs/dbraw/zinc/14/39/05/645143905.db2.gz	GVTZNPVVDFYISS-JGVFFNPUSA-N	0	1	236.300	0.293	20	30		BCEDMN
C[C@@H]1CC(N=Nc2ccncn2)C[N@H+]1C	ZINC000835002919	645157416	/nfs/dbraw/zinc/15/74/16/645157416.db2.gz	URQSLMIUUYGHRN-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H]1CC(N=Nc2ccncn2)CN1C	ZINC000835002919	645157420	/nfs/dbraw/zinc/15/74/20/645157420.db2.gz	URQSLMIUUYGHRN-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC)C[C@@H]1CC	ZINC000836946993	645184316	/nfs/dbraw/zinc/18/43/16/645184316.db2.gz	FVUZLIPIUNNJHY-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
C[C@H](NC(=O)N[C@@H]1CNC[C@@H]1C#N)C1CC1	ZINC000841507113	645217501	/nfs/dbraw/zinc/21/75/01/645217501.db2.gz	SLTRCJLCTNDCQY-UJNFCWOMSA-N	0	1	222.292	0.196	20	30		BCEDMN
CC1(C)OC[C@@H](CN2CC[C@@](O)(CC#N)C2)O1	ZINC000852204641	645471866	/nfs/dbraw/zinc/47/18/66/645471866.db2.gz	FDZPGKAUHURIER-PWSUYJOCSA-N	0	1	240.303	0.488	20	30		BCEDMN
C#Cc1cccnc1NCc1n[nH]c(COC)n1	ZINC000853808183	645501254	/nfs/dbraw/zinc/50/12/54/645501254.db2.gz	RWVJPYUVAAMDAA-UHFFFAOYSA-N	0	1	243.270	0.940	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1n[nH]c(C)n1)C(C)(C)C	ZINC000854479212	645507281	/nfs/dbraw/zinc/50/72/81/645507281.db2.gz	GYTYDCQZQQAXNJ-SECBINFHSA-N	0	1	234.303	0.820	20	30		BCEDMN
CC#CC(=O)NCc1cc(N(C)C)ccn1	ZINC000927698888	645639287	/nfs/dbraw/zinc/63/92/87/645639287.db2.gz	FXKDIFBACDWRCJ-UHFFFAOYSA-N	0	1	217.272	0.787	20	30		BCEDMN
CC#CC(=O)N[C@H]1CCCN2CCSC[C@@H]12	ZINC000928087955	645701330	/nfs/dbraw/zinc/70/13/30/645701330.db2.gz	WRTBHOHFTMJQNS-QWRGUYRKSA-N	0	1	238.356	0.706	20	30		BCEDMN
C#CCOCCNC(=O)CN(C)C1CCC1	ZINC000863905584	645708995	/nfs/dbraw/zinc/70/89/95/645708995.db2.gz	JUMIYMQPVQKNQK-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C	ZINC000928573473	645832785	/nfs/dbraw/zinc/83/27/85/645832785.db2.gz	OTESRVMSPROTFF-QJPTWQEYSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CC[C@H](CO)NCc1cn2cccc(F)c2n1	ZINC000883124560	645849661	/nfs/dbraw/zinc/84/96/61/645849661.db2.gz	KDNBYAIBABWMET-SNVBAGLBSA-N	0	1	247.273	0.947	20	30		BCEDMN
C#CC[C@@H](CO)NCc1conc1CC	ZINC000883124452	645849704	/nfs/dbraw/zinc/84/97/04/645849704.db2.gz	HGKOPWCCQVEWKD-JTQLQIEISA-N	0	1	208.261	0.711	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cncn2C)CC1	ZINC000928652914	645853205	/nfs/dbraw/zinc/85/32/05/645853205.db2.gz	RDBUNBCSXQVDPZ-UHFFFAOYSA-N	0	1	246.314	0.248	20	30		BCEDMN
C[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)N(C)C	ZINC000928799515	645858719	/nfs/dbraw/zinc/85/87/19/645858719.db2.gz	CXUMXKOXCNJYJX-BQBZGAKWSA-N	0	1	237.225	0.897	20	30		BCEDMN
C=CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	ZINC000929169662	645985157	/nfs/dbraw/zinc/98/51/57/645985157.db2.gz	ZZDYQXMWLMBRGL-UHFFFAOYSA-N	0	1	237.303	0.677	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CC[C@@](F)(C#N)C1	ZINC000925419883	646270644	/nfs/dbraw/zinc/27/06/44/646270644.db2.gz	GZBKGPTWJBQLNI-GXSJLCMTSA-N	0	1	240.282	0.338	20	30		BCEDMN
C#CCN(C(=O)NC[C@H]1CCN1C)C(C)C	ZINC000925430698	646279429	/nfs/dbraw/zinc/27/94/29/646279429.db2.gz	BFIOUXKRRNLMIS-LLVKDONJSA-N	0	1	223.320	0.744	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCc2nn(C)c(=O)cc2C1	ZINC000929755191	646285854	/nfs/dbraw/zinc/28/58/54/646285854.db2.gz	LOTRSTLTXSRFQX-LBPRGKRZSA-N	0	1	249.314	0.075	20	30		BCEDMN
COCCO[C@@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000930115132	646440467	/nfs/dbraw/zinc/44/04/67/646440467.db2.gz	XMPZZXRPMDZRSI-VXGBXAGGSA-N	0	1	242.319	0.388	20	30		BCEDMN
CC[C@H](CO)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000930113216	646441032	/nfs/dbraw/zinc/44/10/32/646441032.db2.gz	BVKUKYYLDULGHW-OLZOCXBDSA-N	0	1	239.363	0.923	20	30		BCEDMN
C[C@@H]1[C@H](C)[N@H+](C[C@H](O)CC#N)CCN1C	ZINC000930178421	646480992	/nfs/dbraw/zinc/48/09/92/646480992.db2.gz	YQPFAPMMMTXWDR-OUAUKWLOSA-N	0	1	211.309	0.285	20	30		BCEDMN
OCC#CCNC[C@H](O)c1ccc(F)cc1	ZINC000717530704	711602511	/nfs/dbraw/zinc/60/25/11/711602511.db2.gz	ASQWWKSOGOXELM-LBPRGKRZSA-N	0	1	223.247	0.444	20	30		BCEDMN
C=CCN1CCCN(C(=O)COC)CC1	ZINC000072252693	711775284	/nfs/dbraw/zinc/77/52/84/711775284.db2.gz	KQWJQODGISXIIR-UHFFFAOYSA-N	0	1	212.293	0.353	20	30		BCEDMN
C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1	ZINC001076665145	711807907	/nfs/dbraw/zinc/80/79/07/711807907.db2.gz	BOEDYNDBDUFILD-VXGBXAGGSA-N	0	1	238.331	0.524	20	30		BCEDMN
Cc1ncccc1C(=O)NCC#CCN(C)C	ZINC000913518483	711823781	/nfs/dbraw/zinc/82/37/81/711823781.db2.gz	QYQKBKJSLALJPP-UHFFFAOYSA-N	0	1	231.299	0.685	20	30		BCEDMN
C=CCN1CC[C@H]1CNC(=O)[C@H]1CCCN1C	ZINC001038094904	711840666	/nfs/dbraw/zinc/84/06/66/711840666.db2.gz	IKOOGELUCGNYBW-NWDGAFQWSA-N	0	1	237.347	0.457	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395847	712192992	/nfs/dbraw/zinc/19/29/92/712192992.db2.gz	IRBUDTRVAPZJKR-SSDOTTSWSA-N	0	1	222.248	0.548	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708392177	712191695	/nfs/dbraw/zinc/19/16/95/712191695.db2.gz	LXZVULQYFYTBJY-LURJTMIESA-N	0	1	208.221	0.158	20	30		BCEDMN
C[C@H](CC#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708392178	712191706	/nfs/dbraw/zinc/19/17/06/712191706.db2.gz	LXZVULQYFYTBJY-ZCFIWIBFSA-N	0	1	208.221	0.158	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@]1(COC)CNCCO1	ZINC000710847849	712258463	/nfs/dbraw/zinc/25/84/63/712258463.db2.gz	AJUQLGWOKSSHRS-JQWIXIFHSA-N	0	1	242.319	0.072	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)C[C@H]1CCCN1C	ZINC000711065671	712278137	/nfs/dbraw/zinc/27/81/37/712278137.db2.gz	UKZCWWYVYRBFBQ-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
CC(=NN[C@@H](C)CO)c1ccc(N)nc1	ZINC000378853952	712366213	/nfs/dbraw/zinc/36/62/13/712366213.db2.gz	IIFLRALPZZQBSQ-ZETCQYMHSA-N	0	1	208.265	0.189	20	30		BCEDMN
CN1CC[C@@H]1CNc1ccncc1C#N	ZINC000712590721	712435131	/nfs/dbraw/zinc/43/51/31/712435131.db2.gz	FOPRWBCTKWVLGS-SNVBAGLBSA-N	0	1	202.261	0.491	20	30		BCEDMN
CN1CC[C@H]1CNc1ccnc(C#N)c1	ZINC000712568740	712447149	/nfs/dbraw/zinc/44/71/49/712447149.db2.gz	FHKVCLLHYFJASW-NSHDSACASA-N	0	1	202.261	0.491	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnn(C)c1	ZINC000716928391	712596501	/nfs/dbraw/zinc/59/65/01/712596501.db2.gz	IHDBEPNLVDMJTC-NSHDSACASA-N	0	1	207.277	0.548	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1cc(F)ccc1F	ZINC000717437721	712657891	/nfs/dbraw/zinc/65/78/91/712657891.db2.gz	KIWACYPLXSCRPX-GFCCVEGCSA-N	0	1	241.237	0.584	20	30		BCEDMN
OCC#CCNC[C@H](O)c1cc(F)ccc1F	ZINC000717437722	712658053	/nfs/dbraw/zinc/65/80/53/712658053.db2.gz	KIWACYPLXSCRPX-LBPRGKRZSA-N	0	1	241.237	0.584	20	30		BCEDMN
C#CC[C@@H](CO)NCc1snnc1C	ZINC000717828341	712681656	/nfs/dbraw/zinc/68/16/56/712681656.db2.gz	FWGIOOYBDKOXTC-QMMMGPOBSA-N	0	1	211.290	0.320	20	30		BCEDMN
C#CC(=O)N[C@@H]1CCCN2CCSC[C@H]12	ZINC000720459703	712844435	/nfs/dbraw/zinc/84/44/35/712844435.db2.gz	UMEQFPZYMFEYEH-NXEZZACHSA-N	0	1	224.329	0.316	20	30		BCEDMN
CC/C=C(/C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000381499620	710648269	/nfs/dbraw/zinc/64/82/69/710648269.db2.gz	CBXLDTLLKFSJKZ-YXCTTXFESA-N	0	1	207.277	0.570	20	30		BCEDMN
CCC(C)(C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000381554770	710654422	/nfs/dbraw/zinc/65/44/22/710654422.db2.gz	OFPBPLWOLKBJCW-IUCAKERBSA-N	0	1	209.293	0.650	20	30		BCEDMN
CCCSCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000381622211	710662805	/nfs/dbraw/zinc/66/28/05/710662805.db2.gz	CYDUWIXDWIQQAJ-RKDXNWHRSA-N	0	1	227.333	0.357	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cncn1C	ZINC001038475016	710689688	/nfs/dbraw/zinc/68/96/88/710689688.db2.gz	ALPOYELLCVTAAV-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cnn(C)n1	ZINC001038818301	710708427	/nfs/dbraw/zinc/70/84/27/710708427.db2.gz	RSYCZFPDXLHFHL-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
CC(C)[N@@H+]1CC(=NNCC(=O)[O-])[C@H](C)C1	ZINC000382084955	710774554	/nfs/dbraw/zinc/77/45/54/710774554.db2.gz	XDNNTPVAMPTLCV-MRVPVSSYSA-N	0	1	213.281	0.377	20	30		BCEDMN
CC(=[NH+][N-]c1ncn[nH]1)c1ccc(N)nc1	ZINC000382098488	710776155	/nfs/dbraw/zinc/77/61/55/710776155.db2.gz	FPECJSJOIQZNKF-UHFFFAOYSA-N	0	1	217.236	0.448	20	30		BCEDMN
C=CCCN1CC(N(C)C(=O)Cc2cnc[nH]2)C1	ZINC001043976471	710816641	/nfs/dbraw/zinc/81/66/41/710816641.db2.gz	OSALGCGMMMKJQH-UHFFFAOYSA-N	0	1	248.330	0.671	20	30		BCEDMN
C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC001044477589	710826652	/nfs/dbraw/zinc/82/66/52/710826652.db2.gz	DVNCYPYUOZMVSN-VHSXEESVSA-N	0	1	247.302	0.516	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1	ZINC001046124598	710849913	/nfs/dbraw/zinc/84/99/13/710849913.db2.gz	XLWKBWRGRPTYIZ-YPMHNXCESA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2ccnn2C)C1	ZINC001046182328	710854747	/nfs/dbraw/zinc/85/47/47/710854747.db2.gz	GCNZRGLJLZAQGT-CYBMUJFWSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001046549656	710862218	/nfs/dbraw/zinc/86/22/18/710862218.db2.gz	IZZBWDOBYVQRAM-GMXVVIOVSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCCN1CCN([C@@H]2CCN(C(C)=O)C2)CC1	ZINC001051963576	710959603	/nfs/dbraw/zinc/95/96/03/710959603.db2.gz	XMFGNAGOYCVBHR-CQSZACIVSA-N	0	1	249.358	0.248	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnco2)CC1	ZINC001052605830	710965466	/nfs/dbraw/zinc/96/54/66/710965466.db2.gz	OAVBOJKFVYRLSS-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCNC(=O)CN1CCSCC[C@@H]1C	ZINC000385159966	711006266	/nfs/dbraw/zinc/00/62/66/711006266.db2.gz	BBUBMJXSWMMKQG-JTQLQIEISA-N	0	1	226.345	0.563	20	30		BCEDMN
C#CCN1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2	ZINC001071107825	711166623	/nfs/dbraw/zinc/16/66/23/711166623.db2.gz	ONXRJDUFZYRAMF-YPMHNXCESA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn[n-]2)CC[C@@H]1C	ZINC001071634588	711198101	/nfs/dbraw/zinc/19/81/01/711198101.db2.gz	FZQMEVWROTYYIL-UWVGGRQHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCCCCC(=O)NCc1c[nH]nn1	ZINC000398339384	711408341	/nfs/dbraw/zinc/40/83/41/711408341.db2.gz	FTAWDMOYHRBRSH-UHFFFAOYSA-N	0	1	206.249	0.615	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ccsn2)C1	ZINC001014873823	710612593	/nfs/dbraw/zinc/61/25/93/710612593.db2.gz	FGELFLVDYOFQPK-JTQLQIEISA-N	0	1	249.339	0.971	20	30		BCEDMN
C#C[C@](C)(CC)NCCS(=O)(=O)CC	ZINC000384129530	710640963	/nfs/dbraw/zinc/64/09/63/710640963.db2.gz	ACNGWFMGGTUZDX-SNVBAGLBSA-N	0	1	217.334	0.813	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CCCC1	ZINC000381480118	710643725	/nfs/dbraw/zinc/64/37/25/710643725.db2.gz	CNQHOUREWJCDCB-ZJUUUORDSA-N	0	1	207.277	0.404	20	30		BCEDMN
CC#CCN1CC[C@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046158884	710852119	/nfs/dbraw/zinc/85/21/19/710852119.db2.gz	QLKCZKYFCCGEFW-ZDUSSCGKSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046166178	710852250	/nfs/dbraw/zinc/85/22/50/710852250.db2.gz	YARSKICHMJMMQQ-LBPRGKRZSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)C2=CCOCC2)C1	ZINC001046258862	710855762	/nfs/dbraw/zinc/85/57/62/710855762.db2.gz	ARSHEZIAXYSDKJ-AWEZNQCLSA-N	0	1	248.326	0.547	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C3CCC3)C2)C1	ZINC001072386409	711364085	/nfs/dbraw/zinc/36/40/85/711364085.db2.gz	GYRXBFSHOZXTEU-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1	ZINC001072440311	711373298	/nfs/dbraw/zinc/37/32/98/711373298.db2.gz	ZYOKXJKALDLQGP-LBPRGKRZSA-N	0	1	248.326	0.333	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1	ZINC000969242630	711453358	/nfs/dbraw/zinc/45/33/58/711453358.db2.gz	JHIVJUZNKMYIGQ-SNVBAGLBSA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1	ZINC000971502180	711521151	/nfs/dbraw/zinc/52/11/51/711521151.db2.gz	MPSXCSXCNRFTKE-JTQLQIEISA-N	0	1	232.287	0.189	20	30		BCEDMN
CC[C@H](O)CNN=C(C)c1ccc(N)nc1	ZINC000382385617	711573326	/nfs/dbraw/zinc/57/33/26/711573326.db2.gz	KQPSWNWGWQVCQK-JTQLQIEISA-N	0	1	222.292	0.579	20	30		BCEDMN
CC#CCN1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1	ZINC001075462597	711615486	/nfs/dbraw/zinc/61/54/86/711615486.db2.gz	AESITBVEQNVZPF-NWDGAFQWSA-N	0	1	236.315	0.189	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cc(C=O)n(C)c2)=NO1	ZINC000935135655	711631346	/nfs/dbraw/zinc/63/13/46/711631346.db2.gz	IFPPZOWJRRBPHC-ZETCQYMHSA-N	0	1	235.243	0.690	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001006881796	711656091	/nfs/dbraw/zinc/65/60/91/711656091.db2.gz	NQBORKCSDBOWMG-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)C(F)F)C1	ZINC001009813732	711731696	/nfs/dbraw/zinc/73/16/96/711731696.db2.gz	JHBMLOSZDGAIKS-QMMMGPOBSA-N	0	1	216.231	0.465	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1	ZINC001027897323	711743031	/nfs/dbraw/zinc/74/30/31/711743031.db2.gz	KXEJPBLYLAPIQV-GFCCVEGCSA-N	0	1	231.299	0.842	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1	ZINC001075590839	711747429	/nfs/dbraw/zinc/74/74/29/711747429.db2.gz	IIVUVOKBJNEJKA-SDDRHHMPSA-N	0	1	238.331	0.740	20	30		BCEDMN
CC(C)(O)[C@H]1CCN(CC(=O)NCCC#N)C1	ZINC000721836062	711779673	/nfs/dbraw/zinc/77/96/73/711779673.db2.gz	XPCYYJWPHHFCIT-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ccnn1C	ZINC001038103667	711781601	/nfs/dbraw/zinc/78/16/01/711781601.db2.gz	OCQMCIQMEVXMND-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CCN1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1	ZINC001076867862	711809820	/nfs/dbraw/zinc/80/98/20/711809820.db2.gz	MQAIQLUIFASOCT-VXGBXAGGSA-N	0	1	236.315	0.444	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)nn1	ZINC000913523159	711823158	/nfs/dbraw/zinc/82/31/58/711823158.db2.gz	NVCFKDPYPMRZOJ-UHFFFAOYSA-N	0	1	232.287	0.080	20	30		BCEDMN
COc1ccc(C(=O)NCC#CCN(C)C)cc1	ZINC000913514111	711823288	/nfs/dbraw/zinc/82/32/88/711823288.db2.gz	FIQVSIWOSVSAQD-UHFFFAOYSA-N	0	1	246.310	0.990	20	30		BCEDMN
COc1cccc(C(=O)NCC#CCN(C)C)c1	ZINC000913514364	711823578	/nfs/dbraw/zinc/82/35/78/711823578.db2.gz	NUBKTVQPWZPJJH-UHFFFAOYSA-N	0	1	246.310	0.990	20	30		BCEDMN
C=C1CC(C)(C(=O)N[C@@H]2CN(CC)C[C@H]2O)C1	ZINC001077645661	711913440	/nfs/dbraw/zinc/91/34/40/711913440.db2.gz	QXVLEMXAWKRKMC-GHMZBOCLSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C	ZINC001032555359	711925315	/nfs/dbraw/zinc/92/53/15/711925315.db2.gz	JPIHHMLURZSNIM-UWVGGRQHSA-N	0	1	247.302	0.198	20	30		BCEDMN
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnon1	ZINC001032691264	711932939	/nfs/dbraw/zinc/93/29/39/711932939.db2.gz	RTJFCGJYBQUIBM-UWVGGRQHSA-N	0	1	248.286	0.544	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1cnn(C)n1	ZINC000382424838	711940102	/nfs/dbraw/zinc/94/01/02/711940102.db2.gz	XVUFDIQELAEILC-SECBINFHSA-N	0	1	210.281	0.089	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ccn[nH]1	ZINC001038083591	711952686	/nfs/dbraw/zinc/95/26/86/711952686.db2.gz	QVOSBWZPIYPIRS-JTQLQIEISA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1	ZINC001032944499	711968914	/nfs/dbraw/zinc/96/89/14/711968914.db2.gz	YPUMARQZLOWBGO-RYUDHWBXSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCCN1CC[C@@H](N(C)C(=O)c2cocn2)C1	ZINC001032956859	711969608	/nfs/dbraw/zinc/96/96/08/711969608.db2.gz	KGAFIMCIUODSJS-LLVKDONJSA-N	0	1	247.298	0.844	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2n[nH]nc2C)C1	ZINC001033320044	711982240	/nfs/dbraw/zinc/98/22/40/711982240.db2.gz	YLHMLMNUPMTBPH-SNVBAGLBSA-N	0	1	249.318	0.445	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC23CC3)C1	ZINC001033450125	711992292	/nfs/dbraw/zinc/99/22/92/711992292.db2.gz	RDDGBMLNESBPHZ-RYUDHWBXSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCCN1CC[C@@H](N(C)C(=O)c2cnon2)C1	ZINC001033520237	711998909	/nfs/dbraw/zinc/99/89/09/711998909.db2.gz	CJRFEYGIJJPZCF-SNVBAGLBSA-N	0	1	248.286	0.239	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)c2cnc[nH]2)C1	ZINC000700608358	712001005	/nfs/dbraw/zinc/00/10/05/712001005.db2.gz	GDNYLIOLNQTWAN-VIFPVBQESA-N	0	1	203.245	0.895	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1	ZINC001033542788	712003801	/nfs/dbraw/zinc/00/38/01/712003801.db2.gz	GSJUJCLOMKOPKZ-LLVKDONJSA-N	0	1	246.314	0.118	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000702295164	712043293	/nfs/dbraw/zinc/04/32/93/712043293.db2.gz	GEVFPVBDBWQILT-QWRGUYRKSA-N	0	1	221.304	0.843	20	30		BCEDMN
CC#CCN1CC2(C1)CCN(C(C)=O)CC2	ZINC001035631380	712138040	/nfs/dbraw/zinc/13/80/40/712138040.db2.gz	FTBLZEZSADGBJU-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccn[nH]2)CC[C@H]1NCC#N	ZINC001035937595	712150626	/nfs/dbraw/zinc/15/06/26/712150626.db2.gz	ZBXBKZAPCYTWCB-NXEZZACHSA-N	0	1	247.302	0.373	20	30		BCEDMN
C[C@H](C#N)OCCN1CCNC(=O)CC1(C)C	ZINC000708100508	712181431	/nfs/dbraw/zinc/18/14/31/712181431.db2.gz	KVGHSRGCGNMUCV-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CC1(O)CCN(CCO[C@H]2CC2(F)F)CC1	ZINC000708101927	712182019	/nfs/dbraw/zinc/18/20/19/712182019.db2.gz	HLUBVNICPFVJJK-JTQLQIEISA-N	0	1	245.269	0.871	20	30		BCEDMN
CC#CCCNC(=O)C1=NC(=O)N(C)C1	ZINC000708325103	712187335	/nfs/dbraw/zinc/18/73/35/712187335.db2.gz	CDNXZQJWPWNMBF-UHFFFAOYSA-N	0	1	207.233	0.269	20	30		BCEDMN
CN1CC(C(=O)NC(C)(C)C#N)=NC1=O	ZINC000708392089	712191899	/nfs/dbraw/zinc/19/18/99/712191899.db2.gz	GLDLZWUZHDYBCS-UHFFFAOYSA-N	0	1	208.221	0.158	20	30		BCEDMN
C#CCCS(=O)(=O)N(CCN(C)C)C(C)C	ZINC000711016815	712275211	/nfs/dbraw/zinc/27/52/11/712275211.db2.gz	UKWXVMHUNJRFCF-UHFFFAOYSA-N	0	1	246.376	0.612	20	30		BCEDMN
C#CCCS(=O)(=O)NCCN1CCCCC1	ZINC000711064504	712278153	/nfs/dbraw/zinc/27/81/53/712278153.db2.gz	AROVRDDBPMHJHY-UHFFFAOYSA-N	0	1	244.360	0.415	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1cc(N(C)C)ccn1	ZINC000923217508	712305900	/nfs/dbraw/zinc/30/59/00/712305900.db2.gz	DTJKOYBFFOGXEA-JTQLQIEISA-N	0	1	246.314	0.969	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1	ZINC001079487633	712349013	/nfs/dbraw/zinc/34/90/13/712349013.db2.gz	KCNVVSJKLAUNJX-NXEZZACHSA-N	0	1	235.287	0.911	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1	ZINC001079659868	712349890	/nfs/dbraw/zinc/34/98/90/712349890.db2.gz	OWXLEQZRWHUEIQ-NXEZZACHSA-N	0	1	249.318	0.051	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cncnc2)C1	ZINC001079607433	712349915	/nfs/dbraw/zinc/34/99/15/712349915.db2.gz	UCDYMNOMVZVPCS-ZYHUDNBSSA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CC3)C1	ZINC001080505910	712353924	/nfs/dbraw/zinc/35/39/24/712353924.db2.gz	JOJZXBSSAFVSCD-IJLUTSLNSA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1	ZINC001080648278	712353986	/nfs/dbraw/zinc/35/39/86/712353986.db2.gz	DNWWFUASFMGWHY-MWLCHTKSSA-N	0	1	248.286	0.143	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1	ZINC001080499522	712353995	/nfs/dbraw/zinc/35/39/95/712353995.db2.gz	BQYVYANRUOMKBW-ZYHUDNBSSA-N	0	1	246.314	0.713	20	30		BCEDMN
CON=CC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000774375524	712415369	/nfs/dbraw/zinc/41/53/69/712415369.db2.gz	JUNATIOYMQPTII-UHFFFAOYSA-N	0	1	246.230	0.437	20	30		BCEDMN
CSCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000390819123	712427655	/nfs/dbraw/zinc/42/76/55/712427655.db2.gz	SIZPYVPHPQBPQW-DTWKUNHWSA-N	0	1	227.333	0.357	20	30		BCEDMN
CCN1CC[C@@H]1CNc1cncc(C#N)n1	ZINC000712582927	712434172	/nfs/dbraw/zinc/43/41/72/712434172.db2.gz	RWCHFALUWDSIJE-SNVBAGLBSA-N	0	1	217.276	0.854	20	30		BCEDMN
CN1CC[C@H]1CNc1ccc(C#N)nn1	ZINC000712590572	712435124	/nfs/dbraw/zinc/43/51/24/712435124.db2.gz	CPVGNBNLLGZOGN-VIFPVBQESA-N	0	1	203.249	0.464	20	30		BCEDMN
C=CCC[C@@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000715946270	712545023	/nfs/dbraw/zinc/54/50/23/712545023.db2.gz	RKLPQMGLWIJEAV-ZJUUUORDSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CC[C@H](COC)NCc1ccnn1C	ZINC000716928755	712596721	/nfs/dbraw/zinc/59/67/21/712596721.db2.gz	NHECTOHOXGGLDN-SNVBAGLBSA-N	0	1	207.277	0.548	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cc[nH]c(=O)c1	ZINC000717596918	712661178	/nfs/dbraw/zinc/66/11/78/712661178.db2.gz	ZXEAXALAIFWDQV-UHFFFAOYSA-N	0	1	233.271	0.082	20	30		BCEDMN
CN(C)CC#CCNC(=O)N1CCCC1	ZINC000717593421	712661348	/nfs/dbraw/zinc/66/13/48/712661348.db2.gz	AQUIAPHPAJIOBA-UHFFFAOYSA-N	0	1	209.293	0.357	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)cc1O	ZINC000717680377	712664412	/nfs/dbraw/zinc/66/44/12/712664412.db2.gz	XAWLLWYAOYZIRD-UHFFFAOYSA-N	0	1	246.310	0.995	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1CCC(=O)CC1	ZINC000717689033	712665007	/nfs/dbraw/zinc/66/50/07/712665007.db2.gz	CPSUARWXDLQPIF-UHFFFAOYSA-N	0	1	236.315	0.427	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(C)nn1C	ZINC000717727717	712667656	/nfs/dbraw/zinc/66/76/56/712667656.db2.gz	JMCPGVCFCUNTRS-JTQLQIEISA-N	0	1	207.277	0.202	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cn2ccccc2n1	ZINC000717733979	712668001	/nfs/dbraw/zinc/66/80/01/712668001.db2.gz	SNFILUFNMXTIPH-NSHDSACASA-N	0	1	229.283	0.808	20	30		BCEDMN
N#C[C@H]1CCCN(C[C@@H]2CNC(=O)C2)C1	ZINC000932154974	712716138	/nfs/dbraw/zinc/71/61/38/712716138.db2.gz	UGOINCMNVVMPHD-ZJUUUORDSA-N	0	1	207.277	0.358	20	30		BCEDMN
CN(C)CC#CCNC(=O)COC(C)(C)C	ZINC000717958157	712735466	/nfs/dbraw/zinc/73/54/66/712735466.db2.gz	IWWDRCBYLNLZRZ-UHFFFAOYSA-N	0	1	226.320	0.483	20	30		BCEDMN
C#CC(=O)N[C@@H]1CCCN2CCSC[C@@H]12	ZINC000720459715	712844741	/nfs/dbraw/zinc/84/47/41/712844741.db2.gz	UMEQFPZYMFEYEH-ZJUUUORDSA-N	0	1	224.329	0.316	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1cncc(C#N)n1	ZINC000591460054	719168763	/nfs/dbraw/zinc/16/87/63/719168763.db2.gz	DJEUFRSEWAFRFZ-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCN1CCN(c2ncc3c(n2)CNC3)CC1	ZINC001165031533	721866909	/nfs/dbraw/zinc/86/69/09/721866909.db2.gz	NEOMDNOTLZBELB-UHFFFAOYSA-N	0	1	245.330	0.388	20	30		BCEDMN
C=C(C)COCCNC(=O)CN(C)C	ZINC000119642659	136212303	/nfs/dbraw/zinc/21/23/03/136212303.db2.gz	KIMIDPJRAYPEKG-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
C[C@H](C(=O)N1CCSC[C@H]1C#N)N(C)C	ZINC000602133178	349459410	/nfs/dbraw/zinc/45/94/10/349459410.db2.gz	PDBCOELBMVGCBP-RKDXNWHRSA-N	0	1	227.333	0.404	20	30		BCEDMN
C[C@H](C(=O)N1CCSC[C@@H]1C#N)N(C)C	ZINC000602133177	349459912	/nfs/dbraw/zinc/45/99/12/349459912.db2.gz	PDBCOELBMVGCBP-BDAKNGLRSA-N	0	1	227.333	0.404	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)[C@@H](C)CCO	ZINC000649864888	398146193	/nfs/dbraw/zinc/14/61/93/398146193.db2.gz	LNXXPDJNPHUNCH-LBPRGKRZSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCC(C)(C)C(=O)NCCN1CC[C@H](O)C1	ZINC000629917115	361774487	/nfs/dbraw/zinc/77/44/87/361774487.db2.gz	LWNXWMQTBVPYGP-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C1CC(C)(C(=O)NCc2nn[nH]n2)C1	ZINC000631234488	361787228	/nfs/dbraw/zinc/78/72/28/361787228.db2.gz	ZYHIKBKWGVJOQT-UHFFFAOYSA-N	0	1	207.237	0.172	20	30		BCEDMN
C[C@]1(O)CCN(Cc2cccc(C#N)n2)C1	ZINC000602486858	349569286	/nfs/dbraw/zinc/56/92/86/349569286.db2.gz	WHTTXSZQROXJFN-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CCO[C@@H](C#N)C1	ZINC000259869808	349589584	/nfs/dbraw/zinc/58/95/84/349589584.db2.gz	JGMQLAHRVWTDHK-WDEREUQCSA-N	0	1	237.303	0.222	20	30		BCEDMN
CCc1nnc(Cn2ccnc2C#N)[nH]1	ZINC000131230957	342757199	/nfs/dbraw/zinc/75/71/99/342757199.db2.gz	CPBGBYZZPSLRGG-UHFFFAOYSA-N	0	1	202.221	0.484	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCCN1CCC(O)CC1	ZINC000321170826	342751524	/nfs/dbraw/zinc/75/15/24/342751524.db2.gz	JDLBYCBEQJPRJI-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
CCNC(=O)CNCc1ccc(C#N)c(OC)c1	ZINC000233478272	342865541	/nfs/dbraw/zinc/86/55/41/342865541.db2.gz	UIDUBEJLYVSHNU-UHFFFAOYSA-N	0	1	247.298	0.793	20	30		BCEDMN
C=CCCOCCNC(=O)CCc1c[nH]nn1	ZINC000632129828	342872486	/nfs/dbraw/zinc/87/24/86/342872486.db2.gz	QDKGRBJLHDQVMN-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C=CCCOCCNC(=O)CCc1cnn[nH]1	ZINC000632129828	342872488	/nfs/dbraw/zinc/87/24/88/342872488.db2.gz	QDKGRBJLHDQVMN-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@H]1CCCN1C1CC1	ZINC000562342816	323017197	/nfs/dbraw/zinc/01/71/97/323017197.db2.gz	TUQJZQPFHFSVCY-GXSJLCMTSA-N	0	1	221.304	0.889	20	30		BCEDMN
CCN(CCOCCO)Cc1cccc(C#N)n1	ZINC000602651459	349659420	/nfs/dbraw/zinc/65/94/20/349659420.db2.gz	HXHVNIJOCNSTMP-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
COCC1(O)CN(C[C@H](C)CCC#N)C1	ZINC000602689187	349679519	/nfs/dbraw/zinc/67/95/19/349679519.db2.gz	SWHAQESOOLGLMK-SNVBAGLBSA-N	0	1	212.293	0.619	20	30		BCEDMN
CCOC[C@@H](O)CN[C@H](CC)CC#N	ZINC000308687914	346898735	/nfs/dbraw/zinc/89/87/35/346898735.db2.gz	QJLSMHRWTVOPKH-ZJUUUORDSA-N	0	1	200.282	0.666	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@@H](O)C1	ZINC000351813724	136254740	/nfs/dbraw/zinc/25/47/40/136254740.db2.gz	RPTKXLIOBMQSES-MXWKQRLJSA-N	0	1	239.319	0.060	20	30		BCEDMN
N#CC1(CN[C@@H]2CCCNC(=O)C2)CCC1	ZINC000602699906	349696259	/nfs/dbraw/zinc/69/62/59/349696259.db2.gz	TYIUPSFEDNSTEB-SNVBAGLBSA-N	0	1	221.304	0.939	20	30		BCEDMN
N#CCC1(CN2CC[C@@H](NC(N)=O)C2)CC1	ZINC000602795864	349737810	/nfs/dbraw/zinc/73/78/10/349737810.db2.gz	BEDIGGFLRVRZAT-SECBINFHSA-N	0	1	222.292	0.423	20	30		BCEDMN
Cn1nccc1[C@H](CO)NCC1(CC#N)CC1	ZINC000602838219	349777451	/nfs/dbraw/zinc/77/74/51/349777451.db2.gz	BULOFQOKHFHKTF-JTQLQIEISA-N	0	1	234.303	0.737	20	30		BCEDMN
CN(C)C(=O)C1(NCC2(CC#N)CC2)CC1	ZINC000602839882	349778272	/nfs/dbraw/zinc/77/82/72/349778272.db2.gz	KMTAIAQKURYEIA-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
COCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856284	349788723	/nfs/dbraw/zinc/78/87/23/349788723.db2.gz	YMHZRKVADWLPGN-QWRGUYRKSA-N	0	1	211.309	0.551	20	30		BCEDMN
COCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856283	349788825	/nfs/dbraw/zinc/78/88/25/349788825.db2.gz	YMHZRKVADWLPGN-PHIMTYICSA-N	0	1	211.309	0.551	20	30		BCEDMN
Cc1nc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)n[nH]1	ZINC000602849205	349784832	/nfs/dbraw/zinc/78/48/32/349784832.db2.gz	JVBIRIXHIFOWGI-AOOOYVTPSA-N	0	1	248.334	0.531	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1	ZINC000380103414	343096355	/nfs/dbraw/zinc/09/63/55/343096355.db2.gz	XWPUHCGAKPWGPE-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](O)C(C)(C)C1	ZINC000380103414	343096358	/nfs/dbraw/zinc/09/63/58/343096358.db2.gz	XWPUHCGAKPWGPE-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000377328310	136269820	/nfs/dbraw/zinc/26/98/20/136269820.db2.gz	ATUMZEXERZWFGE-MRVPVSSYSA-N	0	1	218.260	0.199	20	30		BCEDMN
C#CC[C@H](NCC(N)=O)c1ccccc1	ZINC000271703428	187237291	/nfs/dbraw/zinc/23/72/91/187237291.db2.gz	NALNELPRQZRLEI-NSHDSACASA-N	0	1	202.257	0.826	20	30		BCEDMN
C#CCOc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	ZINC000278407129	187239657	/nfs/dbraw/zinc/23/96/57/187239657.db2.gz	PEWACEBFBQZPSO-KBPBESRZSA-N	0	1	247.294	0.236	20	30		BCEDMN
Cc1cc(C#N)cnc1C(=O)NCc1c[nH]nn1	ZINC000590290474	346930917	/nfs/dbraw/zinc/93/09/17/346930917.db2.gz	WDEIGGJYBIXZBB-UHFFFAOYSA-N	0	1	242.242	0.310	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)CN(C)C)C1CC1	ZINC000339014283	136280256	/nfs/dbraw/zinc/28/02/56/136280256.db2.gz	PIEVZVNLKKNWAW-SECBINFHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C=CCOCCNC(=O)N1CCNC(C)(C)C1	ZINC000669555273	488215976	/nfs/dbraw/zinc/21/59/76/488215976.db2.gz	NBPUWTIKSCCIRM-UHFFFAOYSA-N	0	1	241.335	0.582	20	30		BCEDMN
N#CCCCCN1CCO[C@@H](Cn2ccnn2)C1	ZINC000602910369	349807721	/nfs/dbraw/zinc/80/77/21/349807721.db2.gz	XMDPQFPJLRQXMP-GFCCVEGCSA-N	0	1	249.318	0.673	20	30		BCEDMN
OCCCN(CC#Cc1ccccc1)CCO	ZINC000276862411	187339562	/nfs/dbraw/zinc/33/95/62/187339562.db2.gz	XEHKBPYYZCHFIE-UHFFFAOYSA-N	0	1	233.311	0.715	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@@H]2CCCN2C2CC2)C1	ZINC000335712652	136337721	/nfs/dbraw/zinc/33/77/21/136337721.db2.gz	GGBRVWWEDOKJRU-NSHDSACASA-N	0	1	233.315	0.985	20	30		BCEDMN
COCCN1CC[C@H](NC(=O)C2(C)COC2)C1	ZINC000329312090	136364842	/nfs/dbraw/zinc/36/48/42/136364842.db2.gz	CVMZZMBXDDMRBL-JTQLQIEISA-N	0	1	242.319	0.700	20	30		BCEDMN
C=CCN1CC[C@@H](n2cc(CNCC)nn2)C1=O	ZINC000641108901	362227081	/nfs/dbraw/zinc/22/70/81/362227081.db2.gz	NRQORHFQOUKSSX-LLVKDONJSA-N	0	1	249.318	0.347	20	30		BCEDMN
N#Cc1nccc(NCCN2CCC(O)CC2)n1	ZINC000321761380	343532647	/nfs/dbraw/zinc/53/26/47/343532647.db2.gz	NYASHYPBYZCJHQ-UHFFFAOYSA-N	0	1	247.302	0.217	20	30		BCEDMN
C=CCOCC[N@@H+]1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000634695308	343623141	/nfs/dbraw/zinc/62/31/41/343623141.db2.gz	SDWXPRVRCRKOMM-ZYHUDNBSSA-N	0	1	243.303	0.753	20	30		BCEDMN
C=C[C@H](C(=O)OC)N(C)Cc1cn[nH]c1C	ZINC000602943136	349825657	/nfs/dbraw/zinc/82/56/57/349825657.db2.gz	PCGZQPQUNYFJMT-SNVBAGLBSA-N	0	1	223.276	0.878	20	30		BCEDMN
CC(C)(C#N)CCN1CCC[C@H]1C(N)=O	ZINC000087595126	343653895	/nfs/dbraw/zinc/65/38/95/343653895.db2.gz	RNCIDZHWBPKPRC-VIFPVBQESA-N	0	1	209.293	0.876	20	30		BCEDMN
Cc1ncc([C@H](C)NCC(=O)NCC#N)s1	ZINC000602957359	349829740	/nfs/dbraw/zinc/82/97/40/349829740.db2.gz	SDYXOAQLVJNZRY-ZETCQYMHSA-N	0	1	238.316	0.742	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H](O)CC1	ZINC000339785038	343703106	/nfs/dbraw/zinc/70/31/06/343703106.db2.gz	YNTCAPKAEAQLHL-JTQLQIEISA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H](O)CC1	ZINC000339785038	343703109	/nfs/dbraw/zinc/70/31/09/343703109.db2.gz	YNTCAPKAEAQLHL-JTQLQIEISA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](O)CC1	ZINC000339785039	343703257	/nfs/dbraw/zinc/70/32/57/343703257.db2.gz	YNTCAPKAEAQLHL-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](O)CC1	ZINC000339785039	343703259	/nfs/dbraw/zinc/70/32/59/343703259.db2.gz	YNTCAPKAEAQLHL-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
CC[C@@H](CN1CCN(CCC#N)CC1)OC	ZINC000603016632	349856975	/nfs/dbraw/zinc/85/69/75/349856975.db2.gz	IOUWWFRNVQOJSX-LBPRGKRZSA-N	0	1	225.336	0.943	20	30		BCEDMN
Cc1nc([C@H](C)N2CCN(CCC#N)CC2)n[nH]1	ZINC000603016516	349857446	/nfs/dbraw/zinc/85/74/46/349857446.db2.gz	HHNUIZKHJLGQGZ-JTQLQIEISA-N	0	1	248.334	0.705	20	30		BCEDMN
CC[C@H](CC#N)NS(=O)(=O)c1ncc[nH]1	ZINC000309159821	346973360	/nfs/dbraw/zinc/97/33/60/346973360.db2.gz	YMYWKIPEIWZECO-SSDOTTSWSA-N	0	1	228.277	0.380	20	30		BCEDMN
CN(CCO)Cc1cnc2ccc(C#N)cn12	ZINC000305740014	529920638	/nfs/dbraw/zinc/92/06/38/529920638.db2.gz	YAOFCZSWGAQYKK-UHFFFAOYSA-N	0	1	230.271	0.630	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc(CNC2CC2)nn1	ZINC000603234545	349892529	/nfs/dbraw/zinc/89/25/29/349892529.db2.gz	MCPJLWLXCYUJJL-JTQLQIEISA-N	0	1	236.275	0.430	20	30		BCEDMN
C[C@@H](CC#N)NCCC(=O)N1CCOCC1	ZINC000157063723	343906393	/nfs/dbraw/zinc/90/63/93/343906393.db2.gz	LZRDDCSKYZQFLW-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CCC[C@H](O)Cn1cc([C@H](C)NC)nn1	ZINC000641212739	362275271	/nfs/dbraw/zinc/27/52/71/362275271.db2.gz	PVLKLISGAKCYEW-UWVGGRQHSA-N	0	1	224.308	0.886	20	30		BCEDMN
C=CCC[C@@H](O)Cn1cc(CNCC)nn1	ZINC000641212906	362275325	/nfs/dbraw/zinc/27/53/25/362275325.db2.gz	UECQHSZEDXUNDC-LLVKDONJSA-N	0	1	224.308	0.715	20	30		BCEDMN
N#Cc1ccnc(C(=O)NCc2c[nH]nn2)c1	ZINC000588630453	344163797	/nfs/dbraw/zinc/16/37/97/344163797.db2.gz	VAXLDENSHARMKV-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)C(C)(C)C#N	ZINC000588849359	344195435	/nfs/dbraw/zinc/19/54/35/344195435.db2.gz	XPDJGXKKQSGSMS-UHFFFAOYSA-N	0	1	224.220	0.283	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)C1(C#N)CCC1	ZINC000588849193	344195564	/nfs/dbraw/zinc/19/55/64/344195564.db2.gz	OWZQSDRRXOLGDV-UHFFFAOYSA-N	0	1	236.231	0.427	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1cc(C)on1	ZINC000294034345	344310367	/nfs/dbraw/zinc/31/03/67/344310367.db2.gz	RVSMWHIPPAGTJC-UHFFFAOYSA-N	0	1	235.287	0.668	20	30		BCEDMN
C[C@H](NC(=O)c1cc(C#N)cn1C)c1nnc[nH]1	ZINC000176208515	344377764	/nfs/dbraw/zinc/37/77/64/344377764.db2.gz	WNZQCWITJRVDDD-ZETCQYMHSA-N	0	1	244.258	0.506	20	30		BCEDMN
C[C@H](NC(=O)c1ccc(C#N)cn1)c1nnc[nH]1	ZINC000176213165	344382905	/nfs/dbraw/zinc/38/29/05/344382905.db2.gz	ZIDKTLGKZPTYBP-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
C=CCCOCC(=O)NCc1cn[nH]c1C	ZINC000622882105	344444881	/nfs/dbraw/zinc/44/48/81/344444881.db2.gz	WKAYFCBIDFFZFR-UHFFFAOYSA-N	0	1	223.276	0.927	20	30		BCEDMN
CC(C)(C#N)CCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000574039514	344637282	/nfs/dbraw/zinc/63/72/82/344637282.db2.gz	MBAPTQSUTUKFDV-UHFFFAOYSA-N	0	1	246.270	0.738	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)NCCCC	ZINC000076185612	344799271	/nfs/dbraw/zinc/79/92/71/344799271.db2.gz	QXADUZZLHZFIMC-UHFFFAOYSA-N	0	1	220.316	0.861	20	30		BCEDMN
C=CCNC(=O)CN1CCC(O)(CC)CC1	ZINC000075858582	344785584	/nfs/dbraw/zinc/78/55/84/344785584.db2.gz	YCXFRPKPQPLAAY-UHFFFAOYSA-N	0	1	226.320	0.526	20	30		BCEDMN
COCC#CCN1CCN([C@@H]2CCOC2)CC1	ZINC000678631208	488274597	/nfs/dbraw/zinc/27/45/97/488274597.db2.gz	ZQCVEPQGQSRNLC-CYBMUJFWSA-N	0	1	238.331	0.043	20	30		BCEDMN
C#CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000153282979	344844820	/nfs/dbraw/zinc/84/48/20/344844820.db2.gz	PIDZSOXILKTNSB-NEPJUHHUSA-N	0	1	235.331	0.745	20	30		BCEDMN
COCC#CCN1CCN([C@H]2CCOC2)CC1	ZINC000678631209	488274731	/nfs/dbraw/zinc/27/47/31/488274731.db2.gz	ZQCVEPQGQSRNLC-ZDUSSCGKSA-N	0	1	238.331	0.043	20	30		BCEDMN
CC#CCN1CCC(N2CCNC2=O)CC1	ZINC000159416865	187298178	/nfs/dbraw/zinc/29/81/78/187298178.db2.gz	FBHAVYBFJOEQIK-UHFFFAOYSA-N	0	1	221.304	0.499	20	30		BCEDMN
N#CCC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000408322892	345155501	/nfs/dbraw/zinc/15/55/01/345155501.db2.gz	WKRSZCRWIVIKSX-MRVPVSSYSA-N	0	1	204.233	0.817	20	30		BCEDMN
COCC[N@@H+]1CC[C@H](NCC2(C#N)CC2)C1	ZINC000381330120	345347189	/nfs/dbraw/zinc/34/71/89/345347189.db2.gz	STBICPWFJFCHFS-NSHDSACASA-N	0	1	223.320	0.600	20	30		BCEDMN
CC#CCN1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000159132468	345411347	/nfs/dbraw/zinc/41/13/47/345411347.db2.gz	JQUUJMDCPUOECE-UHFFFAOYSA-N	0	1	237.347	0.106	20	30		BCEDMN
CC#CCN1CCCN(CC(=O)N(C)C)CC1	ZINC000159132468	345411354	/nfs/dbraw/zinc/41/13/54/345411354.db2.gz	JQUUJMDCPUOECE-UHFFFAOYSA-N	0	1	237.347	0.106	20	30		BCEDMN
CCc1nc(CN(CCC#N)CCC#N)n[nH]1	ZINC000159579863	345440248	/nfs/dbraw/zinc/44/02/48/345440248.db2.gz	MVOMVWSYVPUVBJ-UHFFFAOYSA-N	0	1	232.291	0.996	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CCc1c[nH]nn1	ZINC000601000375	345983052	/nfs/dbraw/zinc/98/30/52/345983052.db2.gz	SSUOEFUKDJBNHC-SECBINFHSA-N	0	1	235.291	0.745	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CCc1cnn[nH]1	ZINC000601000375	345983054	/nfs/dbraw/zinc/98/30/54/345983054.db2.gz	SSUOEFUKDJBNHC-SECBINFHSA-N	0	1	235.291	0.745	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601031396	346002338	/nfs/dbraw/zinc/00/23/38/346002338.db2.gz	MFIQNZAMNQZDKC-MRVPVSSYSA-N	0	1	221.264	0.402	20	30		BCEDMN
C=CCN(C)C(=O)C(C)(C)CN1CCOCC1	ZINC000635818626	346079043	/nfs/dbraw/zinc/07/90/43/346079043.db2.gz	HTONWADCRZHOEF-UHFFFAOYSA-N	0	1	240.347	0.989	20	30		BCEDMN
C=CCCCNC(=O)CCCc1nn[nH]n1	ZINC000635872367	346093460	/nfs/dbraw/zinc/09/34/60/346093460.db2.gz	OJLLSFJTVUSZTQ-UHFFFAOYSA-N	0	1	223.280	0.605	20	30		BCEDMN
CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635969455	346127505	/nfs/dbraw/zinc/12/75/05/346127505.db2.gz	FPAWSZUWRUVQRM-NXEZZACHSA-N	0	1	217.272	0.995	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@@H](C)N(C)C	ZINC000636005094	346147607	/nfs/dbraw/zinc/14/76/07/346147607.db2.gz	BOUHOWATNIIQQS-ZJUUUORDSA-N	0	1	214.309	0.380	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)c1cccc(C#N)c1	ZINC000054369855	346186152	/nfs/dbraw/zinc/18/61/52/346186152.db2.gz	UPJNORNEUJADHF-SNVBAGLBSA-N	0	1	229.283	0.992	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601134295	346219952	/nfs/dbraw/zinc/21/99/52/346219952.db2.gz	FFDFGHWEDRXDOF-VIFPVBQESA-N	0	1	221.264	0.402	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601134295	346219954	/nfs/dbraw/zinc/21/99/54/346219954.db2.gz	FFDFGHWEDRXDOF-VIFPVBQESA-N	0	1	221.264	0.402	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000636112212	346323349	/nfs/dbraw/zinc/32/33/49/346323349.db2.gz	PSBHJZZFCZBNPP-GMTAPVOTSA-N	0	1	247.298	0.404	20	30		BCEDMN
C=CCOCCCNC(=O)[C@@H](C)N(C)C	ZINC000636200678	346350678	/nfs/dbraw/zinc/35/06/78/346350678.db2.gz	RBTGAAOCYJTRGH-SNVBAGLBSA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCN1CCC[C@@H](CS(=O)(=O)NC)C1	ZINC000626169204	346610275	/nfs/dbraw/zinc/61/02/75/346610275.db2.gz	HXUHVQOXEWWZAK-SNVBAGLBSA-N	0	1	232.349	0.434	20	30		BCEDMN
N#CCN(C(=O)CCc1nn[nH]n1)C1CCCC1	ZINC000601206213	346666419	/nfs/dbraw/zinc/66/64/19/346666419.db2.gz	QNBOMJWENYMRKU-UHFFFAOYSA-N	0	1	248.290	0.427	20	30		BCEDMN
N#Cc1cncc(N2CC[N@H+]3CC[C@H]2C3)n1	ZINC000401343495	346625504	/nfs/dbraw/zinc/62/55/04/346625504.db2.gz	TYWOYLPIEUVHEK-JTQLQIEISA-N	0	1	215.260	0.243	20	30		BCEDMN
CN(C)C1CN(C(=O)c2cccc(C#N)n2)C1	ZINC000589469822	346703757	/nfs/dbraw/zinc/70/37/57/346703757.db2.gz	ZXPWPJHYKPWBOC-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
N#Cc1cccc(C(=O)NCc2c[nH]nn2)n1	ZINC000589439572	346700715	/nfs/dbraw/zinc/70/07/15/346700715.db2.gz	FZJBKCVAWDIXAH-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
C[N@@H+](CCOCCC#N)C[C@@H](O)C1CC1	ZINC000590161198	346784307	/nfs/dbraw/zinc/78/43/07/346784307.db2.gz	HSWIJKVEESTKNS-LLVKDONJSA-N	0	1	212.293	0.619	20	30		BCEDMN
Cc1[nH]ncc1CNc1ccc(C#N)nn1	ZINC000309616100	347122113	/nfs/dbraw/zinc/12/21/13/347122113.db2.gz	BUIPTNUISHJLBH-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601285928	347154636	/nfs/dbraw/zinc/15/46/36/347154636.db2.gz	YPHZLFXYIAJKJW-ZETCQYMHSA-N	0	1	221.264	0.402	20	30		BCEDMN
C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000111277265	347160132	/nfs/dbraw/zinc/16/01/32/347160132.db2.gz	AWEJBPXKNRIVDD-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000111277265	347160135	/nfs/dbraw/zinc/16/01/35/347160135.db2.gz	AWEJBPXKNRIVDD-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000363912127	347175149	/nfs/dbraw/zinc/17/51/49/347175149.db2.gz	WRCAFWHSFWTXFC-SECBINFHSA-N	0	1	236.275	0.498	20	30		BCEDMN
C[C@H](O)C[N@@H+](CCO)Cc1ccnc(C#N)c1	ZINC000310136301	347238676	/nfs/dbraw/zinc/23/86/76/347238676.db2.gz	ZKWMSUNCXPMKTR-JTQLQIEISA-N	0	1	235.287	0.128	20	30		BCEDMN
C[C@H](O)CN(CCO)Cc1ccnc(C#N)c1	ZINC000310136301	347238680	/nfs/dbraw/zinc/23/86/80/347238680.db2.gz	ZKWMSUNCXPMKTR-JTQLQIEISA-N	0	1	235.287	0.128	20	30		BCEDMN
C#CCN(C)C(=O)c1cc(C2CC2)[nH]n1	ZINC000191134919	347342426	/nfs/dbraw/zinc/34/24/26/347342426.db2.gz	PACSWAQFZWBTBS-UHFFFAOYSA-N	0	1	203.245	0.992	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000601431781	347353124	/nfs/dbraw/zinc/35/31/24/347353124.db2.gz	DPGZQJAZLDMOSZ-LLVKDONJSA-N	0	1	233.275	0.499	20	30		BCEDMN
C#CCN1C[C@H](OC)C[C@@H]1CC(=O)OCC	ZINC000364327063	347374704	/nfs/dbraw/zinc/37/47/04/347374704.db2.gz	XKRQNYCIEVLUGS-GHMZBOCLSA-N	0	1	225.288	0.662	20	30		BCEDMN
C[N@@H+](CC(=O)N1CC(C#N)C1)[C@@H]1CCSC1	ZINC000590486023	347375944	/nfs/dbraw/zinc/37/59/44/347375944.db2.gz	ARBBQCWYSHXSSP-SNVBAGLBSA-N	0	1	239.344	0.406	20	30		BCEDMN
CN(CC(=O)N1CC(C#N)C1)[C@@H]1CCSC1	ZINC000590486023	347375948	/nfs/dbraw/zinc/37/59/48/347375948.db2.gz	ARBBQCWYSHXSSP-SNVBAGLBSA-N	0	1	239.344	0.406	20	30		BCEDMN
C=CCCN1CCN(C(=O)COC)CC1	ZINC000132555577	133662562	/nfs/dbraw/zinc/66/25/62/133662562.db2.gz	JTDBUELZPRZKEZ-UHFFFAOYSA-N	0	1	212.293	0.353	20	30		BCEDMN
CCN([C@H](C)C#N)S(=O)(=O)c1ncc[nH]1	ZINC000601469159	347392105	/nfs/dbraw/zinc/39/21/05/347392105.db2.gz	ZWKWCZGBDDORQK-SSDOTTSWSA-N	0	1	228.277	0.332	20	30		BCEDMN
COCCN1CCCN(C(=O)CC#N)CC1	ZINC000364380969	347397752	/nfs/dbraw/zinc/39/77/52/347397752.db2.gz	GKXFGDWLWROVMI-UHFFFAOYSA-N	0	1	225.292	0.081	20	30		BCEDMN
N#CC1CN(C(=O)c2ccc3cncn3c2)C1	ZINC000590491155	347399069	/nfs/dbraw/zinc/39/90/69/347399069.db2.gz	TZTDYDAWWJIOSM-UHFFFAOYSA-N	0	1	226.239	0.930	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N(C)Cc1cnc[nH]1	ZINC000616921878	347450927	/nfs/dbraw/zinc/45/09/27/347450927.db2.gz	GYRMADHXKSWWLS-SNVBAGLBSA-N	0	1	209.249	0.305	20	30		BCEDMN
C=C[C@H](O)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000616224077	347419689	/nfs/dbraw/zinc/41/96/89/347419689.db2.gz	QSRKQVAINBFIMX-ZETCQYMHSA-N	0	1	238.291	0.265	20	30		BCEDMN
N#CC1(CN2CCC[C@]3(CNC(=O)C3)C2)CC1	ZINC000334320568	347577951	/nfs/dbraw/zinc/57/79/51/347577951.db2.gz	HEXFGTCGWAXSSE-ZDUSSCGKSA-N	0	1	233.315	0.892	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1cncc(C#N)n1	ZINC000577273350	365912234	/nfs/dbraw/zinc/91/22/34/365912234.db2.gz	XRNKVARLTXWWKI-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
CC(C)(C#N)CNC[C@H](O)Cn1cccn1	ZINC000591758950	347691793	/nfs/dbraw/zinc/69/17/93/347691793.db2.gz	CAFOIFFRRTVBTG-JTQLQIEISA-N	0	1	222.292	0.383	20	30		BCEDMN
CN(CCC#N)C[C@@H](O)CNCC(C)(C)C#N	ZINC000591759330	347692024	/nfs/dbraw/zinc/69/20/24/347692024.db2.gz	HVQRCORRLDZCEO-NSHDSACASA-N	0	1	238.335	0.332	20	30		BCEDMN
CCOCC[C@@H](O)CNC[C@@H](C)C#N	ZINC000591735055	347693815	/nfs/dbraw/zinc/69/38/15/347693815.db2.gz	YHJUYJGUMGHOON-VHSXEESVSA-N	0	1	200.282	0.523	20	30		BCEDMN
CC(C)c1nc(CN2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000592153015	347743653	/nfs/dbraw/zinc/74/36/53/347743653.db2.gz	HQDIIOFNFRPYHN-GFCCVEGCSA-N	0	1	249.318	0.779	20	30		BCEDMN
CO[C@@H]1COC[C@H]1NCc1ccnc(C#N)c1	ZINC000592154733	347744550	/nfs/dbraw/zinc/74/45/50/347744550.db2.gz	UEXADBMWEOHARJ-VXGBXAGGSA-N	0	1	233.271	0.457	20	30		BCEDMN
CCN(CCSC)CC(=O)NCC#N	ZINC000592205603	347757031	/nfs/dbraw/zinc/75/70/31/347757031.db2.gz	XBBXOOMFTKPVGZ-UHFFFAOYSA-N	0	1	215.322	0.311	20	30		BCEDMN
CCN(CC(=O)NCC#N)[C@@H]1CCCOC1	ZINC000593068669	347850003	/nfs/dbraw/zinc/85/00/03/347850003.db2.gz	MYUBVDMWGPMEHF-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
CCN(CC(=O)NCC#N)[C@H]1CCCOC1	ZINC000593068177	347850421	/nfs/dbraw/zinc/85/04/21/347850421.db2.gz	MYUBVDMWGPMEHF-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C[C@H](CCO)N(C)CC(=O)NC1(C#N)CCC1	ZINC000593108039	347859924	/nfs/dbraw/zinc/85/99/24/347859924.db2.gz	KWHFVUYJWZQHSZ-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)CCCC#N	ZINC000344923161	133711157	/nfs/dbraw/zinc/71/11/57/133711157.db2.gz	UGOJVWSEOOWIPC-VIFPVBQESA-N	0	1	233.337	0.160	20	30		BCEDMN
N#Cc1ccc(N2CC(N3CC[C@@H](O)C3)C2)nc1	ZINC000593502900	347907081	/nfs/dbraw/zinc/90/70/81/347907081.db2.gz	DUXRYGRUBRWDAC-GFCCVEGCSA-N	0	1	244.298	0.208	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000593540585	347909535	/nfs/dbraw/zinc/90/95/35/347909535.db2.gz	CKFADOIZPPIGEQ-DTWKUNHWSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@H](C#N)C(=O)NC1(c2nnc[nH]2)CCC1	ZINC000593648578	347926046	/nfs/dbraw/zinc/92/60/46/347926046.db2.gz	NTUPYWOWRQOJDR-MRVPVSSYSA-N	0	1	233.275	0.850	20	30		BCEDMN
CNC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000594013966	347989047	/nfs/dbraw/zinc/98/90/47/347989047.db2.gz	BJRKBJYOBCXQBG-LLVKDONJSA-N	0	1	244.298	0.521	20	30		BCEDMN
CCOC(=O)[C@@H]1CCCN1C(=O)C(C)C#N	ZINC000044827284	348024071	/nfs/dbraw/zinc/02/40/71/348024071.db2.gz	NCQPZPFWBOTPDZ-IUCAKERBSA-N	0	1	224.260	0.700	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NCC2(C#N)CC2)C1	ZINC000594353944	348039058	/nfs/dbraw/zinc/03/90/58/348039058.db2.gz	NIUPPZTYXANBBL-JTQLQIEISA-N	0	1	221.304	0.748	20	30		BCEDMN
CC(C)OC[C@H](O)CN1CC(CC#N)C1	ZINC000594715932	348105575	/nfs/dbraw/zinc/10/55/75/348105575.db2.gz	DQZOWXCJPBUMME-LLVKDONJSA-N	0	1	212.293	0.618	20	30		BCEDMN
COC[C@H](C)OC[C@@H](O)CN1CC(CC#N)C1	ZINC000594715990	348105797	/nfs/dbraw/zinc/10/57/97/348105797.db2.gz	FRLPEYRUMFJIHM-JQWIXIFHSA-N	0	1	242.319	0.244	20	30		BCEDMN
C[C@@H](C#N)CNS(=O)(=O)c1ccccc1O	ZINC000594756034	348111561	/nfs/dbraw/zinc/11/15/61/348111561.db2.gz	AAIXQWUBHRTBKM-QMMMGPOBSA-N	0	1	240.284	0.830	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C[C@H]2CNC(=O)C2)C1	ZINC000595423657	348246146	/nfs/dbraw/zinc/24/61/46/348246146.db2.gz	GCWUALNKWKYHBA-PWSUYJOCSA-N	0	1	221.304	0.748	20	30		BCEDMN
C=CCCS(=O)(=O)NC1CCN(C)CC1	ZINC000360177521	166291247	/nfs/dbraw/zinc/29/12/47/166291247.db2.gz	MQAWKBDTWXQFMU-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
CN(CCc1ccc(C#N)cc1)[C@@H]1CCNC1=O	ZINC000595396136	348237553	/nfs/dbraw/zinc/23/75/53/348237553.db2.gz	OSYQJRXYFBKDSW-CYBMUJFWSA-N	0	1	243.310	0.921	20	30		BCEDMN
CN(CCc1ccc(C#N)cc1)[C@H]1CCNC1=O	ZINC000595396138	348237615	/nfs/dbraw/zinc/23/76/15/348237615.db2.gz	OSYQJRXYFBKDSW-ZDUSSCGKSA-N	0	1	243.310	0.921	20	30		BCEDMN
C[N@H+](CCOCCC#N)Cc1n[n-]c(=O)o1	ZINC000595546595	348268038	/nfs/dbraw/zinc/26/80/38/348268038.db2.gz	PGKPKMDPRGHLRP-UHFFFAOYSA-N	0	1	226.236	0.137	20	30		BCEDMN
C[N@@H+](CCOCCC#N)Cc1n[n-]c(=O)o1	ZINC000595546595	348268040	/nfs/dbraw/zinc/26/80/40/348268040.db2.gz	PGKPKMDPRGHLRP-UHFFFAOYSA-N	0	1	226.236	0.137	20	30		BCEDMN
CCc1nc([C@@H](C)N2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000595560498	348281074	/nfs/dbraw/zinc/28/10/74/348281074.db2.gz	YTIPAMRSXYQWDI-BXKDBHETSA-N	0	1	249.318	0.779	20	30		BCEDMN
CN(CCc1c[nH]nn1)CC(C)(C)C#N	ZINC000595503230	348263712	/nfs/dbraw/zinc/26/37/12/348263712.db2.gz	YVEPDCYHKAYHMD-UHFFFAOYSA-N	0	1	207.281	0.829	20	30		BCEDMN
C[C@@H]1CCCN(CC(=O)NCC#N)[C@H]1CCO	ZINC000595706057	348308595	/nfs/dbraw/zinc/30/85/95/348308595.db2.gz	XDSXFWOGCZDTEK-MNOVXSKESA-N	0	1	239.319	0.109	20	30		BCEDMN
Cc1nc(CN([C@H](C)C#N)C2CC2)n[nH]1	ZINC000595710254	348322141	/nfs/dbraw/zinc/32/21/41/348322141.db2.gz	OQULVQZJDDYHLX-SSDOTTSWSA-N	0	1	205.265	0.990	20	30		BCEDMN
CN1CCN([C@@H]2CC[C@H](C#N)C2)CCC1=O	ZINC000595772829	348337458	/nfs/dbraw/zinc/33/74/58/348337458.db2.gz	ODTCMJAYCMAZAX-WDEREUQCSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN(C)C(=O)CCN1CC[C@@](C)(C#N)C1	ZINC000595838697	348372674	/nfs/dbraw/zinc/37/26/74/348372674.db2.gz	DEMGBVTWNFFOHP-NSHDSACASA-N	0	1	209.293	0.700	20	30		BCEDMN
CCNC(=O)CCN1CC[C@@](C)(C#N)C1	ZINC000595839771	348373280	/nfs/dbraw/zinc/37/32/80/348373280.db2.gz	KXWPNOTXABHFQL-NSHDSACASA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@@]1(C#N)CCN(CC2(O)CCOCC2)C1	ZINC000595840493	348374196	/nfs/dbraw/zinc/37/41/96/348374196.db2.gz	OPARGYKGPWLPJE-NSHDSACASA-N	0	1	224.304	0.763	20	30		BCEDMN
C[C@@]1(C#N)CCN(C[C@]2(O)CCCOC2)C1	ZINC000595842126	348377329	/nfs/dbraw/zinc/37/73/29/348377329.db2.gz	PREDTKOAGIFYJP-NWDGAFQWSA-N	0	1	224.304	0.763	20	30		BCEDMN
C[C@@]1(C#N)CCN(CC[C@@H]2CCNC2=O)C1	ZINC000595842217	348378254	/nfs/dbraw/zinc/37/82/54/348378254.db2.gz	QASIPDFVANSCOQ-JQWIXIFHSA-N	0	1	221.304	0.748	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@](C)(C#N)C(C)C	ZINC000595864358	348384396	/nfs/dbraw/zinc/38/43/96/348384396.db2.gz	ZQMLAMMAUODXGD-ZYHUDNBSSA-N	0	1	239.319	0.177	20	30		BCEDMN
CN(C)C(=O)N(C)[C@@H]1CCN(CCCC#N)C1	ZINC000595822998	348364224	/nfs/dbraw/zinc/36/42/24/348364224.db2.gz	BYPNZLFHLVAUFA-LLVKDONJSA-N	0	1	238.335	0.978	20	30		BCEDMN
CCc1nc(C#N)cc(N(C)Cc2nnc[nH]2)n1	ZINC000596133725	348447164	/nfs/dbraw/zinc/44/71/64/348447164.db2.gz	KQAGMGGWHRHPIA-UHFFFAOYSA-N	0	1	243.274	0.665	20	30		BCEDMN
CCN1CCN(c2cc(C#N)cnn2)[C@H](C)C1	ZINC000596231313	348472096	/nfs/dbraw/zinc/47/20/96/348472096.db2.gz	PWMDNNNBGYJPOU-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1cc(C#N)c[nH]1	ZINC000596463966	348543695	/nfs/dbraw/zinc/54/36/95/348543695.db2.gz	BHCQGKKPPZWWPH-UHFFFAOYSA-N	0	1	232.287	0.520	20	30		BCEDMN
CN(CC1CN(C)C1)c1cc(C#N)cnn1	ZINC000596452088	348552049	/nfs/dbraw/zinc/55/20/49/348552049.db2.gz	BTYJBDVIOZPEIV-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
COCc1nc(CNc2ccnc(C#N)c2)n[nH]1	ZINC000596435524	348546186	/nfs/dbraw/zinc/54/61/86/348546186.db2.gz	GSUPOQKDKXKOIW-UHFFFAOYSA-N	0	1	244.258	0.252	20	30		BCEDMN
CC[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000597040793	348648845	/nfs/dbraw/zinc/64/88/45/348648845.db2.gz	ZRBNIEQHQRPADO-RKDXNWHRSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597041971	348649128	/nfs/dbraw/zinc/64/91/28/348649128.db2.gz	RXUDAMNZWUWUKE-SNVBAGLBSA-N	0	1	221.264	0.464	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000597412265	348730750	/nfs/dbraw/zinc/73/07/50/348730750.db2.gz	JNWAUKLUPWITGJ-IUCAKERBSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597189524	348686015	/nfs/dbraw/zinc/68/60/15/348686015.db2.gz	WNXDUYMERGMWMY-WPRPVWTQSA-N	0	1	247.302	0.889	20	30		BCEDMN
N#C[C@H](CO)NC(=O)Cc1[nH]nc2ccccc21	ZINC000597744939	348809807	/nfs/dbraw/zinc/80/98/07/348809807.db2.gz	ZSKTVSMVZRXHNV-MRVPVSSYSA-N	0	1	244.254	0.106	20	30		BCEDMN
Cc1nc(CC(=O)N[C@@H]2CC[C@H](C#N)C2)n[nH]1	ZINC000597793500	348818604	/nfs/dbraw/zinc/81/86/04/348818604.db2.gz	ORRMDPGXKOWOKH-DTWKUNHWSA-N	0	1	233.275	0.464	20	30		BCEDMN
N#CCC1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C1	ZINC000598022287	348861779	/nfs/dbraw/zinc/86/17/79/348861779.db2.gz	CPHPEYLSVKTLMQ-GFCCVEGCSA-N	0	1	233.315	0.985	20	30		BCEDMN
C[C@H](C#N)N(C(=O)Cc1ccn[nH]1)C1CC1	ZINC000598128419	348894277	/nfs/dbraw/zinc/89/42/77/348894277.db2.gz	KVCMEOKHIVOLPQ-MRVPVSSYSA-N	0	1	218.260	0.855	20	30		BCEDMN
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000598414079	348968017	/nfs/dbraw/zinc/96/80/17/348968017.db2.gz	YDBONVZNABJEHU-JQWIXIFHSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000598414079	348968020	/nfs/dbraw/zinc/96/80/20/348968020.db2.gz	YDBONVZNABJEHU-JQWIXIFHSA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)c2cnc[nH]2)C1	ZINC000598413097	348968255	/nfs/dbraw/zinc/96/82/55/348968255.db2.gz	QXZYCRFKNPWZOV-SNVBAGLBSA-N	0	1	204.233	0.785	20	30		BCEDMN
COC(=O)c1nc[nH]c1NC(=O)[C@@H](C)CC#N	ZINC000598843339	349053774	/nfs/dbraw/zinc/05/37/74/349053774.db2.gz	BXBDFYQYZHZDTN-LURJTMIESA-N	0	1	236.231	0.685	20	30		BCEDMN
COC(=O)c1nc[nH]c1NC(=O)[C@H](C)CC#N	ZINC000598843357	349053990	/nfs/dbraw/zinc/05/39/90/349053990.db2.gz	BXBDFYQYZHZDTN-ZCFIWIBFSA-N	0	1	236.231	0.685	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1C[C@@H](F)C[C@@H]1CO	ZINC000598608593	349007147	/nfs/dbraw/zinc/00/71/47/349007147.db2.gz	UVUSPXXNSIAOIQ-AXFHLTTASA-N	0	1	244.310	0.692	20	30		BCEDMN
N#Cc1csc(CNC[C@H]2C[C@@H](O)C2)n1	ZINC000599006806	349074511	/nfs/dbraw/zinc/07/45/11/349074511.db2.gz	JHIFDZWKNKXMNU-OTSSQURYSA-N	0	1	223.301	0.875	20	30		BCEDMN
C=CCNC(=O)CN[C@@](C)(CO)c1ccccc1	ZINC000599171232	349110849	/nfs/dbraw/zinc/11/08/49/349110849.db2.gz	CYEUPPUOYVBZJP-AWEZNQCLSA-N	0	1	248.326	0.786	20	30		BCEDMN
Cc1ccnc(NCCN2CC[C@@H](O)C2)c1C#N	ZINC000599175447	349113104	/nfs/dbraw/zinc/11/31/04/349113104.db2.gz	BKVIPMIMWWOWOK-LLVKDONJSA-N	0	1	246.314	0.740	20	30		BCEDMN
C=CC[C@H](CO)NCc1nccn1CC	ZINC000309053895	323221178	/nfs/dbraw/zinc/22/11/78/323221178.db2.gz	SNSSLPGVXOKFBY-SNVBAGLBSA-N	0	1	209.293	0.930	20	30		BCEDMN
CC1(C)CCCN(C(=O)Cc2ncn[nH]2)[C@@H]1C#N	ZINC000601535037	349295778	/nfs/dbraw/zinc/29/57/78/349295778.db2.gz	VTNQOKPWCJQTCE-SECBINFHSA-N	0	1	247.302	0.888	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)CCc2c[nH]nn2)C1	ZINC000601520368	349297253	/nfs/dbraw/zinc/29/72/53/349297253.db2.gz	HYFOLBJBXRSFNF-JTQLQIEISA-N	0	1	237.238	0.201	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)CCc2cnn[nH]2)C1	ZINC000601520368	349297254	/nfs/dbraw/zinc/29/72/54/349297254.db2.gz	HYFOLBJBXRSFNF-JTQLQIEISA-N	0	1	237.238	0.201	20	30		BCEDMN
CC#CC[N@H+]1C[C@H](CO)[C@H](c2cnn(C)c2)C1	ZINC000354835549	349330268	/nfs/dbraw/zinc/33/02/68/349330268.db2.gz	VYPIHSHRKNEWFV-OLZOCXBDSA-N	0	1	233.315	0.451	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000601786541	349344230	/nfs/dbraw/zinc/34/42/30/349344230.db2.gz	RKLDZUHFHLGJLR-RKDXNWHRSA-N	0	1	224.260	0.770	20	30		BCEDMN
CCN(C(=O)CCc1c[nH]nn1)[C@@H](C)C#N	ZINC000601672400	349319552	/nfs/dbraw/zinc/31/95/52/349319552.db2.gz	XNZUBSHKAOFQLJ-QMMMGPOBSA-N	0	1	221.264	0.498	20	30		BCEDMN
CCN(C(=O)CCc1cnn[nH]1)[C@@H](C)C#N	ZINC000601672400	349319555	/nfs/dbraw/zinc/31/95/55/349319555.db2.gz	XNZUBSHKAOFQLJ-QMMMGPOBSA-N	0	1	221.264	0.498	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000601665418	349321490	/nfs/dbraw/zinc/32/14/90/349321490.db2.gz	DRUAPINRTUTPDC-QMMMGPOBSA-N	0	1	233.275	0.640	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000601665418	349321492	/nfs/dbraw/zinc/32/14/92/349321492.db2.gz	DRUAPINRTUTPDC-QMMMGPOBSA-N	0	1	233.275	0.640	20	30		BCEDMN
COC(=O)Cc1c[nH]n([C@@H](C)CC#N)c1=O	ZINC000601936085	349390376	/nfs/dbraw/zinc/39/03/76/349390376.db2.gz	PAKHPWKDWVKSOQ-YUMQZZPRSA-N	0	1	223.232	0.296	20	30		BCEDMN
N#CCCn1[nH]c2c(c1=O)CSCC2	ZINC000601931549	349384637	/nfs/dbraw/zinc/38/46/37/349384637.db2.gz	LXZSAFSGQMCGFH-SSDOTTSWSA-N	0	1	209.274	0.851	20	30		BCEDMN
Cc1nc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000353253451	180034540	/nfs/dbraw/zinc/03/45/40/180034540.db2.gz	ASUNPFQBDYYYDG-ZCFIWIBFSA-N	0	1	244.258	0.804	20	30		BCEDMN
CC[C@@H](OC)C(=O)NC1(C#N)CCN(C)CC1	ZINC000604484383	350138416	/nfs/dbraw/zinc/13/84/16/350138416.db2.gz	LUGJSJYILZDSFD-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
COc1ccc(C#N)cc1NS(C)(=O)=O	ZINC000604511677	350143054	/nfs/dbraw/zinc/14/30/54/350143054.db2.gz	YERTUMSYAPHYAW-UHFFFAOYSA-N	0	1	226.257	0.938	20	30		BCEDMN
C=CCOCCCNC(=O)c1ncn[nH]1	ZINC000618526420	350152683	/nfs/dbraw/zinc/15/26/83/350152683.db2.gz	QMPVCBJVEDOWGE-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C=CCOCCCNC(=O)c1nc[nH]n1	ZINC000618526420	350152689	/nfs/dbraw/zinc/15/26/89/350152689.db2.gz	QMPVCBJVEDOWGE-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C=CCCCNC(=O)NCCN1CC[C@@H](O)C1	ZINC000637102172	350198812	/nfs/dbraw/zinc/19/88/12/350198812.db2.gz	MUHDYOZHBFHFQR-LLVKDONJSA-N	0	1	241.335	0.318	20	30		BCEDMN
C=C(CC)CNC(=O)NCCN1CC[C@H](O)C1	ZINC000637205684	350272521	/nfs/dbraw/zinc/27/25/21/350272521.db2.gz	KXQQMZZGLFVEGS-NSHDSACASA-N	0	1	241.335	0.318	20	30		BCEDMN
CC#CCCN(C)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000336654028	350420627	/nfs/dbraw/zinc/42/06/27/350420627.db2.gz	JWODBFMPUUGZNG-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C=CCN(CCOC)CCN1CCNC1=O	ZINC000336662449	350423636	/nfs/dbraw/zinc/42/36/36/350423636.db2.gz	OJICQNMMAREYPE-UHFFFAOYSA-N	0	1	227.308	0.146	20	30		BCEDMN
N#CCCCN1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000336671468	350430469	/nfs/dbraw/zinc/43/04/69/350430469.db2.gz	JTNNCZJHZZRLNX-SNVBAGLBSA-N	0	1	245.348	0.291	20	30		BCEDMN
CCN(C[C@H](C)C#N)C[C@H](O)Cn1cccn1	ZINC000336702777	350458394	/nfs/dbraw/zinc/45/83/94/350458394.db2.gz	AJKJPJQGQFEONK-NEPJUHHUSA-N	0	1	236.319	0.726	20	30		BCEDMN
N#Cc1cccc(NC(=O)C[C@@H]2COCCN2)c1	ZINC000128836646	350569328	/nfs/dbraw/zinc/56/93/28/350569328.db2.gz	HYXLUFHNEUVDAD-GFCCVEGCSA-N	0	1	245.282	0.875	20	30		BCEDMN
C=C[C@H](CO)NCc1cccc(C(N)=O)c1	ZINC000289775921	490669503	/nfs/dbraw/zinc/66/95/03/490669503.db2.gz	JCRNNXFZTWVJLH-LLVKDONJSA-N	0	1	220.272	0.422	20	30		BCEDMN
C=C1CCN(C[C@H](O)CC(=O)OCC)CC1	ZINC000382478784	350844872	/nfs/dbraw/zinc/84/48/72/350844872.db2.gz	LWIAYUABBNWGLJ-LLVKDONJSA-N	0	1	227.304	0.953	20	30		BCEDMN
CC[C@@H](C(N)=O)N1CCC[C@H](CC#N)C1	ZINC000397659511	350959016	/nfs/dbraw/zinc/95/90/16/350959016.db2.gz	FANXLZCLQZFUET-ZJUUUORDSA-N	0	1	209.293	0.876	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1CCC(O)CC1	ZINC000052660142	351037639	/nfs/dbraw/zinc/03/76/39/351037639.db2.gz	AMUKRBJYUWURDE-JTQLQIEISA-N	0	1	239.319	0.204	20	30		BCEDMN
C=CC1CCN(CC(=O)NC(=O)NC)CC1	ZINC000111257891	191130183	/nfs/dbraw/zinc/13/01/83/191130183.db2.gz	LTGQPZZYRMYEDZ-UHFFFAOYSA-N	0	1	225.292	0.340	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000611030442	358461637	/nfs/dbraw/zinc/46/16/37/358461637.db2.gz	VISFPQVKTRFXTK-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)NCCN1CCCCC1	ZINC000088477221	351805071	/nfs/dbraw/zinc/80/50/71/351805071.db2.gz	AQVSITOSAJFXMY-JTQLQIEISA-N	0	1	245.348	0.304	20	30		BCEDMN
Cc1nnc(NC(=O)CC(C)(C)C#N)[nH]1	ZINC000279370940	351810381	/nfs/dbraw/zinc/81/03/81/351810381.db2.gz	GXGYBTUYAZJCGJ-UHFFFAOYSA-N	0	1	207.237	0.992	20	30		BCEDMN
CCCN(CCCC#N)[C@H]1CC(=O)N(C)C1=O	ZINC000282583781	351937271	/nfs/dbraw/zinc/93/72/71/351937271.db2.gz	WFWYPAUOCKRYHJ-JTQLQIEISA-N	0	1	237.303	0.759	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@]1(C)CNCCO1	ZINC000638009796	351888308	/nfs/dbraw/zinc/88/83/08/351888308.db2.gz	OEFBNFFALJKJRW-GXSJLCMTSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=CCN(C)CC[N@@H+](CC)[C@H]1CCNC1=O	ZINC000340204980	352040295	/nfs/dbraw/zinc/04/02/95/352040295.db2.gz	XQJCXVBDWRHPMA-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
CNC(=O)[C@@H]1CN(C[C@H](C)CCC#N)CCO1	ZINC000618887719	352163138	/nfs/dbraw/zinc/16/31/38/352163138.db2.gz	JIIOGAMSKAFGTF-MNOVXSKESA-N	0	1	239.319	0.373	20	30		BCEDMN
CO/N=C/C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000289788951	352198006	/nfs/dbraw/zinc/19/80/06/352198006.db2.gz	LRVQOZLEKYIXOK-OPYOOOJUSA-N	0	1	222.248	0.536	20	30		BCEDMN
CCc1nc([C@H](C)NC(=O)/C=N/OC)n[nH]1	ZINC000289447184	352186665	/nfs/dbraw/zinc/18/66/65/352186665.db2.gz	MTCMEHZPCIERQA-UEEORIODSA-N	0	1	225.252	0.177	20	30		BCEDMN
C[C@@H](Nc1ncncc1C#N)c1nnc[nH]1	ZINC000304461347	363153924	/nfs/dbraw/zinc/15/39/24/363153924.db2.gz	CGUFJZOWYZACNK-ZCFIWIBFSA-N	0	1	215.220	0.639	20	30		BCEDMN
C=CCOCC(=O)N1CCNC[C@H]1C(C)C	ZINC000638488832	352297120	/nfs/dbraw/zinc/29/71/20/352297120.db2.gz	WTYXWINAITVUFF-NSHDSACASA-N	0	1	226.320	0.645	20	30		BCEDMN
C=CC[N@H+](C)CCN(CC)CC(=O)NCC	ZINC000411639918	191197557	/nfs/dbraw/zinc/19/75/57/191197557.db2.gz	JVDMLJQSNOTWMI-UHFFFAOYSA-N	0	1	227.352	0.562	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NC[C@H]1COCCN1	ZINC000638621354	352460762	/nfs/dbraw/zinc/46/07/62/352460762.db2.gz	WGZUALXKBNCNGA-QWRGUYRKSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCC[C@@H](O)CN[C@@H](C)c1nncn1C	ZINC000336744261	352697180	/nfs/dbraw/zinc/69/71/80/352697180.db2.gz	PZRBURLMHYPCJC-VHSXEESVSA-N	0	1	224.308	0.793	20	30		BCEDMN
CC#CCCN1CCN2C(=O)CC[C@H]2C1	ZINC000334188382	352778120	/nfs/dbraw/zinc/77/81/20/352778120.db2.gz	JRDPLACYUZUBRL-NSHDSACASA-N	0	1	206.289	0.706	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@H]([C@H](C)O)C1	ZINC000412071638	191250721	/nfs/dbraw/zinc/25/07/21/191250721.db2.gz	GNEUJXPHADTLJZ-SRVKXCTJSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=CCOCCCN1CCO[C@H]([C@@H](C)O)C1	ZINC000412088129	191255725	/nfs/dbraw/zinc/25/57/25/191255725.db2.gz	OMTOKFWZRPAUAA-NEPJUHHUSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CC[C@H](CO)CNCc1ncnn1C	ZINC000638828470	353008360	/nfs/dbraw/zinc/00/83/60/353008360.db2.gz	CPIYZPNQNATKKT-VIFPVBQESA-N	0	1	210.281	0.089	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H]1CCC[C@H]1O	ZINC000270208727	166365749	/nfs/dbraw/zinc/36/57/49/166365749.db2.gz	XZKYLOOGGCTNCV-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
N#Cc1csc(CN2C[C@@H](O)C[C@H]2CO)c1	ZINC000187667087	188001593	/nfs/dbraw/zinc/00/15/93/188001593.db2.gz	UUECFIOLZUDSMN-UWVGGRQHSA-N	0	1	238.312	0.547	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)C1(C#N)CCC1)C2	ZINC000398645060	353123184	/nfs/dbraw/zinc/12/31/84/353123184.db2.gz	BWOXTWWXUKNCQC-UHFFFAOYSA-N	0	1	233.315	0.844	20	30		BCEDMN
C#CCNC(=O)[C@H]1NCCc2ccccc21	ZINC000049843583	188046088	/nfs/dbraw/zinc/04/60/88/188046088.db2.gz	TWPCHPZIARACJW-LBPRGKRZSA-N	0	1	214.268	0.623	20	30		BCEDMN
N#CCCCCN1CCn2c(n[nH]c2=O)C1	ZINC000330879962	353190788	/nfs/dbraw/zinc/19/07/88/353190788.db2.gz	MLXIRUFQSBVGLP-UHFFFAOYSA-N	0	1	221.264	0.493	20	30		BCEDMN
CN(C)c1ccncc1C(=O)N[C@@H]1CNC(=O)C1	ZINC000330851984	353193835	/nfs/dbraw/zinc/19/38/35/353193835.db2.gz	FNZKAOOJKLDVDD-QMMMGPOBSA-N	0	1	248.286	0.341	20	30		BCEDMN
C[C@@H](C#N)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000330956894	353204024	/nfs/dbraw/zinc/20/40/24/353204024.db2.gz	NERFKSLADLWOSH-ZETCQYMHSA-N	0	1	206.249	0.716	20	30		BCEDMN
CNC(=O)N[C@H]1CCN(CCCC(=O)OC)C1	ZINC000330962105	353204678	/nfs/dbraw/zinc/20/46/78/353204678.db2.gz	YNTGBXPXZPKKMF-VIFPVBQESA-N	0	1	243.307	0.147	20	30		BCEDMN
C[C@H]1CN(CCCNC(=O)CC#N)C[C@H](C)O1	ZINC000330915554	353205830	/nfs/dbraw/zinc/20/58/30/353205830.db2.gz	ZBXGQLLTVUACDY-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
N#CCCNC(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000331160558	353223532	/nfs/dbraw/zinc/22/35/32/353223532.db2.gz	RBVTXZQXIFOKGB-SECBINFHSA-N	0	1	233.275	0.684	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCCC[C@H]1C	ZINC000016484625	166376057	/nfs/dbraw/zinc/37/60/57/166376057.db2.gz	YEPGVJSLXGEAPJ-SNVBAGLBSA-N	0	1	239.319	0.873	20	30		BCEDMN
C#CCNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C	ZINC000073500772	353289070	/nfs/dbraw/zinc/28/90/70/353289070.db2.gz	AQMWXGJNJZZBCQ-WDEREUQCSA-N	0	1	221.304	0.498	20	30		BCEDMN
C#CCCN1CCN(CCn2cccn2)CC1	ZINC000162483009	353322012	/nfs/dbraw/zinc/32/20/12/353322012.db2.gz	LZLRHFZECCZZBJ-UHFFFAOYSA-N	0	1	232.331	0.524	20	30		BCEDMN
C#CCSCCNC(=O)[C@H]1CCCN1C	ZINC000130086526	353338431	/nfs/dbraw/zinc/33/84/31/353338431.db2.gz	YEQNHHNQAATWDB-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C=CCCN(CCOC)[C@H](C)C(N)=O	ZINC000132995490	353396507	/nfs/dbraw/zinc/39/65/07/353396507.db2.gz	GEHBYWXBIFAYMX-SECBINFHSA-N	0	1	200.282	0.385	20	30		BCEDMN
C=CCCN(CCOC)[C@@H](C)C(N)=O	ZINC000132995286	353396802	/nfs/dbraw/zinc/39/68/02/353396802.db2.gz	GEHBYWXBIFAYMX-VIFPVBQESA-N	0	1	200.282	0.385	20	30		BCEDMN
C#CC(C)(C)NC(=O)CCc1cnc[nH]1	ZINC000280006881	353420674	/nfs/dbraw/zinc/42/06/74/353420674.db2.gz	DPUWMQWMQDZJJS-UHFFFAOYSA-N	0	1	205.261	0.870	20	30		BCEDMN
C#CCC[N@H+](C)[C@H]1CCN(CC=C)C1=O	ZINC000281435019	353447244	/nfs/dbraw/zinc/44/72/44/353447244.db2.gz	SUUKDIXFXZQQOZ-NSHDSACASA-N	0	1	206.289	0.728	20	30		BCEDMN
C#CCCN(C)[C@H]1CCN(CC=C)C1=O	ZINC000281435019	353447248	/nfs/dbraw/zinc/44/72/48/353447248.db2.gz	SUUKDIXFXZQQOZ-NSHDSACASA-N	0	1	206.289	0.728	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CC[C@@H](C)O)C1=O	ZINC000281136296	353430540	/nfs/dbraw/zinc/43/05/40/353430540.db2.gz	AEFNQPCNQQJHGA-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C#CCN(C)C(=O)CCCCc1cn[nH]n1	ZINC000191126582	353431152	/nfs/dbraw/zinc/43/11/52/353431152.db2.gz	JIBHEOVUDXNPFT-UHFFFAOYSA-N	0	1	220.276	0.609	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1=O	ZINC000280985348	353432806	/nfs/dbraw/zinc/43/28/06/353432806.db2.gz	ABBQMLLBXZQZNT-SNVBAGLBSA-N	0	1	248.286	0.269	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN(C)C	ZINC000281171445	353436544	/nfs/dbraw/zinc/43/65/44/353436544.db2.gz	BFNUESMSTPGXEC-PWSUYJOCSA-N	0	1	226.320	0.645	20	30		BCEDMN
N#Cc1ccc(S(=O)(=O)NCC(F)F)o1	ZINC000287716050	188388741	/nfs/dbraw/zinc/38/87/41/188388741.db2.gz	GGFGOPDVBHNPCW-UHFFFAOYSA-N	0	1	236.199	0.695	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCn2cccn2)C1=O	ZINC000282086935	353462811	/nfs/dbraw/zinc/46/28/11/353462811.db2.gz	UZOXPEWIRALJGH-GFCCVEGCSA-N	0	1	248.330	0.602	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H](CO)C(C)(C)C	ZINC000134388930	353494294	/nfs/dbraw/zinc/49/42/94/353494294.db2.gz	JXHOGTMCTNKEFG-SNVBAGLBSA-N	0	1	228.336	0.627	20	30		BCEDMN
C=CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1	ZINC000282442969	353478933	/nfs/dbraw/zinc/47/89/33/353478933.db2.gz	IFVHLVWUPKDDFL-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](COC)C1	ZINC000062161006	353548024	/nfs/dbraw/zinc/54/80/24/353548024.db2.gz	IFLLPQRSXIEYKO-LLVKDONJSA-N	0	1	226.320	0.647	20	30		BCEDMN
CC#CCC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1	ZINC000284442350	353513377	/nfs/dbraw/zinc/51/33/77/353513377.db2.gz	ANAMIRHOJPTFLI-CYBMUJFWSA-N	0	1	248.330	0.518	20	30		BCEDMN
C=CCOCCCC(=O)N1CC(N(C)C)C1	ZINC000135024460	353526655	/nfs/dbraw/zinc/52/66/55/353526655.db2.gz	YSHPCOFCYHVWIM-UHFFFAOYSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NOCC(N)=O	ZINC000135163985	353539130	/nfs/dbraw/zinc/53/91/30/353539130.db2.gz	SFIWCPYWOCRZRU-SECBINFHSA-N	0	1	200.238	0.122	20	30		BCEDMN
C#CCCCC(=O)N[C@H](C)c1nnc[nH]1	ZINC000192142559	353544795	/nfs/dbraw/zinc/54/47/95/353544795.db2.gz	MYNJCMLCDCITMQ-MRVPVSSYSA-N	0	1	206.249	0.785	20	30		BCEDMN
C=CCn1c(=O)[nH]nc1SCc1c[nH]nn1	ZINC000287405616	353582350	/nfs/dbraw/zinc/58/23/50/353582350.db2.gz	BYDKMVXIQIHQTF-UHFFFAOYSA-N	0	1	238.276	0.168	20	30		BCEDMN
CC#CCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000135835127	353585310	/nfs/dbraw/zinc/58/53/10/353585310.db2.gz	DADGXEYKWRIDTF-VIFPVBQESA-N	0	1	234.303	0.972	20	30		BCEDMN
CN(CC#Cc1ccc(F)cc1)CCC(N)=O	ZINC000286519849	353562320	/nfs/dbraw/zinc/56/23/20/353562320.db2.gz	QRKWDBPBZYPIOH-UHFFFAOYSA-N	0	1	234.274	0.984	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)c1cn(C)nc1C	ZINC000289630194	353623291	/nfs/dbraw/zinc/62/32/91/353623291.db2.gz	FEGZZFJPVWSEGF-PSASIEDQSA-N	0	1	209.293	0.926	20	30		BCEDMN
CC#CCNC(=O)c1cnccc1N(C)C	ZINC000184249488	353623461	/nfs/dbraw/zinc/62/34/61/353623461.db2.gz	HHFAPLCOGZHILX-UHFFFAOYSA-N	0	1	217.272	0.901	20	30		BCEDMN
N#CC1(CN2CCC[C@@H](CC(N)=O)C2)CC1	ZINC000343313452	353628713	/nfs/dbraw/zinc/62/87/13/353628713.db2.gz	IEVIPKODONREMB-JTQLQIEISA-N	0	1	221.304	0.878	20	30		BCEDMN
C#Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1	ZINC000289985098	353645585	/nfs/dbraw/zinc/64/55/85/353645585.db2.gz	ZWOMRNCAOBLRSF-ZIAGYGMSSA-N	0	1	231.295	0.859	20	30		BCEDMN
C#Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1	ZINC000289985098	353645591	/nfs/dbraw/zinc/64/55/91/353645591.db2.gz	ZWOMRNCAOBLRSF-ZIAGYGMSSA-N	0	1	231.295	0.859	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000290632179	353666213	/nfs/dbraw/zinc/66/62/13/353666213.db2.gz	PKCOGTDSYWIOLH-NSHDSACASA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000184444460	353672496	/nfs/dbraw/zinc/67/24/96/353672496.db2.gz	NBGBLIQTWLCFTG-JTQLQIEISA-N	0	1	249.314	0.814	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC)C[C@H](C)OC	ZINC000291369647	353691651	/nfs/dbraw/zinc/69/16/51/353691651.db2.gz	ZUENGFNDLNAICV-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCNC(=O)CN(CC)C[C@H](C)OC	ZINC000291369647	353691654	/nfs/dbraw/zinc/69/16/54/353691654.db2.gz	ZUENGFNDLNAICV-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C=C[C@H](CO)NC(=O)NCC[N@H+](CC)C1CC1	ZINC000291376692	353691944	/nfs/dbraw/zinc/69/19/44/353691944.db2.gz	VPMGJZGKMGQUCF-SNVBAGLBSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=CCNC(=O)CN(C(C)C)[C@H]1CCOC1	ZINC000291923305	353702269	/nfs/dbraw/zinc/70/22/69/353702269.db2.gz	SLROTKCCFFTGRF-NSHDSACASA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCN1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000292942911	353730107	/nfs/dbraw/zinc/73/01/07/353730107.db2.gz	JZCCVRYMVLHENX-LLVKDONJSA-N	0	1	220.276	0.041	20	30		BCEDMN
C#CCN1CCC[C@H](n2cc(CO)nn2)C1	ZINC000292942912	353730384	/nfs/dbraw/zinc/73/03/84/353730384.db2.gz	JZCCVRYMVLHENX-NSHDSACASA-N	0	1	220.276	0.041	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C	ZINC000293547839	353747825	/nfs/dbraw/zinc/74/78/25/353747825.db2.gz	YRGSLOKJNRGOMD-GUBZILKMSA-N	0	1	239.319	0.727	20	30		BCEDMN
CCN(CC(=O)NCC#N)C[C@@H]1CCCO1	ZINC000066664818	353811701	/nfs/dbraw/zinc/81/17/01/353811701.db2.gz	FWYOFFTXQQYXJS-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296118087	353818487	/nfs/dbraw/zinc/81/84/87/353818487.db2.gz	HXRRJZPMJNCZMY-AOOOYVTPSA-N	0	1	211.309	0.906	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](SC)C1	ZINC000296493682	353822918	/nfs/dbraw/zinc/82/29/18/353822918.db2.gz	YXEXYDBRPOHBDG-ZJUUUORDSA-N	0	1	226.345	0.562	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000294928673	353793326	/nfs/dbraw/zinc/79/33/26/353793326.db2.gz	LGPPFMIPDLIAAW-KOLCDFICSA-N	0	1	247.298	0.942	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000185986817	353862818	/nfs/dbraw/zinc/86/28/18/353862818.db2.gz	MCRQPYAGFYNQNW-BDAKNGLRSA-N	0	1	217.272	0.968	20	30		BCEDMN
C#C[C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000186007485	353864052	/nfs/dbraw/zinc/86/40/52/353864052.db2.gz	HOBIXXBOUBNMAD-VHSXEESVSA-N	0	1	223.320	0.790	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCCO2)CC1	ZINC000186350438	353868378	/nfs/dbraw/zinc/86/83/78/353868378.db2.gz	LCGGDRGHRLZXDJ-UHFFFAOYSA-N	0	1	222.288	0.496	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(CO)cc1	ZINC000393854359	353851770	/nfs/dbraw/zinc/85/17/70/353851770.db2.gz	YBEZDCSGHOZKPW-UHFFFAOYSA-N	0	1	234.299	0.571	20	30		BCEDMN
N#CCCCN1CCN2CCOC[C@H]2C1	ZINC000368817311	181035843	/nfs/dbraw/zinc/03/58/43/181035843.db2.gz	MLQNONJXQGRPSC-LLVKDONJSA-N	0	1	209.293	0.307	20	30		BCEDMN
N#CCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343694464	353965983	/nfs/dbraw/zinc/96/59/83/353965983.db2.gz	IUGGDEQDHDKJHR-UHFFFAOYSA-N	0	1	237.219	0.742	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCCCF)c1=O	ZINC000577952747	366135625	/nfs/dbraw/zinc/13/56/25/366135625.db2.gz	YZEXHCYJHQFQEI-UHFFFAOYSA-N	0	1	211.196	0.158	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(CC)[C@@H](C)C1	ZINC000301018584	363296857	/nfs/dbraw/zinc/29/68/57/363296857.db2.gz	IXEKIYLEKWLANC-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCCCNC(=O)CN1CCN(CC)CC1	ZINC000344453255	354262581	/nfs/dbraw/zinc/26/25/81/354262581.db2.gz	YXGAYSGJVYKADN-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C=CCOCCCN1C[C@@H](OC)C[C@H]1C(N)=O	ZINC000344558249	354295768	/nfs/dbraw/zinc/29/57/68/354295768.db2.gz	XWVQPLFLBVXFPH-QWRGUYRKSA-N	0	1	242.319	0.154	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N(C)C1CC(O)C1	ZINC000332074591	134003977	/nfs/dbraw/zinc/00/39/77/134003977.db2.gz	WGVVCVKEXBUJPH-KPPDAEKUSA-N	0	1	239.319	0.202	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2CC[C@@H](CO)O2)o1	ZINC000353686050	181108323	/nfs/dbraw/zinc/10/83/23/181108323.db2.gz	JKRPFASRAXXCGZ-RYUDHWBXSA-N	0	1	236.271	0.781	20	30		BCEDMN
N#Cc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	ZINC000236592293	181105432	/nfs/dbraw/zinc/10/54/32/181105432.db2.gz	YPKWOLMBDSTNNH-RYUDHWBXSA-N	0	1	218.256	0.096	20	30		BCEDMN
CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000344707254	354353081	/nfs/dbraw/zinc/35/30/81/354353081.db2.gz	PXUMSTGJPSFFRZ-XHNCKOQMSA-N	0	1	226.276	0.850	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@@]1(C#N)CC1(C)C	ZINC000334630632	354373557	/nfs/dbraw/zinc/37/35/57/354373557.db2.gz	MNVBGUZOVLFGFR-BXKDBHETSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCOC[C@@H](C)C2)C1=O	ZINC000335920505	134007156	/nfs/dbraw/zinc/00/71/56/134007156.db2.gz	MMQDUHXHWAFRKK-NWDGAFQWSA-N	0	1	238.331	0.742	20	30		BCEDMN
COC(=O)C(C)(C)N(C)C(=O)C(C)C#N	ZINC000345903920	354803891	/nfs/dbraw/zinc/80/38/91/354803891.db2.gz	BAMXUNTTZSQSJE-ZETCQYMHSA-N	0	1	212.249	0.556	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(CC)CC1	ZINC000301053219	363396679	/nfs/dbraw/zinc/39/66/79/363396679.db2.gz	XTFQRPLMBSWLFH-JTQLQIEISA-N	0	1	212.293	0.352	20	30		BCEDMN
CC#CCCNC(=O)N1CCNC(C)(C)C1	ZINC000335141053	354845069	/nfs/dbraw/zinc/84/50/69/354845069.db2.gz	YKKPLNCNKNBHQX-UHFFFAOYSA-N	0	1	223.320	0.793	20	30		BCEDMN
C=CCN(C(=O)NC[C@@H]1COCCN1)C1CC1	ZINC000627187612	363444223	/nfs/dbraw/zinc/44/42/23/363444223.db2.gz	LTNAGSKUMVVXPB-SNVBAGLBSA-N	0	1	239.319	0.335	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)C[C@@H]1COCCN1	ZINC000087509560	355353273	/nfs/dbraw/zinc/35/32/73/355353273.db2.gz	LXHZZFSMYPWBQM-VHSXEESVSA-N	0	1	225.292	0.125	20	30		BCEDMN
N#Cc1cncnc1N[C@H]1CCN(C2CC2)C1	ZINC000383860936	355416943	/nfs/dbraw/zinc/41/69/43/355416943.db2.gz	CQLLJLMLWYUSKG-JTQLQIEISA-N	0	1	229.287	0.419	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccccc1Cl	ZINC000491622949	491079326	/nfs/dbraw/zinc/07/93/26/491079326.db2.gz	JKKDRMSVHHBUQV-SKDRFNHKSA-N	0	1	239.702	0.957	20	30		BCEDMN
C=CCN1CCC(N(C)S(C)(=O)=O)CC1	ZINC000335796927	355453552	/nfs/dbraw/zinc/45/35/52/355453552.db2.gz	RBGZAPAVSWPWFL-UHFFFAOYSA-N	0	1	232.349	0.528	20	30		BCEDMN
C=C[C@H]1CCCCN1CC(=O)N1CCNC1=O	ZINC000335852549	355596578	/nfs/dbraw/zinc/59/65/78/355596578.db2.gz	RPIHUGALAODULG-JTQLQIEISA-N	0	1	237.303	0.579	20	30		BCEDMN
CC#CCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000336025715	134056875	/nfs/dbraw/zinc/05/68/75/134056875.db2.gz	GMVRXMNBQIGDCQ-VIFPVBQESA-N	0	1	232.287	0.590	20	30		BCEDMN
N#Cc1cccc(CNCC(=O)NC2CC2)c1	ZINC000035142859	355851743	/nfs/dbraw/zinc/85/17/43/355851743.db2.gz	BSYPSYAMBXSNRO-UHFFFAOYSA-N	0	1	229.283	0.926	20	30		BCEDMN
C=CCOCCCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000176214851	166417320	/nfs/dbraw/zinc/41/73/20/166417320.db2.gz	KCBKZIRXSUBKGF-VIFPVBQESA-N	0	1	238.291	0.965	20	30		BCEDMN
Cn1cc(CN2C[C@@H](O)C3(CC3)C2)cc1C#N	ZINC000336089551	134078201	/nfs/dbraw/zinc/07/82/01/134078201.db2.gz	IAAOXOCPBQJPGN-GFCCVEGCSA-N	0	1	231.299	0.853	20	30		BCEDMN
C[C@H](CN(C)C(=O)C1(C#N)CCC1)c1nn[nH]n1	ZINC000330042701	356164079	/nfs/dbraw/zinc/16/40/79/356164079.db2.gz	DWECSNIHTBVVKE-MRVPVSSYSA-N	0	1	248.290	0.455	20	30		BCEDMN
CC1(C[NH+]=C([O-])N[C@@H]2CCc3ncnn3C2)CC1	ZINC000330049264	356164574	/nfs/dbraw/zinc/16/45/74/356164574.db2.gz	JHBFAHNHGKSMIH-SECBINFHSA-N	0	1	249.318	0.897	20	30		BCEDMN
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C=C(C)CS(=O)(=O)NC[C@@H]1CCCN1C	ZINC000435431187	201271658	/nfs/dbraw/zinc/27/16/58/201271658.db2.gz	HJCFSAFOZUTKSS-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C=C(C)CS(=O)(=O)NC[C@H]1CCCN1C	ZINC000435431188	201271965	/nfs/dbraw/zinc/27/19/65/201271965.db2.gz	HJCFSAFOZUTKSS-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
N#Cc1c(F)cccc1C(=O)NCc1c[nH]nn1	ZINC000614628755	363913430	/nfs/dbraw/zinc/91/34/30/363913430.db2.gz	BCLUUABISZNMPJ-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000614796074	363974497	/nfs/dbraw/zinc/97/44/97/363974497.db2.gz	VIRUGUOKWDMHFG-LDWIPMOCSA-N	0	1	224.264	0.227	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000622116348	370720169	/nfs/dbraw/zinc/72/01/69/370720169.db2.gz	VZGIMINCLRLHFE-SNVBAGLBSA-N	0	1	241.247	0.061	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCNCC1	ZINC000573834058	364926554	/nfs/dbraw/zinc/92/65/54/364926554.db2.gz	KQXJHNBLDSQQQO-QWRGUYRKSA-N	0	1	239.319	0.192	20	30		BCEDMN
CC(C)NC(=O)CCNC[C@@H](C#N)CCC#N	ZINC000574032797	364971401	/nfs/dbraw/zinc/97/14/01/364971401.db2.gz	WGAYNCBFHKQFCS-LLVKDONJSA-N	0	1	236.319	0.934	20	30		BCEDMN
C=CCn1nnnc1SCCc1c[nH]nn1	ZINC000574473058	365071168	/nfs/dbraw/zinc/07/11/68/365071168.db2.gz	MGAZRIDDWYKZLG-UHFFFAOYSA-N	0	1	237.292	0.312	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCO[C@@H](C)C1	ZINC000575759421	365356572	/nfs/dbraw/zinc/35/65/72/365356572.db2.gz	SUVWGVMLCPQMMT-RYUDHWBXSA-N	0	1	225.336	0.989	20	30		BCEDMN
C=C(C)CS(=O)(=O)NC1CCN(C)CC1	ZINC000184303179	367071577	/nfs/dbraw/zinc/07/15/77/367071577.db2.gz	GOKLCPMFYBOEDY-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
N#CCCN[C@H]1CCC(=O)N[C@H]1C1CC1	ZINC000580770284	367160130	/nfs/dbraw/zinc/16/01/30/367160130.db2.gz	WPHSLFDFUYONBK-ONGXEEELSA-N	0	1	207.277	0.547	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)NC[C@H](C)C#N	ZINC000581039554	367242738	/nfs/dbraw/zinc/24/27/38/367242738.db2.gz	BTTGGNKJHNTVBR-SNVBAGLBSA-N	0	1	247.364	0.407	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1C(=O)N[C@@H](C)C1=O	ZINC000581319021	367345127	/nfs/dbraw/zinc/34/51/27/367345127.db2.gz	ONVKNZHRYMGVPO-IUCAKERBSA-N	0	1	238.291	0.209	20	30		BCEDMN
C[C@@H](O)CN(Cc1ccc(C#N)cn1)[C@@H](C)CO	ZINC000581455302	367478733	/nfs/dbraw/zinc/47/87/33/367478733.db2.gz	CZBXHKWGQCENJO-WDEREUQCSA-N	0	1	249.314	0.517	20	30		BCEDMN
C[C@H](CO)N(Cc1ccc(C#N)cn1)C[C@H](C)O	ZINC000581455300	367478758	/nfs/dbraw/zinc/47/87/58/367478758.db2.gz	CZBXHKWGQCENJO-MNOVXSKESA-N	0	1	249.314	0.517	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)C[C@H]1C	ZINC000384958737	367765138	/nfs/dbraw/zinc/76/51/38/367765138.db2.gz	RHXMETOKUWNMPO-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C1CCN(C(=O)CCc2nn[nH]n2)CC1	ZINC000630932170	367989326	/nfs/dbraw/zinc/98/93/26/367989326.db2.gz	ZZEINPZOIYFFBY-UHFFFAOYSA-N	0	1	221.264	0.311	20	30		BCEDMN
CCc1nc(CN2CC[C@](F)(C#N)C2)n[nH]1	ZINC000615638213	368179636	/nfs/dbraw/zinc/17/96/36/368179636.db2.gz	LWZPPLKUWWBFHS-JTQLQIEISA-N	0	1	223.255	0.805	20	30		BCEDMN
C=C[C@H](O)C(=O)NCc1n[nH]c(C(C)C)n1	ZINC000615666042	368198357	/nfs/dbraw/zinc/19/83/57/368198357.db2.gz	ATVKPYSHJIOJHK-ZETCQYMHSA-N	0	1	224.264	0.091	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1n[nH]c(C(C)C)n1	ZINC000615666035	368198385	/nfs/dbraw/zinc/19/83/85/368198385.db2.gz	ATQRPFZYGJDVAU-NSHDSACASA-N	0	1	238.291	0.481	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000566509177	326060933	/nfs/dbraw/zinc/06/09/33/326060933.db2.gz	CGRCEYYYVVBTDO-QWRGUYRKSA-N	0	1	243.303	0.753	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(CC)C1CC1	ZINC000045770839	368432841	/nfs/dbraw/zinc/43/28/41/368432841.db2.gz	AXMBIMWDGBPFJC-UHFFFAOYSA-N	0	1	225.292	0.483	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000615825571	368465131	/nfs/dbraw/zinc/46/51/31/368465131.db2.gz	ROSCROWAYUMQOS-SNVBAGLBSA-N	0	1	222.223	0.416	20	30		BCEDMN
N#CCN1CCC(CCN2CCOCC2)CC1	ZINC000064344390	368604754	/nfs/dbraw/zinc/60/47/54/368604754.db2.gz	NNSDNVCBCLEMMF-UHFFFAOYSA-N	0	1	237.347	0.944	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000068081206	368713102	/nfs/dbraw/zinc/71/31/02/368713102.db2.gz	MBFPMAWCBWLSDW-LBPRGKRZSA-N	0	1	247.342	0.950	20	30		BCEDMN
C#CCN1CCC(C(=O)N(CC#N)C2CC2)CC1	ZINC000068230570	368718484	/nfs/dbraw/zinc/71/84/84/368718484.db2.gz	HBTMGFIVRZOTEB-UHFFFAOYSA-N	0	1	245.326	0.846	20	30		BCEDMN
CCC(N)=NOCc1cccc(C(N)=O)c1	ZINC000067385567	368686490	/nfs/dbraw/zinc/68/64/90/368686490.db2.gz	YKCQATMZLMRZTN-UHFFFAOYSA-N	0	1	221.260	0.984	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2ncn[nH]2)cc1	ZINC000095039479	368944726	/nfs/dbraw/zinc/94/47/26/368944726.db2.gz	AWQLVJOXBMIXNS-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2nc[nH]n2)cc1	ZINC000095039479	368944728	/nfs/dbraw/zinc/94/47/28/368944728.db2.gz	AWQLVJOXBMIXNS-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
N#Cc1cccc(CNC(=O)c2ncn[nH]2)c1	ZINC000095039481	368945537	/nfs/dbraw/zinc/94/55/37/368945537.db2.gz	AWICIGUPRPTJAB-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
N#Cc1cccc(CNC(=O)c2nc[nH]n2)c1	ZINC000095039481	368945544	/nfs/dbraw/zinc/94/55/44/368945544.db2.gz	AWICIGUPRPTJAB-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCCCc1nc[nH]n1	ZINC000567513398	326208207	/nfs/dbraw/zinc/20/82/07/326208207.db2.gz	RDMHYVJLYXWSTP-LLVKDONJSA-N	0	1	238.291	0.181	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CCOC[C@@H]1C#N	ZINC000260198201	370983321	/nfs/dbraw/zinc/98/33/21/370983321.db2.gz	WZIWCVUCIARBDJ-QWRGUYRKSA-N	0	1	237.303	0.222	20	30		BCEDMN
COC[C@H](O)CN(C)[C@@H]1CCC[C@H]1C#N	ZINC000250413932	369525016	/nfs/dbraw/zinc/52/50/16/369525016.db2.gz	OGERUGOISBODGK-HBNTYKKESA-N	0	1	212.293	0.618	20	30		BCEDMN
CN[C@H](C)c1cn(-c2ncccc2C#N)nn1	ZINC000600976024	369582303	/nfs/dbraw/zinc/58/23/03/369582303.db2.gz	HNMQXTKMHOPHNT-MRVPVSSYSA-N	0	1	228.259	0.814	20	30		BCEDMN
CNCc1cn(Cc2cccc(C#N)c2)nn1	ZINC000600973813	369583335	/nfs/dbraw/zinc/58/33/35/369583335.db2.gz	XRMMEXGNOURZAI-UHFFFAOYSA-N	0	1	227.271	0.917	20	30		BCEDMN
C[C@@H](Nc1ccncc1C#N)C1N=NC(=O)N1C	ZINC000601186998	369602940	/nfs/dbraw/zinc/60/29/40/369602940.db2.gz	JWLYTWXBNLWNEZ-SSDOTTSWSA-N	0	1	244.258	0.382	20	30		BCEDMN
C[C@@H](CC(N)=O)NCc1cccc(C#N)n1	ZINC000602569709	369814830	/nfs/dbraw/zinc/81/48/30/369814830.db2.gz	RFRKDBAUZSZBRM-QMMMGPOBSA-N	0	1	218.260	0.307	20	30		BCEDMN
C[C@@]1(C(=O)Nc2cccc(C#N)c2)CNCCO1	ZINC000602602147	369827702	/nfs/dbraw/zinc/82/77/02/369827702.db2.gz	AHJGFAVMXKBXHL-ZDUSSCGKSA-N	0	1	245.282	0.875	20	30		BCEDMN
C[S@](=O)C1(CNCc2cccc(C#N)n2)CC1	ZINC000602658732	369835050	/nfs/dbraw/zinc/83/50/50/369835050.db2.gz	XBCGXCYIOHLHOU-KRWDZBQOSA-N	0	1	249.339	0.954	20	30		BCEDMN
COC[C@H](O)CNCc1cccc(C#N)n1	ZINC000602653544	369835407	/nfs/dbraw/zinc/83/54/07/369835407.db2.gz	NGHWCWUIYSAIFO-LLVKDONJSA-N	0	1	221.260	0.050	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2ccc(C#N)cn2)nn1	ZINC000603224462	369899304	/nfs/dbraw/zinc/89/93/04/369899304.db2.gz	ZKXFUKFWGKKMGH-VIFPVBQESA-N	0	1	242.286	0.873	20	30		BCEDMN
CN[C@H](C)c1cn(Cc2ccncc2C#N)nn1	ZINC000603254186	369905742	/nfs/dbraw/zinc/90/57/42/369905742.db2.gz	MLOYZOFVNILBER-SECBINFHSA-N	0	1	242.286	0.873	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2cnn[nH]2)c(F)c1	ZINC000113125823	370379942	/nfs/dbraw/zinc/37/99/42/370379942.db2.gz	VRIWYZTWFOHGDT-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCCCc1cn[nH]c1C	ZINC000621819441	370548855	/nfs/dbraw/zinc/54/88/55/370548855.db2.gz	LOXATNJUSGEHKN-LBPRGKRZSA-N	0	1	237.303	0.704	20	30		BCEDMN
CN(C[C@@H]1CCC[N@H+]1C)c1nccnc1C#N	ZINC000092631229	371106050	/nfs/dbraw/zinc/10/60/50/371106050.db2.gz	YOSYNUPIDYRTAG-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
COC[C@](C)(O)CCNC[C@@H](C#N)CCC#N	ZINC000569112260	326390745	/nfs/dbraw/zinc/39/07/45/326390745.db2.gz	VXVWSFFWJNYDFO-VXGBXAGGSA-N	0	1	239.319	0.807	20	30		BCEDMN
CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccnc(C#N)c1	ZINC000228060263	371983059	/nfs/dbraw/zinc/98/30/59/371983059.db2.gz	DFHKNGNEDFABQX-SNVBAGLBSA-N	0	1	246.314	0.767	20	30		BCEDMN
C[C@@]1(O)CC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000228060309	371983404	/nfs/dbraw/zinc/98/34/04/371983404.db2.gz	QUGZNISBKDEICW-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C[C@@]1(O)CCN(Cc2ccnc(C#N)c2)C1	ZINC000228060309	371983410	/nfs/dbraw/zinc/98/34/10/371983410.db2.gz	QUGZNISBKDEICW-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=CCCOCCNC(=O)Cc1nnc[nH]1	ZINC000632129755	372771978	/nfs/dbraw/zinc/77/19/78/372771978.db2.gz	NVCHIJAGIDLWKO-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
CC#CCCNC(=O)CCc1c[nH]nn1	ZINC000632331449	372886796	/nfs/dbraw/zinc/88/67/96/372886796.db2.gz	MSUHURNOMUTMHZ-UHFFFAOYSA-N	0	1	206.249	0.267	20	30		BCEDMN
CC#CCCNC(=O)CCc1cnn[nH]1	ZINC000632331449	372886807	/nfs/dbraw/zinc/88/68/07/372886807.db2.gz	MSUHURNOMUTMHZ-UHFFFAOYSA-N	0	1	206.249	0.267	20	30		BCEDMN
C=CCCS(=O)(=O)NCC1(N(C)C)CC1	ZINC000632488323	372970045	/nfs/dbraw/zinc/97/00/45/372970045.db2.gz	RISJKLHEIIHNGO-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CCCCCNC(=O)Cc1nnc[nH]1	ZINC000632520112	372985660	/nfs/dbraw/zinc/98/56/60/372985660.db2.gz	ASCRIGPFEHDHBF-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=CCCN(C)C(=O)CCc1c[nH]nn1	ZINC000632703109	373077648	/nfs/dbraw/zinc/07/76/48/373077648.db2.gz	OVRLTWHGWQIGCB-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C=CCCN(C)C(=O)CCc1cnn[nH]1	ZINC000632703109	373077656	/nfs/dbraw/zinc/07/76/56/373077656.db2.gz	OVRLTWHGWQIGCB-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C=CCN(CCOC)C(=O)Cc1ncn[nH]1	ZINC000632749791	373126139	/nfs/dbraw/zinc/12/61/39/373126139.db2.gz	GMNNEEGBERQSDM-UHFFFAOYSA-N	0	1	224.264	0.008	20	30		BCEDMN
C=CCOCCCNC(=O)Cc1nnc[nH]1	ZINC000633628698	373640075	/nfs/dbraw/zinc/64/00/75/373640075.db2.gz	TXBZSYDWJFUYGI-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnc(N(C)C)nc1	ZINC000289444308	206028106	/nfs/dbraw/zinc/02/81/06/206028106.db2.gz	AZWCFRVSPBHHKB-JTQLQIEISA-N	0	1	222.292	0.179	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)o2)C1	ZINC000334467458	383895860	/nfs/dbraw/zinc/89/58/60/383895860.db2.gz	DZYOKLTZAIMZML-UHFFFAOYSA-N	0	1	219.244	0.537	20	30		BCEDMN
CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O	ZINC000395352931	383905630	/nfs/dbraw/zinc/90/56/30/383905630.db2.gz	GFHWPSDGXHVDST-CHWSQXEVSA-N	0	1	232.283	0.750	20	30		BCEDMN
COC[C@H](CO)NCc1ccc(C#N)s1	ZINC000234789405	383996736	/nfs/dbraw/zinc/99/67/36/383996736.db2.gz	VJRGNGXFBIYCBX-QMMMGPOBSA-N	0	1	226.301	0.717	20	30		BCEDMN
C[C@H](NC(=O)c1cc(C#N)ccn1)c1nnc[nH]1	ZINC000339363342	383970374	/nfs/dbraw/zinc/97/03/74/383970374.db2.gz	SBSIHUJLHFGALK-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
O=C(NC1(c2nnc[nH]2)CCC1)c1cncnc1	ZINC000330342818	384024882	/nfs/dbraw/zinc/02/48/82/384024882.db2.gz	BGEKFDFSIPFQLT-UHFFFAOYSA-N	0	1	244.258	0.979	20	30		BCEDMN
CCCS(=O)(=O)Nc1c(C#N)cnn1CC	ZINC000187762149	384035814	/nfs/dbraw/zinc/03/58/14/384035814.db2.gz	MKRDPUBFAUYYID-UHFFFAOYSA-N	0	1	242.304	0.926	20	30		BCEDMN
COC[C@@H](O)CCNCc1nc(C#N)cs1	ZINC000309630942	384101067	/nfs/dbraw/zinc/10/10/67/384101067.db2.gz	HSTUBBBMVJCBNY-VIFPVBQESA-N	0	1	241.316	0.502	20	30		BCEDMN
CC[C@@H](CO)NCc1nc(C#N)cs1	ZINC000336653137	384245432	/nfs/dbraw/zinc/24/54/32/384245432.db2.gz	LHTRBGWMPFSGTJ-ZETCQYMHSA-N	0	1	211.290	0.875	20	30		BCEDMN
CN(C)CC(=O)NCc1cc(C#N)ccc1F	ZINC000174546730	384342543	/nfs/dbraw/zinc/34/25/43/384342543.db2.gz	SZDPLJGTZVRGFY-UHFFFAOYSA-N	0	1	235.262	0.875	20	30		BCEDMN
CC(C)(CC#N)CNc1ccncc1C(N)=O	ZINC000560821033	384368834	/nfs/dbraw/zinc/36/88/34/384368834.db2.gz	AGPOEFBXNDCYKA-UHFFFAOYSA-N	0	1	232.287	0.954	20	30		BCEDMN
C=C[C@@H](O)C(=O)Nc1ccc2[nH]nnc2c1	ZINC000646898375	384415868	/nfs/dbraw/zinc/41/58/68/384415868.db2.gz	RJODJDZOXDHUAN-SECBINFHSA-N	0	1	218.216	0.443	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)[C@H](C)OC	ZINC000490876408	384455785	/nfs/dbraw/zinc/45/57/85/384455785.db2.gz	UHUXSYKEMGCIIM-QWRGUYRKSA-N	0	1	225.288	0.662	20	30		BCEDMN
C#CCCNC(=O)[C@]1(N(C)C)CCCSC1	ZINC000372856835	533066029	/nfs/dbraw/zinc/06/60/29/533066029.db2.gz	KBCIWRYTEGLBOS-LBPRGKRZSA-N	0	1	240.372	0.953	20	30		BCEDMN
C#CCCNC(=O)[C@@]1(N(C)C)CCCSC1	ZINC000372856833	533065337	/nfs/dbraw/zinc/06/53/37/533065337.db2.gz	KBCIWRYTEGLBOS-GFCCVEGCSA-N	0	1	240.372	0.953	20	30		BCEDMN
C#CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000490877249	384458689	/nfs/dbraw/zinc/45/86/89/384458689.db2.gz	XJCVVAPFPQHEHV-LLVKDONJSA-N	0	1	240.372	0.905	20	30		BCEDMN
C#CCN(CC)C(=O)CN(C)[C@@H]1CCSC1	ZINC000490877249	384458693	/nfs/dbraw/zinc/45/86/93/384458693.db2.gz	XJCVVAPFPQHEHV-LLVKDONJSA-N	0	1	240.372	0.905	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCNC(=O)[C@@H]1C	ZINC000249105624	384490630	/nfs/dbraw/zinc/49/06/30/384490630.db2.gz	XBKDUBIEARRAJS-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCN(CC=C)C(=O)CCc1nc[nH]n1	ZINC000175843600	384492354	/nfs/dbraw/zinc/49/23/54/384492354.db2.gz	JWVHUZXNKBONBL-UHFFFAOYSA-N	0	1	220.276	0.938	20	30		BCEDMN
Cc1cc(C(=O)N(CCC#N)CCC#N)n[nH]1	ZINC000049377252	384533074	/nfs/dbraw/zinc/53/30/74/384533074.db2.gz	WNNQZLZQDSEWOC-UHFFFAOYSA-N	0	1	231.259	0.988	20	30		BCEDMN
CC#CCCN(CCOC)[C@@H](C)C(N)=O	ZINC000155586597	384725092	/nfs/dbraw/zinc/72/50/92/384725092.db2.gz	RJHBDJFIOAKHAI-JTQLQIEISA-N	0	1	212.293	0.222	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CCC[C@H]1CO	ZINC000050115104	384693971	/nfs/dbraw/zinc/69/39/71/384693971.db2.gz	DCIRWKWFUIIMQS-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CCNC(=O)N1CCN(C)C[C@H]1CC	ZINC000518111746	384694338	/nfs/dbraw/zinc/69/43/38/384694338.db2.gz	XKPAQBKIOHHAIF-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C	ZINC000491808657	384800429	/nfs/dbraw/zinc/80/04/29/384800429.db2.gz	VIAIVAGOVRMUTM-IWSPIJDZSA-N	0	1	210.233	0.426	20	30		BCEDMN
C=CCC(F)(F)C(=O)Nc1nccn(C)c1=O	ZINC000297577783	384855843	/nfs/dbraw/zinc/85/58/43/384855843.db2.gz	DQFHDXFSNTZJGV-UHFFFAOYSA-N	0	1	243.213	0.930	20	30		BCEDMN
N#CC1(C[C@H](O)C[N@H+]2CC[C@H](O)C2)CC1	ZINC000528373980	384899465	/nfs/dbraw/zinc/89/94/65/384899465.db2.gz	SFTGDTMWJVVHFO-UWVGGRQHSA-N	0	1	210.277	0.108	20	30		BCEDMN
C#CCCCCC(=O)Nc1nn[nH]c1C(=O)NC	ZINC000297731917	384900149	/nfs/dbraw/zinc/90/01/49/384900149.db2.gz	MJSGWBNDMWOHME-UHFFFAOYSA-N	0	1	249.274	0.296	20	30		BCEDMN
Cc1ncc(C(=O)N2CCSC[C@@H]2C#N)[nH]1	ZINC000271777393	384927098	/nfs/dbraw/zinc/92/70/98/384927098.db2.gz	RMHFJYKJFFZRKC-QMMMGPOBSA-N	0	1	236.300	0.799	20	30		BCEDMN
COC[C@H](CNCc1ccc(C#N)o1)OC	ZINC000227706334	384966890	/nfs/dbraw/zinc/96/68/90/384966890.db2.gz	HEHKDNJHQIQKLO-NSHDSACASA-N	0	1	224.260	0.902	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H](C)O	ZINC000245902780	385080666	/nfs/dbraw/zinc/08/06/66/385080666.db2.gz	UIEQDWFIAUVOKS-VXGBXAGGSA-N	0	1	240.347	0.888	20	30		BCEDMN
N#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1CC1	ZINC000108829210	385095039	/nfs/dbraw/zinc/09/50/39/385095039.db2.gz	NTZLDRFRDJMMSS-SNVBAGLBSA-N	0	1	230.271	0.930	20	30		BCEDMN
C=CCn1cc(CNC[C@@H](O)CC)nn1	ZINC000644675524	385099140	/nfs/dbraw/zinc/09/91/40/385099140.db2.gz	SOICAOHIVATSNC-JTQLQIEISA-N	0	1	210.281	0.325	20	30		BCEDMN
CCN(C)C(=O)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000189599278	385219421	/nfs/dbraw/zinc/21/94/21/385219421.db2.gz	ZLKGIDFCNSKMLY-JTQLQIEISA-N	0	1	248.330	0.853	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CCc1nc[nH]n1	ZINC000491288711	385309680	/nfs/dbraw/zinc/30/96/80/385309680.db2.gz	UHVXIZDTPNLHFP-MRVPVSSYSA-N	0	1	206.249	0.265	20	30		BCEDMN
CN(Cc1nnc[nH]1)[C@H]1CC[C@H](C#N)C1	ZINC000407991291	385319135	/nfs/dbraw/zinc/31/91/35/385319135.db2.gz	UUSLSYVAXWWJGU-IUCAKERBSA-N	0	1	205.265	0.929	20	30		BCEDMN
CCN(CC#N)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000407998070	385345017	/nfs/dbraw/zinc/34/50/17/385345017.db2.gz	QNXIGBYPVXLKJV-QMMMGPOBSA-N	0	1	233.275	0.282	20	30		BCEDMN
CCN(CC#N)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000407998070	385345019	/nfs/dbraw/zinc/34/50/19/385345019.db2.gz	QNXIGBYPVXLKJV-QMMMGPOBSA-N	0	1	233.275	0.282	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000408000183	385350293	/nfs/dbraw/zinc/35/02/93/385350293.db2.gz	ZUTIJPWHGZOYRV-BDAKNGLRSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000408000183	385350299	/nfs/dbraw/zinc/35/02/99/385350299.db2.gz	ZUTIJPWHGZOYRV-BDAKNGLRSA-N	0	1	247.302	0.670	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)NC[C@H]2C1	ZINC000247628054	385358815	/nfs/dbraw/zinc/35/88/15/385358815.db2.gz	UMONGUFFBFQJTA-QWRGUYRKSA-N	0	1	239.319	0.023	20	30		BCEDMN
C#CCN(CC#C)Cc1n[nH]c(C(C)C)n1	ZINC000292379480	533119032	/nfs/dbraw/zinc/11/90/32/533119032.db2.gz	HIDVVENZKLIXOG-UHFFFAOYSA-N	0	1	216.288	0.997	20	30		BCEDMN
C#CCNC(=O)N1CC[N@H+](CC)C[C@@H]1CC	ZINC000491373448	385479070	/nfs/dbraw/zinc/47/90/70/385479070.db2.gz	MZGLVIUMZOCCNP-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C#CCNC(=O)N1CCN(CC)C[C@@H]1CC	ZINC000491373448	385479075	/nfs/dbraw/zinc/47/90/75/385479075.db2.gz	MZGLVIUMZOCCNP-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C=CCN(C)S(=O)(=O)c1ncc[nH]1	ZINC000308139294	385463982	/nfs/dbraw/zinc/46/39/82/385463982.db2.gz	RHEVLPJEBUJLNL-UHFFFAOYSA-N	0	1	201.251	0.216	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCCc2c[nH]nc21	ZINC000367195647	533125054	/nfs/dbraw/zinc/12/50/54/533125054.db2.gz	NKZOVYPWDJKFOX-NSHDSACASA-N	0	1	242.282	0.815	20	30		BCEDMN
CC(C)OC[C@H](O)CN1CC[C@](O)(CC#N)C1	ZINC000592146264	385567798	/nfs/dbraw/zinc/56/77/98/385567798.db2.gz	ASSXSFWZIKEGLS-VXGBXAGGSA-N	0	1	242.319	0.123	20	30		BCEDMN
CC(C)OC[C@@H](O)CN1CC[C@](O)(CC#N)C1	ZINC000592146261	385568041	/nfs/dbraw/zinc/56/80/41/385568041.db2.gz	ASSXSFWZIKEGLS-NWDGAFQWSA-N	0	1	242.319	0.123	20	30		BCEDMN
CN(C)C[C@@H]1CCCN1S(=O)(=O)CCC#N	ZINC000408457635	385708098	/nfs/dbraw/zinc/70/80/98/385708098.db2.gz	BWBPKEOXPQUGRP-JTQLQIEISA-N	0	1	245.348	0.256	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)CCc1c[nH]nn1	ZINC000601585232	385709950	/nfs/dbraw/zinc/70/99/50/385709950.db2.gz	FTKSMDJYXGKFII-LLVKDONJSA-N	0	1	233.275	0.546	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)CCc1cnn[nH]1	ZINC000601585232	385709957	/nfs/dbraw/zinc/70/99/57/385709957.db2.gz	FTKSMDJYXGKFII-LLVKDONJSA-N	0	1	233.275	0.546	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc(CNCC)nn1	ZINC000603233719	385846029	/nfs/dbraw/zinc/84/60/29/385846029.db2.gz	KBCNEGLRZXJZPY-SECBINFHSA-N	0	1	224.264	0.288	20	30		BCEDMN
N#Cc1cnc(NCCN2CCSCC2)cn1	ZINC000228850129	385847554	/nfs/dbraw/zinc/84/75/54/385847554.db2.gz	KDWSVZWHSVXZRX-UHFFFAOYSA-N	0	1	249.343	0.809	20	30		BCEDMN
C#CCN1CCC(Nc2nccc(OC)n2)CC1	ZINC000192867854	533150930	/nfs/dbraw/zinc/15/09/30/533150930.db2.gz	DHZSMEFDCVSZTJ-UHFFFAOYSA-N	0	1	246.314	0.995	20	30		BCEDMN
C#CCN1CCC(n2cnc(C#N)n2)CC1	ZINC000373397740	533150952	/nfs/dbraw/zinc/15/09/52/533150952.db2.gz	CDWHSZKQESTXJM-UHFFFAOYSA-N	0	1	215.260	0.420	20	30		BCEDMN
C=C1CCN(CCCS(=O)(=O)N(C)C)CC1	ZINC000341991509	385915893	/nfs/dbraw/zinc/91/58/93/385915893.db2.gz	AFNCRTHMENJIHU-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN1CCN(CC)CC1	ZINC000345173567	386042435	/nfs/dbraw/zinc/04/24/35/386042435.db2.gz	HPTBCPQDDQKKLZ-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
C=CCN1CC[C@H](N2C[C@H](O)C(C)(C)C2)C1=O	ZINC000334460942	386122739	/nfs/dbraw/zinc/12/27/39/386122739.db2.gz	ODARBLUVMUVJHF-QWRGUYRKSA-N	0	1	238.331	0.476	20	30		BCEDMN
CCNC(=O)CNCc1cc(C#N)cs1	ZINC000086500140	386162239	/nfs/dbraw/zinc/16/22/39/386162239.db2.gz	LWIOADGILRKGRM-UHFFFAOYSA-N	0	1	223.301	0.845	20	30		BCEDMN
CN(C)CC(=O)N(CCC#N)Cc1ccccn1	ZINC000274932997	386165156	/nfs/dbraw/zinc/16/51/56/386165156.db2.gz	DRAWATHQLAQWHI-UHFFFAOYSA-N	0	1	246.314	0.885	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000424968729	386258008	/nfs/dbraw/zinc/25/80/08/386258008.db2.gz	XMDLSGXYEQDCNR-NKWVEPMBSA-N	0	1	249.230	0.740	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)C1CC1	ZINC000347220838	386287107	/nfs/dbraw/zinc/28/71/07/386287107.db2.gz	BOTWVRRLHHEZBC-HTRCEHHLSA-N	0	1	210.233	0.214	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)C1CC1	ZINC000347220842	386287916	/nfs/dbraw/zinc/28/79/16/386287916.db2.gz	BOTWVRRLHHEZBC-SVRRBLITSA-N	0	1	210.233	0.214	20	30		BCEDMN
C=CCCC(=O)N1C[C@H](C)N(CCO)C[C@H]1C	ZINC000416300233	386264819	/nfs/dbraw/zinc/26/48/19/386264819.db2.gz	SYWAOYGOUZIMGC-NWDGAFQWSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCCC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C	ZINC000416300232	386264859	/nfs/dbraw/zinc/26/48/59/386264859.db2.gz	SYWAOYGOUZIMGC-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
CC#CCN(C)CCN1CCO[C@H](C)C1	ZINC000339759237	386593378	/nfs/dbraw/zinc/59/33/78/386593378.db2.gz	XXCGMYJDRIWRGR-GFCCVEGCSA-N	0	1	210.321	0.662	20	30		BCEDMN
C=CCCCCCN1CCO[C@H](C(N)=O)C1	ZINC000193322858	386545784	/nfs/dbraw/zinc/54/57/84/386545784.db2.gz	DJUWEZDXQLHWEY-NSHDSACASA-N	0	1	226.320	0.919	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H](N)CC(=O)OC)CC1	ZINC000519825245	386562218	/nfs/dbraw/zinc/56/22/18/386562218.db2.gz	AFACTNNMKVFCND-VIFPVBQESA-N	0	1	226.276	0.055	20	30		BCEDMN
N#C[C@H]1CC[C@H](N2CCn3c(n[nH]c3=O)C2)C1	ZINC000328846740	386632205	/nfs/dbraw/zinc/63/22/05/386632205.db2.gz	QPKXURKMJFTAHC-IUCAKERBSA-N	0	1	233.275	0.492	20	30		BCEDMN
N#CC1(CN2CCOC[C@H]2c2nnc[nH]2)CC1	ZINC000328902671	386638271	/nfs/dbraw/zinc/63/82/71/386638271.db2.gz	GWUYWSKTWUSGKX-VIFPVBQESA-N	0	1	233.275	0.482	20	30		BCEDMN
O=C(NCc1noc(C2CC2)n1)c1cnn[nH]1	ZINC000328895170	386643779	/nfs/dbraw/zinc/64/37/79/386643779.db2.gz	BEXJUQWOABCFLJ-UHFFFAOYSA-N	0	1	234.219	0.570	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@H]1CCCOC1	ZINC000328659597	386605266	/nfs/dbraw/zinc/60/52/66/386605266.db2.gz	TVJQHAKGFGNYNE-LLVKDONJSA-N	0	1	241.335	0.622	20	30		BCEDMN
Cn1nncc1C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000328674300	386606376	/nfs/dbraw/zinc/60/63/76/386606376.db2.gz	PXMPHKMZLVSYPR-QMMMGPOBSA-N	0	1	235.291	0.356	20	30		BCEDMN
O=C(CNC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000328777641	386618086	/nfs/dbraw/zinc/61/80/86/386618086.db2.gz	LORISNSQGLEUDN-MRVPVSSYSA-N	0	1	248.286	0.845	20	30		BCEDMN
O=C(CNC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000328777641	386618092	/nfs/dbraw/zinc/61/80/92/386618092.db2.gz	LORISNSQGLEUDN-MRVPVSSYSA-N	0	1	248.286	0.845	20	30		BCEDMN
C=CCOCCN(C)[C@@H]1CCN(CC=C)C1=O	ZINC000294010997	386674620	/nfs/dbraw/zinc/67/46/20/386674620.db2.gz	GRZPCXWZTUIYHU-GFCCVEGCSA-N	0	1	238.331	0.908	20	30		BCEDMN
Cn1cc(CNCC(=O)NC2CC2)cc1C#N	ZINC000232314085	386678984	/nfs/dbraw/zinc/67/89/84/386678984.db2.gz	BYUQJSIXNFRSTK-UHFFFAOYSA-N	0	1	232.287	0.265	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CCNC[C@H]1C	ZINC000124635950	386658718	/nfs/dbraw/zinc/65/87/18/386658718.db2.gz	ODYNZMFINWBVSP-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
CC[C@H](C)NC([O-])=[NH+]CCn1cncn1	ZINC000330418285	386710605	/nfs/dbraw/zinc/71/06/05/386710605.db2.gz	FFZOHUXOQQCRKT-QMMMGPOBSA-N	0	1	211.269	0.580	20	30		BCEDMN
CC[C@H](C)NC(=O)NCCn1cncn1	ZINC000330418285	386710610	/nfs/dbraw/zinc/71/06/10/386710610.db2.gz	FFZOHUXOQQCRKT-QMMMGPOBSA-N	0	1	211.269	0.580	20	30		BCEDMN
C#CCOc1ccc(CNC(=O)CN(C)C)cc1	ZINC000296919493	533185626	/nfs/dbraw/zinc/18/56/26/533185626.db2.gz	IAWYZFADLLDYKP-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000330468737	386724245	/nfs/dbraw/zinc/72/42/45/386724245.db2.gz	YYNGEPFJJZUOLD-DTWKUNHWSA-N	0	1	247.302	0.718	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000330468737	386724249	/nfs/dbraw/zinc/72/42/49/386724249.db2.gz	YYNGEPFJJZUOLD-DTWKUNHWSA-N	0	1	247.302	0.718	20	30		BCEDMN
C[C@H](CN1CCOCC1)C(=O)N(C)CCC#N	ZINC000330566860	386789525	/nfs/dbraw/zinc/78/95/25/386789525.db2.gz	LCYZENKHQNXAFT-LLVKDONJSA-N	0	1	239.319	0.327	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1	ZINC000395364303	386823143	/nfs/dbraw/zinc/82/31/43/386823143.db2.gz	MQQJCUDYNBTNKC-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
CN(CC(=O)NCC#N)C1Cc2ccccc2C1	ZINC000330644665	386811276	/nfs/dbraw/zinc/81/12/76/386811276.db2.gz	DULFOLAGOIDDSP-UHFFFAOYSA-N	0	1	243.310	0.725	20	30		BCEDMN
N#CCCCCN1CCC[C@H](S(N)(=O)=O)C1	ZINC000330656735	386814801	/nfs/dbraw/zinc/81/48/01/386814801.db2.gz	QUDFGDYZJHBSPU-JTQLQIEISA-N	0	1	245.348	0.433	20	30		BCEDMN
COC(=O)CCN1CCN(CCC#N)[C@H](C)C1	ZINC000330696936	386834711	/nfs/dbraw/zinc/83/47/11/386834711.db2.gz	DWFLSQPTOCXPDN-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
Cc1ncncc1C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000330722699	386867014	/nfs/dbraw/zinc/86/70/14/386867014.db2.gz	COBLSIWYCPSEMM-ZETCQYMHSA-N	0	1	232.247	0.969	20	30		BCEDMN
C=C(C)CN1CCN(C(=O)CN(C)C)CC1	ZINC000051761826	386870200	/nfs/dbraw/zinc/87/02/00/386870200.db2.gz	AJTWOMMKFDCNPW-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@@H](CO)C1	ZINC000051886737	386871006	/nfs/dbraw/zinc/87/10/06/386871006.db2.gz	IAMCIHPDGVVRQX-GFCCVEGCSA-N	0	1	238.331	0.501	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)C[C@@H](C)O	ZINC000051821439	386871129	/nfs/dbraw/zinc/87/11/29/386871129.db2.gz	UKCBIORPZPVQEQ-LLVKDONJSA-N	0	1	226.320	0.500	20	30		BCEDMN
[O-]C(=[NH+]CCn1cccn1)N1CC[C@@H](CO)C1	ZINC000330807538	386895085	/nfs/dbraw/zinc/89/50/85/386895085.db2.gz	ICTXCJSHJAHRRH-SNVBAGLBSA-N	0	1	238.291	0.111	20	30		BCEDMN
COCCN(C)C([O-])=[NH+]CCn1cccn1	ZINC000330816964	386897572	/nfs/dbraw/zinc/89/75/72/386897572.db2.gz	NYBGLCZOKXGSFR-UHFFFAOYSA-N	0	1	226.280	0.375	20	30		BCEDMN
C=CCOCC[N@@H+]1CCCN(C(N)=O)CC1	ZINC000331890534	386922275	/nfs/dbraw/zinc/92/22/75/386922275.db2.gz	PKPZDTJITSZSHD-UHFFFAOYSA-N	0	1	227.308	0.275	20	30		BCEDMN
C=CCOCCN1CCCN(C(N)=O)CC1	ZINC000331890534	386922279	/nfs/dbraw/zinc/92/22/79/386922279.db2.gz	PKPZDTJITSZSHD-UHFFFAOYSA-N	0	1	227.308	0.275	20	30		BCEDMN
CC#CCCNCc1ccnc(OC)n1	ZINC000395146001	386945513	/nfs/dbraw/zinc/94/55/13/386945513.db2.gz	BIKFRUQTWNLOQZ-UHFFFAOYSA-N	0	1	205.261	0.988	20	30		BCEDMN
CC(C)(C#N)CCCCn1nnnc1CN	ZINC000572032372	387224187	/nfs/dbraw/zinc/22/41/87/387224187.db2.gz	LCJCNUMNUKJMGN-UHFFFAOYSA-N	0	1	222.296	0.852	20	30		BCEDMN
C#CCCN[C@@H](C(N)=O)c1ccc(F)cc1	ZINC000264999390	387300188	/nfs/dbraw/zinc/30/01/88/387300188.db2.gz	ZFGGMONREQWTRU-LLVKDONJSA-N	0	1	220.247	0.965	20	30		BCEDMN
N#Cc1ccccc1CN1[C@H](CO)CC[C@H]1CO	ZINC000347320904	387330416	/nfs/dbraw/zinc/33/04/16/387330416.db2.gz	UHZDHTYZMXSBFB-KBPBESRZSA-N	0	1	246.310	0.876	20	30		BCEDMN
CC[C@H](CC#N)NCCC(=O)NC(=O)NC	ZINC000515497247	387389947	/nfs/dbraw/zinc/38/99/47/387389947.db2.gz	VOUFGRCDRMGCIT-MRVPVSSYSA-N	0	1	226.280	0.114	20	30		BCEDMN
C=CCCC(=O)NCCc1nc(C)n[nH]1	ZINC000266993120	387405893	/nfs/dbraw/zinc/40/58/93/387405893.db2.gz	YMFIDKUCFAHQSN-UHFFFAOYSA-N	0	1	208.265	0.738	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N[C@@H](C#N)C2CC2)C1	ZINC000515667562	387415595	/nfs/dbraw/zinc/41/55/95/387415595.db2.gz	NEEYQCMAWALSGT-ONGXEEELSA-N	0	1	221.304	0.747	20	30		BCEDMN
Cc1cc(C#N)nc(N2CCN(C)C[C@H]2C)n1	ZINC000300548657	387619258	/nfs/dbraw/zinc/61/92/58/387619258.db2.gz	NPMUGYSQOJYNSF-SNVBAGLBSA-N	0	1	231.303	0.797	20	30		BCEDMN
C=CCOc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1	ZINC000278392061	387552374	/nfs/dbraw/zinc/55/23/74/387552374.db2.gz	MWKGZOZEONFCNH-ZIAGYGMSSA-N	0	1	249.310	0.789	20	30		BCEDMN
Cc1csc(CNCCn2cnc(C#N)n2)n1	ZINC000353048217	387555889	/nfs/dbraw/zinc/55/58/89/387555889.db2.gz	PJTOLHRLKGXCFL-UHFFFAOYSA-N	0	1	248.315	0.705	20	30		BCEDMN
C#CCn1ccc(CN(CC)C(=O)CN(C)C)n1	ZINC000279209561	387563311	/nfs/dbraw/zinc/56/33/11/387563311.db2.gz	WLPITGJROLMLLV-UHFFFAOYSA-N	0	1	248.330	0.426	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@]2(CCOC2)C1	ZINC000451896812	387672919	/nfs/dbraw/zinc/67/29/19/387672919.db2.gz	CEUBIRFOAGDVSK-CYBMUJFWSA-N	0	1	238.331	0.791	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N(C)CCCO	ZINC000440942158	387713091	/nfs/dbraw/zinc/71/30/91/387713091.db2.gz	TXAGTMMHEQWASI-JTQLQIEISA-N	0	1	227.308	0.061	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CN(C)CCCO	ZINC000440948312	387717849	/nfs/dbraw/zinc/71/78/49/387717849.db2.gz	LTQOIYAFDFMJFG-NSHDSACASA-N	0	1	241.335	0.309	20	30		BCEDMN
CN(CC#N)C(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000432543236	387799202	/nfs/dbraw/zinc/79/92/02/387799202.db2.gz	ZHZPYCQHXFHHIX-UHFFFAOYSA-N	0	1	235.199	0.896	20	30		BCEDMN
C=CCn1cc(CNCC2(C)COC2)nn1	ZINC000424170993	387861038	/nfs/dbraw/zinc/86/10/38/387861038.db2.gz	KYVULSWNCQPFPD-UHFFFAOYSA-N	0	1	222.292	0.590	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2COCCN2)C1	ZINC000424218370	387935103	/nfs/dbraw/zinc/93/51/03/387935103.db2.gz	SSTUPTQDNYJJDR-AXFHLTTASA-N	0	1	237.303	0.173	20	30		BCEDMN
C=C(C)CCN(C)[C@H](COC)C(N)=O	ZINC000339356705	135071241	/nfs/dbraw/zinc/07/12/41/135071241.db2.gz	JEOLVAKKNUUINA-SECBINFHSA-N	0	1	200.282	0.385	20	30		BCEDMN
CSCCCN(C)CC(=O)NCC#N	ZINC000439479156	388002151	/nfs/dbraw/zinc/00/21/51/388002151.db2.gz	SIWOSORJBUCIRV-UHFFFAOYSA-N	0	1	215.322	0.311	20	30		BCEDMN
CC#CCN1C[C@@H](CO)C[C@H](OCCOC)C1	ZINC000447391562	388068570	/nfs/dbraw/zinc/06/85/70/388068570.db2.gz	KANATPHFAQUKBK-STQMWFEESA-N	0	1	241.331	0.356	20	30		BCEDMN
CN(CCCC#N)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000336657451	388068885	/nfs/dbraw/zinc/06/88/85/388068885.db2.gz	LXRHVENDWSOMJM-SNVBAGLBSA-N	0	1	245.348	0.256	20	30		BCEDMN
CC#CCN1C[C@H](CO)C[C@@H](OCCOC)C1	ZINC000447391558	388068944	/nfs/dbraw/zinc/06/89/44/388068944.db2.gz	KANATPHFAQUKBK-CHWSQXEVSA-N	0	1	241.331	0.356	20	30		BCEDMN
CC[C@H](CC#N)N[C@@H](C)COCC(=O)OC	ZINC000449243102	388162044	/nfs/dbraw/zinc/16/20/44/388162044.db2.gz	IFUHNXAGLHXGRF-VHSXEESVSA-N	0	1	228.292	0.846	20	30		BCEDMN
C=CCC[C@H](NC(=O)CN(C)C)C(=O)OCC	ZINC000456637143	388211422	/nfs/dbraw/zinc/21/14/22/388211422.db2.gz	YWEXFZPZPYYTCF-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCCCS(=O)(=O)N(C)CCN(C)C	ZINC000489548429	388220423	/nfs/dbraw/zinc/22/04/23/388220423.db2.gz	FMSMIUBNWKIJTK-UHFFFAOYSA-N	0	1	234.365	0.776	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000491439479	388294898	/nfs/dbraw/zinc/29/48/98/388294898.db2.gz	JYDREVMHWNYCSL-ZCFIWIBFSA-N	0	1	236.231	0.720	20	30		BCEDMN
C#CCNC(=O)c1conc1C(C)(C)N	ZINC000491452858	388295592	/nfs/dbraw/zinc/29/55/92/388295592.db2.gz	NUDBLANPFAZCES-UHFFFAOYSA-N	0	1	207.233	0.231	20	30		BCEDMN
C#CC(C)(C)NC(=O)[C@H](C)N1CC(C)C1	ZINC000491452801	388295866	/nfs/dbraw/zinc/29/58/66/388295866.db2.gz	NIJJLMSORLRNAO-JTQLQIEISA-N	0	1	208.305	0.855	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccccc1F	ZINC000491473577	388297439	/nfs/dbraw/zinc/29/74/39/388297439.db2.gz	FPLXSSGPLYUTEH-SKDRFNHKSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)COc1cccc(C)c1	ZINC000491484989	388298121	/nfs/dbraw/zinc/29/81/21/388298121.db2.gz	MERLHMTWAHMBDY-QWHCGFSZSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCNC(=O)CN1CCN(CCCC)CC1	ZINC000491536542	388302237	/nfs/dbraw/zinc/30/22/37/388302237.db2.gz	KMJJOTJYHKBABA-UHFFFAOYSA-N	0	1	237.347	0.154	20	30		BCEDMN
C#CCN(CC#CC)C[C@H]1CCNC(=O)CC1	ZINC000491555559	388303615	/nfs/dbraw/zinc/30/36/15/388303615.db2.gz	RQMKQAGRUGXZBT-CYBMUJFWSA-N	0	1	232.327	0.861	20	30		BCEDMN
C#CC(C)(C)N(C)[C@@H](C)C(=O)NC(=O)NCC	ZINC000491627797	388306182	/nfs/dbraw/zinc/30/61/82/388306182.db2.gz	NTWQJNLZKJVSSD-VIFPVBQESA-N	0	1	239.319	0.564	20	30		BCEDMN
C#CCN(CC)C[C@@H](O)C[N@@H+](C)C1CC1	ZINC000491693824	388311528	/nfs/dbraw/zinc/31/15/28/388311528.db2.gz	LICRITZCKIRCEM-LBPRGKRZSA-N	0	1	210.321	0.397	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(F)cc1F	ZINC000491724871	388314893	/nfs/dbraw/zinc/31/48/93/388314893.db2.gz	HFFZWQSYANEGNZ-CABZTGNLSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#C[C@H](C)N(C)CCNC(=O)NC(C)C	ZINC000491731549	388316006	/nfs/dbraw/zinc/31/60/06/388316006.db2.gz	IQNPUGNXZIQUPT-JTQLQIEISA-N	0	1	211.309	0.648	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CCC(C)=C(C)C2)C1=O	ZINC000491739244	388316803	/nfs/dbraw/zinc/31/68/03/388316803.db2.gz	XJRJDFWHCDITLW-LBPRGKRZSA-N	0	1	246.310	0.789	20	30		BCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCN(CC)CC	ZINC000491742703	388317125	/nfs/dbraw/zinc/31/71/25/388317125.db2.gz	QPDJKUYQLLEENI-NSHDSACASA-N	0	1	246.376	0.612	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CN(CC)C1CC1	ZINC000491748048	388317238	/nfs/dbraw/zinc/31/72/38/388317238.db2.gz	OBSCPDGTAKVHCL-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCc1n[nH]c(CC)n1	ZINC000491777382	388319923	/nfs/dbraw/zinc/31/99/23/388319923.db2.gz	XDJXSJYNBQMKBD-MRVPVSSYSA-N	0	1	235.291	0.578	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCc1n[nH]c(CC)n1	ZINC000491777384	388320192	/nfs/dbraw/zinc/32/01/92/388320192.db2.gz	XDJXSJYNBQMKBD-QMMMGPOBSA-N	0	1	235.291	0.578	20	30		BCEDMN
C#CCN(CC#CC)CC[C@@H]1CCNC1=O	ZINC000491785519	388321025	/nfs/dbraw/zinc/32/10/25/388321025.db2.gz	RMJXEVHXCBVAPO-LBPRGKRZSA-N	0	1	218.300	0.471	20	30		BCEDMN
C#CCNC(=O)[C@H](C)NC(C)(C)c1cnn(C)c1	ZINC000491024004	388265691	/nfs/dbraw/zinc/26/56/91/388265691.db2.gz	ZXHYQYBILFGYKG-JTQLQIEISA-N	0	1	248.330	0.383	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000491071118	388267703	/nfs/dbraw/zinc/26/77/03/388267703.db2.gz	IHXFJYORWATPDU-TUAOUCFPSA-N	0	1	237.347	0.149	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(C)(OC)CC1	ZINC000491128030	388271629	/nfs/dbraw/zinc/27/16/29/388271629.db2.gz	YTABKDGADRFJNE-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)CCN1CCc2ncsc2C1	ZINC000491202104	388277395	/nfs/dbraw/zinc/27/73/95/388277395.db2.gz	LVZDTCBKNVMIKM-UHFFFAOYSA-N	0	1	249.339	0.641	20	30		BCEDMN
COC[C@H](CCO)NCc1ccc(C#N)o1	ZINC000164634736	388394707	/nfs/dbraw/zinc/39/47/07/388394707.db2.gz	OJFPQOYKOBYZRC-VIFPVBQESA-N	0	1	224.260	0.638	20	30		BCEDMN
C[C@H](C[S@@](C)=O)N(C)CCOCCC#N	ZINC000339083424	388476980	/nfs/dbraw/zinc/47/69/80/388476980.db2.gz	JEOQIVCQAXGAPA-MEBBXXQBSA-N	0	1	232.349	0.615	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2cc(C#N)cnn2)CCN1C	ZINC000596181726	388407889	/nfs/dbraw/zinc/40/78/89/388407889.db2.gz	DYBJNNPDOIPZEJ-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCN1CCC(N2CN=NC2=O)CC1	ZINC000517008793	256810907	/nfs/dbraw/zinc/81/09/07/256810907.db2.gz	XFBOSBIVYSFKSR-UHFFFAOYSA-N	0	1	208.265	0.807	20	30		BCEDMN
CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)CCN1	ZINC000177938399	388523878	/nfs/dbraw/zinc/52/38/78/388523878.db2.gz	BAEXKNBQAPWTAJ-UHFFFAOYSA-N	0	1	232.287	0.710	20	30		BCEDMN
CN(C)CCNS(=O)(=O)CCCCC#N	ZINC000136441837	388534871	/nfs/dbraw/zinc/53/48/71/388534871.db2.gz	GZKVHUAKEKTYPJ-UHFFFAOYSA-N	0	1	233.337	0.161	20	30		BCEDMN
C=C[C@H](O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000530026457	388606015	/nfs/dbraw/zinc/60/60/15/388606015.db2.gz	IPABDHBMYLDWDZ-RYUDHWBXSA-N	0	1	238.331	0.666	20	30		BCEDMN
CN(C)C(=O)CN(C)CCCSCC#N	ZINC000080626791	388560319	/nfs/dbraw/zinc/56/03/19/388560319.db2.gz	RQRPNHLVTLEATP-UHFFFAOYSA-N	0	1	229.349	0.653	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1cccc(C#N)n1	ZINC000598162106	388561436	/nfs/dbraw/zinc/56/14/36/388561436.db2.gz	UUOCUCHCSXRKKM-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
CC(C)SCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000515844285	388651625	/nfs/dbraw/zinc/65/16/25/388651625.db2.gz	XUHIYOMGRDWKOQ-UHFFFAOYSA-N	0	1	239.300	0.550	20	30		BCEDMN
C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000517395656	388660828	/nfs/dbraw/zinc/66/08/28/388660828.db2.gz	LZEXNSOBGABQGS-ZETCQYMHSA-N	0	1	243.288	0.024	20	30		BCEDMN
N#Cc1ccc(CN[C@H](CO)[C@H]2CCCO2)o1	ZINC000447971718	388740261	/nfs/dbraw/zinc/74/02/61/388740261.db2.gz	MFLQUVJCPLATTA-VXGBXAGGSA-N	0	1	236.271	0.781	20	30		BCEDMN
CCN1CCN(c2cc(C#N)ncn2)CC1	ZINC000259062899	388719888	/nfs/dbraw/zinc/71/98/88/388719888.db2.gz	WTIJTNZCWVUZKH-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
Cn1cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1C#N	ZINC000280314614	388781731	/nfs/dbraw/zinc/78/17/31/388781731.db2.gz	PWQVKWGIYFDRQH-CYBMUJFWSA-N	0	1	246.314	0.594	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000649182245	388895694	/nfs/dbraw/zinc/89/56/94/388895694.db2.gz	RHEXSWLAEINKDW-JTQLQIEISA-N	0	1	249.314	0.578	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000565103538	388915051	/nfs/dbraw/zinc/91/50/51/388915051.db2.gz	GGMZNZFYRGXVMK-AXFHLTTASA-N	0	1	243.303	0.487	20	30		BCEDMN
CC(C)OCC[C@H](O)CNC[C@@H](C)C#N	ZINC000566116990	388989008	/nfs/dbraw/zinc/98/90/08/388989008.db2.gz	OJCMUZBRXFQRDK-QWRGUYRKSA-N	0	1	214.309	0.912	20	30		BCEDMN
C#Cc1ccc(CNCC(=O)NC)cc1	ZINC000289060741	533342505	/nfs/dbraw/zinc/34/25/05/533342505.db2.gz	BVYGKZOLNFCYHU-UHFFFAOYSA-N	0	1	202.257	0.504	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCCN(C)CC	ZINC000184406282	533523964	/nfs/dbraw/zinc/52/39/64/533523964.db2.gz	ODGBYKYTGIJNGL-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NCCOCC	ZINC000181333824	533494409	/nfs/dbraw/zinc/49/44/09/533494409.db2.gz	SERHFOXQTMANPR-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
C[C@H](O)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000275016892	132204493	/nfs/dbraw/zinc/20/44/93/132204493.db2.gz	KXPPDUDJUVLQME-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
COCCN1CCN(c2ccnc(C#N)c2)CC1	ZINC000283471012	132212556	/nfs/dbraw/zinc/21/25/56/132212556.db2.gz	GEIXKANOCDZEIS-UHFFFAOYSA-N	0	1	246.314	0.722	20	30		BCEDMN
C[C@@H](O)CN1CCN(c2ccnc(C#N)c2)CC1	ZINC000286626542	132215185	/nfs/dbraw/zinc/21/51/85/132215185.db2.gz	KBLQPRRSDDYXDD-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000281420890	133557653	/nfs/dbraw/zinc/55/76/53/133557653.db2.gz	BSRFFMPKKCEDKJ-SNVBAGLBSA-N	0	1	242.282	0.815	20	30		BCEDMN
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1	ZINC000351959322	134018321	/nfs/dbraw/zinc/01/83/21/134018321.db2.gz	OOVNKZKMVOUICJ-MNOVXSKESA-N	0	1	239.319	0.061	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@@H](O)C1	ZINC000351959322	134018322	/nfs/dbraw/zinc/01/83/22/134018322.db2.gz	OOVNKZKMVOUICJ-MNOVXSKESA-N	0	1	239.319	0.061	20	30		BCEDMN
CN(CC#N)C(=O)[C@H]1CCCN1C1CC1	ZINC000336107478	134082845	/nfs/dbraw/zinc/08/28/45/134082845.db2.gz	UVVDJAKCMGAFPH-SNVBAGLBSA-N	0	1	207.277	0.595	20	30		BCEDMN
C=CCN(C)S(=O)(=O)CCN(CC)CC	ZINC000352199980	134100162	/nfs/dbraw/zinc/10/01/62/134100162.db2.gz	GRWDPTIBLAZSAE-UHFFFAOYSA-N	0	1	234.365	0.776	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)NCc1cnc[nH]1	ZINC000336149643	134103516	/nfs/dbraw/zinc/10/35/16/134103516.db2.gz	WXWIRPPGNWZASU-UHFFFAOYSA-N	0	1	229.243	0.550	20	30		BCEDMN
C=CCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000336329301	134143850	/nfs/dbraw/zinc/14/38/50/134143850.db2.gz	LOUQYCIEWYFODT-VHSXEESVSA-N	0	1	215.318	0.681	20	30		BCEDMN
C=CCNC(=O)CN(C)CC1(O)CCC1	ZINC000353494149	134163910	/nfs/dbraw/zinc/16/39/10/134163910.db2.gz	YFRNOGAAZCTUDJ-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
N#CCCCN1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000355108903	134171894	/nfs/dbraw/zinc/17/18/94/134171894.db2.gz	TXEOSDPQAILUFB-LLVKDONJSA-N	0	1	236.319	0.826	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C	ZINC000355508276	134173512	/nfs/dbraw/zinc/17/35/12/134173512.db2.gz	KQKCZGRWCWTWID-MDZLAQPJSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1cccc2nc[nH]c21	ZINC000356851148	134180361	/nfs/dbraw/zinc/18/03/61/134180361.db2.gz	CSWRCIBVISTGDZ-MRVPVSSYSA-N	0	1	231.255	0.840	20	30		BCEDMN
CC#CCCCC(=O)NC1(c2nn[nH]n2)CC1	ZINC000357051234	134181954	/nfs/dbraw/zinc/18/19/54/134181954.db2.gz	PFCGBHQWFOSRET-UHFFFAOYSA-N	0	1	233.275	0.499	20	30		BCEDMN
C=CCN1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000358184566	134187152	/nfs/dbraw/zinc/18/71/52/134187152.db2.gz	OSBMMQZLVICOLB-SECBINFHSA-N	0	1	218.322	0.173	20	30		BCEDMN
CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000358210814	134187213	/nfs/dbraw/zinc/18/72/13/134187213.db2.gz	POFOVIUPXMVSEK-WDEREUQCSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCN(CCOC)C(=O)c1cnc(C)[nH]1	ZINC000361092160	134203174	/nfs/dbraw/zinc/20/31/74/134203174.db2.gz	ZHMILDMXMWXGCE-UHFFFAOYSA-N	0	1	223.276	0.993	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](OC)C1	ZINC000361367120	134204675	/nfs/dbraw/zinc/20/46/75/134204675.db2.gz	DPTWQLXBVTXHNM-VHSXEESVSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCN1CCC[C@H]1Cn1nc(C)nc1C	ZINC000368688321	134220415	/nfs/dbraw/zinc/22/04/15/134220415.db2.gz	ILMZZGLBRSAXLD-LBPRGKRZSA-N	0	1	218.304	0.993	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000376878296	134243545	/nfs/dbraw/zinc/24/35/45/134243545.db2.gz	TUXJXNXOQSWYKF-BDAKNGLRSA-N	0	1	233.275	0.670	20	30		BCEDMN
C=CCSCCNC(=O)CCc1nc[nH]n1	ZINC000177182311	134296206	/nfs/dbraw/zinc/29/62/06/134296206.db2.gz	FUNKHBJXAGNLOY-UHFFFAOYSA-N	0	1	240.332	0.773	20	30		BCEDMN
N#CCNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000177521030	134298442	/nfs/dbraw/zinc/29/84/42/134298442.db2.gz	SOBDAKWRJXMAIN-PHIMTYICSA-N	0	1	221.304	0.748	20	30		BCEDMN
CCc1nc(NC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000182460808	134342077	/nfs/dbraw/zinc/34/20/77/134342077.db2.gz	IOGAGHQSGSEYHK-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2c[nH]c(C#N)c2)n1	ZINC000182460808	134342078	/nfs/dbraw/zinc/34/20/78/134342078.db2.gz	IOGAGHQSGSEYHK-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@@H]2CCCO2)C1=O	ZINC000337137962	135001223	/nfs/dbraw/zinc/00/12/23/135001223.db2.gz	OOKAILVYWJKHDU-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@@H]2CCCOC2)C1=O	ZINC000337236690	135009188	/nfs/dbraw/zinc/00/91/88/135009188.db2.gz	YDIBUOPGLCDGMF-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C[C@H](C#N)N1CC[C@@H](CN2CCOCC2)C1	ZINC000248461359	135012551	/nfs/dbraw/zinc/01/25/51/135012551.db2.gz	OZJABWVCTPVRJK-NEPJUHHUSA-N	0	1	223.320	0.553	20	30		BCEDMN
CN(CC#N)C(=O)c1ccc2[nH]nnc2c1	ZINC000337534012	135019047	/nfs/dbraw/zinc/01/90/47/135019047.db2.gz	GQFNOUALWSCIDK-UHFFFAOYSA-N	0	1	215.216	0.553	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCOC[C@@H](C)C1	ZINC000338256890	135030294	/nfs/dbraw/zinc/03/02/94/135030294.db2.gz	WKDUQMJJRKDKOT-WDEREUQCSA-N	0	1	226.320	0.645	20	30		BCEDMN
CCC(CC)(NC(=O)C(C)C#N)C(=O)OC	ZINC000338298347	135033958	/nfs/dbraw/zinc/03/39/58/135033958.db2.gz	CGFQYUGKGPZQTG-MRVPVSSYSA-N	0	1	226.276	0.994	20	30		BCEDMN
N#CCSCCCN1C[C@@H]2COC[C@H](C1)O2	ZINC000338365601	135035104	/nfs/dbraw/zinc/03/51/04/135035104.db2.gz	IODWOJUATQMQSN-PHIMTYICSA-N	0	1	242.344	0.733	20	30		BCEDMN
C=CCC[C@@H](O)CN1CC[C@@](F)(CO)C1	ZINC000338586968	135042155	/nfs/dbraw/zinc/04/21/55/135042155.db2.gz	KSQWGVJNFNMBAP-MNOVXSKESA-N	0	1	217.284	0.720	20	30		BCEDMN
C[C@@H](O)CN(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000249723869	135043607	/nfs/dbraw/zinc/04/36/07/135043607.db2.gz	FQODPPWTGPGJIR-BXKDBHETSA-N	0	1	239.319	0.107	20	30		BCEDMN
C=CCOCCN(C)[C@@H]1CCN(C)C1=O	ZINC000339002216	135051137	/nfs/dbraw/zinc/05/11/37/135051137.db2.gz	ZBMVFVYFLYWAPE-SNVBAGLBSA-N	0	1	212.293	0.352	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000339043440	135054046	/nfs/dbraw/zinc/05/40/46/135054046.db2.gz	OCRHXISNMKQPBW-SNVBAGLBSA-N	0	1	244.360	0.719	20	30		BCEDMN
C=CCOCCN1CCO[C@]2(CCOC2)C1	ZINC000339098156	135059812	/nfs/dbraw/zinc/05/98/12/135059812.db2.gz	ZPDDXRZNDHXXSG-GFCCVEGCSA-N	0	1	227.304	0.680	20	30		BCEDMN
C=CCOCCN1CC[C@H](C)C[C@H]1C(N)=O	ZINC000339100384	135060334	/nfs/dbraw/zinc/06/03/34/135060334.db2.gz	YHSPJABJYYXTMB-QWRGUYRKSA-N	0	1	226.320	0.775	20	30		BCEDMN
CO/N=C/c1ccc(C(=O)N2CCNCC2)cc1	ZINC000237109048	135069392	/nfs/dbraw/zinc/06/93/92/135069392.db2.gz	KXGRKRFLXUMLKC-XNTDXEJSSA-N	0	1	247.298	0.712	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N(C)C[C@H]1CCCN1C	ZINC000252571564	135092475	/nfs/dbraw/zinc/09/24/75/135092475.db2.gz	BLNNBIBUHFCIJW-NXEZZACHSA-N	0	1	245.348	0.254	20	30		BCEDMN
CC1CCN(CC(=O)N(CC#N)CC#N)CC1	ZINC000268507635	135159917	/nfs/dbraw/zinc/15/99/17/135159917.db2.gz	BOOWLVKFRRLZNY-UHFFFAOYSA-N	0	1	234.303	0.594	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)c1[nH]nc(C)c1C	ZINC000269595542	135166085	/nfs/dbraw/zinc/16/60/85/135166085.db2.gz	NTSWGAXKBNSZMV-LLVKDONJSA-N	0	1	236.275	0.685	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN[C@H](C)[C@@H]1C	ZINC000261548886	135187585	/nfs/dbraw/zinc/18/75/85/135187585.db2.gz	OAGSJIIZFZFDSA-ZJUUUORDSA-N	0	1	232.349	0.575	20	30		BCEDMN
COC(=O)[C@@H]1CCCN1C(=O)C(C)C#N	ZINC000044822752	135226422	/nfs/dbraw/zinc/22/64/22/135226422.db2.gz	UQDMEVQSJLOPAF-YUMQZZPRSA-N	0	1	210.233	0.310	20	30		BCEDMN
COC(=O)[C@H](CC(F)F)NC(=O)C(C)C#N	ZINC000342532666	135280452	/nfs/dbraw/zinc/28/04/52/135280452.db2.gz	YYZILTRSVRENQF-RITPCOANSA-N	0	1	234.202	0.459	20	30		BCEDMN
[NH2+]=C(NCc1ncccc1[O-])NCC1CCC1	ZINC000262501463	135302951	/nfs/dbraw/zinc/30/29/51/135302951.db2.gz	YNBZXUDADFYIOP-UHFFFAOYSA-N	0	1	234.303	0.992	20	30		BCEDMN
N#CCN(CC#N)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000342689489	135305730	/nfs/dbraw/zinc/30/57/30/135305730.db2.gz	RYEMGJZQSYOLDR-SECBINFHSA-N	0	1	243.270	0.705	20	30		BCEDMN
C[C@@H]1C[NH+]=C(NCc2ncccc2[O-])N1	ZINC000262686220	135313966	/nfs/dbraw/zinc/31/39/66/135313966.db2.gz	YMCNUXWNYWSXHV-SSDOTTSWSA-N	0	1	206.249	0.225	20	30		BCEDMN
N#CC1CCN([C@@H]2CCCCNC2=O)CC1	ZINC000079840993	135363346	/nfs/dbraw/zinc/36/33/46/135363346.db2.gz	ZRLQPOPUQSGKIA-LLVKDONJSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCNc1nc(NCC)nc(NCC)n1	ZINC000287085643	135372960	/nfs/dbraw/zinc/37/29/60/135372960.db2.gz	UMGINMRJFBCFSK-UHFFFAOYSA-N	0	1	220.280	0.780	20	30		BCEDMN
CN(Cc1nnc[nH]1)C(=O)c1ccc(C#N)cc1	ZINC000080522554	135378754	/nfs/dbraw/zinc/37/87/54/135378754.db2.gz	HYUHLPMNJQFCHW-UHFFFAOYSA-N	0	1	241.254	0.949	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)C2(C#N)CCCC2)n1	ZINC000330627658	135393621	/nfs/dbraw/zinc/39/36/21/135393621.db2.gz	XLIYNNMWSKPYOU-UHFFFAOYSA-N	0	1	247.302	0.856	20	30		BCEDMN
N#CCNC(=O)CN1CCC(CCCO)CC1	ZINC000330830519	135393730	/nfs/dbraw/zinc/39/37/30/135393730.db2.gz	XQQVIYPVZNMEFH-UHFFFAOYSA-N	0	1	239.319	0.111	20	30		BCEDMN
CC#CCN1CCN([C@H]2CCOC2)CC1	ZINC000367013119	136014876	/nfs/dbraw/zinc/01/48/76/136014876.db2.gz	JBYWMVYGTIMGPR-LBPRGKRZSA-N	0	1	208.305	0.416	20	30		BCEDMN
C=CCOCCCN1C[C@@H](C)O[C@@H](CO)C1	ZINC000348192811	136049557	/nfs/dbraw/zinc/04/95/57/136049557.db2.gz	JGCSWIQQCLJHRV-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
N#CCNC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21	ZINC000335399627	136093731	/nfs/dbraw/zinc/09/37/31/136093731.db2.gz	LFOMYPGLHAASKK-UWVGGRQHSA-N	0	1	207.277	0.501	20	30		BCEDMN
N#CCNC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21	ZINC000335399626	136093835	/nfs/dbraw/zinc/09/38/35/136093835.db2.gz	LFOMYPGLHAASKK-NXEZZACHSA-N	0	1	207.277	0.501	20	30		BCEDMN
CC[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000408021734	397815221	/nfs/dbraw/zinc/81/52/21/397815221.db2.gz	SBNWLNCJOYNGLF-JTQLQIEISA-N	0	1	209.293	0.748	20	30		BCEDMN
CC[C@@H]1CCCN(CC(=O)NCC#N)C1	ZINC000408021738	397815242	/nfs/dbraw/zinc/81/52/42/397815242.db2.gz	SBNWLNCJOYNGLF-SNVBAGLBSA-N	0	1	209.293	0.748	20	30		BCEDMN
C#CCNC(=O)CCNCc1nccn1CC	ZINC000491633798	398050357	/nfs/dbraw/zinc/05/03/57/398050357.db2.gz	RWIJNFRLFAMJNK-UHFFFAOYSA-N	0	1	234.303	0.132	20	30		BCEDMN
C#CCNC(=O)CCN[C@H]1C[C@@H](C)n2ccnc21	ZINC000491535141	398047522	/nfs/dbraw/zinc/04/75/22/398047522.db2.gz	AEERLZFVDJVECE-MNOVXSKESA-N	0	1	246.314	0.618	20	30		BCEDMN
C#CCNC(=O)CCN[C@H]1C[C@H](C)n2ccnc21	ZINC000491535142	398047604	/nfs/dbraw/zinc/04/76/04/398047604.db2.gz	AEERLZFVDJVECE-QWRGUYRKSA-N	0	1	246.314	0.618	20	30		BCEDMN
CC[C@H](C#N)C(=O)N(C)CC1CN(C)C1	ZINC000598158410	398027525	/nfs/dbraw/zinc/02/75/25/398027525.db2.gz	GZXJQKACMJRSBT-SNVBAGLBSA-N	0	1	209.293	0.556	20	30		BCEDMN
C[C@@H](CCC#N)N1CCn2c(n[nH]c2=O)C1	ZINC000564733238	398040325	/nfs/dbraw/zinc/04/03/25/398040325.db2.gz	WVGGMXWLVMMFES-QMMMGPOBSA-N	0	1	221.264	0.492	20	30		BCEDMN
C#CCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000185873478	398092296	/nfs/dbraw/zinc/09/22/96/398092296.db2.gz	FBZYFJVYLAIEFO-NSHDSACASA-N	0	1	236.702	0.959	20	30		BCEDMN
C#C[C@H](NC(=O)N1CCN[C@H](C)C1)C(C)C	ZINC000491667249	398056791	/nfs/dbraw/zinc/05/67/91/398056791.db2.gz	HYPSTIYXJNKNCL-MNOVXSKESA-N	0	1	223.320	0.648	20	30		BCEDMN
C[C@@H](Nc1cnc(C#N)cn1)c1nnc[nH]1	ZINC000128799434	398112022	/nfs/dbraw/zinc/11/20/22/398112022.db2.gz	PKJBIGZKHRHERA-ZCFIWIBFSA-N	0	1	215.220	0.639	20	30		BCEDMN
C=CCN(C1CC1)S(=O)(=O)c1ncc[nH]1	ZINC000309119123	398115219	/nfs/dbraw/zinc/11/52/19/398115219.db2.gz	MUKANMPVRYKGFT-UHFFFAOYSA-N	0	1	227.289	0.749	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C#N)nn1	ZINC000611256824	398125870	/nfs/dbraw/zinc/12/58/70/398125870.db2.gz	AONOIJOQLFEHBX-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)NCc1cc(C)[nH]n1	ZINC000680385815	487581735	/nfs/dbraw/zinc/58/17/35/487581735.db2.gz	BELJEVNICRBASF-SECBINFHSA-N	0	1	238.291	0.454	20	30		BCEDMN
C#CC(C)(C)NC(=O)CN(CC)C1CC1	ZINC000269652526	166111806	/nfs/dbraw/zinc/11/18/06/166111806.db2.gz	CIIDTWISAYTGTQ-UHFFFAOYSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCCN1CCN(c2cnn(C)c2)CC1	ZINC000270651390	166137282	/nfs/dbraw/zinc/13/72/82/166137282.db2.gz	UBBVTDNSBHJBIJ-UHFFFAOYSA-N	0	1	218.304	0.565	20	30		BCEDMN
C#CCN(CC#C)C(=O)Cc1ccn[nH]1	ZINC000173484456	166163015	/nfs/dbraw/zinc/16/30/15/166163015.db2.gz	GXJISJCHYILYDN-UHFFFAOYSA-N	0	1	201.229	0.047	20	30		BCEDMN
C#CCSCCNCc1ccn(C)n1	ZINC000164314019	166202918	/nfs/dbraw/zinc/20/29/18/166202918.db2.gz	MCWSNRUQKBZVIX-UHFFFAOYSA-N	0	1	209.318	0.876	20	30		BCEDMN
C#C[C@H](C)NCc1cnc(N(C)C)nc1	ZINC000289577779	166217430	/nfs/dbraw/zinc/21/74/30/166217430.db2.gz	SXTUISLNBOBIMH-VIFPVBQESA-N	0	1	204.277	0.654	20	30		BCEDMN
C=CCCCN1CCSC[C@H]1C(N)=O	ZINC000271503643	166235529	/nfs/dbraw/zinc/23/55/29/166235529.db2.gz	DKWYSVMWZRAWBH-VIFPVBQESA-N	0	1	214.334	0.855	20	30		BCEDMN
C=CCCCN1CCO[C@H](C(=O)NC)C1	ZINC000272840254	166234395	/nfs/dbraw/zinc/23/43/95/166234395.db2.gz	INUZRJJXTUQKOM-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCNC(=O)CCSc1nnc(C)[nH]1	ZINC000266687694	166363489	/nfs/dbraw/zinc/36/34/89/166363489.db2.gz	BCKNBASLZAOOCA-UHFFFAOYSA-N	0	1	226.305	0.898	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](O)C(C)(C)C1	ZINC000275507178	166368887	/nfs/dbraw/zinc/36/88/87/166368887.db2.gz	SBCCQMCBCFQQAN-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)CSc1nc(N)cc(N)n1	ZINC000003524859	166372349	/nfs/dbraw/zinc/37/23/49/166372349.db2.gz	RIZJJVMCVILTMN-UHFFFAOYSA-N	0	1	239.304	0.035	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C)C1	ZINC000016446164	166376458	/nfs/dbraw/zinc/37/64/58/166376458.db2.gz	OSKUJPRYXCMTDO-SNVBAGLBSA-N	0	1	239.319	0.730	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC(O)C1	ZINC000084453934	166381977	/nfs/dbraw/zinc/38/19/77/166381977.db2.gz	NSZVMRYADYYNCN-KPPDAEKUSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCCCCCNC(=O)[C@@H]1CNCCO1	ZINC000655488526	410791905	/nfs/dbraw/zinc/79/19/05/410791905.db2.gz	GLOJQRVSNJZEJX-NSHDSACASA-N	0	1	226.320	0.837	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CC1=CCCOC1	ZINC000661657753	411134420	/nfs/dbraw/zinc/13/44/20/411134420.db2.gz	VKVKLCAUPZFAMJ-LLVKDONJSA-N	0	1	238.331	0.956	20	30		BCEDMN
N#CC1(C(=O)NCc2nn[nH]n2)CCCCC1	ZINC000044933010	411142649	/nfs/dbraw/zinc/14/26/49/411142649.db2.gz	HPUNIDKHAVGZRI-UHFFFAOYSA-N	0	1	234.263	0.290	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000331124590	411163673	/nfs/dbraw/zinc/16/36/73/411163673.db2.gz	CROIWIOOSXCPRN-RKDXNWHRSA-N	0	1	235.287	0.493	20	30		BCEDMN
C=CCNC(=O)CN[C@@H]1CCCn2nccc21	ZINC000657954456	411180011	/nfs/dbraw/zinc/18/00/11/411180011.db2.gz	ZKJDLUMZSABGTO-SNVBAGLBSA-N	0	1	234.303	0.610	20	30		BCEDMN
C=CCN1CC[C@@H](N(C[C@@H](C)O)C2CC2)C1=O	ZINC000653902531	411217099	/nfs/dbraw/zinc/21/70/99/411217099.db2.gz	VQLGKBVMJHZHMP-ZYHUDNBSSA-N	0	1	238.331	0.619	20	30		BCEDMN
CCc1nc(CNc2ccc(C)c(C#N)n2)n[nH]1	ZINC000450551151	411167577	/nfs/dbraw/zinc/16/75/77/411167577.db2.gz	NAOMWRBPTXKWRX-UHFFFAOYSA-N	0	1	242.286	1.554	20	30		BCEDMN
C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O	ZINC000661723817	411291899	/nfs/dbraw/zinc/29/18/99/411291899.db2.gz	VJUDBEHVYHLYKH-GMXVVIOVSA-N	0	1	236.315	0.230	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@@]3(O)C[C@H]3C2)C1=O	ZINC000661723817	411291903	/nfs/dbraw/zinc/29/19/03/411291903.db2.gz	VJUDBEHVYHLYKH-GMXVVIOVSA-N	0	1	236.315	0.230	20	30		BCEDMN
C=CCCn1cc(CN2CCN(CC)CC2)nn1	ZINC000653488477	411378507	/nfs/dbraw/zinc/37/85/07/411378507.db2.gz	XVLQSECEHKOGGN-UHFFFAOYSA-N	0	1	249.362	0.992	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](C)CCO)nn1	ZINC000657381649	411488005	/nfs/dbraw/zinc/48/80/05/411488005.db2.gz	HDEPMOLZSYWTSO-LLVKDONJSA-N	0	1	238.335	0.962	20	30		BCEDMN
CC#CCN(C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000655132169	411501510	/nfs/dbraw/zinc/50/15/10/411501510.db2.gz	AZHHVIAWGYHCCV-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2n1CCC2	ZINC000657794817	411599585	/nfs/dbraw/zinc/59/95/85/411599585.db2.gz	XCCRTMSDPZVAFD-SECBINFHSA-N	0	1	207.277	0.466	20	30		BCEDMN
C=CC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000661380205	411763022	/nfs/dbraw/zinc/76/30/22/411763022.db2.gz	CBYTYLMOFJKNBK-JTQLQIEISA-N	0	1	236.319	0.897	20	30		BCEDMN
C=CC[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000661380205	411763025	/nfs/dbraw/zinc/76/30/25/411763025.db2.gz	CBYTYLMOFJKNBK-JTQLQIEISA-N	0	1	236.319	0.897	20	30		BCEDMN
CCc1nc(CNc2cc(C#N)cc(C)n2)n[nH]1	ZINC000392691476	411788180	/nfs/dbraw/zinc/78/81/80/411788180.db2.gz	SHLNFNFICBFPDM-UHFFFAOYSA-N	0	1	242.286	1.554	20	30		BCEDMN
C#C[C@@H](C)N(C)c1cc(-n2cccn2)nc(N)n1	ZINC000491617868	411849276	/nfs/dbraw/zinc/84/92/76/411849276.db2.gz	CZKSUHMXKBZPAD-SECBINFHSA-N	0	1	242.286	0.702	20	30		BCEDMN
CC#CCN1CCC(c2nc(N)n[nH]2)CC1	ZINC000647933066	411852299	/nfs/dbraw/zinc/85/22/99/411852299.db2.gz	ZZQVROICXJTMGL-UHFFFAOYSA-N	0	1	219.292	0.590	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@]2(O)C[C@H]2C1	ZINC000661714370	411856934	/nfs/dbraw/zinc/85/69/34/411856934.db2.gz	YMQBVHFBQCBHHO-JFGNBEQYSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)O	ZINC000661775351	411883832	/nfs/dbraw/zinc/88/38/32/411883832.db2.gz	YBPTZISKOCCTAO-VHSXEESVSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000662163433	412012994	/nfs/dbraw/zinc/01/29/94/412012994.db2.gz	AMKCPNQGGJZXIJ-SDDRHHMPSA-N	0	1	240.347	0.627	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCC[C@@H]1C	ZINC000662165935	412014881	/nfs/dbraw/zinc/01/48/81/412014881.db2.gz	QMCWCDSIWYWYDV-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NC(C)(C)CC	ZINC000662165619	412015093	/nfs/dbraw/zinc/01/50/93/412015093.db2.gz	LGXAQWWFYOZVDD-VHSXEESVSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCCC	ZINC000662165226	412015147	/nfs/dbraw/zinc/01/51/47/412015147.db2.gz	AREREDIPFSJTER-DTWKUNHWSA-N	0	1	200.282	0.038	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(CC)CC(=C)C	ZINC000662167991	412016827	/nfs/dbraw/zinc/01/68/27/412016827.db2.gz	XABICZTURAIGHH-LLVKDONJSA-N	0	1	226.320	0.548	20	30		BCEDMN
CC[C@H](C(=O)Nc1n[nH]c(C)c1C#N)N(C)C	ZINC000287748854	171234158	/nfs/dbraw/zinc/23/41/58/171234158.db2.gz	CSONNCVZLKFXOL-SECBINFHSA-N	0	1	235.291	0.869	20	30		BCEDMN
N#Cc1ccc(N[C@H]2CCc3[nH]cnc3C2)nn1	ZINC000589606187	412274914	/nfs/dbraw/zinc/27/49/14/412274914.db2.gz	KNPXDURKMWPIJE-QMMMGPOBSA-N	0	1	240.270	1.041	20	30		BCEDMN
Cc1cc(C[C@@H](C)Nc2cc(C#N)cnn2)[nH]n1	ZINC000596165775	412319591	/nfs/dbraw/zinc/31/95/91/412319591.db2.gz	NKYGOLRGFYFTLR-MRVPVSSYSA-N	0	1	242.286	1.423	20	30		BCEDMN
Cc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)nn1C	ZINC000329469288	412321400	/nfs/dbraw/zinc/32/14/00/412321400.db2.gz	XZDPIFXISSJQNL-ZETCQYMHSA-N	0	1	249.278	0.934	20	30		BCEDMN
C=CCN(C(=O)[C@H]1CNCCO1)[C@@H](C)COC	ZINC000662856145	412325472	/nfs/dbraw/zinc/32/54/72/412325472.db2.gz	ZVLFCKJRRQNLRP-WDEREUQCSA-N	0	1	242.319	0.024	20	30		BCEDMN
CN(C)C(=O)CCN[C@H]1CCC[C@H]1C#N	ZINC000054828043	172360055	/nfs/dbraw/zinc/36/00/55/172360055.db2.gz	BQHHYQLPYLKQRW-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CN1CCN(CCNc2cnccc2C#N)CC1	ZINC000135787189	173081888	/nfs/dbraw/zinc/08/18/88/173081888.db2.gz	RUOCSDGUZYHVBA-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CNC(=O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000037224857	173277705	/nfs/dbraw/zinc/27/77/05/173277705.db2.gz	RJYCAHWXFFHCCS-VIFPVBQESA-N	0	1	217.272	0.955	20	30		BCEDMN
CNC(=O)CN[C@H](C)c1cccc(C#N)c1	ZINC000037254152	173278486	/nfs/dbraw/zinc/27/84/86/173278486.db2.gz	MISKZCVAWQRCNB-SECBINFHSA-N	0	1	217.272	0.955	20	30		BCEDMN
CNC(=O)[C@@H](C)NCc1ccc(C#N)cc1	ZINC000037749162	173294977	/nfs/dbraw/zinc/29/49/77/173294977.db2.gz	VSXRCDGLOBFWSS-SECBINFHSA-N	0	1	217.272	0.782	20	30		BCEDMN
COCCOCCNCc1ccc(C#N)o1	ZINC000135483224	174357148	/nfs/dbraw/zinc/35/71/48/174357148.db2.gz	ONNBWGTWXUBEPO-UHFFFAOYSA-N	0	1	224.260	0.904	20	30		BCEDMN
COCCS(=O)(=O)Nc1ccc(C#N)cn1	ZINC000051953510	174373149	/nfs/dbraw/zinc/37/31/49/174373149.db2.gz	KSIFROIIBXDVMO-UHFFFAOYSA-N	0	1	241.272	0.341	20	30		BCEDMN
COc1ccc(CN[C@@H]2COC[C@H]2O)cc1C#N	ZINC000295406252	175110032	/nfs/dbraw/zinc/11/00/32/175110032.db2.gz	BRDXBYSZETXHEO-VXGBXAGGSA-N	0	1	248.282	0.416	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CCN1	ZINC000088059135	177226061	/nfs/dbraw/zinc/22/60/61/177226061.db2.gz	LAQASJHDPUNVJP-JTQLQIEISA-N	0	1	229.283	0.992	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@H]1CCCN(C)C1	ZINC000668329474	487652461	/nfs/dbraw/zinc/65/24/61/487652461.db2.gz	XNKOUWXPAQQFFC-ONGXEEELSA-N	0	1	212.293	0.134	20	30		BCEDMN
CN(C)C(=O)CNCc1ccc(C#N)c(F)c1	ZINC000404106404	229371901	/nfs/dbraw/zinc/37/19/01/229371901.db2.gz	HVPDDXRUYKSIRE-UHFFFAOYSA-N	0	1	235.262	0.875	20	30		BCEDMN
N#CC[C@]1(O)CCN(Cc2ccnc(N)c2)C1	ZINC000592151545	487719975	/nfs/dbraw/zinc/71/99/75/487719975.db2.gz	NGAHIPAROQAKPO-LBPRGKRZSA-N	0	1	232.287	0.514	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)CC(=O)NCC	ZINC000675488490	487739741	/nfs/dbraw/zinc/73/97/41/487739741.db2.gz	LZZRAHWPTMFMOB-SNVBAGLBSA-N	0	1	214.309	0.381	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NC(C)C)C1	ZINC000847026166	588304091	/nfs/dbraw/zinc/30/40/91/588304091.db2.gz	BSHXBCUKEWOTGS-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCN(C)CCn1cnc(Br)n1	ZINC000851978542	588651051	/nfs/dbraw/zinc/65/10/51/588651051.db2.gz	NRGRUJDFIPJOPK-UHFFFAOYSA-N	0	1	243.108	0.606	20	30		BCEDMN
C[C@@H](CCO)NCc1nc(C#N)cs1	ZINC000308720364	487852503	/nfs/dbraw/zinc/85/25/03/487852503.db2.gz	CXDBZDJJYWZLJW-ZETCQYMHSA-N	0	1	211.290	0.875	20	30		BCEDMN
COCC#CCN1CC[C@@H](O)C(C)(C)C1	ZINC000682089483	487908860	/nfs/dbraw/zinc/90/88/60/487908860.db2.gz	PZSZDNQZDLCXCM-LLVKDONJSA-N	0	1	211.305	0.729	20	30		BCEDMN
CCN1CCN(c2cc(C#N)ncn2)[C@H](C)C1	ZINC000561356753	323000234	/nfs/dbraw/zinc/00/02/34/323000234.db2.gz	AHENTYJVSUOVAA-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1cc(C#N)ncn1	ZINC000569656079	323035612	/nfs/dbraw/zinc/03/56/12/323035612.db2.gz	FXCGMYTZNUPHBH-UHFFFAOYSA-N	0	1	215.220	0.103	20	30		BCEDMN
Cc1cc(Cn2nnnc2CN)ccc1C#N	ZINC000569924957	323044657	/nfs/dbraw/zinc/04/46/57/323044657.db2.gz	SPCDHAYBANFSHE-UHFFFAOYSA-N	0	1	228.259	0.360	20	30		BCEDMN
N#CCCN[C@@H]1CCC(=O)NC12CCC2	ZINC000570626932	323065160	/nfs/dbraw/zinc/06/51/60/323065160.db2.gz	NYERHDWMEWILPG-SECBINFHSA-N	0	1	207.277	0.691	20	30		BCEDMN
COC[C@H](C)OC[C@@H](O)CNC[C@H](C)C#N	ZINC000562994081	323078722	/nfs/dbraw/zinc/07/87/22/323078722.db2.gz	UTTHMCSAQCIUIJ-VWYCJHECSA-N	0	1	230.308	0.148	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000491627057	323081493	/nfs/dbraw/zinc/08/14/93/323081493.db2.gz	JPLWMWFRHMPLIE-LURJTMIESA-N	0	1	222.204	0.460	20	30		BCEDMN
CC[C@@](C)(O)CN1CCN(C(=O)CC#N)CC1	ZINC000563360603	323119742	/nfs/dbraw/zinc/11/97/42/323119742.db2.gz	QRWQQAYTBJPRIL-GFCCVEGCSA-N	0	1	239.319	0.205	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCNC1=O	ZINC000563366361	323121408	/nfs/dbraw/zinc/12/14/08/323121408.db2.gz	PZWXUDWSXBRTQE-VIFPVBQESA-N	0	1	210.281	0.293	20	30		BCEDMN
CC#CCN(C)C(=O)[C@@H](C)N1CC(C)C1	ZINC000563399500	323123005	/nfs/dbraw/zinc/12/30/05/323123005.db2.gz	YNUCFPZCLFISKH-LLVKDONJSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCN(CC#C)C(=O)CN1CCC(C)CC1	ZINC000121825840	323166183	/nfs/dbraw/zinc/16/61/83/323166183.db2.gz	WRGHSEIZRKDDOS-UHFFFAOYSA-N	0	1	232.327	0.813	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@H](C)CN1CCOCC1	ZINC000535761346	323190670	/nfs/dbraw/zinc/19/06/70/323190670.db2.gz	PYJLXMZHINIIFK-WDEREUQCSA-N	0	1	239.319	0.231	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](c2nccn2C)C1	ZINC000536068791	323195821	/nfs/dbraw/zinc/19/58/21/323195821.db2.gz	NOXVWJJOTKYQIH-NSHDSACASA-N	0	1	248.330	0.512	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN(C2CC2)CC1	ZINC000677047654	487958008	/nfs/dbraw/zinc/95/80/08/487958008.db2.gz	DVDJWUMFZUUEFK-GFCCVEGCSA-N	0	1	210.321	0.703	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[NH+](C2CC2)CC1	ZINC000677047654	487958004	/nfs/dbraw/zinc/95/80/04/487958004.db2.gz	DVDJWUMFZUUEFK-GFCCVEGCSA-N	0	1	210.321	0.703	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN(CCOCC)CC1	ZINC000677047727	487958905	/nfs/dbraw/zinc/95/89/05/487958905.db2.gz	HPGHTFMWVBSRAM-ZDUSSCGKSA-N	0	1	242.363	0.578	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN(CCOCC)CC1	ZINC000677047726	487959427	/nfs/dbraw/zinc/95/94/27/487959427.db2.gz	HPGHTFMWVBSRAM-CYBMUJFWSA-N	0	1	242.363	0.578	20	30		BCEDMN
CNS(=O)(=O)[C@H]1CCN([C@@H](C)CCC#N)C1	ZINC000572527663	324190799	/nfs/dbraw/zinc/19/07/99/324190799.db2.gz	HEQFAKVZZYUANF-UWVGGRQHSA-N	0	1	245.348	0.302	20	30		BCEDMN
CNS(=O)(=O)[C@@H]1CCN([C@@H](C)CCC#N)C1	ZINC000572527664	324190815	/nfs/dbraw/zinc/19/08/15/324190815.db2.gz	HEQFAKVZZYUANF-VHSXEESVSA-N	0	1	245.348	0.302	20	30		BCEDMN
C=CC[C@@H](CO)CNc1ccncc1C(N)=O	ZINC000546580950	325288524	/nfs/dbraw/zinc/28/85/24/325288524.db2.gz	ZMYVXXDSKFPLRZ-SECBINFHSA-N	0	1	235.287	0.199	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(N(C)C)nc1	ZINC000309441379	487967392	/nfs/dbraw/zinc/96/73/92/487967392.db2.gz	IPEBCBYZUOPMQC-LLVKDONJSA-N	0	1	221.304	0.784	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)nc2)C1	ZINC000134973685	325385377	/nfs/dbraw/zinc/38/53/77/325385377.db2.gz	CPUXGDXCRQXIEX-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
CC(C)COC[C@@H](O)CNC[C@@H](C)C#N	ZINC000564857766	325818234	/nfs/dbraw/zinc/81/82/34/325818234.db2.gz	YBFJEQBAHOEIEX-QWRGUYRKSA-N	0	1	214.309	0.769	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2ccnc(C#N)n2)CCN1C	ZINC000566485346	326057071	/nfs/dbraw/zinc/05/70/71/326057071.db2.gz	GSDUGZCWMNNKEV-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#Cc1ccc(CN2CCC[C@@H](C(N)=O)C2)o1	ZINC000155019982	326179368	/nfs/dbraw/zinc/17/93/68/326179368.db2.gz	QIBYBJOCWJOJAZ-SECBINFHSA-N	0	1	233.271	0.849	20	30		BCEDMN
C=CCCCCN1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000569315747	326399745	/nfs/dbraw/zinc/39/97/45/326399745.db2.gz	KLPGZZZUBWALRK-JTQLQIEISA-N	0	1	237.303	0.579	20	30		BCEDMN
COCC#CCN1CCC(C(=O)N(C)C)CC1	ZINC000677132917	487979353	/nfs/dbraw/zinc/97/93/53/487979353.db2.gz	ZGYYTQFDQABSEW-UHFFFAOYSA-N	0	1	238.331	0.436	20	30		BCEDMN
COCC#CCN1CCC(NC(C)=O)CC1	ZINC000677133131	487980291	/nfs/dbraw/zinc/98/02/91/487980291.db2.gz	JFTKVZDUGXBOEQ-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1cc(C)cc(C)c1	ZINC000491508038	488033678	/nfs/dbraw/zinc/03/36/78/488033678.db2.gz	YEWHEBFVMVNUBO-KBPBESRZSA-N	0	1	233.311	0.921	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](C(F)F)C1	ZINC000677735813	488113870	/nfs/dbraw/zinc/11/38/70/488113870.db2.gz	HMRSLUJGXYVSRQ-QMMMGPOBSA-N	0	1	218.247	0.876	20	30		BCEDMN
COCC#CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000683222083	488132639	/nfs/dbraw/zinc/13/26/39/488132639.db2.gz	DKQLPNNYOYZWHC-ZSBIGDGJSA-N	0	1	211.305	0.870	20	30		BCEDMN
C=CCCOCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000673941867	487487358	/nfs/dbraw/zinc/48/73/58/487487358.db2.gz	DPIIDTVPJRBNDR-QMMMGPOBSA-N	0	1	224.264	0.575	20	30		BCEDMN
C=CCN1CC[C@H](N2CCCOC[C@H]2C)C1=O	ZINC000685003683	487490666	/nfs/dbraw/zinc/49/06/66/487490666.db2.gz	KPYQVCQMPAYYAA-NEPJUHHUSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCCOCC(=O)N1CC(N(C)C)C1	ZINC000677942881	488162382	/nfs/dbraw/zinc/16/23/82/488162382.db2.gz	TVXXMMCZPJHAKX-UHFFFAOYSA-N	0	1	212.293	0.352	20	30		BCEDMN
COCC#CC[N@@H+](C)CCNC(=O)C(C)C	ZINC000678087710	488195123	/nfs/dbraw/zinc/19/51/23/488195123.db2.gz	XELPAAPXQZPKMA-UHFFFAOYSA-N	0	1	226.320	0.340	20	30		BCEDMN
COCC#CCN(C)CCNC(=O)C(C)C	ZINC000678087710	488195125	/nfs/dbraw/zinc/19/51/25/488195125.db2.gz	XELPAAPXQZPKMA-UHFFFAOYSA-N	0	1	226.320	0.340	20	30		BCEDMN
COCC#CCN1CCC(CO)(OC)CC1	ZINC000683677592	488206085	/nfs/dbraw/zinc/20/60/85/488206085.db2.gz	XOZDDHXJJRNZCI-UHFFFAOYSA-N	0	1	227.304	0.110	20	30		BCEDMN
COCC#CCN(CCOC)[C@@H]1CCOC1	ZINC000683802573	488224228	/nfs/dbraw/zinc/22/42/28/488224228.db2.gz	YYBXSSIGLSIJKZ-GFCCVEGCSA-N	0	1	227.304	0.374	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCCN(C)C1	ZINC000684761284	488340294	/nfs/dbraw/zinc/34/02/94/488340294.db2.gz	PBTRTHRHXLFXCB-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
COCC#CCN(C)[C@@H]1CCC(=O)N(C)C1	ZINC000653698998	490198563	/nfs/dbraw/zinc/19/85/63/490198563.db2.gz	QRJIHKAYIUOTKW-LLVKDONJSA-N	0	1	224.304	0.189	20	30		BCEDMN
CN(C)C1CN(c2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000297496967	491098991	/nfs/dbraw/zinc/09/89/91/491098991.db2.gz	MXJMRULDICXINB-UHFFFAOYSA-N	0	1	247.258	0.612	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)CCc1nn[nH]n1	ZINC000890655778	582494690	/nfs/dbraw/zinc/49/46/90/582494690.db2.gz	QFVQEAGTJLHMDP-VIFPVBQESA-N	0	1	233.275	0.147	20	30		BCEDMN
CN(CCC#N)C1CCN(S(C)(=O)=O)CC1	ZINC000121396656	536299320	/nfs/dbraw/zinc/29/93/20/536299320.db2.gz	QJSYKZUSYFGLEW-UHFFFAOYSA-N	0	1	245.348	0.256	20	30		BCEDMN
CN(CCC(C)(C)C#N)[C@@H]1COC[C@@H]1O	ZINC000352799176	536314450	/nfs/dbraw/zinc/31/44/50/536314450.db2.gz	FOAOTSCCQCFZAP-ZJUUUORDSA-N	0	1	212.293	0.618	20	30		BCEDMN
C=C(CC)CN1CC[C@@H](S(=O)(=O)NCC)C1	ZINC000358737289	534396519	/nfs/dbraw/zinc/39/65/19/534396519.db2.gz	OFMAUYUVSUFTEY-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
C=C[C@@H](CO)NCc1ccc2c(c1)oc(=O)n2C	ZINC000353577979	534540378	/nfs/dbraw/zinc/54/03/78/534540378.db2.gz	URBQUROWSSNWMQ-JTQLQIEISA-N	0	1	248.282	0.768	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000355118966	534631556	/nfs/dbraw/zinc/63/15/56/534631556.db2.gz	KLKMKDGUMXXPMB-TVQRCGJNSA-N	0	1	249.314	0.710	20	30		BCEDMN
C=CCCCN(C)[C@@H](COC)C(N)=O	ZINC000339364707	534712038	/nfs/dbraw/zinc/71/20/38/534712038.db2.gz	WXWJJLKKKSOIBS-VIFPVBQESA-N	0	1	200.282	0.385	20	30		BCEDMN
C=CCCCN(C)[C@H](COC)C(N)=O	ZINC000339364706	534714508	/nfs/dbraw/zinc/71/45/08/534714508.db2.gz	WXWJJLKKKSOIBS-SECBINFHSA-N	0	1	200.282	0.385	20	30		BCEDMN
CC#CCNC(=O)c1ccc(CN(C)C)nc1	ZINC000339343435	534715758	/nfs/dbraw/zinc/71/57/58/534715758.db2.gz	JWSJICHFZIKFNU-UHFFFAOYSA-N	0	1	231.299	0.896	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000174551203	534782133	/nfs/dbraw/zinc/78/21/33/534782133.db2.gz	XFFKEFSZEYUAGW-DTWKUNHWSA-N	0	1	238.291	0.963	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000121359185	534816209	/nfs/dbraw/zinc/81/62/09/534816209.db2.gz	ODBSKJQXUFAIRW-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCOCC(=O)N1CCNC[C@H]1CCC	ZINC000359234575	534868442	/nfs/dbraw/zinc/86/84/42/534868442.db2.gz	SZJRPADYMORKNZ-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCOCCCN(C)[C@@H](COC)C(N)=O	ZINC000339355632	534873487	/nfs/dbraw/zinc/87/34/87/534873487.db2.gz	FLWUAOFYPZCCLN-JTQLQIEISA-N	0	1	230.308	0.011	20	30		BCEDMN
C=CCNC(=O)CNC/C=C\c1ccncc1	ZINC000487572741	526568662	/nfs/dbraw/zinc/56/86/62/526568662.db2.gz	MDLGBYVUKHXUEC-ARJAWSKDSA-N	0	1	231.299	0.987	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000892518416	582905517	/nfs/dbraw/zinc/90/55/17/582905517.db2.gz	SDGLNHGWZBPUPC-FTYOSLGDSA-N	0	1	236.271	0.256	20	30		BCEDMN
C=CCOCC(=O)N[C@H](C)c1nnc[nH]1	ZINC000479591939	526715775	/nfs/dbraw/zinc/71/57/75/526715775.db2.gz	NZOMSAPVTADOLB-SSDOTTSWSA-N	0	1	210.237	0.185	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCCO)CC1	ZINC000490839790	526935037	/nfs/dbraw/zinc/93/50/37/526935037.db2.gz	KIYOUYQLHPMTIH-UHFFFAOYSA-N	0	1	225.288	0.257	20	30		BCEDMN
CC(C)N(CC(=O)NCC#N)[C@@H]1CCOC1	ZINC000361402612	535037967	/nfs/dbraw/zinc/03/79/67/535037967.db2.gz	JZNNITZCKWWVQX-SNVBAGLBSA-N	0	1	225.292	0.125	20	30		BCEDMN
CC(C)[C@@H]1CN(C(=O)CC#N)CCN1C	ZINC000336090789	535255867	/nfs/dbraw/zinc/25/58/67/535255867.db2.gz	SDHBCXHDVOMLFR-JTQLQIEISA-N	0	1	209.293	0.699	20	30		BCEDMN
CC(C)C(N)=NOC[C@@H]1CNC(=O)O1	ZINC000282290340	535338267	/nfs/dbraw/zinc/33/82/67/535338267.db2.gz	QKVQQADFMGUVLF-LURJTMIESA-N	0	1	201.226	0.040	20	30		BCEDMN
CN(C(=O)[C@H]1CCCN1C)C1(C#N)CCC1	ZINC000336617537	536064233	/nfs/dbraw/zinc/06/42/33/536064233.db2.gz	YKYADWHDXGBCID-SNVBAGLBSA-N	0	1	221.304	0.985	20	30		BCEDMN
COC1(C)CCN(CC(=O)NCC#N)CC1	ZINC000342138932	536561500	/nfs/dbraw/zinc/56/15/00/536561500.db2.gz	PEHXULSKDONMLP-UHFFFAOYSA-N	0	1	225.292	0.127	20	30		BCEDMN
C#CCO[C@H](C)C(=O)O[C@H](C)c1nnc[nH]1	ZINC000853226016	588727414	/nfs/dbraw/zinc/72/74/14/588727414.db2.gz	ULHYGHVHOAQHTQ-HTQZYQBOSA-N	0	1	223.232	0.447	20	30		BCEDMN
C#Cc1cccnc1N1CCN(CCCO)CC1	ZINC000853245363	588728421	/nfs/dbraw/zinc/72/84/21/588728421.db2.gz	XRBMZLIWYRZSAM-UHFFFAOYSA-N	0	1	245.326	0.567	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn(C3CCC3)nn2)N1	ZINC000853330393	588733588	/nfs/dbraw/zinc/73/35/88/588733588.db2.gz	MRTQXDOXCOGWGX-QMMMGPOBSA-N	0	1	247.306	0.274	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccnn2CC2CC2)N1	ZINC000853330215	588733616	/nfs/dbraw/zinc/73/36/16/588733616.db2.gz	KPGLPDCDCRQCIL-VIFPVBQESA-N	0	1	246.318	0.564	20	30		BCEDMN
Cc1nc(C=NNc2cnnn2C)[nH]c1C	ZINC000853352385	588737038	/nfs/dbraw/zinc/73/70/38/588737038.db2.gz	RNKJCUMKFMRRDE-UHFFFAOYSA-N	0	1	219.252	0.601	20	30		BCEDMN
CC(C)n1ccnc1C=NNC1=NCCN1	ZINC000853357641	588737662	/nfs/dbraw/zinc/73/76/62/588737662.db2.gz	INHKPXJEJWUNRK-UHFFFAOYSA-N	0	1	220.280	0.347	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ccncc1F	ZINC000853402009	588741232	/nfs/dbraw/zinc/74/12/32/588741232.db2.gz	KZBAQZDAMNXNCJ-QMMMGPOBSA-N	0	1	222.267	0.992	20	30		BCEDMN
CCn1cc(C=NNc2nnc(C)n2C)cn1	ZINC000853432756	588742113	/nfs/dbraw/zinc/74/21/13/588742113.db2.gz	IQJLMEFBKRBFRF-UHFFFAOYSA-N	0	1	233.279	0.786	20	30		BCEDMN
Cc1nnc(NN=Cc2cncn2C)n1C	ZINC000853432850	588742131	/nfs/dbraw/zinc/74/21/31/588742131.db2.gz	LZIHRWIFWORNCP-UHFFFAOYSA-N	0	1	219.252	0.303	20	30		BCEDMN
CCN(C(=O)NCCC#N)[C@H]1CC[N@@H+](C)C1	ZINC000854025848	588772004	/nfs/dbraw/zinc/77/20/04/588772004.db2.gz	WEOOUXBBLVGOHG-JTQLQIEISA-N	0	1	224.308	0.636	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000854077456	588773768	/nfs/dbraw/zinc/77/37/68/588773768.db2.gz	SEGPIIKYRPJHEN-IONNQARKSA-N	0	1	235.291	0.885	20	30		BCEDMN
CC(C)C#CC(=O)NC[C@H]1CN2CCN1CCC2	ZINC000854354072	588784977	/nfs/dbraw/zinc/78/49/77/588784977.db2.gz	LYKCRWURARDKDW-ZDUSSCGKSA-N	0	1	249.358	0.152	20	30		BCEDMN
C=CCN(CCC#N)C(=O)C1=NC(=O)N(C)C1	ZINC000854594808	588796294	/nfs/dbraw/zinc/79/62/94/588796294.db2.gz	AZWJDNKYRSIQGM-UHFFFAOYSA-N	0	1	234.259	0.668	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)Cc1n[nH]c(C)n1	ZINC000854693839	588802202	/nfs/dbraw/zinc/80/22/02/588802202.db2.gz	XKVBIWDUWFLQDZ-LLVKDONJSA-N	0	1	220.276	0.574	20	30		BCEDMN
C#C[C@H](CO)NC(=O)c1c(C)n[nH]c1C(C)C	ZINC000854771715	588807037	/nfs/dbraw/zinc/80/70/37/588807037.db2.gz	HQKPXKLEERVQKO-SECBINFHSA-N	0	1	235.287	0.565	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCOC2)CC1	ZINC000854806698	588811351	/nfs/dbraw/zinc/81/13/51/588811351.db2.gz	XEHCUZHPAKRUSV-UHFFFAOYSA-N	0	1	222.288	0.148	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000854987129	588819905	/nfs/dbraw/zinc/81/99/05/588819905.db2.gz	LCDPOROGQYHYJS-SNVBAGLBSA-N	0	1	232.287	0.780	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@H]2CCN2C(C)(C)C)C1	ZINC000890526137	582466538	/nfs/dbraw/zinc/46/65/38/582466538.db2.gz	ILLNSGMTSQOJPB-SNVBAGLBSA-N	0	1	236.315	0.066	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000890548268	582470323	/nfs/dbraw/zinc/47/03/23/582470323.db2.gz	OQLQNBBYMJTGKL-NQBHXWOUSA-N	0	1	238.331	0.619	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000890550717	582471111	/nfs/dbraw/zinc/47/11/11/582471111.db2.gz	NASBBXDTIXFIAA-IWSPIJDZSA-N	0	1	210.233	0.829	20	30		BCEDMN
C=CC(C)(C)NC(=O)CCc1c[nH]nn1	ZINC000891266057	582645228	/nfs/dbraw/zinc/64/52/28/582645228.db2.gz	CPPAWAQXIXSKPU-UHFFFAOYSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=CC(C)(C)NC(=O)CCc1cnn[nH]1	ZINC000891266057	582645231	/nfs/dbraw/zinc/64/52/31/582645231.db2.gz	CPPAWAQXIXSKPU-UHFFFAOYSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=CC(C)(C)NC(=O)CN1CCN(CC)CC1	ZINC000891268915	582649041	/nfs/dbraw/zinc/64/90/41/582649041.db2.gz	AHYKSPYHXBEJSR-UHFFFAOYSA-N	0	1	239.363	0.705	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CCC[N@@H+]1CCC	ZINC000855603270	588841370	/nfs/dbraw/zinc/84/13/70/588841370.db2.gz	LQEZFHOAAJXAFL-JTQLQIEISA-N	0	1	210.277	0.542	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC=CCC1	ZINC000846677116	582663975	/nfs/dbraw/zinc/66/39/75/582663975.db2.gz	KOTXFKQRUNQZNR-HBNTYKKESA-N	0	1	219.288	0.570	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccco1	ZINC000846678428	582664334	/nfs/dbraw/zinc/66/43/34/582664334.db2.gz	UCRUMEMMKUJKSI-KOLCDFICSA-N	0	1	233.271	0.440	20	30		BCEDMN
C=CCC1(NC(=O)c2ncn[nH]2)CCOCC1	ZINC000855686907	588845035	/nfs/dbraw/zinc/84/50/35/588845035.db2.gz	YSNUBNCIGQULJX-UHFFFAOYSA-N	0	1	236.275	0.660	20	30		BCEDMN
C=CCC1(NC(=O)c2nc[nH]n2)CCOCC1	ZINC000855686907	588845036	/nfs/dbraw/zinc/84/50/36/588845036.db2.gz	YSNUBNCIGQULJX-UHFFFAOYSA-N	0	1	236.275	0.660	20	30		BCEDMN
C#CCOCCNC(=O)NCc1cc(N)ccn1	ZINC000891777097	582718997	/nfs/dbraw/zinc/71/89/97/582718997.db2.gz	UVFLZWMUFBLYCF-UHFFFAOYSA-N	0	1	248.286	0.113	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cnc(C)nc1C	ZINC000779795283	582733107	/nfs/dbraw/zinc/73/31/07/582733107.db2.gz	RJULAZITZHVPNB-ZETCQYMHSA-N	0	1	246.318	0.755	20	30		BCEDMN
C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000892495763	582898118	/nfs/dbraw/zinc/89/81/18/582898118.db2.gz	FFDBBVBPPHSLNM-SFGNSQDASA-N	0	1	236.271	0.399	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)CO1	ZINC000892498654	582898562	/nfs/dbraw/zinc/89/85/62/582898562.db2.gz	LJVZWTQIIPHHFJ-GUBZILKMSA-N	0	1	238.287	0.645	20	30		BCEDMN
C[C@H](O)CN(C)N=C1CN2CCC1CC2	ZINC000841649564	583011321	/nfs/dbraw/zinc/01/13/21/583011321.db2.gz	CYKRXMDVCYIQSR-VIFPVBQESA-N	0	1	211.309	0.381	20	30		BCEDMN
C#CCC(C)(C)C(=O)N(C)c1nn[nH]n1	ZINC000892954521	583019438	/nfs/dbraw/zinc/01/94/38/583019438.db2.gz	KMBPICJTQJSVPT-UHFFFAOYSA-N	0	1	207.237	0.212	20	30		BCEDMN
CC(C)C[C@H](CO)N(C)CC(=O)NCCC#N	ZINC000775752519	583103187	/nfs/dbraw/zinc/10/31/87/583103187.db2.gz	AFFNCAXPOQFPSJ-LLVKDONJSA-N	0	1	241.335	0.355	20	30		BCEDMN
N#CCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000855471346	583106720	/nfs/dbraw/zinc/10/67/20/583106720.db2.gz	NTCOFAUNHRMFDO-HTQZYQBOSA-N	0	1	209.205	0.024	20	30		BCEDMN
CCOc1ccc(C=NNC2=NCCN2)c(O)c1	ZINC000841663295	583167451	/nfs/dbraw/zinc/16/74/51/583167451.db2.gz	XIHGTPYQGSBXFI-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
C#CC[C@@H]1CCCN(CN2CCC2=O)C1	ZINC000857236177	588900120	/nfs/dbraw/zinc/90/01/20/588900120.db2.gz	CYZIIWQRRMOXHH-LLVKDONJSA-N	0	1	206.289	0.912	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccc(Cl)nn1	ZINC000895097413	583588468	/nfs/dbraw/zinc/58/84/68/583588468.db2.gz	FNTIERKQRUUZIE-JTQLQIEISA-N	0	1	239.706	0.994	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ocnc1C	ZINC000895103548	583589116	/nfs/dbraw/zinc/58/91/16/583589116.db2.gz	XKROLWFKLHVDHM-SNVBAGLBSA-N	0	1	208.261	0.847	20	30		BCEDMN
COc1ncnc(N)c1C=NNc1cncnc1	ZINC000794975993	583633956	/nfs/dbraw/zinc/63/39/56/583633956.db2.gz	BVWQIAQPPUHRRE-UHFFFAOYSA-N	0	1	245.246	0.303	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc(C#N)n1	ZINC000895325861	583651291	/nfs/dbraw/zinc/65/12/91/583651291.db2.gz	VEIWFKXVZMAOOK-OLZOCXBDSA-N	0	1	247.298	0.271	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn(C)c1C1CC1	ZINC000895458071	583677089	/nfs/dbraw/zinc/67/70/89/583677089.db2.gz	BKPZAOLJXUEXDK-LLVKDONJSA-N	0	1	221.304	0.934	20	30		BCEDMN
C=C[C@H](CO)NCc1cn(C)nc1C1CC1	ZINC000895461313	583677815	/nfs/dbraw/zinc/67/78/15/583677815.db2.gz	IRLBNYSXMAQTPR-LLVKDONJSA-N	0	1	221.304	0.934	20	30		BCEDMN
C#CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2	ZINC000895482474	583680783	/nfs/dbraw/zinc/68/07/83/583680783.db2.gz	GNOCTEVPLKOIGQ-QMMMGPOBSA-N	0	1	217.272	0.898	20	30		BCEDMN
C#Cc1cnc(NC[C@H]2CCN2C)nc1	ZINC000895769597	583724394	/nfs/dbraw/zinc/72/43/94/583724394.db2.gz	VDHUPGWQHKMPIF-SNVBAGLBSA-N	0	1	202.261	0.574	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccnc(OC)c1F	ZINC000895965194	583753743	/nfs/dbraw/zinc/75/37/43/583753743.db2.gz	UYMIZFHUVJOOCL-JTQLQIEISA-N	0	1	238.262	0.703	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(OC)cn1	ZINC000895963461	583753998	/nfs/dbraw/zinc/75/39/98/583753998.db2.gz	IRSWQVMNSWUGIA-NSHDSACASA-N	0	1	220.272	0.564	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000895982717	583758220	/nfs/dbraw/zinc/75/82/20/583758220.db2.gz	PDOHPJINUUBVQU-GXSJLCMTSA-N	0	1	237.303	0.125	20	30		BCEDMN
CC1(C)[C@@H](N[C@@H]2CC[C@@H](C#N)C2)CS1(=O)=O	ZINC000895982810	583758423	/nfs/dbraw/zinc/75/84/23/583758423.db2.gz	FZZCXYQHWFFRGV-BBBLOLIVSA-N	0	1	242.344	0.844	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1cn(CC)nn1	ZINC000896035125	583764563	/nfs/dbraw/zinc/76/45/63/583764563.db2.gz	NMXFCLDONOXAFB-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000896413760	583801052	/nfs/dbraw/zinc/80/10/52/583801052.db2.gz	HTXFUKDFTYFERN-JQWIXIFHSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C	ZINC000896564061	583812766	/nfs/dbraw/zinc/81/27/66/583812766.db2.gz	NPKOZVABKWLZML-RYUDHWBXSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=CCCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C	ZINC000896564062	583812776	/nfs/dbraw/zinc/81/27/76/583812776.db2.gz	NPKOZVABKWLZML-VXGBXAGGSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=CC(C)(C)NC(=O)NC[C@@H]1CCN1C	ZINC000896618552	583818045	/nfs/dbraw/zinc/81/80/45/583818045.db2.gz	FBKVTGPAILARGE-VIFPVBQESA-N	0	1	211.309	0.954	20	30		BCEDMN
C#CCSCC(=O)N[C@H](C)c1nnc[nH]1	ZINC000896763962	583831544	/nfs/dbraw/zinc/83/15/44/583831544.db2.gz	XADAHXLYOXGDGI-SSDOTTSWSA-N	0	1	224.289	0.348	20	30		BCEDMN
N#Cc1cccc(CNCCO[C@H]2CCOC2)n1	ZINC000897201517	583893259	/nfs/dbraw/zinc/89/32/59/583893259.db2.gz	KDGKRNPMSMOUKY-ZDUSSCGKSA-N	0	1	247.298	0.848	20	30		BCEDMN
CC#CCCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897336040	583924531	/nfs/dbraw/zinc/92/45/31/583924531.db2.gz	MXZDIKUVIKXFSY-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
CC#CCCNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897336041	583924561	/nfs/dbraw/zinc/92/45/61/583924561.db2.gz	MXZDIKUVIKXFSY-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
N#CCCCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897367952	583942880	/nfs/dbraw/zinc/94/28/80/583942880.db2.gz	KEGYWEHZAPNHGA-LLVKDONJSA-N	0	1	237.303	0.127	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000897433882	583973547	/nfs/dbraw/zinc/97/35/47/583973547.db2.gz	GJLNKTHUJIHWJY-NXEZZACHSA-N	0	1	208.305	0.997	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1ncc[nH]1	ZINC000858333476	588946509	/nfs/dbraw/zinc/94/65/09/588946509.db2.gz	HPKOQFUTFHDJLI-JTQLQIEISA-N	0	1	207.277	0.928	20	30		BCEDMN
C[N@H+]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000729522044	584017309	/nfs/dbraw/zinc/01/73/09/584017309.db2.gz	GHSICTJLMFWDHY-SSDOTTSWSA-N	0	1	244.258	0.043	20	30		BCEDMN
CC(C)(C)N1CC[C@@H]1C(=O)NCCC#N	ZINC000897592965	584023735	/nfs/dbraw/zinc/02/37/35/584023735.db2.gz	XTJLHNXRSQDYHS-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=CCOCC(=O)C(C#N)C(=O)NC1CC1	ZINC000729888953	584027927	/nfs/dbraw/zinc/02/79/27/584027927.db2.gz	KROYSVNGXXMEMN-VIFPVBQESA-N	0	1	222.244	0.176	20	30		BCEDMN
C[C@H]1CN(Cc2cccc(C#N)n2)C[C@@H]1O	ZINC000897680566	584037865	/nfs/dbraw/zinc/03/78/65/584037865.db2.gz	SQTOGUVFVSSBQM-CABZTGNLSA-N	0	1	217.272	0.766	20	30		BCEDMN
C#CCSCC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000897751859	584043866	/nfs/dbraw/zinc/04/38/66/584043866.db2.gz	PCYCIAKWSOPKFD-ZETCQYMHSA-N	0	1	238.316	0.657	20	30		BCEDMN
C#CCSCC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000898005557	584070429	/nfs/dbraw/zinc/07/04/29/584070429.db2.gz	CJRXSAPOUZZTGA-UHFFFAOYSA-N	0	1	241.272	0.100	20	30		BCEDMN
C[C@@H](C#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898149607	584087387	/nfs/dbraw/zinc/08/73/87/584087387.db2.gz	UKRZAXWSHJFROP-LURJTMIESA-N	0	1	207.237	0.316	20	30		BCEDMN
Cc1nc(CNC(=O)N2CC[C@@](C)(C#N)C2)n[nH]1	ZINC000898348864	584112112	/nfs/dbraw/zinc/11/21/12/584112112.db2.gz	UCBLDASLYMIFMB-NSHDSACASA-N	0	1	248.290	0.558	20	30		BCEDMN
Cc1nc(CNC(=O)N(C)C[C@@H](C)C#N)n[nH]1	ZINC000898370654	584112992	/nfs/dbraw/zinc/11/29/92/584112992.db2.gz	IWIFIQNDHMWIAL-ZETCQYMHSA-N	0	1	236.279	0.414	20	30		BCEDMN
C=CCN(CC=C)C(=O)NCc1n[nH]c(C)n1	ZINC000898376849	584113770	/nfs/dbraw/zinc/11/37/70/584113770.db2.gz	PJMOBPVGWQXKCY-UHFFFAOYSA-N	0	1	235.291	0.997	20	30		BCEDMN
C[C@H](C#N)CN1N=C(c2ccnn2C)CC1=O	ZINC000899347716	584198522	/nfs/dbraw/zinc/19/85/22/584198522.db2.gz	CAPZRHWBJHUNMC-MRVPVSSYSA-N	0	1	231.259	0.516	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2ncccn2)C1=O	ZINC000899347356	584199633	/nfs/dbraw/zinc/19/96/33/584199633.db2.gz	RAOMWVILXMGLKP-VIFPVBQESA-N	0	1	214.228	0.839	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000899920602	584255023	/nfs/dbraw/zinc/25/50/23/584255023.db2.gz	LTQCNADTCSUVPR-AAEUAGOBSA-N	0	1	238.331	0.642	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000900329170	584295158	/nfs/dbraw/zinc/29/51/58/584295158.db2.gz	LPZFGCUBZZAEJQ-CKYFFXLPSA-N	0	1	239.319	0.060	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)Cc1c[nH]cn1	ZINC000900329758	584295183	/nfs/dbraw/zinc/29/51/83/584295183.db2.gz	VUKBFWHIBXMFBK-MRVPVSSYSA-N	0	1	206.249	0.570	20	30		BCEDMN
N#C[C@]1(NC(=O)c2[nH]ncc2F)CCSC1	ZINC000900463553	584313747	/nfs/dbraw/zinc/31/37/47/584313747.db2.gz	GROBCZQBQYOYRY-SECBINFHSA-N	0	1	240.263	0.678	20	30		BCEDMN
CCNCc1cn(Cc2cc(C#N)ccn2)nn1	ZINC000900628643	584333329	/nfs/dbraw/zinc/33/33/29/584333329.db2.gz	LUZJHMGHOVOZEL-UHFFFAOYSA-N	0	1	242.286	0.703	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1	ZINC000900741043	584347804	/nfs/dbraw/zinc/34/78/04/584347804.db2.gz	GELUIWDERNCNOG-AAEUAGOBSA-N	0	1	240.347	0.914	20	30		BCEDMN
C[C@H](NC(=O)C#CC1CC1)[C@H]1CN(C)CCN1C	ZINC000900809874	584355531	/nfs/dbraw/zinc/35/55/31/584355531.db2.gz	FBFFLVPCGGOTAT-WCQYABFASA-N	0	1	249.358	0.150	20	30		BCEDMN
CCOc1ccc(C=NNC2=NC[C@@H](C)N2)o1	ZINC000901215625	584401529	/nfs/dbraw/zinc/40/15/29/584401529.db2.gz	LAFHHDMTQVDXRE-MRVPVSSYSA-N	0	1	236.275	0.950	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn(C3CCC3)c2)N1	ZINC000901215658	584401549	/nfs/dbraw/zinc/40/15/49/584401549.db2.gz	LITLTOCKNMUFCK-VIFPVBQESA-N	0	1	246.318	0.879	20	30		BCEDMN
Cc1cc(F)ncc1C=NNC1=NC[C@@H](C)N1	ZINC000901216011	584401646	/nfs/dbraw/zinc/40/16/46/584401646.db2.gz	NCADMFQIEYQSFM-MRVPVSSYSA-N	0	1	235.266	0.800	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2csc(C#N)c2)N1	ZINC000901216875	584401781	/nfs/dbraw/zinc/40/17/81/584401781.db2.gz	SBAQFFQSDIVGCH-SSDOTTSWSA-N	0	1	233.300	0.891	20	30		BCEDMN
CC(=NN[C@H]1CCSC1)c1c[nH]c(N)n1	ZINC000901238297	584405892	/nfs/dbraw/zinc/40/58/92/584405892.db2.gz	BBXYTVIPRVQRAZ-ZETCQYMHSA-N	0	1	225.321	0.811	20	30		BCEDMN
CCc1onc(C)c1C=NNC1=NCCN1	ZINC000901252660	584410219	/nfs/dbraw/zinc/41/02/19/584410219.db2.gz	LGMWMIYOJKIUQU-UHFFFAOYSA-N	0	1	221.264	0.428	20	30		BCEDMN
N#Cc1cncc(COCCc2c[nH]nn2)c1	ZINC000902421817	584592928	/nfs/dbraw/zinc/59/29/28/584592928.db2.gz	HZCGTGRUHGMKCU-UHFFFAOYSA-N	0	1	229.243	0.831	20	30		BCEDMN
C#CCCOC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000859089684	588999707	/nfs/dbraw/zinc/99/97/07/588999707.db2.gz	IQMDXFTYEKPWPR-ZETCQYMHSA-N	0	1	208.221	0.615	20	30		BCEDMN
C#CC[N@H+](C)CCCNCc1cn(CC)cn1	ZINC000902576694	584637552	/nfs/dbraw/zinc/63/75/52/584637552.db2.gz	XFKITXFNEYVBJI-UHFFFAOYSA-N	0	1	234.347	0.948	20	30		BCEDMN
COC[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1	ZINC000902976157	584707442	/nfs/dbraw/zinc/70/74/42/584707442.db2.gz	NTTIWJNJGZOKFA-ONGXEEELSA-N	0	1	235.287	0.611	20	30		BCEDMN
C#CCN1CC[C@@H](Nc2ncccn2)C1	ZINC000903031905	584718681	/nfs/dbraw/zinc/71/86/81/584718681.db2.gz	UNHYIZZYMVAMJY-SNVBAGLBSA-N	0	1	202.261	0.596	20	30		BCEDMN
C[C@@H](N[C@@H]1COCC[C@H]1O)c1cc(C#N)ccn1	ZINC000903082230	584724957	/nfs/dbraw/zinc/72/49/57/584724957.db2.gz	RKACRTCKXJUATG-OASPWFOLSA-N	0	1	247.298	0.754	20	30		BCEDMN
C=C(C)C[C@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000903095727	584729187	/nfs/dbraw/zinc/72/91/87/584729187.db2.gz	XQVFVCUTLWAKQE-VHSXEESVSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CCCOC(=O)N(C)Cc1nnc[nH]1	ZINC000859140535	589008103	/nfs/dbraw/zinc/00/81/03/589008103.db2.gz	XBBCZCIIGVNPKX-UHFFFAOYSA-N	0	1	208.221	0.396	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)OCc1c[nH]nn1	ZINC000734332313	584960104	/nfs/dbraw/zinc/96/01/04/584960104.db2.gz	OUYKLQXWZBATIC-MRVPVSSYSA-N	0	1	225.248	0.829	20	30		BCEDMN
C[C@@H](C#N)CN(C)c1nccnc1-c1nn[nH]n1	ZINC000735505659	584978347	/nfs/dbraw/zinc/97/83/47/584978347.db2.gz	SAXZZMPGMUMOLJ-ZETCQYMHSA-N	0	1	244.262	0.253	20	30		BCEDMN
C=CC1CC[NH+](Cn2cc(C(=O)[O-])nn2)CC1	ZINC000736096361	584989647	/nfs/dbraw/zinc/98/96/47/584989647.db2.gz	LQFBFMBYNHNDSM-UHFFFAOYSA-N	0	1	236.275	0.832	20	30		BCEDMN
C#CCCOC(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000859196765	589017694	/nfs/dbraw/zinc/01/76/94/589017694.db2.gz	GOASSSLGAKSUSH-SECBINFHSA-N	0	1	234.259	0.754	20	30		BCEDMN
C#CCN1CCN(C(=O)[C@H]2CCCCN2C)CC1	ZINC000737851409	585038839	/nfs/dbraw/zinc/03/88/39/585038839.db2.gz	VATXDNQZDUJVKZ-CYBMUJFWSA-N	0	1	249.358	0.248	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)NCc1cc(C)[nH]n1	ZINC000838480023	585059175	/nfs/dbraw/zinc/05/91/75/585059175.db2.gz	COANUWSZIFMMIO-NSHDSACASA-N	0	1	248.286	0.262	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1	ZINC000838786078	585069896	/nfs/dbraw/zinc/06/98/96/585069896.db2.gz	FVZUZACNFAIKNB-VXNVDRBHSA-N	0	1	208.261	0.877	20	30		BCEDMN
CS[C@H](C)C(=O)C(C#N)C(=O)NC1CC1	ZINC000103330215	585098021	/nfs/dbraw/zinc/09/80/21/585098021.db2.gz	LVEUQJBNEZECKP-HTRCEHHLSA-N	0	1	226.301	0.725	20	30		BCEDMN
N=C(N)NN=Cc1cc(-c2cccnc2)n[nH]1	ZINC000743416909	585136444	/nfs/dbraw/zinc/13/64/44/585136444.db2.gz	CRLLBRQQLLGZQK-UHFFFAOYSA-N	0	1	229.247	0.289	20	30		BCEDMN
N#CCSCCCN1CCCNC(=O)C1	ZINC000745942738	585161788	/nfs/dbraw/zinc/16/17/88/585161788.db2.gz	PSNNAIMHJLIVSJ-UHFFFAOYSA-N	0	1	227.333	0.455	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)c2cn[nH]c2)CC1	ZINC000746445315	585167952	/nfs/dbraw/zinc/16/79/52/585167952.db2.gz	ADVGSBLZXAJKMY-UHFFFAOYSA-N	0	1	246.314	0.718	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)NCc1cnc[nH]1	ZINC000748319416	585190821	/nfs/dbraw/zinc/19/08/21/585190821.db2.gz	AXLQCBOFSZFBDL-NSHDSACASA-N	0	1	232.287	0.124	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@@H](C)c2nnc[nH]2)nc1	ZINC000748380159	585191890	/nfs/dbraw/zinc/19/18/90/585191890.db2.gz	XRDYOUMZYULERN-QMMMGPOBSA-N	0	1	241.254	0.672	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C	ZINC000748405046	585192451	/nfs/dbraw/zinc/19/24/51/585192451.db2.gz	CCCBVXKWYSPYTP-LBPRGKRZSA-N	0	1	237.347	0.104	20	30		BCEDMN
COC[C@@H]1CCCN1CC(=O)NCCC#N	ZINC000752086984	585242142	/nfs/dbraw/zinc/24/21/42/585242142.db2.gz	BTOKSVHZNQLVIX-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
CCOC(=O)[C@H](CC1CC1)NC(=O)C(C)C#N	ZINC000752722318	585248960	/nfs/dbraw/zinc/24/89/60/585248960.db2.gz	CFIXYOGMHIDPDK-SCZZXKLOSA-N	0	1	238.287	0.994	20	30		BCEDMN
C[C@@H]1CC(=Nn2cnnc2)CN1C1CC1	ZINC000753968344	585273842	/nfs/dbraw/zinc/27/38/42/585273842.db2.gz	VLXFGMYPXOEXTN-MRVPVSSYSA-N	0	1	205.265	0.739	20	30		BCEDMN
CC(C)[N@H+]1CC(=Nn2cnnc2)[C@@H](C)C1	ZINC000754256175	585281252	/nfs/dbraw/zinc/28/12/52/585281252.db2.gz	URJJZUNGENFOJI-VIFPVBQESA-N	0	1	207.281	0.842	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(CC)[C@H](C)C1	ZINC000756024278	585313253	/nfs/dbraw/zinc/31/32/53/585313253.db2.gz	DKHCCNPQIBEKSA-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)C1=COCC1	ZINC000756542417	585321071	/nfs/dbraw/zinc/32/10/71/585321071.db2.gz	INRSNZRYHBMABO-GFCCVEGCSA-N	0	1	235.283	0.931	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCCNC1=O)[C@@H]1CCCO1	ZINC000839563300	585331405	/nfs/dbraw/zinc/33/14/05/585331405.db2.gz	HAVRUUQUNJYMJX-AXFHLTTASA-N	0	1	222.288	0.035	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839733643	585337562	/nfs/dbraw/zinc/33/75/62/585337562.db2.gz	LTOIWUYGZRCHRJ-BHNWBGBOSA-N	0	1	227.195	0.116	20	30		BCEDMN
Cc1cn(C)nc1C(=O)N=C1C[C@@H](C)ON1	ZINC000839714875	585337929	/nfs/dbraw/zinc/33/79/29/585337929.db2.gz	PPHAJGCRWNDHHO-SSDOTTSWSA-N	0	1	222.248	0.581	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000839712517	585338150	/nfs/dbraw/zinc/33/81/50/585338150.db2.gz	IYMYJEQACLXPQQ-SZEHBUNVSA-N	0	1	237.259	0.802	20	30		BCEDMN
C=CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839782501	585341774	/nfs/dbraw/zinc/34/17/74/585341774.db2.gz	IKWNPQMKQINBDC-HTQZYQBOSA-N	0	1	212.249	0.980	20	30		BCEDMN
C#Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1	ZINC000839781550	585341811	/nfs/dbraw/zinc/34/18/11/585341811.db2.gz	SOLPGSQJDHUJOP-VXGBXAGGSA-N	0	1	244.250	0.949	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839789376	585342274	/nfs/dbraw/zinc/34/22/74/585342274.db2.gz	ZZZUXQBINQEFBX-DJLDLDEBSA-N	0	1	228.248	0.095	20	30		BCEDMN
C#CCCCCNC(=O)CCc1nc[nH]n1	ZINC000758626446	585357860	/nfs/dbraw/zinc/35/78/60/585357860.db2.gz	ASOUCXIYMIPLTG-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
NC(=O)CNN=Cc1cccc(Cl)c1O	ZINC000758887413	585361207	/nfs/dbraw/zinc/36/12/07/585361207.db2.gz	CJLCHHWFPOLKEO-UHFFFAOYSA-N	0	1	227.651	0.454	20	30		BCEDMN
CCc1nc(COC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000760304125	585389831	/nfs/dbraw/zinc/38/98/31/585389831.db2.gz	ZWHDNMASLRMKGO-UHFFFAOYSA-N	0	1	245.242	0.924	20	30		BCEDMN
C#CCCCC(=O)NC[C@H]1CN(C)CCN1C	ZINC000760314605	585389927	/nfs/dbraw/zinc/38/99/27/585389927.db2.gz	QOELUNNMVSFCSH-LBPRGKRZSA-N	0	1	237.347	0.152	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCN(C)[C@H](C)C1	ZINC000761074538	585405283	/nfs/dbraw/zinc/40/52/83/585405283.db2.gz	XGBJGWNFDQQURN-MNOVXSKESA-N	0	1	225.336	0.313	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]2C[C@H]21	ZINC000761082022	585407006	/nfs/dbraw/zinc/40/70/06/585407006.db2.gz	GMVOZYFKEFMSJM-OUAUKWLOSA-N	0	1	221.304	0.841	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)CN1CC[C@@H]2C[C@@H]21	ZINC000761089563	585408034	/nfs/dbraw/zinc/40/80/34/585408034.db2.gz	JEFDBWATNGEVKY-NEPJUHHUSA-N	0	1	246.314	0.737	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@@H]2C[C@@H]21	ZINC000761092049	585408378	/nfs/dbraw/zinc/40/83/78/585408378.db2.gz	WJORBAHRJGLUME-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cnccn2)CN1C	ZINC000761806224	585419018	/nfs/dbraw/zinc/41/90/18/585419018.db2.gz	USAKHRXEJKJSFW-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
CC(C#N)C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC000762044520	585425189	/nfs/dbraw/zinc/42/51/89/585425189.db2.gz	MGYPKLKSPRYHST-RQJHMYQMSA-N	0	1	210.233	0.356	20	30		BCEDMN
COCC#CCOC(=O)Cc1cc(C)[nH]n1	ZINC000762828394	585438091	/nfs/dbraw/zinc/43/80/91/585438091.db2.gz	LVKSHWCWPXLOMP-UHFFFAOYSA-N	0	1	222.244	0.454	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CCC(=O)CC1	ZINC000764122161	585460443	/nfs/dbraw/zinc/46/04/43/585460443.db2.gz	WVRJIYMKOKLUFB-UHFFFAOYSA-N	0	1	210.277	0.296	20	30		BCEDMN
CC(C)S(=O)(=O)C=C(O)NC1=NO[C@H](C)C1	ZINC000765376901	585484809	/nfs/dbraw/zinc/48/48/09/585484809.db2.gz	RHTJNBCFJWQPRS-SSDOTTSWSA-N	0	1	248.304	0.048	20	30		BCEDMN
Cc1nccc(C(=O)NC2=NO[C@@H](C)C2)n1	ZINC000765382730	585484939	/nfs/dbraw/zinc/48/49/39/585484939.db2.gz	FPWUVKHZZBBXRY-LURJTMIESA-N	0	1	220.232	0.637	20	30		BCEDMN
C#CCNC(=S)N1C[C@H](C)N(CC)C[C@H]1C	ZINC000765509190	585488827	/nfs/dbraw/zinc/48/88/27/585488827.db2.gz	BZLHDOMDCPDKFE-WDEREUQCSA-N	0	1	239.388	0.909	20	30		BCEDMN
C1C[C@@H]2C(=NN3CCOCC3)CCN2C1	ZINC000765549252	585489775	/nfs/dbraw/zinc/48/97/75/585489775.db2.gz	SXBATIMXALJAGO-LLVKDONJSA-N	0	1	209.293	0.543	20	30		BCEDMN
C#CCCCN1CCN2C(=O)N(CC)C(=O)[C@H]2C1	ZINC000766907297	585511126	/nfs/dbraw/zinc/51/11/26/585511126.db2.gz	ZDWBIFFKZMGECP-LLVKDONJSA-N	0	1	249.314	0.368	20	30		BCEDMN
C#CCCCN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1	ZINC000766907298	585511180	/nfs/dbraw/zinc/51/11/80/585511180.db2.gz	ZDWBIFFKZMGECP-NSHDSACASA-N	0	1	249.314	0.368	20	30		BCEDMN
C[C@H]1CN(CC(=O)NCCC#N)[C@@H](C)CN1C	ZINC000768765874	585542909	/nfs/dbraw/zinc/54/29/09/585542909.db2.gz	VNXHLHZFULTWOG-QWRGUYRKSA-N	0	1	238.335	0.041	20	30		BCEDMN
C#C[C@H](C)N(C)CCCCS(C)(=O)=O	ZINC000769962232	585567458	/nfs/dbraw/zinc/56/74/58/585567458.db2.gz	CXVSKBZVSWIINC-JTQLQIEISA-N	0	1	217.334	0.765	20	30		BCEDMN
C#C[C@@H](C)N(C)CCn1ccccc1=O	ZINC000769962206	585567461	/nfs/dbraw/zinc/56/74/61/585567461.db2.gz	CDOHIZVUVBRLEX-LLVKDONJSA-N	0	1	204.273	0.802	20	30		BCEDMN
C=CCCOCC(=O)OCc1n[nH]c(C)n1	ZINC000770639749	585578780	/nfs/dbraw/zinc/57/87/80/585578780.db2.gz	ILWMZMJLVWDTCD-UHFFFAOYSA-N	0	1	225.248	0.749	20	30		BCEDMN
C[C@H]1[C@H](C)N(CC(=O)NCCC#N)CCN1C	ZINC000771463834	585594433	/nfs/dbraw/zinc/59/44/33/585594433.db2.gz	ZRPZJBJXUJAMEJ-QWRGUYRKSA-N	0	1	238.335	0.041	20	30		BCEDMN
CC(=NOCC(N)=O)c1ccccc1N(C)C	ZINC000771579440	585597328	/nfs/dbraw/zinc/59/73/28/585597328.db2.gz	XTVJXESUEVTOJG-UHFFFAOYSA-N	0	1	235.287	0.979	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)c2nc[nH]n2)c1	ZINC000772719289	585622181	/nfs/dbraw/zinc/62/21/81/585622181.db2.gz	ZZHYHIQQWQHAHF-UHFFFAOYSA-N	0	1	229.199	0.634	20	30		BCEDMN
C#C[C@@H](NC(=O)c1[nH]nc(C)c1C)[C@H]1CCCO1	ZINC000772883412	585626295	/nfs/dbraw/zinc/62/62/95/585626295.db2.gz	SDHHNMNNZGBSOR-GHMZBOCLSA-N	0	1	247.298	0.937	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cccc(C#N)c1	ZINC000775335166	585675838	/nfs/dbraw/zinc/67/58/38/585675838.db2.gz	FNNWVMIEIPSZFE-LLVKDONJSA-N	0	1	241.294	0.958	20	30		BCEDMN
C#C[C@H](NC/C=C(\C)C(=O)OC)[C@@H]1CCCO1	ZINC000775797842	585685372	/nfs/dbraw/zinc/68/53/72/585685372.db2.gz	GCYKJLPHDOBDGK-SKWDFFSCSA-N	0	1	237.299	0.876	20	30		BCEDMN
CCn1nccc1C(=O)NC1=NO[C@H](C)C1	ZINC000775886663	585687275	/nfs/dbraw/zinc/68/72/75/585687275.db2.gz	RAGDQWPCSCVBCC-SSDOTTSWSA-N	0	1	222.248	0.755	20	30		BCEDMN
C#CCCNC(=O)Cc1n[nH]c2c1CCCC2	ZINC000777224649	585709426	/nfs/dbraw/zinc/70/94/26/585709426.db2.gz	LYVINVKPJCLQIK-UHFFFAOYSA-N	0	1	231.299	0.971	20	30		BCEDMN
CN(C)CCNS(=O)(=O)CC(C)(C)C#N	ZINC000777816550	585720620	/nfs/dbraw/zinc/72/06/20/585720620.db2.gz	YLZQGITUTLXMKD-UHFFFAOYSA-N	0	1	233.337	0.017	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@](CC)(CO)C1	ZINC000778328774	585731614	/nfs/dbraw/zinc/73/16/14/585731614.db2.gz	OPMPGSMBZQFTQK-ZDUSSCGKSA-N	0	1	238.331	0.220	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)cn2)N1	ZINC000779791429	585763634	/nfs/dbraw/zinc/76/36/34/585763634.db2.gz	COCXHPJOXUXKTF-SSDOTTSWSA-N	0	1	219.248	0.058	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)c(O)c2)N1	ZINC000779792370	585763682	/nfs/dbraw/zinc/76/36/82/585763682.db2.gz	MLGKBAJGHWLBTR-ZETCQYMHSA-N	0	1	234.259	0.369	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)cc2)N1	ZINC000779791394	585763816	/nfs/dbraw/zinc/76/38/16/585763816.db2.gz	IPIHNCGXWGVXDF-MRVPVSSYSA-N	0	1	218.260	0.663	20	30		BCEDMN
CCc1nc(C=NNC2=NC[C@H](C)N2)cs1	ZINC000779794228	585764439	/nfs/dbraw/zinc/76/44/39/585764439.db2.gz	FHXPFBPLISJMCT-ZETCQYMHSA-N	0	1	237.332	0.977	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@@H](C)N2)nc1	ZINC000779794960	585764469	/nfs/dbraw/zinc/76/44/69/585764469.db2.gz	NIZFUWARGPSFQL-SECBINFHSA-N	0	1	217.276	0.661	20	30		BCEDMN
CCc1nc(C=NNC2=NC[C@@H](C)N2)cs1	ZINC000779794227	585764507	/nfs/dbraw/zinc/76/45/07/585764507.db2.gz	FHXPFBPLISJMCT-SSDOTTSWSA-N	0	1	237.332	0.977	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cncs2)N1	ZINC000779799505	585764565	/nfs/dbraw/zinc/76/45/65/585764565.db2.gz	UBKRCIBJWKKYOS-LURJTMIESA-N	0	1	209.278	0.414	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc(C#N)c2)N1	ZINC000779800763	585764783	/nfs/dbraw/zinc/76/47/83/585764783.db2.gz	PVYUBJWRIRXPBW-SECBINFHSA-N	0	1	227.271	0.829	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cnn(C)c1C	ZINC000779800756	585764803	/nfs/dbraw/zinc/76/48/03/585764803.db2.gz	PQRDRUXIJJOHJI-ZETCQYMHSA-N	0	1	234.307	0.390	20	30		BCEDMN
c1cc(N=NC2CN3CCC2CC3)ccn1	ZINC000779809467	585765597	/nfs/dbraw/zinc/76/55/97/585765597.db2.gz	JRLGHDXYPFTHHT-UHFFFAOYSA-N	0	1	216.288	0.997	20	30		BCEDMN
COc1ccc(N=NCc2cn(C)nn2)nc1	ZINC000780267945	585776270	/nfs/dbraw/zinc/77/62/70/585776270.db2.gz	OAUPHTOYXZGKKW-UHFFFAOYSA-N	0	1	232.247	0.665	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000780304833	585777590	/nfs/dbraw/zinc/77/75/90/585777590.db2.gz	BEAGFEMRFWXJBS-FYLLDIAZSA-N	0	1	248.282	0.399	20	30		BCEDMN
CC(C)(C#N)COC(=O)CCc1nc[nH]n1	ZINC000781477507	585796825	/nfs/dbraw/zinc/79/68/25/585796825.db2.gz	UXAYLXHVKASBJK-UHFFFAOYSA-N	0	1	222.248	0.830	20	30		BCEDMN
C=CCNC(=S)NCCN1CCCOCC1	ZINC000782210737	585812135	/nfs/dbraw/zinc/81/21/35/585812135.db2.gz	RSVKUHMEQMZSCW-UHFFFAOYSA-N	0	1	243.376	0.359	20	30		BCEDMN
COc1cc(C(C)=NNC2=NC[C@H](C)N2)ccn1	ZINC000782267501	585813547	/nfs/dbraw/zinc/81/35/47/585813547.db2.gz	JQRMTONZXNAYJO-QMMMGPOBSA-N	0	1	247.302	0.752	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784491471	585861314	/nfs/dbraw/zinc/86/13/14/585861314.db2.gz	SVFISBBKGNXZPV-RKDXNWHRSA-N	0	1	244.266	0.452	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)c1[nH]nc2c1CCCC2	ZINC000785153708	585871159	/nfs/dbraw/zinc/87/11/59/585871159.db2.gz	DIBGJQWEJDSOEP-MRVPVSSYSA-N	0	1	249.270	0.984	20	30		BCEDMN
C[C@@H](O)C(=O)Nc1cc(C#N)ccc1O	ZINC000787154224	585902126	/nfs/dbraw/zinc/90/21/26/585902126.db2.gz	HWSGNHHYFBMGBY-ZCFIWIBFSA-N	0	1	206.201	0.583	20	30		BCEDMN
C=CCCN(C)CN1C[C@@H](OC)CC1=O	ZINC000787235084	585903648	/nfs/dbraw/zinc/90/36/48/585903648.db2.gz	LYWHGTVVEZECSQ-JTQLQIEISA-N	0	1	212.293	0.699	20	30		BCEDMN
CCc1nc([C@@H](C)NC(=O)NCCC#N)n[nH]1	ZINC000787359588	585907818	/nfs/dbraw/zinc/90/78/18/585907818.db2.gz	QNYMUYFWLNLMQB-SSDOTTSWSA-N	0	1	236.279	0.641	20	30		BCEDMN
CC#CC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000788282672	585920963	/nfs/dbraw/zinc/92/09/63/585920963.db2.gz	RUDLQQHTCKEAPL-UHFFFAOYSA-N	0	1	227.227	0.829	20	30		BCEDMN
CN(C)c1ccncc1C=NN[C@@H]1CCOC1	ZINC000788452576	585924570	/nfs/dbraw/zinc/92/45/70/585924570.db2.gz	PJAJMIPXJAXPOQ-LLVKDONJSA-N	0	1	234.303	0.860	20	30		BCEDMN
CC(C)N(C)c1ccc(C=NNCC(N)=O)cn1	ZINC000790176677	585959453	/nfs/dbraw/zinc/95/94/53/585959453.db2.gz	TVUFFGOGBOXOEB-UHFFFAOYSA-N	0	1	249.318	0.335	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cc[nH]c(=O)c1	ZINC000790297336	585962402	/nfs/dbraw/zinc/96/24/02/585962402.db2.gz	JIDVXQNSLKLHQZ-ZETCQYMHSA-N	0	1	233.275	0.449	20	30		BCEDMN
Cn1cc[nH+]c1[N-]N=Cc1ccc(O)c(O)c1O	ZINC000790304132	585963412	/nfs/dbraw/zinc/96/34/12/585963412.db2.gz	ZVEPTURFKYIYIY-UHFFFAOYSA-N	0	1	248.242	0.983	20	30		BCEDMN
C[C@@H](NCc1cnc2ccc(C#N)cn12)C(N)=O	ZINC000793590924	586023820	/nfs/dbraw/zinc/02/38/20/586023820.db2.gz	PMWWNJKSXOWVOG-MRVPVSSYSA-N	0	1	243.270	0.169	20	30		BCEDMN
COCCN(C)N=C1CCN2CCC[C@H]12	ZINC000794964183	586058527	/nfs/dbraw/zinc/05/85/27/586058527.db2.gz	YMXCIDNMOOFMIX-LLVKDONJSA-N	0	1	211.309	0.789	20	30		BCEDMN
COC(=O)[C@H]1[C@@H]2CN(CCCC#N)C[C@@H]21	ZINC000794965015	586058651	/nfs/dbraw/zinc/05/86/51/586058651.db2.gz	VFITUXRAMRTSLK-MYJAWHEDSA-N	0	1	208.261	0.641	20	30		BCEDMN
Cc1nc(COC(=O)c2cc(C#N)ccn2)n[nH]1	ZINC000795601488	586088369	/nfs/dbraw/zinc/08/83/69/586088369.db2.gz	TXWQBVDPZWTYDC-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)OCCc1c[nH]nn1	ZINC000797952657	586134685	/nfs/dbraw/zinc/13/46/85/586134685.db2.gz	PUOMMQYFWWZMKJ-UHFFFAOYSA-N	0	1	246.226	0.977	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)OCCc1cnn[nH]1	ZINC000797952657	586134686	/nfs/dbraw/zinc/13/46/86/586134686.db2.gz	PUOMMQYFWWZMKJ-UHFFFAOYSA-N	0	1	246.226	0.977	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@@H](C)CC(C)=O	ZINC000798301070	586142673	/nfs/dbraw/zinc/14/26/73/586142673.db2.gz	NILHKWXJQOQPIG-VIFPVBQESA-N	0	1	212.293	0.588	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)CN(CC)C1CC1	ZINC000799071702	586155668	/nfs/dbraw/zinc/15/56/68/586155668.db2.gz	PTRWSAGWLNBSGF-LBPRGKRZSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)c1[nH]nc2c1CCC2	ZINC000799075473	586155878	/nfs/dbraw/zinc/15/58/78/586155878.db2.gz	KMONFBUNNJOZCJ-VIFPVBQESA-N	0	1	247.298	0.403	20	30		BCEDMN
C#C[C@H](N[C@H]1CCN(CC=C)C1=O)[C@H]1CCCO1	ZINC000799167419	586162979	/nfs/dbraw/zinc/16/29/79/586162979.db2.gz	XVYXCPICBJIIMR-RWMBFGLXSA-N	0	1	248.326	0.544	20	30		BCEDMN
N#CCC1CCN([C@@H]2CCC(=O)NC2=O)CC1	ZINC000799163341	586163378	/nfs/dbraw/zinc/16/33/78/586163378.db2.gz	IXAXULKANQPNJA-SNVBAGLBSA-N	0	1	235.287	0.417	20	30		BCEDMN
C[C@@H](CO)NN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000799481917	586178742	/nfs/dbraw/zinc/17/87/42/586178742.db2.gz	LFKOXSLPWUSEHK-YFKPBYRVSA-N	0	1	236.197	0.733	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C	ZINC000800385750	586215039	/nfs/dbraw/zinc/21/50/39/586215039.db2.gz	DUYYHZJFFHUFOK-IBCQBUCCSA-N	0	1	224.260	0.255	20	30		BCEDMN
C#CCCN1CCC[C@H](S(C)(=O)=O)CC1	ZINC000800456675	586219085	/nfs/dbraw/zinc/21/90/85/586219085.db2.gz	BYZYCIPBFLIJFN-NSHDSACASA-N	0	1	229.345	0.909	20	30		BCEDMN
C#CCCN1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000800456673	586220991	/nfs/dbraw/zinc/22/09/91/586220991.db2.gz	BYZYCIPBFLIJFN-LLVKDONJSA-N	0	1	229.345	0.909	20	30		BCEDMN
CC#CC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000801175285	586245039	/nfs/dbraw/zinc/24/50/39/586245039.db2.gz	LNXUVRGXPSFHAW-MRVPVSSYSA-N	0	1	203.245	0.407	20	30		BCEDMN
Cc1nc(C(=O)N=C2C[C@@H](C)ON2)co1	ZINC000801637854	586267094	/nfs/dbraw/zinc/26/70/94/586267094.db2.gz	KIRKAEDDSZQFRY-RXMQYKEDSA-N	0	1	209.205	0.835	20	30		BCEDMN
C#CCCCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000804172037	586384716	/nfs/dbraw/zinc/38/47/16/586384716.db2.gz	NPGCSMFRIJSGSC-JTQLQIEISA-N	0	1	246.270	0.286	20	30		BCEDMN
C=CCNC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000806277656	586408308	/nfs/dbraw/zinc/40/83/08/586408308.db2.gz	HNJJSTACBPLQLY-LURJTMIESA-N	0	1	209.253	0.659	20	30		BCEDMN
C#CCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000806876897	586419837	/nfs/dbraw/zinc/41/98/37/586419837.db2.gz	HIKWXPBIHUZBPY-MRVPVSSYSA-N	0	1	235.291	0.887	20	30		BCEDMN
C#CCC(CC#C)C(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000807755443	586448754	/nfs/dbraw/zinc/44/87/54/586448754.db2.gz	XQDSTYOWNOLEAT-VIFPVBQESA-N	0	1	244.298	0.953	20	30		BCEDMN
CC(=NNC(=N)N)c1cnnn1-c1ccccc1	ZINC000807962280	586452897	/nfs/dbraw/zinc/45/28/97/586452897.db2.gz	UCKRPXQDOYOBHH-UHFFFAOYSA-N	0	1	243.274	0.474	20	30		BCEDMN
C=CCn1c(SCC(=O)C(C)=O)n[nH]c1=O	ZINC000808025008	586459511	/nfs/dbraw/zinc/45/95/11/586459511.db2.gz	YXFVBQZYMZKZDL-UHFFFAOYSA-N	0	1	241.272	0.420	20	30		BCEDMN
C#CCN1CCN(CCc2ccncc2)CC1	ZINC000809966931	586527454	/nfs/dbraw/zinc/52/74/54/586527454.db2.gz	SMDFYFMQFLSYCH-UHFFFAOYSA-N	0	1	229.327	0.875	20	30		BCEDMN
Cn1cnc(C(=O)Nc2cc(C#N)ccc2O)n1	ZINC000810467408	586539626	/nfs/dbraw/zinc/53/96/26/586539626.db2.gz	QDYVSVCSYVCDNY-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
Cc1nc(COC(=O)c2cccc(C#N)n2)n[nH]1	ZINC000810629435	586543135	/nfs/dbraw/zinc/54/31/35/586543135.db2.gz	IKIHMTNRCYCTDD-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cccc(C#N)n2)NO1	ZINC000810787408	586547197	/nfs/dbraw/zinc/54/71/97/586547197.db2.gz	VGAHAIQOMGEFLD-ZETCQYMHSA-N	0	1	230.227	0.805	20	30		BCEDMN
CC(C)[C@@H](C(=O)OCC1(C#N)COC1)N(C)C	ZINC000811045803	586553609	/nfs/dbraw/zinc/55/36/09/586553609.db2.gz	LPQIGNNIILRMQW-JTQLQIEISA-N	0	1	240.303	0.656	20	30		BCEDMN
CC[C@H](O)CNN=C1CCN2CCC[C@@H]12	ZINC000811652553	586563578	/nfs/dbraw/zinc/56/35/78/586563578.db2.gz	PHBGBWDVOUVNQD-ONGXEEELSA-N	0	1	211.309	0.571	20	30		BCEDMN
C#Cc1ccccc1CC(=O)NCc1nn[nH]n1	ZINC000813448125	586602029	/nfs/dbraw/zinc/60/20/29/586602029.db2.gz	ARNVUFHAAHRCIN-UHFFFAOYSA-N	0	1	241.254	0.040	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840303976	586608930	/nfs/dbraw/zinc/60/89/30/586608930.db2.gz	BAQKDWKDIFEYCR-RKDXNWHRSA-N	0	1	225.248	0.802	20	30		BCEDMN
COc1ccc(NN=Cc2cn(C)[nH]c2=O)nc1	ZINC000814227840	586618430	/nfs/dbraw/zinc/61/84/30/586618430.db2.gz	NVUFZJWYPSOMSO-UHFFFAOYSA-N	0	1	247.258	0.975	20	30		BCEDMN
C=C[C@@H](O)C(=O)OCc1nc(C(C)C)n[nH]1	ZINC000814550131	586624834	/nfs/dbraw/zinc/62/48/34/586624834.db2.gz	KCCBUDWPMOFBEL-SSDOTTSWSA-N	0	1	225.248	0.518	20	30		BCEDMN
C=C[C@@H](O)C(=O)OCc1n[nH]c(C(C)C)n1	ZINC000814550131	586624835	/nfs/dbraw/zinc/62/48/35/586624835.db2.gz	KCCBUDWPMOFBEL-SSDOTTSWSA-N	0	1	225.248	0.518	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2COc3ccccc32)N1	ZINC000814897991	586645498	/nfs/dbraw/zinc/64/54/98/586645498.db2.gz	PGSKQUMKUOGOAO-MRVPVSSYSA-N	0	1	230.271	0.720	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cnnn2C)CN1C1CC1	ZINC000814981310	586663113	/nfs/dbraw/zinc/66/31/13/586663113.db2.gz	BTSYINAUGVXVKN-MRVPVSSYSA-N	0	1	234.307	0.840	20	30		BCEDMN
C=CCOCCN(C)[C@H]1CCCCNC1=O	ZINC000815037123	586664502	/nfs/dbraw/zinc/66/45/02/586664502.db2.gz	FJTIFACVPOWDFK-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N)nc1	ZINC000817338795	586797507	/nfs/dbraw/zinc/79/75/07/586797507.db2.gz	JUDPYQRZGIBLGO-GHMZBOCLSA-N	0	1	234.303	0.891	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC(=O)[O-]	ZINC000817727842	586821621	/nfs/dbraw/zinc/82/16/21/586821621.db2.gz	LOSAUZCPAFXLBL-SECBINFHSA-N	0	1	241.291	0.153	20	30		BCEDMN
C[N@H+](CC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1	ZINC000818402231	586890345	/nfs/dbraw/zinc/89/03/45/586890345.db2.gz	BPXCUPCRGOOUGT-LLVKDONJSA-N	0	1	234.255	0.608	20	30		BCEDMN
C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1CC	ZINC000818969897	586918028	/nfs/dbraw/zinc/91/80/28/586918028.db2.gz	BEQAXSWZPYDDOF-GFCCVEGCSA-N	0	1	239.363	0.657	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)C[C@H]1CC	ZINC000818972713	586919551	/nfs/dbraw/zinc/91/95/51/586919551.db2.gz	YGHGHMOTMFHFHS-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
Cn1ncc(CCCNC[C@@H](C#N)CCC#N)n1	ZINC000819331304	586953183	/nfs/dbraw/zinc/95/31/83/586953183.db2.gz	QILRKWBLLDMYPC-LLVKDONJSA-N	0	1	246.318	0.781	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000820428684	587048167	/nfs/dbraw/zinc/04/81/67/587048167.db2.gz	REZHZFPLMKVDTI-NWDGAFQWSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(CC(C)C)CC1	ZINC000820440349	587049383	/nfs/dbraw/zinc/04/93/83/587049383.db2.gz	IXSYKKJJSCGYCA-LBPRGKRZSA-N	0	1	237.347	0.991	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)=NO1	ZINC000821395522	587116407	/nfs/dbraw/zinc/11/64/07/587116407.db2.gz	WVEDMJHNEBLBFT-XLPZGREQSA-N	0	1	234.259	0.752	20	30		BCEDMN
C[C@H]1CC(NC(=O)CN2CCCC2)=NO1	ZINC000821399564	587116974	/nfs/dbraw/zinc/11/69/74/587116974.db2.gz	MOQATNGGVSMJGT-QMMMGPOBSA-N	0	1	211.265	0.321	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2coc(CO)c2)=NO1	ZINC000821399396	587117473	/nfs/dbraw/zinc/11/74/73/587117473.db2.gz	HGVKBNKBEMKBAK-LURJTMIESA-N	0	1	224.216	0.624	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN1CCCC1	ZINC000821911846	587146542	/nfs/dbraw/zinc/14/65/42/587146542.db2.gz	FRWWZKNKTGHTMK-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
CC(C)(CN1CCOCC1)C(=O)NCCC#N	ZINC000822502174	587172240	/nfs/dbraw/zinc/17/22/40/587172240.db2.gz	LMMUMIWRQAETSO-UHFFFAOYSA-N	0	1	239.319	0.375	20	30		BCEDMN
C#C[C@@H](NC(=O)CCCc1nn[nH]n1)C(C)C	ZINC000822667483	587180252	/nfs/dbraw/zinc/18/02/52/587180252.db2.gz	WRSXIVNMNCKLSS-SECBINFHSA-N	0	1	235.291	0.296	20	30		BCEDMN
C#C[C@H](NC(=O)CN1CCCC1)C(C)C	ZINC000822667318	587180345	/nfs/dbraw/zinc/18/03/45/587180345.db2.gz	VGXRRDOPQVFTIJ-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC1CCC1	ZINC000822814314	587187811	/nfs/dbraw/zinc/18/78/11/587187811.db2.gz	FCPQCJHSLZZVBP-UHFFFAOYSA-N	0	1	244.262	0.317	20	30		BCEDMN
C[C@H](C(=O)NCc1ccc(C#N)cn1)N(C)C	ZINC000822948998	587195219	/nfs/dbraw/zinc/19/52/19/587195219.db2.gz	CYSJDNKADDLEIE-SECBINFHSA-N	0	1	232.287	0.520	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000823132808	587203547	/nfs/dbraw/zinc/20/35/47/587203547.db2.gz	IMSRTFYCMKWVCB-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
CC[C@H]1CN(C)CCN1CC(=O)NCCC#N	ZINC000823199842	587208338	/nfs/dbraw/zinc/20/83/38/587208338.db2.gz	HYZKRPKVSCBNLL-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)CCCc1nn[nH]n1	ZINC000823254824	587211467	/nfs/dbraw/zinc/21/14/67/587211467.db2.gz	DZUBXOBCMXPOGY-NSHDSACASA-N	0	1	235.291	0.441	20	30		BCEDMN
C=CC[C@H](CO)CNCc1nn(CC)nc1C	ZINC000824066008	587253149	/nfs/dbraw/zinc/25/31/49/587253149.db2.gz	KNJUCHUJQHYJKZ-NSHDSACASA-N	0	1	238.335	0.881	20	30		BCEDMN
C=C[C@H](CC)CC(=O)NCc1n[nH]c(=O)n1C	ZINC000824602821	587279101	/nfs/dbraw/zinc/27/91/01/587279101.db2.gz	KAKHNHCFNKQLIM-MRVPVSSYSA-N	0	1	238.291	0.739	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825664489	587330307	/nfs/dbraw/zinc/33/03/07/587330307.db2.gz	BLFPJFDXOZZUKI-ONGXEEELSA-N	0	1	231.267	0.812	20	30		BCEDMN
N#C[C@H](NC(=O)[C@H]1CCCc2n[nH]nc21)C1CC1	ZINC000826936919	587366125	/nfs/dbraw/zinc/36/61/25/587366125.db2.gz	GJUUEZOBGXCUSW-WPRPVWTQSA-N	0	1	245.286	0.643	20	30		BCEDMN
N#C[C@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)C1CC1	ZINC000826936915	587366155	/nfs/dbraw/zinc/36/61/55/587366155.db2.gz	GJUUEZOBGXCUSW-SCZZXKLOSA-N	0	1	245.286	0.643	20	30		BCEDMN
N#C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C1CC1	ZINC000826937905	587366183	/nfs/dbraw/zinc/36/61/83/587366183.db2.gz	WYLCPSRFJZYXSX-CABZTGNLSA-N	0	1	244.298	0.933	20	30		BCEDMN
C[C@@H](CC#N)[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000827217765	587373246	/nfs/dbraw/zinc/37/32/46/587373246.db2.gz	JFRUBQGGAHYVRZ-VIFPVBQESA-N	0	1	241.291	0.153	20	30		BCEDMN
C[C@@H](CC#N)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000827217765	587373247	/nfs/dbraw/zinc/37/32/47/587373247.db2.gz	JFRUBQGGAHYVRZ-VIFPVBQESA-N	0	1	241.291	0.153	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC3CC3)CC2)nc1	ZINC000827425572	587380698	/nfs/dbraw/zinc/38/06/98/587380698.db2.gz	KKJBJDJVBVQWRL-UHFFFAOYSA-N	0	1	242.326	0.990	20	30		BCEDMN
C#C[C@H](NCc1cnnn1C)C1CCOCC1	ZINC000827564619	587388350	/nfs/dbraw/zinc/38/83/50/587388350.db2.gz	DVGHOSMSKNGRLD-LBPRGKRZSA-N	0	1	234.303	0.333	20	30		BCEDMN
C#C[C@@H](NCc1cncnc1)C1CCOCC1	ZINC000827569750	587389104	/nfs/dbraw/zinc/38/91/04/587389104.db2.gz	FQFIJPDYFMRKMQ-CYBMUJFWSA-N	0	1	231.299	0.995	20	30		BCEDMN
CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCCC#N)C1	ZINC000827890628	587407985	/nfs/dbraw/zinc/40/79/85/587407985.db2.gz	SJJQFZDUOBJLFV-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
CN(C(=O)[O-])[C@H]1CC[N@@H+](CCCC#N)C1	ZINC000827890629	587407995	/nfs/dbraw/zinc/40/79/95/587407995.db2.gz	SJJQFZDUOBJLFV-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cc(C=O)n(C)c1	ZINC000827971641	587414139	/nfs/dbraw/zinc/41/41/39/587414139.db2.gz	CPJQPQSQNNKVNU-UHFFFAOYSA-N	0	1	247.298	0.132	20	30		BCEDMN
C=C(Cl)CNC(=O)Cc1n[nH]c(C)n1	ZINC000828214196	587424331	/nfs/dbraw/zinc/42/43/31/587424331.db2.gz	XNEZJSZBFBNYQI-UHFFFAOYSA-N	0	1	214.656	0.524	20	30		BCEDMN
C#C[C@H](NC[C@](C)(O)C(C)=O)[C@@H]1CCCO1	ZINC000828954889	587474688	/nfs/dbraw/zinc/47/46/88/587474688.db2.gz	YBWZIBIAORNGFN-SRVKXCTJSA-N	0	1	225.288	0.097	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COCC(F)F	ZINC000860473452	589101811	/nfs/dbraw/zinc/10/18/11/589101811.db2.gz	YDOQGBCGQVCDHJ-SSDOTTSWSA-N	0	1	248.229	0.502	20	30		BCEDMN
N#CC(C(=O)COCC(F)F)C(=O)NC1CC1	ZINC000860473721	589101884	/nfs/dbraw/zinc/10/18/84/589101884.db2.gz	QQYROOZFGKQOQC-ZETCQYMHSA-N	0	1	246.213	0.256	20	30		BCEDMN
COC1CC(C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000860473130	589102213	/nfs/dbraw/zinc/10/22/13/589102213.db2.gz	ILUQGDNNOKFCEX-GDRRJGKNSA-N	0	1	236.271	0.399	20	30		BCEDMN
CC(C)C#CC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000829335069	587493372	/nfs/dbraw/zinc/49/33/72/587493372.db2.gz	MQEDWAAFDNNOAY-QMMMGPOBSA-N	0	1	206.249	0.641	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2csc(CO)n2)NO1	ZINC000867063098	587505740	/nfs/dbraw/zinc/50/57/40/587505740.db2.gz	NVCSZTFLFIFSJJ-RXMQYKEDSA-N	0	1	241.272	0.488	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cc3ncccn3n2)NO1	ZINC000867063474	587507476	/nfs/dbraw/zinc/50/74/76/587507476.db2.gz	ZGWHIFQSDFCMEJ-ZETCQYMHSA-N	0	1	245.242	0.581	20	30		BCEDMN
CCOC(CN1CC[C@@](O)(CC#N)C1)OCC	ZINC000829992176	587531224	/nfs/dbraw/zinc/53/12/24/587531224.db2.gz	STTGMKSHBLMOKG-LBPRGKRZSA-N	0	1	242.319	0.736	20	30		BCEDMN
C#CC1CCN(CC(=O)NCC=C)CC1	ZINC000830311184	587545564	/nfs/dbraw/zinc/54/55/64/587545564.db2.gz	GVKXMBLOSCBJKV-UHFFFAOYSA-N	0	1	206.289	0.634	20	30		BCEDMN
N#CCC[N@@H+](CCNC(=O)[O-])CC1CC1	ZINC000831097613	587585818	/nfs/dbraw/zinc/58/58/18/587585818.db2.gz	NBGRJNYLDAFOJZ-UHFFFAOYSA-N	0	1	211.265	0.880	20	30		BCEDMN
N#CCC[N@H+](CCNC(=O)[O-])CC1CC1	ZINC000831097613	587585819	/nfs/dbraw/zinc/58/58/19/587585819.db2.gz	NBGRJNYLDAFOJZ-UHFFFAOYSA-N	0	1	211.265	0.880	20	30		BCEDMN
C[C@H]1CC(NC(=O)C2(N(C)C)CC2)=NO1	ZINC000831398646	587601883	/nfs/dbraw/zinc/60/18/83/587601883.db2.gz	DZORPYZOIWOHPN-ZETCQYMHSA-N	0	1	211.265	0.319	20	30		BCEDMN
CCn1cnc(C(=O)N=C2C[C@H](C)ON2)c1	ZINC000831398340	587602904	/nfs/dbraw/zinc/60/29/04/587602904.db2.gz	ACZSRVDLURNUAX-ZETCQYMHSA-N	0	1	222.248	0.755	20	30		BCEDMN
C#CCNC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C	ZINC000832084665	587644789	/nfs/dbraw/zinc/64/47/89/587644789.db2.gz	MTSYGPCTPSGODF-LLVKDONJSA-N	0	1	240.347	0.465	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@@H](CO)CC(C)(C)C	ZINC000832084665	587644790	/nfs/dbraw/zinc/64/47/90/587644790.db2.gz	MTSYGPCTPSGODF-LLVKDONJSA-N	0	1	240.347	0.465	20	30		BCEDMN
C#C[C@@H](NC(=O)C1=NC(=O)N(C)C1)[C@@H]1CCCO1	ZINC000832418414	587658951	/nfs/dbraw/zinc/65/89/51/587658951.db2.gz	OUMRIQYJANFLNY-SCZZXKLOSA-N	0	1	249.270	0.036	20	30		BCEDMN
C#C[C@@H](NC(=O)C1=NC(=O)N(C)C1)[C@H]1CCCO1	ZINC000832418413	587659132	/nfs/dbraw/zinc/65/91/32/587659132.db2.gz	OUMRIQYJANFLNY-PSASIEDQSA-N	0	1	249.270	0.036	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000832425682	587659336	/nfs/dbraw/zinc/65/93/36/587659336.db2.gz	PVTXNUZGWBWWCP-HTQZYQBOSA-N	0	1	218.260	0.363	20	30		BCEDMN
COC[C@@H]1CCCCN1CC(=O)NCCC#N	ZINC000832605784	587669055	/nfs/dbraw/zinc/66/90/55/587669055.db2.gz	OXBHTWBHQLJCCL-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCCC[N@H+](C)[C@@H](COCC)C(=O)[O-]	ZINC000833361697	587707549	/nfs/dbraw/zinc/70/75/49/587707549.db2.gz	HVJXKYAGSZIZHE-JTQLQIEISA-N	0	1	213.277	0.821	20	30		BCEDMN
C#CCCC[N@H+](C)[C@H](COCC)C(=O)[O-]	ZINC000833361698	587707907	/nfs/dbraw/zinc/70/79/07/587707907.db2.gz	HVJXKYAGSZIZHE-SNVBAGLBSA-N	0	1	213.277	0.821	20	30		BCEDMN
C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000833368788	587709147	/nfs/dbraw/zinc/70/91/47/587709147.db2.gz	URXXBYQQPCBXIU-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=C(C)C[N@@H+](C)CCc1cn(CC(=O)[O-])nn1	ZINC000833368258	587709392	/nfs/dbraw/zinc/70/93/92/587709392.db2.gz	FHLXDVTTZRBFMX-UHFFFAOYSA-N	0	1	238.291	0.413	20	30		BCEDMN
CC[N@@H+](CCCC#N)C1CN(C(=O)[O-])C1	ZINC000833858374	587736891	/nfs/dbraw/zinc/73/68/91/587736891.db2.gz	ZNHBILZUFUCUDJ-UHFFFAOYSA-N	0	1	211.265	0.974	20	30		BCEDMN
N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)o1	ZINC000833971237	587741129	/nfs/dbraw/zinc/74/11/29/587741129.db2.gz	BKANMUSDWHXEFD-MRVPVSSYSA-N	0	1	235.243	0.993	20	30		BCEDMN
N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[O-])C2)o1	ZINC000833971237	587741130	/nfs/dbraw/zinc/74/11/30/587741130.db2.gz	BKANMUSDWHXEFD-MRVPVSSYSA-N	0	1	235.243	0.993	20	30		BCEDMN
N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)o1	ZINC000833971238	587741397	/nfs/dbraw/zinc/74/13/97/587741397.db2.gz	BKANMUSDWHXEFD-QMMMGPOBSA-N	0	1	235.243	0.993	20	30		BCEDMN
N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[O-])C2)o1	ZINC000833971238	587741398	/nfs/dbraw/zinc/74/13/98/587741398.db2.gz	BKANMUSDWHXEFD-QMMMGPOBSA-N	0	1	235.243	0.993	20	30		BCEDMN
C#CCN(C)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000834320591	587750773	/nfs/dbraw/zinc/75/07/73/587750773.db2.gz	OIRULJCXAMCJFK-VIFPVBQESA-N	0	1	217.272	0.606	20	30		BCEDMN
C#CCN(C)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000834320590	587751692	/nfs/dbraw/zinc/75/16/92/587751692.db2.gz	OIRULJCXAMCJFK-SECBINFHSA-N	0	1	217.272	0.606	20	30		BCEDMN
C#C[C@H](CC)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000834385312	587754163	/nfs/dbraw/zinc/75/41/63/587754163.db2.gz	DIAAPXDJTAMIKD-RKDXNWHRSA-N	0	1	232.287	0.753	20	30		BCEDMN
CCO[C@H](CC)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834500166	587755955	/nfs/dbraw/zinc/75/59/55/587755955.db2.gz	QOFFOHVFGQQFIN-OPRDCNLKSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1cscc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834479941	587756047	/nfs/dbraw/zinc/75/60/47/587756047.db2.gz	JQGVKUYNERMKRH-WPRPVWTQSA-N	0	1	235.312	0.898	20	30		BCEDMN
C=CCOCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834480236	587756063	/nfs/dbraw/zinc/75/60/63/587756063.db2.gz	NBSXFIACXIFOHP-QWRGUYRKSA-N	0	1	237.303	0.197	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(F)n1	ZINC000834479573	587756069	/nfs/dbraw/zinc/75/60/69/587756069.db2.gz	GEUCNAJHLZFTPD-IONNQARKSA-N	0	1	234.234	0.062	20	30		BCEDMN
CCCc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)[nH]n1	ZINC000834479527	587756159	/nfs/dbraw/zinc/75/61/59/587756159.db2.gz	FKSOEMWNMXRVDI-KWQFWETISA-N	0	1	247.302	0.204	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC12CCCC2	ZINC000834479955	587756165	/nfs/dbraw/zinc/75/61/65/587756165.db2.gz	JWFXRZDJUYGJSH-MXWKQRLJSA-N	0	1	233.315	0.794	20	30		BCEDMN
C=CCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834480180	587756217	/nfs/dbraw/zinc/75/62/17/587756217.db2.gz	MGWPUXBHKKPRON-UWVGGRQHSA-N	0	1	207.277	0.570	20	30		BCEDMN
Cc1cc(F)ccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834480229	587756245	/nfs/dbraw/zinc/75/62/45/587756245.db2.gz	MYWCCALRECBZEY-BXKDBHETSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC[C@H]1CCOC1	ZINC000834479740	587756247	/nfs/dbraw/zinc/75/62/47/587756247.db2.gz	IACCWMVESMYHHY-AXFHLTTASA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1cccnc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834479236	587756270	/nfs/dbraw/zinc/75/62/70/587756270.db2.gz	BHPVJTOUNFWITO-ZJUUUORDSA-N	0	1	230.271	0.231	20	30		BCEDMN
C=CCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834480181	587756312	/nfs/dbraw/zinc/75/63/12/587756312.db2.gz	MGWPUXBHKKPRON-VHSXEESVSA-N	0	1	207.277	0.570	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C(C1CC1)C1CC1	ZINC000834480794	587756324	/nfs/dbraw/zinc/75/63/24/587756324.db2.gz	WFTGLVQWPLASPM-GHMZBOCLSA-N	0	1	233.315	0.650	20	30		BCEDMN
CCCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1	ZINC000834481054	587756351	/nfs/dbraw/zinc/75/63/51/587756351.db2.gz	ZNKANIHVGHEIJV-UWVGGRQHSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1F	ZINC000834480832	587756436	/nfs/dbraw/zinc/75/64/36/587756436.db2.gz	WWKAEYHCMDDBLG-MWLCHTKSSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC[C@H](C)OCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834480407	587756442	/nfs/dbraw/zinc/75/64/42/587756442.db2.gz	PPJXQOUVANBDNI-IVZWLZJFSA-N	0	1	225.292	0.029	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCC1CCC1	ZINC000834480729	587756450	/nfs/dbraw/zinc/75/64/50/587756450.db2.gz	VJKNORPEBZJBCI-QWRGUYRKSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1cc(F)cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834480458	587756472	/nfs/dbraw/zinc/75/64/72/587756472.db2.gz	QGPRUJSSWCCXEI-JQWIXIFHSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccncc1F	ZINC000834488434	587756644	/nfs/dbraw/zinc/75/66/44/587756644.db2.gz	CJNAVNJKTKPRNU-OIBJUYFYSA-N	0	1	234.234	0.062	20	30		BCEDMN
CC(C)n1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)n1	ZINC000834488941	587756776	/nfs/dbraw/zinc/75/67/76/587756776.db2.gz	HWOHOMLTPLYIQN-GXSJLCMTSA-N	0	1	247.302	0.305	20	30		BCEDMN
CCc1ocnc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834489211	587756948	/nfs/dbraw/zinc/75/69/48/587756948.db2.gz	KSYRRDHIAMJERF-HTQZYQBOSA-N	0	1	234.259	0.078	20	30		BCEDMN
CCCCOCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834490993	587757024	/nfs/dbraw/zinc/75/70/24/587757024.db2.gz	ZEDTVSDJDPMGCA-UWVGGRQHSA-N	0	1	225.292	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1cccc(N)c1	ZINC000834493819	587757213	/nfs/dbraw/zinc/75/72/13/587757213.db2.gz	HSPLABXRCLMNEE-PWSUYJOCSA-N	0	1	244.298	0.039	20	30		BCEDMN
Cc1cncc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834490536	587757229	/nfs/dbraw/zinc/75/72/29/587757229.db2.gz	VQRWPFIGZZPSKP-MNOVXSKESA-N	0	1	230.271	0.231	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCOCC1	ZINC000834494107	587757266	/nfs/dbraw/zinc/75/72/66/587757266.db2.gz	KGABZBPQESANHQ-UWVGGRQHSA-N	0	1	237.303	0.031	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@H]2C#N)no1	ZINC000834498879	587757288	/nfs/dbraw/zinc/75/72/88/587757288.db2.gz	CNSAWMMWTUQLJD-SCZZXKLOSA-N	0	1	248.286	0.639	20	30		BCEDMN
C[C@H](CC(=O)N[C@H]1CNC[C@@H]1C#N)C1CC1	ZINC000834495427	587757464	/nfs/dbraw/zinc/75/74/64/587757464.db2.gz	VMHHAAKSQSRSMT-MIMYLULJSA-N	0	1	221.304	0.650	20	30		BCEDMN
CCCCO[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834495434	587757505	/nfs/dbraw/zinc/75/75/05/587757505.db2.gz	VOJTVWPQLAHOCZ-OUAUKWLOSA-N	0	1	239.319	0.419	20	30		BCEDMN
CCn1nc(C)cc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834494520	587757526	/nfs/dbraw/zinc/75/75/26/587757526.db2.gz	NRPQIPNIHBBYFC-ZJUUUORDSA-N	0	1	247.302	0.053	20	30		BCEDMN
Cc1nscc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834499434	587757620	/nfs/dbraw/zinc/75/76/20/587757620.db2.gz	IKXCYEXMYGSEGE-VXNVDRBHSA-N	0	1	236.300	0.293	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)cn1	ZINC000834499831	587757894	/nfs/dbraw/zinc/75/78/94/587757894.db2.gz	NGXFOOLLHXKLNB-XCBNKYQSSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CCCCC1	ZINC000834505426	587757977	/nfs/dbraw/zinc/75/79/77/587757977.db2.gz	KPEJICRMELOTKQ-WDEREUQCSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccccc1N	ZINC000834505856	587757997	/nfs/dbraw/zinc/75/79/97/587757997.db2.gz	OSUFFFQOIGMRSG-CMPLNLGQSA-N	0	1	244.298	0.039	20	30		BCEDMN
CCOCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1	ZINC000834506307	587758111	/nfs/dbraw/zinc/75/81/11/587758111.db2.gz	RVWBIGXMXPTCGK-UWVGGRQHSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccsc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834506696	587758128	/nfs/dbraw/zinc/75/81/28/587758128.db2.gz	VGHLYIKPYVNJRA-IUCAKERBSA-N	0	1	235.312	0.898	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834510903	587758154	/nfs/dbraw/zinc/75/81/54/587758154.db2.gz	GYAXCGRNGZLXPW-NEPJUHHUSA-N	0	1	229.283	0.836	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC1CCCC1	ZINC000834512186	587758196	/nfs/dbraw/zinc/75/81/96/587758196.db2.gz	SQMWFYVMJYOPDZ-MNOVXSKESA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1ccsc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834506694	587758348	/nfs/dbraw/zinc/75/83/48/587758348.db2.gz	VGHLYIKPYVNJRA-BDAKNGLRSA-N	0	1	235.312	0.898	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccc(F)cc1	ZINC000834510338	587758366	/nfs/dbraw/zinc/75/83/66/587758366.db2.gz	AHSDYRRUXCOREO-ZYHUDNBSSA-N	0	1	247.273	0.596	20	30		BCEDMN
COCc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1	ZINC000834517583	587758505	/nfs/dbraw/zinc/75/85/05/587758505.db2.gz	XHHDKDREQOSLCO-WCBMZHEXSA-N	0	1	249.270	0.267	20	30		BCEDMN
CC(C)OCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834517806	587758548	/nfs/dbraw/zinc/75/85/48/587758548.db2.gz	ZJHXRBIBHHYTAQ-NXEZZACHSA-N	0	1	225.292	0.029	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)o1	ZINC000834517710	587758602	/nfs/dbraw/zinc/75/86/02/587758602.db2.gz	YMFOAKOMSPVLIX-BQBZGAKWSA-N	0	1	239.662	0.774	20	30		BCEDMN
Cc1ccccc1CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834512501	587758674	/nfs/dbraw/zinc/75/86/74/587758674.db2.gz	XYWZKEWHAGKEDB-STQMWFEESA-N	0	1	243.310	0.765	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ccncn1	ZINC000835001892	587777110	/nfs/dbraw/zinc/77/71/10/587777110.db2.gz	LITNIPGAAICAMM-MRVPVSSYSA-N	0	1	205.265	0.826	20	30		BCEDMN
CC[C@H](C)N1CCN(C(=O)C=NOC)CC1	ZINC000837004264	587847358	/nfs/dbraw/zinc/84/73/58/587847358.db2.gz	GLWADMCSHUSURE-JTQLQIEISA-N	0	1	227.308	0.561	20	30		BCEDMN
O=C(C#CC1CC1)N1CCN(CC2CC2)CC1	ZINC000837355015	587868794	/nfs/dbraw/zinc/86/87/94/587868794.db2.gz	YBTGETSOKRLFKT-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C=CCOCCOC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840675405	587916121	/nfs/dbraw/zinc/91/61/21/587916121.db2.gz	XPZJWWSXRFRILZ-HTQZYQBOSA-N	0	1	215.205	0.397	20	30		BCEDMN
N#CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC000840673911	587916397	/nfs/dbraw/zinc/91/63/97/587916397.db2.gz	CVYVZLWZJVJKTM-HTQZYQBOSA-N	0	1	224.216	0.889	20	30		BCEDMN
Cc1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)nc1	ZINC000841184053	587948336	/nfs/dbraw/zinc/94/83/36/587948336.db2.gz	ZDLNTOFEQBBEGO-NXEZZACHSA-N	0	1	245.286	0.623	20	30		BCEDMN
Cc1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)nc1	ZINC000841184056	587948484	/nfs/dbraw/zinc/94/84/84/587948484.db2.gz	ZDLNTOFEQBBEGO-UWVGGRQHSA-N	0	1	245.286	0.623	20	30		BCEDMN
CCn1nncc1C=NNc1ccc(C)nn1	ZINC000841623130	587960953	/nfs/dbraw/zinc/96/09/53/587960953.db2.gz	FJFSVMIMNHNNAC-UHFFFAOYSA-N	0	1	231.263	0.842	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc2c(c1)CCO2	ZINC000841658549	587968855	/nfs/dbraw/zinc/96/88/55/587968855.db2.gz	FMFWUIHGZIAWJJ-UHFFFAOYSA-N	0	1	244.298	0.894	20	30		BCEDMN
CCOc1cc(C=NNC2=NCCN2)ccc1O	ZINC000841660169	587969306	/nfs/dbraw/zinc/96/93/06/587969306.db2.gz	DIUPGBLTPYENGT-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(O)cc1F	ZINC000841660461	587969717	/nfs/dbraw/zinc/96/97/17/587969717.db2.gz	YOVYGQZTGBMEPJ-UHFFFAOYSA-N	0	1	236.250	0.804	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc2c(c1)COC2	ZINC000841660445	587969767	/nfs/dbraw/zinc/96/97/67/587969767.db2.gz	XYGWULISPNNEJQ-UHFFFAOYSA-N	0	1	244.298	0.990	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)c(C)[nH]1	ZINC000841661264	587970002	/nfs/dbraw/zinc/97/00/02/587970002.db2.gz	LXSDNJWDAFZWJR-UHFFFAOYSA-N	0	1	205.265	0.514	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccccc1[N+](=O)[O-]	ZINC000841661079	587970112	/nfs/dbraw/zinc/97/01/12/587970112.db2.gz	JSZJFRIIGMEYGZ-UHFFFAOYSA-N	0	1	247.258	0.868	20	30		BCEDMN
CC(C)(C#N)COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842330667	588018305	/nfs/dbraw/zinc/01/83/05/588018305.db2.gz	ASPSLJZRQIFGEA-RNFRBKRXSA-N	0	1	212.205	0.745	20	30		BCEDMN
CC[C@H](CC#N)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842342859	588019689	/nfs/dbraw/zinc/01/96/89/588019689.db2.gz	OWQWFAIAGWZJKY-BWZBUEFSSA-N	0	1	212.205	0.887	20	30		BCEDMN
Cn1ncnc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1	ZINC000842529087	588033866	/nfs/dbraw/zinc/03/38/66/588033866.db2.gz	OIXPUTCXAZEZCH-DTORHVGOSA-N	0	1	247.306	0.009	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1cccc(Cl)c1	ZINC000843080697	588078670	/nfs/dbraw/zinc/07/86/70/588078670.db2.gz	ZMYBYDRICHGDPG-GFCCVEGCSA-N	0	1	239.702	0.959	20	30		BCEDMN
Cc1ccccc1[C@@H](O)CNCC#CCO	ZINC000843079948	588080182	/nfs/dbraw/zinc/08/01/82/588080182.db2.gz	OGZGPGXNKRMKOC-ZDUSSCGKSA-N	0	1	219.284	0.614	20	30		BCEDMN
C#CC[C@H]1NC(=O)N(Cc2cn[nH]c2C)C1=O	ZINC000843307947	588098539	/nfs/dbraw/zinc/09/85/39/588098539.db2.gz	UNKLASFPGSWCJP-SECBINFHSA-N	0	1	232.243	0.162	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/C1CCOCC1	ZINC000843459964	588112304	/nfs/dbraw/zinc/11/23/04/588112304.db2.gz	JXCLDYMCPRBARF-HHDBNCKJSA-N	0	1	249.314	0.197	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\C1CCOCC1	ZINC000843459973	588112498	/nfs/dbraw/zinc/11/24/98/588112498.db2.gz	JXCLDYMCPRBARF-VHYYUZIWSA-N	0	1	249.314	0.197	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)c1ccccn1	ZINC000843461506	588112530	/nfs/dbraw/zinc/11/25/30/588112530.db2.gz	VDKOJGDDUPBGPE-UMNHJUIQSA-N	0	1	244.298	0.413	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000845616509	588236502	/nfs/dbraw/zinc/23/65/02/588236502.db2.gz	KMLFCXABGXXDBN-RQJHMYQMSA-N	0	1	239.279	0.979	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@H](C)c1nnc[nH]1	ZINC000845623652	588237605	/nfs/dbraw/zinc/23/76/05/588237605.db2.gz	JLJZZUZPKZUZLN-RNFRBKRXSA-N	0	1	225.252	0.671	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cnc3cccnn32)=NO1	ZINC000845899326	588249716	/nfs/dbraw/zinc/24/97/16/588249716.db2.gz	AZBRKGHJZTZINY-ZETCQYMHSA-N	0	1	245.242	0.581	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cnc3cccnn32)=NO1	ZINC000845899325	588249747	/nfs/dbraw/zinc/24/97/47/588249747.db2.gz	AZBRKGHJZTZINY-SSDOTTSWSA-N	0	1	245.242	0.581	20	30		BCEDMN
C=C(C)CO[N-]C(=O)C[N@H+](C)C(C)C	ZINC000846539576	588272578	/nfs/dbraw/zinc/27/25/78/588272578.db2.gz	JJKAXXOIPUHUMU-UHFFFAOYSA-N	0	1	200.282	0.951	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[N@H+](C)CCC	ZINC000846545473	588273884	/nfs/dbraw/zinc/27/38/84/588273884.db2.gz	OMXDLBTZGGHERQ-VIFPVBQESA-N	0	1	200.282	0.951	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC000846549575	588275193	/nfs/dbraw/zinc/27/51/93/588275193.db2.gz	ZERDTORCBHRATJ-NXEZZACHSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@H]1C[N@@H+](CC)CCO1	ZINC000846549575	588275194	/nfs/dbraw/zinc/27/51/94/588275194.db2.gz	ZERDTORCBHRATJ-NXEZZACHSA-N	0	1	228.292	0.329	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/C1CCCC1	ZINC000846678918	588282265	/nfs/dbraw/zinc/28/22/65/588282265.db2.gz	XJUYUWNPHZSSHD-AIIUZBJTSA-N	0	1	233.315	0.961	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/C1CCCC1	ZINC000846678921	588282322	/nfs/dbraw/zinc/28/23/22/588282322.db2.gz	XJUYUWNPHZSSHD-IEVRTODYSA-N	0	1	233.315	0.961	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\C1CCCC1	ZINC000846678920	588282371	/nfs/dbraw/zinc/28/23/71/588282371.db2.gz	XJUYUWNPHZSSHD-GKKDLHFNSA-N	0	1	233.315	0.961	20	30		BCEDMN
C=CCN(CCOC)C[C@H]1CN(CC)C(=O)O1	ZINC000846874272	588294126	/nfs/dbraw/zinc/29/41/26/588294126.db2.gz	YAIWBCSPMOOCSH-NSHDSACASA-N	0	1	242.319	0.962	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000847025147	588303622	/nfs/dbraw/zinc/30/36/22/588303622.db2.gz	BRLGNPHHKBXHGP-GFCCVEGCSA-N	0	1	236.315	0.190	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NCCOCC)C1	ZINC000847024510	588303961	/nfs/dbraw/zinc/30/39/61/588303961.db2.gz	JQYNBZNJBDXKHP-GFCCVEGCSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000848035546	588349254	/nfs/dbraw/zinc/34/92/54/588349254.db2.gz	XVKWTPQLETWREP-ZYHUDNBSSA-N	0	1	249.314	0.479	20	30		BCEDMN
C=C(C)CO[N-]C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000848244426	588367044	/nfs/dbraw/zinc/36/70/44/588367044.db2.gz	HUZVWBDPJNNKOL-JTQLQIEISA-N	0	1	212.293	0.952	20	30		BCEDMN
OCCNN=C1CCCN2CCCC[C@@H]12	ZINC000848410511	588380190	/nfs/dbraw/zinc/38/01/90/588380190.db2.gz	QAFKRHRFCLZJJV-NSHDSACASA-N	0	1	211.309	0.573	20	30		BCEDMN
C[C@H](CC#N)C(=O)OCCc1c[nH]nn1	ZINC000850859772	588570835	/nfs/dbraw/zinc/57/08/35/588570835.db2.gz	VFJZAXNUVSVEQL-SSDOTTSWSA-N	0	1	208.221	0.440	20	30		BCEDMN
C[C@H](CC#N)C(=O)OCCc1cnn[nH]1	ZINC000850859772	588570836	/nfs/dbraw/zinc/57/08/36/588570836.db2.gz	VFJZAXNUVSVEQL-SSDOTTSWSA-N	0	1	208.221	0.440	20	30		BCEDMN
C#CCOCCN(CC)CC(=O)NCC	ZINC000851715891	588616023	/nfs/dbraw/zinc/61/60/23/588616023.db2.gz	FDDPNCDICOITFQ-UHFFFAOYSA-N	0	1	212.293	0.094	20	30		BCEDMN
C#CCN(CC#CC)C[C@H]1CNC(=O)C1	ZINC000851785316	588628437	/nfs/dbraw/zinc/62/84/37/588628437.db2.gz	PMJRHPBAPHDWPF-LLVKDONJSA-N	0	1	204.273	0.081	20	30		BCEDMN
C#CCN(CC#C)[C@@H](C)c1n[nH]c(CC)n1	ZINC000851793448	588629093	/nfs/dbraw/zinc/62/90/93/588629093.db2.gz	DKVJGFYAURSZNG-JTQLQIEISA-N	0	1	216.288	0.997	20	30		BCEDMN
C#CCN(CC#C)C[C@H](OC)[C@@H]1CCOC1	ZINC000851793676	588629457	/nfs/dbraw/zinc/62/94/57/588629457.db2.gz	GWJLNMGISGVHCV-OLZOCXBDSA-N	0	1	221.300	0.606	20	30		BCEDMN
C#CCOCCN1CCOC2(CCOCC2)C1	ZINC000851816470	588633187	/nfs/dbraw/zinc/63/31/87/588633187.db2.gz	HHJFTOSHFWCOEO-UHFFFAOYSA-N	0	1	239.315	0.518	20	30		BCEDMN
C#CCOCCN(CCO)Cc1cccnc1	ZINC000851814402	588633200	/nfs/dbraw/zinc/63/32/00/588633200.db2.gz	OOAWATGALXXAKD-UHFFFAOYSA-N	0	1	234.299	0.526	20	30		BCEDMN
C#CCOCCN1CCOCC12CCC2	ZINC000851860499	588636028	/nfs/dbraw/zinc/63/60/28/588636028.db2.gz	AVELXVQTTOVGKN-UHFFFAOYSA-N	0	1	209.289	0.891	20	30		BCEDMN
C=C(C)C[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851909360	588642293	/nfs/dbraw/zinc/64/22/93/588642293.db2.gz	CJBISXXXAIWYJD-CQSZACIVSA-N	0	1	248.326	0.867	20	30		BCEDMN
C#C[C@H](NC[C@H](O)c1ccccn1)[C@H]1CCCO1	ZINC000851949597	588646891	/nfs/dbraw/zinc/64/68/91/588646891.db2.gz	GPOBDZODDTVJPW-FPMFFAJLSA-N	0	1	246.310	0.885	20	30		BCEDMN
C#CCOCCN(CC)C[C@H](O)C(F)(F)F	ZINC000851955328	588647390	/nfs/dbraw/zinc/64/73/90/588647390.db2.gz	FTCDEVSDQIUIEA-VIFPVBQESA-N	0	1	239.237	0.881	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851989962	588652273	/nfs/dbraw/zinc/65/22/73/588652273.db2.gz	MILLVKYVISPJDD-SMDDNHRTSA-N	0	1	246.310	0.313	20	30		BCEDMN
C#CCOCCN[C@@H](c1nncn1C)C(C)C	ZINC000852040077	588657037	/nfs/dbraw/zinc/65/70/37/588657037.db2.gz	QIYSIJIAWVRRPX-LLVKDONJSA-N	0	1	236.319	0.752	20	30		BCEDMN
C#CC[C@@H]1CCCN([C@@H]2CON(CC)C2=O)C1	ZINC000852206498	588671697	/nfs/dbraw/zinc/67/16/97/588671697.db2.gz	KWIDNCLIPCYRDJ-VXGBXAGGSA-N	0	1	236.315	0.884	20	30		BCEDMN
CC#CCN1CCC2=C(CCC(=O)N2)C1	ZINC000852296840	588676870	/nfs/dbraw/zinc/67/68/70/588676870.db2.gz	BSGACUTXIHICMG-UHFFFAOYSA-N	0	1	204.273	0.880	20	30		BCEDMN
COCC#CC[N@H+]1CCC2=C(CCC(=O)N2)C1	ZINC000852296729	588677224	/nfs/dbraw/zinc/67/72/24/588677224.db2.gz	AIONDRNZSPYLHV-UHFFFAOYSA-N	0	1	234.299	0.506	20	30		BCEDMN
COCC#CCN1CCC2=C(CCC(=O)N2)C1	ZINC000852296729	588677225	/nfs/dbraw/zinc/67/72/25/588677225.db2.gz	AIONDRNZSPYLHV-UHFFFAOYSA-N	0	1	234.299	0.506	20	30		BCEDMN
C[C@@H](C#N)OCC[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000852313719	588677999	/nfs/dbraw/zinc/67/79/99/588677999.db2.gz	LXITUFJQDCFFIJ-RYUDHWBXSA-N	0	1	249.318	0.529	20	30		BCEDMN
C#CCCN(CCOC)CCn1ccccc1=O	ZINC000852751178	588700156	/nfs/dbraw/zinc/70/01/56/588700156.db2.gz	RSYDWGNUDKKQQN-UHFFFAOYSA-N	0	1	248.326	0.820	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1ccns1	ZINC000863105653	589256742	/nfs/dbraw/zinc/25/67/42/589256742.db2.gz	WYMWZPZPGRSNMT-LURJTMIESA-N	0	1	223.305	0.804	20	30		BCEDMN
CCC(=NNCC(N)=O)c1ccc(N)cc1	ZINC000863108423	589257566	/nfs/dbraw/zinc/25/75/66/589257566.db2.gz	RFFKMQXKJNHSJL-UHFFFAOYSA-N	0	1	220.276	0.458	20	30		BCEDMN
O=C1CN=C(NN=C2CCC[N@H+]3CCCC[C@H]23)N1	ZINC000863176657	589268470	/nfs/dbraw/zinc/26/84/70/589268470.db2.gz	YYAQYWAVHNEYND-SNVBAGLBSA-N	0	1	249.318	0.066	20	30		BCEDMN
O=c1ccn(N=C2CCN3CCC[C@@H]23)c(=O)[nH]1	ZINC000863184834	589269667	/nfs/dbraw/zinc/26/96/67/589269667.db2.gz	LJIQBMPPBBGXQY-VIFPVBQESA-N	0	1	234.259	0.021	20	30		BCEDMN
COCC(COC)NN=Cc1[nH]cnc1C	ZINC000863195214	589270175	/nfs/dbraw/zinc/27/01/75/589270175.db2.gz	RYESWOAALDNSMF-UHFFFAOYSA-N	0	1	226.280	0.303	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864905015	589400476	/nfs/dbraw/zinc/40/04/76/589400476.db2.gz	UKRVBNNLVHFFDP-WCBMZHEXSA-N	0	1	236.275	0.451	20	30		BCEDMN
CC(C)CN(CCC#N)C(=O)Cc1ncn[nH]1	ZINC000865026870	589405447	/nfs/dbraw/zinc/40/54/47/589405447.db2.gz	BGOHAHKDTBMKEP-UHFFFAOYSA-N	0	1	235.291	0.745	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)[C@H](O)c1c[nH]cn1	ZINC000865164638	589412341	/nfs/dbraw/zinc/41/23/41/589412341.db2.gz	LDAPCSNMDNLCCB-LLVKDONJSA-N	0	1	248.286	0.595	20	30		BCEDMN
C=CC[C@H](CO)CNCc1cn(CCC)nn1	ZINC000865519536	589442774	/nfs/dbraw/zinc/44/27/74/589442774.db2.gz	ALIBURRXJQLXMQ-NSHDSACASA-N	0	1	238.335	0.962	20	30		BCEDMN
C=C(Cl)CNC(=O)Cc1nnc[nH]1	ZINC000865962258	589470537	/nfs/dbraw/zinc/47/05/37/589470537.db2.gz	ZQQAOVMMWNMKAU-UHFFFAOYSA-N	0	1	200.629	0.216	20	30		BCEDMN
C#CCN(C(=O)[C@@H](O)c1c[nH]cn1)C1CCCC1	ZINC000866511117	589498361	/nfs/dbraw/zinc/49/83/61/589498361.db2.gz	MXEFACOFWSTBLT-LBPRGKRZSA-N	0	1	247.298	0.848	20	30		BCEDMN
CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21	ZINC000867953225	589541534	/nfs/dbraw/zinc/54/15/34/589541534.db2.gz	QOVQESIMHFJWLY-LBPRGKRZSA-N	0	1	229.283	0.881	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCCO1	ZINC000121999981	589547160	/nfs/dbraw/zinc/54/71/60/589547160.db2.gz	RTGOPVZEONDHFB-ZJUUUORDSA-N	0	1	238.287	0.789	20	30		BCEDMN
C=C(C)CONC(=O)CCc1c[nH]nn1	ZINC000869154482	589590798	/nfs/dbraw/zinc/59/07/98/589590798.db2.gz	TUIBTDNYERRCAD-UHFFFAOYSA-N	0	1	210.237	0.361	20	30		BCEDMN
C=C(C)CONC(=O)CCc1cnn[nH]1	ZINC000869154482	589590799	/nfs/dbraw/zinc/59/07/99/589590799.db2.gz	TUIBTDNYERRCAD-UHFFFAOYSA-N	0	1	210.237	0.361	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869187520	589592374	/nfs/dbraw/zinc/59/23/74/589592374.db2.gz	TXOQZDDYXXAWAL-MWLCHTKSSA-N	0	1	233.271	0.315	20	30		BCEDMN
C#CCONC(=O)Cc1cn2cc(C)sc2n1	ZINC000869254290	589594447	/nfs/dbraw/zinc/59/44/47/589594447.db2.gz	UXZYQGIFCHQQQH-UHFFFAOYSA-N	0	1	249.295	0.928	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000869254760	589594642	/nfs/dbraw/zinc/59/46/42/589594642.db2.gz	VUSFEKKYRGQULE-XVKPBYJWSA-N	0	1	234.259	0.346	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869393594	589603001	/nfs/dbraw/zinc/60/30/01/589603001.db2.gz	OCZLKOJDRBYGGT-GXSJLCMTSA-N	0	1	233.271	0.315	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)/C=C\COC	ZINC000870194095	589648438	/nfs/dbraw/zinc/64/84/38/589648438.db2.gz	IRUUEWXXOCZROR-SMYYYNMVSA-N	0	1	237.299	0.830	20	30		BCEDMN
C[N@H+]1CC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870689931	589684327	/nfs/dbraw/zinc/68/43/27/589684327.db2.gz	DVOCSKRMUJOUBR-LLVKDONJSA-N	0	1	245.282	0.920	20	30		BCEDMN
C=CCONC(=O)N=c1nc(C)[nH]n1CC	ZINC000888541030	589692479	/nfs/dbraw/zinc/69/24/79/589692479.db2.gz	INRSAXNALQPFLE-UHFFFAOYSA-N	0	1	225.252	0.267	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2	ZINC000872288013	589906338	/nfs/dbraw/zinc/90/63/38/589906338.db2.gz	RVCSKMPSOILKGM-WGBDABJCSA-N	0	1	249.314	0.173	20	30		BCEDMN
COc1ccnc(N=NC2CCN(C)[C@@H]2C)n1	ZINC000872342084	589915286	/nfs/dbraw/zinc/91/52/86/589915286.db2.gz	HWMSCYKPUMVDMW-MRVPVSSYSA-N	0	1	235.291	0.977	20	30		BCEDMN
C[C@@H]1C(N=Nc2cccnn2)CCN1C	ZINC000872352908	589916096	/nfs/dbraw/zinc/91/60/96/589916096.db2.gz	MCQVNLFMHTVYBD-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H]1C(N=NC2=N[C@H]3CCCC[C@@H]3N2)CCN1C	ZINC000872359769	589918947	/nfs/dbraw/zinc/91/89/47/589918947.db2.gz	ORSTZSFWUNPRIT-USWWRNFRSA-N	0	1	249.362	0.926	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnsc2)N1	ZINC000872365027	589920867	/nfs/dbraw/zinc/92/08/67/589920867.db2.gz	ZPNKEXUZQVDHQF-LURJTMIESA-N	0	1	209.278	0.414	20	30		BCEDMN
C[C@H](O)CNN=Cc1ccc(F)c(F)c1O	ZINC000872377698	589926250	/nfs/dbraw/zinc/92/62/50/589926250.db2.gz	IGSZMGNMMGZYDC-LURJTMIESA-N	0	1	230.214	0.975	20	30		BCEDMN
Cc1ccc(C=NNC2=NCCN2)c(O)c1	ZINC000872385378	589929131	/nfs/dbraw/zinc/92/91/31/589929131.db2.gz	GCHKGFZQEWTULL-UHFFFAOYSA-N	0	1	218.260	0.583	20	30		BCEDMN
Cc1ccnc(N)c1C=NN(C)C[C@H](C)O	ZINC000872385639	589929204	/nfs/dbraw/zinc/92/92/04/589929204.db2.gz	KPZJJANCBGRJFS-VIFPVBQESA-N	0	1	222.292	0.619	20	30		BCEDMN
c1cnc2c(c1)C(=NNC1=NCCN1)CCC2	ZINC000872385723	589929413	/nfs/dbraw/zinc/92/94/13/589929413.db2.gz	NRYLXHKLOVDUSB-UHFFFAOYSA-N	0	1	229.287	0.671	20	30		BCEDMN
C#CCNC(=O)C(C)(C)CN1CCOCC1	ZINC000873821248	590073413	/nfs/dbraw/zinc/07/34/13/590073413.db2.gz	GVLSBASLAGHMDQ-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000125100504	590120327	/nfs/dbraw/zinc/12/03/27/590120327.db2.gz	HNRLXVKXCNNOQL-LPEHRKFASA-N	0	1	238.287	0.504	20	30		BCEDMN
COC1(CC(=O)N[C@@H]2CNC[C@@H]2C#N)CCC1	ZINC000876802152	590243121	/nfs/dbraw/zinc/24/31/21/590243121.db2.gz	MDTBBWCMISILAR-VHSXEESVSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CCC=CCC1	ZINC000876801305	590243166	/nfs/dbraw/zinc/24/31/66/590243166.db2.gz	AUIBVLQOEJZZDJ-NWDGAFQWSA-N	0	1	233.315	0.961	20	30		BCEDMN
CCO[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C1CC1	ZINC000876801819	590243350	/nfs/dbraw/zinc/24/33/50/590243350.db2.gz	JHUVUOAZBSUYIX-VWYCJHECSA-N	0	1	237.303	0.029	20	30		BCEDMN
CC/C=C(\F)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876802538	590243732	/nfs/dbraw/zinc/24/37/32/590243732.db2.gz	QBTPXIGPKRMFGV-XBFYPUGGSA-N	0	1	211.240	0.478	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ocnc1C1CC1	ZINC000876802806	590243757	/nfs/dbraw/zinc/24/37/57/590243757.db2.gz	SEWPHYJRBIHBDK-DTWKUNHWSA-N	0	1	246.270	0.393	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000876803941	590244097	/nfs/dbraw/zinc/24/40/97/590244097.db2.gz	ZTQLDBSSPFXJAC-NXEZZACHSA-N	0	1	244.298	0.298	20	30		BCEDMN
COC(=O)N(C)CCNCc1cccc(C#N)n1	ZINC000877634187	590379950	/nfs/dbraw/zinc/37/99/50/590379950.db2.gz	XPAQMZQLZXTIBH-UHFFFAOYSA-N	0	1	248.286	0.741	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1ncnn1C	ZINC000877661207	590386704	/nfs/dbraw/zinc/38/67/04/590386704.db2.gz	XTCICMORIKGALN-JTQLQIEISA-N	0	1	222.292	0.333	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1ncnn1CC	ZINC000877661038	590386769	/nfs/dbraw/zinc/38/67/69/590386769.db2.gz	VVBDHASKGGEANH-LLVKDONJSA-N	0	1	236.319	0.816	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCN(CC)CC1	ZINC000877932933	590450796	/nfs/dbraw/zinc/45/07/96/590450796.db2.gz	BMZAHZITKWYSOJ-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)CCCC(=O)NC	ZINC000878296758	590536863	/nfs/dbraw/zinc/53/68/63/590536863.db2.gz	MUSFQACRXYARRY-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](O)[C@@H](CC)C1	ZINC000878322976	590546370	/nfs/dbraw/zinc/54/63/70/590546370.db2.gz	RLHUAKMNVDIDTC-AXFHLTTASA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(C(=O)[C@@H](C)O)CC1	ZINC000878331573	590548301	/nfs/dbraw/zinc/54/83/01/590548301.db2.gz	WCYDBZZXEONRBS-GHMZBOCLSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@H]1CN(Cc2ccc(C#N)o2)C[C@@H]1O	ZINC000878335074	590549760	/nfs/dbraw/zinc/54/97/60/590549760.db2.gz	HTSVOUQCMRWIDV-KWQFWETISA-N	0	1	206.245	0.964	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1C[C@H](O)C(C)(C)C1	ZINC000878532172	590587337	/nfs/dbraw/zinc/58/73/37/590587337.db2.gz	QATLYPYCVUKLDV-UWVGGRQHSA-N	0	1	227.304	0.807	20	30		BCEDMN
CC[C@H](CC#N)NCCc1nnnn1C	ZINC000878698088	590611348	/nfs/dbraw/zinc/61/13/48/590611348.db2.gz	AOCFOXUHRLYSSD-MRVPVSSYSA-N	0	1	208.269	0.034	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)CC(C)(C)O	ZINC000878698122	590611326	/nfs/dbraw/zinc/61/13/26/590611326.db2.gz	BFEXPRFMNYTCAQ-NXEZZACHSA-N	0	1	214.309	0.790	20	30		BCEDMN
C#CCCN1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C	ZINC000878752092	590618645	/nfs/dbraw/zinc/61/86/45/590618645.db2.gz	GNUMDOAYJQQLOF-OUAUKWLOSA-N	0	1	208.305	0.949	20	30		BCEDMN
COC(CN1C[C@@H](C)N(CC#N)[C@H](C)C1)OC	ZINC000878772023	590620667	/nfs/dbraw/zinc/62/06/67/590620667.db2.gz	CNDITXSQAWFOCV-GHMZBOCLSA-N	0	1	241.335	0.523	20	30		BCEDMN
C#CCOCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000878772341	590620916	/nfs/dbraw/zinc/62/09/16/590620916.db2.gz	LDFIVGPJSNGHOG-STQMWFEESA-N	0	1	235.331	0.554	20	30		BCEDMN
C=CC[N@H+](CCc1nnnn1C)[C@H](C)COC	ZINC000878889875	590641495	/nfs/dbraw/zinc/64/14/95/590641495.db2.gz	LKBLPCPJHNYROH-SNVBAGLBSA-N	0	1	239.323	0.276	20	30		BCEDMN
C#CCN(C[C@H](O)CC(C)(C)O)C1CSC1	ZINC000878909155	590644817	/nfs/dbraw/zinc/64/48/17/590644817.db2.gz	MDKOESNBVNJPCS-LLVKDONJSA-N	0	1	243.372	0.559	20	30		BCEDMN
C#CCN(C[C@@H](O)CC(C)(C)O)C1CSC1	ZINC000878909156	590644929	/nfs/dbraw/zinc/64/49/29/590644929.db2.gz	MDKOESNBVNJPCS-NSHDSACASA-N	0	1	243.372	0.559	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000878949394	590658720	/nfs/dbraw/zinc/65/87/20/590658720.db2.gz	LXSLSQNQQCGOQW-GHMZBOCLSA-N	0	1	246.376	0.917	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@H](CNC(=O)NC)C1	ZINC000879034098	590682901	/nfs/dbraw/zinc/68/29/01/590682901.db2.gz	WHGUZRZDQBHYCP-WDEREUQCSA-N	0	1	241.335	0.581	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)C[C@H]1C[C@@H](O)C1	ZINC000879056817	590689247	/nfs/dbraw/zinc/68/92/47/590689247.db2.gz	UYBJNHUQNZSRBD-OUAUKWLOSA-N	0	1	227.304	0.807	20	30		BCEDMN
CO[C@H]1CC[C@H](C)N(CC(=O)NCCC#N)C1	ZINC000879319316	590740739	/nfs/dbraw/zinc/74/07/39/590740739.db2.gz	VJLAYENMDRVWCB-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(C)(F)CC1	ZINC000879381332	590758293	/nfs/dbraw/zinc/75/82/93/590758293.db2.gz	ZHRYVUSIGBJUBO-SNVBAGLBSA-N	0	1	226.295	0.948	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](O)CC(C)(C)C1	ZINC000879617259	590831730	/nfs/dbraw/zinc/83/17/30/590831730.db2.gz	MQHBGTMLEHNBKV-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C#CCCCN1CCC[C@H]2OCCNC(=O)[C@@H]21	ZINC000879720814	590855051	/nfs/dbraw/zinc/85/50/51/590855051.db2.gz	HQLVUVNRSDXAHK-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000879931492	590890977	/nfs/dbraw/zinc/89/09/77/590890977.db2.gz	LNLMDFIIMVLTTD-MNOVXSKESA-N	0	1	229.345	0.929	20	30		BCEDMN
C=CCCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1	ZINC000879931498	590891202	/nfs/dbraw/zinc/89/12/02/590891202.db2.gz	LNLMDFIIMVLTTD-WDEREUQCSA-N	0	1	229.345	0.929	20	30		BCEDMN
C=C(C)CCN(C)CCS(N)(=O)=O	ZINC000880083630	590921360	/nfs/dbraw/zinc/92/13/60/590921360.db2.gz	DHKBOEVGNGDRSC-UHFFFAOYSA-N	0	1	206.311	0.173	20	30		BCEDMN
C=CCCCCN(C)CCS(N)(=O)=O	ZINC000880085401	590921162	/nfs/dbraw/zinc/92/11/62/590921162.db2.gz	LXJUJQXWMFBELR-UHFFFAOYSA-N	0	1	220.338	0.563	20	30		BCEDMN
COCC1(N(C)CC(=O)NCCC#N)CCC1	ZINC000880186777	590954416	/nfs/dbraw/zinc/95/44/16/590954416.db2.gz	PKGXECVQDGAKCC-UHFFFAOYSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H](CF)C1	ZINC000880234614	590964481	/nfs/dbraw/zinc/96/44/81/590964481.db2.gz	JVRXERSUHZKYMM-SNVBAGLBSA-N	0	1	214.284	0.970	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@H](CF)C1	ZINC000880292361	590987865	/nfs/dbraw/zinc/98/78/65/590987865.db2.gz	OUDRQTTWXKGYGR-SECBINFHSA-N	0	1	213.256	0.308	20	30		BCEDMN
N#Cc1ccc([C@@H](O)CN2CC=C[C@H]2CO)cc1	ZINC000880486384	591060035	/nfs/dbraw/zinc/06/00/35/591060035.db2.gz	BGKWULCGCHLOKO-KBPBESRZSA-N	0	1	244.294	0.824	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1	ZINC000880611067	591110842	/nfs/dbraw/zinc/11/08/42/591110842.db2.gz	IIUKFFVHAPELFR-NTZNESFSSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000880756998	591139042	/nfs/dbraw/zinc/13/90/42/591139042.db2.gz	FEDAAFZNFHAXRN-SBMIAAHKSA-N	0	1	249.314	0.739	20	30		BCEDMN
CCNCc1cn(Cc2ccc(C#N)o2)nn1	ZINC000881302842	591184401	/nfs/dbraw/zinc/18/44/01/591184401.db2.gz	KPYSAQWELARSIB-UHFFFAOYSA-N	0	1	231.259	0.901	20	30		BCEDMN
C#CC1(F)CN(C(=O)CN(CC)C2CC2)C1	ZINC000881942142	591281671	/nfs/dbraw/zinc/28/16/71/591281671.db2.gz	VWUQPADLLDCRGY-UHFFFAOYSA-N	0	1	224.279	0.654	20	30		BCEDMN
COCCN1[C@H](C)CN(CC#N)C[C@@H]1C	ZINC000129385105	591287365	/nfs/dbraw/zinc/28/73/65/591287365.db2.gz	VHPCHNWSTNRGDH-PHIMTYICSA-N	0	1	211.309	0.551	20	30		BCEDMN
C=CCOCC(=O)NC[C@H]1CCN1CC	ZINC000882486726	591364768	/nfs/dbraw/zinc/36/47/68/591364768.db2.gz	NZPMVIIVUNQPGA-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000882490863	591370007	/nfs/dbraw/zinc/37/00/07/591370007.db2.gz	XZNOSHPGJINCIR-NSHDSACASA-N	0	1	232.287	0.710	20	30		BCEDMN
C#Cc1cncc(C(=O)NC[C@@H]2CCN2CC)c1	ZINC000882493247	591372718	/nfs/dbraw/zinc/37/27/18/591372718.db2.gz	WYPUMFKLBRSUDN-ZDUSSCGKSA-N	0	1	243.310	0.887	20	30		BCEDMN
C=CCn1cc(C(=O)NC[C@H]2CCN2CC)nn1	ZINC000882496256	591377562	/nfs/dbraw/zinc/37/75/62/591377562.db2.gz	ZXXQSRQRKDCSAJ-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
C#CC1(NC(=O)c2cnn[nH]2)CCCC1	ZINC000882535696	591387605	/nfs/dbraw/zinc/38/76/05/591387605.db2.gz	KEIPMBUIOWWTOR-UHFFFAOYSA-N	0	1	204.233	0.481	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc([C@H](C)O)s1	ZINC000883125072	591544175	/nfs/dbraw/zinc/54/41/75/591544175.db2.gz	YFLNEGLGSADEFD-DTWKUNHWSA-N	0	1	240.328	0.670	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1ncnn1C	ZINC000883400834	591648038	/nfs/dbraw/zinc/64/80/38/591648038.db2.gz	WLXKQMSCGUKRDK-SECBINFHSA-N	0	1	210.281	0.232	20	30		BCEDMN
C=CCOCCNC(=O)NC[C@H]1CCN1CC	ZINC000883560632	591691887	/nfs/dbraw/zinc/69/18/87/591691887.db2.gz	JHSWGLKZDSKXSX-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
C=C(C)CNC(=O)NC[C@@H]1CCN1CC	ZINC000883586712	591695121	/nfs/dbraw/zinc/69/51/21/591695121.db2.gz	QXRKBBWOPFUGSI-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C=C(C)CNC(=O)NC[C@H]1CCN1CC	ZINC000883586713	591696107	/nfs/dbraw/zinc/69/61/07/591696107.db2.gz	QXRKBBWOPFUGSI-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCN1CC	ZINC000883896329	591764728	/nfs/dbraw/zinc/76/47/28/591764728.db2.gz	NMFDPUAAXNNCKF-QWRGUYRKSA-N	0	1	241.335	0.317	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)nc1	ZINC000884249971	591884045	/nfs/dbraw/zinc/88/40/45/591884045.db2.gz	VEWSSCMCVQDUEI-KOLCDFICSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1coc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000884250736	591884264	/nfs/dbraw/zinc/88/42/64/591884264.db2.gz	MOCXWDOBFXACPM-RKDXNWHRSA-N	0	1	219.244	0.429	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCc3cccnc32)N1	ZINC000884447603	591937315	/nfs/dbraw/zinc/93/73/15/591937315.db2.gz	DHWHHSUGBWEKQL-MRVPVSSYSA-N	0	1	229.287	0.669	20	30		BCEDMN
Cc1coc(CNCCn2cnc(C#N)n2)c1	ZINC000886114439	592156347	/nfs/dbraw/zinc/15/63/47/592156347.db2.gz	PDQLXXJNWZTMOB-UHFFFAOYSA-N	0	1	231.259	0.841	20	30		BCEDMN
C[C@@](O)(CN1CC[C@@](O)(CC#N)C1)C(F)F	ZINC000886265402	592189930	/nfs/dbraw/zinc/18/99/30/592189930.db2.gz	HWIOLUQDBXBLDH-ZJUUUORDSA-N	0	1	234.246	0.353	20	30		BCEDMN
C#CC[C@@H]1CCN(CCCS(C)(=O)=O)C1	ZINC000886358221	592216770	/nfs/dbraw/zinc/21/67/70/592216770.db2.gz	RIWJZNWUOLADBX-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CC[C@H]1CCN(CCCS(C)(=O)=O)C1	ZINC000886358222	592216862	/nfs/dbraw/zinc/21/68/62/592216862.db2.gz	RIWJZNWUOLADBX-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CC[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000886364107	592217986	/nfs/dbraw/zinc/21/79/86/592217986.db2.gz	OTTHCKOWQOEOOQ-GFCCVEGCSA-N	0	1	245.326	0.894	20	30		BCEDMN
CON=CC(=O)N1CCN(C)C[C@H]1CC(C)C	ZINC000886597403	592273132	/nfs/dbraw/zinc/27/31/32/592273132.db2.gz	DAPMEANPCMGOJP-LLVKDONJSA-N	0	1	241.335	0.807	20	30		BCEDMN
C#CCCNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000220562172	592317921	/nfs/dbraw/zinc/31/79/21/592317921.db2.gz	CRHFPMCFHXMXHO-VIFPVBQESA-N	0	1	217.272	0.654	20	30		BCEDMN
COC(=O)N[C@H]1CCN(CCO[C@@H](C)C#N)C1	ZINC000302346052	592546833	/nfs/dbraw/zinc/54/68/33/592546833.db2.gz	IFHBWOAGAWAJHI-UWVGGRQHSA-N	0	1	241.291	0.345	20	30		BCEDMN
C=C(CC)CNC(=O)NCc1n[nH]c(=O)n1C	ZINC000889199520	592588818	/nfs/dbraw/zinc/58/88/18/592588818.db2.gz	ICADDSLOQXYPJJ-UHFFFAOYSA-N	0	1	239.279	0.286	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)N(C)C[C@H](C)C#N	ZINC000890073590	592677137	/nfs/dbraw/zinc/67/71/37/592677137.db2.gz	QSQKCEHYSDFNOT-GHMZBOCLSA-N	0	1	238.335	0.882	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H]1CC(=O)[O-]	ZINC000042163879	604965707	/nfs/dbraw/zinc/96/57/07/604965707.db2.gz	LREPNPNQPVKOOI-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
C#CCCC[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000163168255	605204777	/nfs/dbraw/zinc/20/47/77/605204777.db2.gz	RFUBQNKNCXGKTG-SNVBAGLBSA-N	0	1	211.261	0.575	20	30		BCEDMN
C#CCCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000163168384	605205272	/nfs/dbraw/zinc/20/52/72/605205272.db2.gz	RFUBQNKNCXGKTG-JTQLQIEISA-N	0	1	211.261	0.575	20	30		BCEDMN
C=C(CC)Cn1cccc(-c2nn[nH]n2)c1=O	ZINC000823882650	608289284	/nfs/dbraw/zinc/28/92/84/608289284.db2.gz	BBQMKKPDZNSAKP-UHFFFAOYSA-N	0	1	231.259	0.995	20	30		BCEDMN
C=CCS(=O)(=O)CCN[C@H](C)COC(C)=O	ZINC000893505353	634543425	/nfs/dbraw/zinc/54/34/25/634543425.db2.gz	KUWMDZLSOZQZEY-SECBINFHSA-N	0	1	249.332	0.128	20	30		BCEDMN
COC(=O)CN1CCC(NCCC#N)CC1	ZINC000336763470	635284118	/nfs/dbraw/zinc/28/41/18/635284118.db2.gz	MFZGNJMOGGGDAX-UHFFFAOYSA-N	0	1	225.292	0.127	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ncoc2C)C1	ZINC001010349542	635391930	/nfs/dbraw/zinc/39/19/30/635391930.db2.gz	NDROPVNBMOCNOM-LLVKDONJSA-N	0	1	247.298	0.810	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001010362765	635425543	/nfs/dbraw/zinc/42/55/43/635425543.db2.gz	WRHGHCSGYAKIRH-VXGBXAGGSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1	ZINC001010410390	635593314	/nfs/dbraw/zinc/59/33/14/635593314.db2.gz	VORQPKKZJQPLIJ-VXGBXAGGSA-N	0	1	236.315	0.237	20	30		BCEDMN
C=CCNC(=O)N1CCN(C)CCN(C)CC1	ZINC000891437196	631256622	/nfs/dbraw/zinc/25/66/22/631256622.db2.gz	SVDYBGBBUKYALB-UHFFFAOYSA-N	0	1	240.351	0.061	20	30		BCEDMN
N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]2CO)CC1	ZINC000934014172	631595963	/nfs/dbraw/zinc/59/59/63/631595963.db2.gz	ZKGPUCLLPNWRSE-UWVGGRQHSA-N	0	1	210.277	0.108	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C	ZINC000178768766	635689641	/nfs/dbraw/zinc/68/96/41/635689641.db2.gz	ZQRBIYSBDQMATF-RKDXNWHRSA-N	0	1	238.287	0.504	20	30		BCEDMN
CN1CC[C@@H](NCc2nc(C#N)cs2)C1	ZINC000308914261	631721674	/nfs/dbraw/zinc/72/16/74/631721674.db2.gz	FKNUEQOWQCPAFO-MRVPVSSYSA-N	0	1	222.317	0.808	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1	ZINC000972090477	631762307	/nfs/dbraw/zinc/76/23/07/631762307.db2.gz	KSLKAXQZYTWGTI-IJLUTSLNSA-N	0	1	220.316	0.808	20	30		BCEDMN
C=CC[C@@H]1CCN1CCNS(=O)(=O)CC	ZINC000934468803	631860677	/nfs/dbraw/zinc/86/06/77/631860677.db2.gz	JVCOMGAMZPIGQM-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)NCCC#N	ZINC000934472778	631865628	/nfs/dbraw/zinc/86/56/28/631865628.db2.gz	UQCFAONPZLRPHH-SNVBAGLBSA-N	0	1	207.277	0.667	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O	ZINC000934473499	631866955	/nfs/dbraw/zinc/86/69/55/631866955.db2.gz	WTVWVRXQEJKZNE-HTQZYQBOSA-N	0	1	211.265	0.220	20	30		BCEDMN
C=CCCC[N@@H+](CC)Cc1nc(=O)n(C)[n-]1	ZINC000934647336	632001758	/nfs/dbraw/zinc/00/17/58/632001758.db2.gz	XFXYYFCSZLXYGK-UHFFFAOYSA-N	0	1	224.308	0.897	20	30		BCEDMN
C=CCCC[N@H+](CC)Cc1nc(=O)n(C)[n-]1	ZINC000934647336	632001766	/nfs/dbraw/zinc/00/17/66/632001766.db2.gz	XFXYYFCSZLXYGK-UHFFFAOYSA-N	0	1	224.308	0.897	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ccnnc2)C1	ZINC000972415531	632025726	/nfs/dbraw/zinc/02/57/26/632025726.db2.gz	PTBXXAXTCYUEDP-LBPRGKRZSA-N	0	1	244.298	0.256	20	30		BCEDMN
C#C[C@H](CCC)NS(=O)(=O)c1ncc[nH]1	ZINC000308870563	632027711	/nfs/dbraw/zinc/02/77/11/632027711.db2.gz	SBXNWAREWHSOCE-MRVPVSSYSA-N	0	1	227.289	0.490	20	30		BCEDMN
N#CCC[C@H](C#N)CN[C@H](CO)C1CC1	ZINC000308916959	632430868	/nfs/dbraw/zinc/43/08/68/632430868.db2.gz	HTQBTAGETHLPCB-MWLCHTKSSA-N	0	1	207.277	0.790	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/C1CC1	ZINC000309623153	632586542	/nfs/dbraw/zinc/58/65/42/632586542.db2.gz	IFFSVDMGHSFXOV-HIHHVFROSA-N	0	1	205.261	0.180	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\C1CC1	ZINC000309623155	632587754	/nfs/dbraw/zinc/58/77/54/632587754.db2.gz	IFFSVDMGHSFXOV-HWKXXFMVSA-N	0	1	205.261	0.180	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2nocc2C)C1	ZINC000972685184	632605148	/nfs/dbraw/zinc/60/51/48/632605148.db2.gz	SMORTVJMIQAHOE-LLVKDONJSA-N	0	1	247.298	0.763	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccsc1	ZINC000309653324	632618938	/nfs/dbraw/zinc/61/89/38/632618938.db2.gz	UNYDRDALVUIFMK-RKDXNWHRSA-N	0	1	221.285	0.589	20	30		BCEDMN
CC#CCN1C[C@@H](NC(C)=O)C(C)(C)C1	ZINC000972720806	632645938	/nfs/dbraw/zinc/64/59/38/632645938.db2.gz	HVHDUIBUEWBPFT-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
CCCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000309845521	632675394	/nfs/dbraw/zinc/67/53/94/632675394.db2.gz	SUHPDSQJUFDPBB-ZJUUUORDSA-N	0	1	209.293	0.794	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2COC[C@H]2C)nn1	ZINC000926613356	632680666	/nfs/dbraw/zinc/68/06/66/632680666.db2.gz	DYPNHDKMCCVXTG-MWLCHTKSSA-N	0	1	222.292	0.589	20	30		BCEDMN
C=CCCN1CCN(C(=O)Cc2cnoc2)CC1	ZINC000949810213	632714695	/nfs/dbraw/zinc/71/46/95/632714695.db2.gz	KEZFMBGSSQDBMB-UHFFFAOYSA-N	0	1	249.314	0.937	20	30		BCEDMN
Cc1ccnc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000841183695	635833646	/nfs/dbraw/zinc/83/36/46/635833646.db2.gz	WUZVNJWGHOZZTC-UWVGGRQHSA-N	0	1	245.286	0.623	20	30		BCEDMN
N#CCCNC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000427606602	635841877	/nfs/dbraw/zinc/84/18/77/635841877.db2.gz	MCHOXKVRDRVTDJ-QMMMGPOBSA-N	0	1	218.260	0.859	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccoc1	ZINC000309635625	633215436	/nfs/dbraw/zinc/21/54/36/633215436.db2.gz	MIWVGDKKILRSHD-BDAKNGLRSA-N	0	1	205.217	0.121	20	30		BCEDMN
C#CC[N@@H+](C)CCCNc1ncc(C(=O)[O-])cn1	ZINC000328049615	633227612	/nfs/dbraw/zinc/22/76/12/633227612.db2.gz	ZAPDMVDPUNDNMZ-UHFFFAOYSA-N	0	1	248.286	0.542	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@H](C)C1	ZINC001025823747	633781276	/nfs/dbraw/zinc/78/12/76/633781276.db2.gz	CITXUUKCZRYRSO-FHUSYTEZSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C	ZINC001026008483	633830588	/nfs/dbraw/zinc/83/05/88/633830588.db2.gz	PHJNJCCMPDMEAW-MOWSAHLDSA-N	0	1	232.327	0.712	20	30		BCEDMN
CCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000309845519	633834168	/nfs/dbraw/zinc/83/41/68/633834168.db2.gz	SUHPDSQJUFDPBB-VHSXEESVSA-N	0	1	209.293	0.794	20	30		BCEDMN
C#CC1(O)CCN(Cc2n[nH]c(C(C)C)n2)CC1	ZINC000931149026	634231083	/nfs/dbraw/zinc/23/10/83/634231083.db2.gz	DCQVBXWWZLIFFO-UHFFFAOYSA-N	0	1	248.330	0.888	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCO1	ZINC001027735957	635129225	/nfs/dbraw/zinc/12/92/25/635129225.db2.gz	BOGWTULXTSWSRM-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
CC#CCN1CCC[C@@H]1CNC(=O)c1cn[nH]c1	ZINC001027765141	635138942	/nfs/dbraw/zinc/13/89/42/635138942.db2.gz	LNZRVTDDEKZYFR-GFCCVEGCSA-N	0	1	246.314	0.627	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cn[nH]c1	ZINC001027770610	635141872	/nfs/dbraw/zinc/14/18/72/635141872.db2.gz	XLQJEXDQESKOQX-NSHDSACASA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ccnn1C	ZINC001027783361	635150241	/nfs/dbraw/zinc/15/02/41/635150241.db2.gz	WJFWUTVMPUIFRB-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1	ZINC001010034803	635167762	/nfs/dbraw/zinc/16/77/62/635167762.db2.gz	XMIXGHKKIIVYTG-GFCCVEGCSA-N	0	1	247.298	0.310	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1	ZINC000980391970	635217186	/nfs/dbraw/zinc/21/71/86/635217186.db2.gz	ULEJSEBEGUGFSZ-LLVKDONJSA-N	0	1	246.314	0.200	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cncn1C	ZINC001028004903	635299706	/nfs/dbraw/zinc/29/97/06/635299706.db2.gz	WQFWEYYLBCAMAX-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCCN(C(=O)CC(C)(C)O)CC1	ZINC000981068835	635315800	/nfs/dbraw/zinc/31/58/00/635315800.db2.gz	KRHNKNMPVNGJIT-UHFFFAOYSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1[nH]nnc1C	ZINC001028064146	635343009	/nfs/dbraw/zinc/34/30/09/635343009.db2.gz	DMBZVFUJNMZYAP-JTQLQIEISA-N	0	1	249.318	0.493	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ncn[n-]1	ZINC001028213283	635484612	/nfs/dbraw/zinc/48/46/12/635484612.db2.gz	VIKRQLWQSSQERH-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CCN(C(=O)CCc1c[nH]nn1)C(C)C	ZINC000928624858	636217347	/nfs/dbraw/zinc/21/73/47/636217347.db2.gz	JESHJCXAKLUAPK-UHFFFAOYSA-N	0	1	220.276	0.608	20	30		BCEDMN
C#CCN(C(=O)CCc1cnn[nH]1)C(C)C	ZINC000928624858	636217351	/nfs/dbraw/zinc/21/73/51/636217351.db2.gz	JESHJCXAKLUAPK-UHFFFAOYSA-N	0	1	220.276	0.608	20	30		BCEDMN
C#CCN1CCC(NC(=O)CC(C)(C)O)CC1	ZINC000928653450	636270098	/nfs/dbraw/zinc/27/00/98/636270098.db2.gz	MQCWJVSFFVDKHK-UHFFFAOYSA-N	0	1	238.331	0.361	20	30		BCEDMN
CN(CC#N)C1CCN(C(=O)c2ccn[nH]2)CC1	ZINC000985292417	636276606	/nfs/dbraw/zinc/27/66/06/636276606.db2.gz	WXJKHLAGYQMDFY-UHFFFAOYSA-N	0	1	247.302	0.470	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1	ZINC000054300529	636347674	/nfs/dbraw/zinc/34/76/74/636347674.db2.gz	GSCQRPNUEAVAEB-JTQLQIEISA-N	0	1	240.303	0.475	20	30		BCEDMN
C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC000986025112	636469551	/nfs/dbraw/zinc/46/95/51/636469551.db2.gz	UGQBBPGAAHRUBF-IUCAKERBSA-N	0	1	233.275	0.126	20	30		BCEDMN
C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC000986025110	636470796	/nfs/dbraw/zinc/47/07/96/636470796.db2.gz	UGQBBPGAAHRUBF-BDAKNGLRSA-N	0	1	233.275	0.126	20	30		BCEDMN
C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC000986025113	636471039	/nfs/dbraw/zinc/47/10/39/636471039.db2.gz	UGQBBPGAAHRUBF-RKDXNWHRSA-N	0	1	233.275	0.126	20	30		BCEDMN
C[C@H]1[C@H](NCC#N)CCN1C(=O)Cc1ccn[nH]1	ZINC000986080594	636490611	/nfs/dbraw/zinc/49/06/11/636490611.db2.gz	FUNCCSZSTXVMIT-GXSJLCMTSA-N	0	1	247.302	0.055	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCOCN2)cc1O	ZINC000928949822	636620373	/nfs/dbraw/zinc/62/03/73/636620373.db2.gz	OPRVADJNYBOCDA-UHFFFAOYSA-N	0	1	233.227	0.198	20	30		BCEDMN
C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)COC)C1	ZINC000987659573	636658526	/nfs/dbraw/zinc/65/85/26/636658526.db2.gz	ULRVYRLPKXMRPE-ZJUUUORDSA-N	0	1	246.738	0.964	20	30		BCEDMN
C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cc1ccn[nH]1	ZINC000988437540	636710661	/nfs/dbraw/zinc/71/06/61/636710661.db2.gz	MDZCGSZGSFZSNH-MWLCHTKSSA-N	0	1	247.302	0.055	20	30		BCEDMN
C#CCN1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12	ZINC000989883532	636888666	/nfs/dbraw/zinc/88/86/66/636888666.db2.gz	KMSFRJHDKOWEDQ-JOYOIKCWSA-N	0	1	242.269	0.998	20	30		BCEDMN
C=CCC1(O)CCN(C(=O)[C@H](C)N(C)C)CC1	ZINC000899595731	637100236	/nfs/dbraw/zinc/10/02/36/637100236.db2.gz	YTMXSTAVQOBEHO-NSHDSACASA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2nccn2C2CC2)N1	ZINC000901214560	637235720	/nfs/dbraw/zinc/23/57/20/637235720.db2.gz	AMOWGUDJRKLUMG-MRVPVSSYSA-N	0	1	232.291	0.489	20	30		BCEDMN
C#CCCCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000901566370	637260152	/nfs/dbraw/zinc/26/01/52/637260152.db2.gz	QQZFCWDJDNYLPT-UHFFFAOYSA-N	0	1	245.282	0.992	20	30		BCEDMN
C[C@H](C#N)CNC[C@@H](O)CC1(O)CCCC1	ZINC000905107199	637616409	/nfs/dbraw/zinc/61/64/09/637616409.db2.gz	WMMWQHMDHIINJW-MNOVXSKESA-N	0	1	226.320	0.792	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCCOC)CC1	ZINC000905145240	637654070	/nfs/dbraw/zinc/65/40/70/637654070.db2.gz	LZMCARXLSZDRIN-UHFFFAOYSA-N	0	1	239.319	0.030	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCC)CC1	ZINC000905144327	637654959	/nfs/dbraw/zinc/65/49/59/637654959.db2.gz	DXTJOOBPVZXBFB-UHFFFAOYSA-N	0	1	209.293	0.403	20	30		BCEDMN
CC(C)(C#N)CNC[C@@H](O)C1(O)CCCC1	ZINC000905201743	637693795	/nfs/dbraw/zinc/69/37/95/637693795.db2.gz	FKGZHGLALPTTNT-SNVBAGLBSA-N	0	1	226.320	0.792	20	30		BCEDMN
N#CC1(CNC[C@H](O)C2(O)CCCC2)CC1	ZINC000905242987	637703486	/nfs/dbraw/zinc/70/34/86/637703486.db2.gz	HEDBMSHTKMOWKG-JTQLQIEISA-N	0	1	224.304	0.546	20	30		BCEDMN
N#CCCNC[C@@H](O)CC1(CO)CCCC1	ZINC000905237718	637723055	/nfs/dbraw/zinc/72/30/55/637723055.db2.gz	KKHJWUYXQOSDAK-NSHDSACASA-N	0	1	226.320	0.793	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)C[C@H](O)c1ccccc1	ZINC000905365235	637788084	/nfs/dbraw/zinc/78/80/84/637788084.db2.gz	HVKDRIVMGRNJOK-MCIONIFRSA-N	0	1	249.310	0.055	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)CC1(O)CCCCC1	ZINC000905367808	637790045	/nfs/dbraw/zinc/79/00/45/637790045.db2.gz	VUQMXTUCKNWSGD-NEPJUHHUSA-N	0	1	241.331	0.016	20	30		BCEDMN
COC(=O)[C@@H](F)CNC[C@H](O)CC(C)(C)C#N	ZINC000905492132	637836799	/nfs/dbraw/zinc/83/67/99/637836799.db2.gz	YGLMFRWTCUMBEP-BDAKNGLRSA-N	0	1	246.282	0.388	20	30		BCEDMN
C=C(C)CNC(=S)NC[C@H]1CCN1C	ZINC000905649463	637870065	/nfs/dbraw/zinc/87/00/65/637870065.db2.gz	WZBVJKSKVXMVDQ-SECBINFHSA-N	0	1	213.350	0.731	20	30		BCEDMN
C#CCN1CCC(NC(=S)NCCC)CC1	ZINC000905656967	637872820	/nfs/dbraw/zinc/87/28/20/637872820.db2.gz	VLACWAALQUHVPW-UHFFFAOYSA-N	0	1	239.388	0.958	20	30		BCEDMN
C=CC[C@@H](NC[C@H]1CCN1CC)C(=O)OC	ZINC000905802973	637934484	/nfs/dbraw/zinc/93/44/84/637934484.db2.gz	AQIOERTVSHGFTR-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=C[C@@H](NCc1cc(N(C)C)ccn1)C(=O)OC	ZINC000905850025	637964853	/nfs/dbraw/zinc/96/48/53/637964853.db2.gz	JJXGMLIHJIBCKP-GFCCVEGCSA-N	0	1	249.314	0.965	20	30		BCEDMN
Nc1cn[nH]c1[C@@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000907420595	638379296	/nfs/dbraw/zinc/37/92/96/638379296.db2.gz	ACVBRZIKHIDHLI-SNVBAGLBSA-N	0	1	244.298	0.721	20	30		BCEDMN
C=CCCCCNC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000907445256	638385984	/nfs/dbraw/zinc/38/59/84/638385984.db2.gz	AGBAEZZOMPKBEM-AAEUAGOBSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cnc[nH]1)[C@@H]1CCCO1	ZINC000907489298	638389246	/nfs/dbraw/zinc/38/92/46/638389246.db2.gz	XXPVGDGXRVBFFL-MNOVXSKESA-N	0	1	233.271	0.249	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cnc[nH]1)[C@@H]1CCCO1	ZINC000907489300	638390101	/nfs/dbraw/zinc/39/01/01/638390101.db2.gz	XXPVGDGXRVBFFL-QWRGUYRKSA-N	0	1	233.271	0.249	20	30		BCEDMN
C#C[C@H](NC(=O)c1[nH]ncc1F)[C@@H]1CCCO1	ZINC000907484308	638390130	/nfs/dbraw/zinc/39/01/30/638390130.db2.gz	AHSCZLVEFHZMPP-IUCAKERBSA-N	0	1	237.234	0.459	20	30		BCEDMN
C=C(C)CNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907520474	638403362	/nfs/dbraw/zinc/40/33/62/638403362.db2.gz	DARYYCJZJNALCU-GXSJLCMTSA-N	0	1	212.293	0.134	20	30		BCEDMN
CCOC(=O)[C@@H]1CSCN1C(=O)C(C)C#N	ZINC000907898456	638504129	/nfs/dbraw/zinc/50/41/29/638504129.db2.gz	UEDALVQUYKWNEZ-YUMQZZPRSA-N	0	1	242.300	0.611	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)c1[nH]ncc1F	ZINC000908300713	638650214	/nfs/dbraw/zinc/65/02/14/638650214.db2.gz	XBRHHWSGSBZIBR-SNVBAGLBSA-N	0	1	222.223	0.971	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2	ZINC000908616758	639036198	/nfs/dbraw/zinc/03/61/98/639036198.db2.gz	GFKHVMDDZJRJQP-IUCAKERBSA-N	0	1	247.298	0.258	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)Cc1cnc[nH]1	ZINC000908995758	639118211	/nfs/dbraw/zinc/11/82/11/639118211.db2.gz	AMVFSRQAVFUFEV-ZJUUUORDSA-N	0	1	221.260	0.412	20	30		BCEDMN
C#CC1CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC000911546565	639662902	/nfs/dbraw/zinc/66/29/02/639662902.db2.gz	DCSFLBQRUZVYBK-UHFFFAOYSA-N	0	1	217.272	0.824	20	30		BCEDMN
N#Cc1cscc1C(=O)N1CCNCC1	ZINC000911647285	639700963	/nfs/dbraw/zinc/70/09/63/639700963.db2.gz	YSMDEYJBYMDPFM-UHFFFAOYSA-N	0	1	221.285	0.665	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@@H](n2cccn2)C1	ZINC000930530905	639803538	/nfs/dbraw/zinc/80/35/38/639803538.db2.gz	FMAYIDMDXDOUCW-GHMZBOCLSA-N	0	1	220.276	0.404	20	30		BCEDMN
COCC(C)(C)[N@@H+](C)C[C@H](O)CC#N	ZINC000930555893	639810957	/nfs/dbraw/zinc/81/09/57/639810957.db2.gz	XPZJSEWALJYDMA-SECBINFHSA-N	0	1	200.282	0.618	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN[C@@H](C)C1	ZINC000911809025	639830927	/nfs/dbraw/zinc/83/09/27/639830927.db2.gz	HPQNZRPZPMVLPD-QJPTWQEYSA-N	0	1	238.331	0.788	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1ccon1	ZINC000930655772	639848603	/nfs/dbraw/zinc/84/86/03/639848603.db2.gz	TZOWPWQNLDYRJO-UHFFFAOYSA-N	0	1	222.248	0.361	20	30		BCEDMN
C[C@@H]1[C@H](O)CCN1Cc1cncc(C#N)c1	ZINC000930655109	639848646	/nfs/dbraw/zinc/84/86/46/639848646.db2.gz	DHFVNSUYJQZOQZ-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21	ZINC000930701806	639868343	/nfs/dbraw/zinc/86/83/43/639868343.db2.gz	FATGYXITKIAIMN-MXWKQRLJSA-N	0	1	210.277	0.372	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C	ZINC000911902648	639883638	/nfs/dbraw/zinc/88/36/38/639883638.db2.gz	ZOQOIXXEKQAVGU-KOLCDFICSA-N	0	1	228.292	0.065	20	30		BCEDMN
C=CCC[C@H](O)CN1[C@H](C)C(=O)N[C@H](C)[C@@H]1C	ZINC000930833385	639935710	/nfs/dbraw/zinc/93/57/10/639935710.db2.gz	FTVSBLZUWCAHMF-KXNHARMFSA-N	0	1	240.347	0.911	20	30		BCEDMN
C[C@@H](CC#N)NC[C@@H]1CCC2(COC2)O1	ZINC000930869399	639962105	/nfs/dbraw/zinc/96/21/05/639962105.db2.gz	ZGKLDPIDKYQODN-UWVGGRQHSA-N	0	1	210.277	0.826	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@H]1c1nnc[nH]1	ZINC000931139810	640077079	/nfs/dbraw/zinc/07/70/79/640077079.db2.gz	CPPOTQIUPPJHGF-JTQLQIEISA-N	0	1	247.302	0.081	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cnc[nH]1)C1CCOCC1	ZINC000912692800	640167187	/nfs/dbraw/zinc/16/71/87/640167187.db2.gz	MFNXBCAFRIXXAO-GFCCVEGCSA-N	0	1	247.298	0.497	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC000912707525	640173486	/nfs/dbraw/zinc/17/34/86/640173486.db2.gz	VOHIDCHUOVGGQT-LLVKDONJSA-N	0	1	218.260	0.714	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC000912707526	640173822	/nfs/dbraw/zinc/17/38/22/640173822.db2.gz	VOHIDCHUOVGGQT-NSHDSACASA-N	0	1	218.260	0.714	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)[nH]1	ZINC000912913087	640237642	/nfs/dbraw/zinc/23/76/42/640237642.db2.gz	GUNWAQPJSOVXHS-LLVKDONJSA-N	0	1	244.298	0.807	20	30		BCEDMN
C=CCNC(=O)CN1CCc2nccc(N)c2C1	ZINC000931511943	640243219	/nfs/dbraw/zinc/24/32/19/640243219.db2.gz	IYAIOYSKISBMCG-UHFFFAOYSA-N	0	1	246.314	0.324	20	30		BCEDMN
C[C@H](C#N)OCCN1CCc2nccc(N)c2C1	ZINC000931517836	640245186	/nfs/dbraw/zinc/24/51/86/640245186.db2.gz	LOOWGXSRUTYXTR-SNVBAGLBSA-N	0	1	246.314	0.951	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCc2nccc(N)c2C1	ZINC000931517833	640248150	/nfs/dbraw/zinc/24/81/50/640248150.db2.gz	LOOWGXSRUTYXTR-JTQLQIEISA-N	0	1	246.314	0.951	20	30		BCEDMN
C#CCSCC(=O)N1CC[C@H](N2CCC2)C1	ZINC000912904704	640250256	/nfs/dbraw/zinc/25/02/56/640250256.db2.gz	WQMDYYQMZMECCG-NSHDSACASA-N	0	1	238.356	0.659	20	30		BCEDMN
N#CC[C@@H](O)CN[C@@]1(c2ccccc2)C[C@@H](O)C1	ZINC000931684698	640314399	/nfs/dbraw/zinc/31/43/99/640314399.db2.gz	MVVZQJRTUQRKEU-MCIONIFRSA-N	0	1	246.310	0.901	20	30		BCEDMN
CCOC(C)(C)C(=O)NCC#CCN(C)C	ZINC000913524967	640380019	/nfs/dbraw/zinc/38/00/19/640380019.db2.gz	DRSWDDHAKSOTKY-UHFFFAOYSA-N	0	1	226.320	0.483	20	30		BCEDMN
COc1ccc(C(=O)NCC#CCN(C)C)cn1	ZINC000913516053	640380730	/nfs/dbraw/zinc/38/07/30/640380730.db2.gz	YRHSCUGIOPHLQQ-UHFFFAOYSA-N	0	1	247.298	0.385	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1CC1(C)C	ZINC000913520017	640381459	/nfs/dbraw/zinc/38/14/59/640381459.db2.gz	ZEGHCCDOMLMXKJ-JTQLQIEISA-N	0	1	208.305	0.714	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1ccc(O)cc1	ZINC000913520013	640382112	/nfs/dbraw/zinc/38/21/12/640382112.db2.gz	YXZMNEMVULWWGD-UHFFFAOYSA-N	0	1	246.310	0.616	20	30		BCEDMN
CN(C)CC#CCNC(=O)C(C)(C)F	ZINC000913520182	640382462	/nfs/dbraw/zinc/38/24/62/640382462.db2.gz	HLKAQIGLHJQLHG-UHFFFAOYSA-N	0	1	200.257	0.416	20	30		BCEDMN
CCOC1CC(C(=O)NCC#CCN(C)C)C1	ZINC000913522644	640383978	/nfs/dbraw/zinc/38/39/78/640383978.db2.gz	RUIIIJDJRWWBGD-UHFFFAOYSA-N	0	1	238.331	0.483	20	30		BCEDMN
COCC#CCN1CC[C@H](C(=O)OC)C[C@@H]1C	ZINC000933170883	640675244	/nfs/dbraw/zinc/67/52/44/640675244.db2.gz	LVSHAMWZSMGCDF-RYUDHWBXSA-N	0	1	239.315	0.910	20	30		BCEDMN
C=CCCN1CC(NC(=O)Cc2n[nH]c(C)n2)C1	ZINC001030291634	640735196	/nfs/dbraw/zinc/73/51/96/640735196.db2.gz	DEBIQIUNXOZHQF-UHFFFAOYSA-N	0	1	249.318	0.032	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cocn2)C[C@H]1C	ZINC000947114211	640794921	/nfs/dbraw/zinc/79/49/21/640794921.db2.gz	ZEMKGTSBHNHRQZ-MNOVXSKESA-N	0	1	247.298	0.891	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C	ZINC000172020414	641026787	/nfs/dbraw/zinc/02/67/87/641026787.db2.gz	RVGSFKYQPRBVFP-ZJUUUORDSA-N	0	1	240.303	0.750	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)[C@@H]1CC[C@@H]1OC	ZINC000934128173	641086505	/nfs/dbraw/zinc/08/65/05/641086505.db2.gz	QJXMIDCHDVVQHZ-AXFHLTTASA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)[C@H]1CC[C@H]1OC	ZINC000934128177	641087768	/nfs/dbraw/zinc/08/77/68/641087768.db2.gz	QJXMIDCHDVVQHZ-GARJFASQSA-N	0	1	224.304	0.234	20	30		BCEDMN
N#CCCN1CCCCCNC(=O)CC1	ZINC000934161856	641093800	/nfs/dbraw/zinc/09/38/00/641093800.db2.gz	CPTDWJUARUNYNK-UHFFFAOYSA-N	0	1	209.293	0.892	20	30		BCEDMN
C#CCNC(=O)CN1CCCSC[C@H]1C	ZINC000934306674	641122495	/nfs/dbraw/zinc/12/24/95/641122495.db2.gz	UVHRLNQEBVZFGE-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1	ZINC000971078618	641147261	/nfs/dbraw/zinc/14/72/61/641147261.db2.gz	WJGBBKCOMOCPTJ-GFCCVEGCSA-N	0	1	246.314	0.049	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NC(=O)NCC	ZINC000934470014	641164824	/nfs/dbraw/zinc/16/48/24/641164824.db2.gz	AYSHAVCOWGVTAJ-VIFPVBQESA-N	0	1	225.292	0.483	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@H](OCC)C2)C1=O	ZINC000932974092	641169536	/nfs/dbraw/zinc/16/95/36/641169536.db2.gz	MMNCGGIWMUJXGP-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
CN(CC#N)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1	ZINC000971124190	641176600	/nfs/dbraw/zinc/17/66/00/641176600.db2.gz	AUYZLFZIPUPMFY-SECBINFHSA-N	0	1	233.275	0.080	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@@H](O)[C@@H](F)C1	ZINC000934578619	641206552	/nfs/dbraw/zinc/20/65/52/641206552.db2.gz	UZUIHKYNRQMZDF-GARJFASQSA-N	0	1	217.284	0.718	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](c1ccncc1)C1CC1	ZINC000934681837	641244816	/nfs/dbraw/zinc/24/48/16/641244816.db2.gz	BQXKYKIRPLMYOT-CQSZACIVSA-N	0	1	243.310	0.872	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1c[nH]nn1	ZINC000935594395	641435486	/nfs/dbraw/zinc/43/54/86/641435486.db2.gz	GSXZYKOMFWLSPW-CBAPKCEASA-N	0	1	222.248	0.724	20	30		BCEDMN
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1c[nH]nn1	ZINC000935595843	641438652	/nfs/dbraw/zinc/43/86/52/641438652.db2.gz	UFCYNGBGTGRLIL-QMMMGPOBSA-N	0	1	237.263	0.214	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](N(C)C(C)=O)CC1	ZINC000948108348	641772294	/nfs/dbraw/zinc/77/22/94/641772294.db2.gz	CAQZWUXGWHOBPW-LBPRGKRZSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCN(CCOC)C(=O)NC[C@H]1CCN1C	ZINC000925419488	641778625	/nfs/dbraw/zinc/77/86/25/641778625.db2.gz	CHNTYABICQZODB-LLVKDONJSA-N	0	1	241.335	0.535	20	30		BCEDMN
C=CCN1CCN(C(=O)CCc2cnc[nH]2)CC1	ZINC000948671194	641818109	/nfs/dbraw/zinc/81/81/09/641818109.db2.gz	ALVCNKUAWJOMCU-UHFFFAOYSA-N	0	1	248.330	0.673	20	30		BCEDMN
C#CCOc1ccc(CNC2(C(N)=O)CC2)cc1	ZINC000191484746	641925607	/nfs/dbraw/zinc/92/56/07/641925607.db2.gz	LHHVIVXMLULEGG-UHFFFAOYSA-N	0	1	244.294	0.806	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCCCCC#N	ZINC000916743391	641973361	/nfs/dbraw/zinc/97/33/61/641973361.db2.gz	MFYGKQSQDNEGPO-JTQLQIEISA-N	0	1	224.308	0.684	20	30		BCEDMN
CC(=O)C(C#N)C(=O)NCCCOC(C)C	ZINC000916873639	641983507	/nfs/dbraw/zinc/98/35/07/641983507.db2.gz	ZNDHVZWJQKWSNZ-JTQLQIEISA-N	0	1	226.276	0.646	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C)C1	ZINC000925431752	641984514	/nfs/dbraw/zinc/98/45/14/641984514.db2.gz	YHZNYEOPCJJGML-RYUDHWBXSA-N	0	1	235.331	0.745	20	30		BCEDMN
CCOCC(=O)C(C#N)C(=O)NC(C)C	ZINC000916945433	641987767	/nfs/dbraw/zinc/98/77/67/641987767.db2.gz	AXUBXWLPYAIOEJ-QMMMGPOBSA-N	0	1	212.249	0.256	20	30		BCEDMN
CCOCC(=O)C(C#N)C(=O)NC(C)C	ZINC000916945432	641988664	/nfs/dbraw/zinc/98/86/64/641988664.db2.gz	AXUBXWLPYAIOEJ-MRVPVSSYSA-N	0	1	212.249	0.256	20	30		BCEDMN
C=CCNC(=O)NC(=O)C[N@H+](CC=C)C(C)C	ZINC000917071810	642004747	/nfs/dbraw/zinc/00/47/47/642004747.db2.gz	ZDICWODUIODJJU-UHFFFAOYSA-N	0	1	239.319	0.895	20	30		BCEDMN
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C=C(C)CN1CC(NC(=O)CN2CCCC2)C1	ZINC001031389282	642056229	/nfs/dbraw/zinc/05/62/29/642056229.db2.gz	JUYHJABICKXXHI-UHFFFAOYSA-N	0	1	237.347	0.459	20	30		BCEDMN
Cn1cc(C=NNc2ncnc3nc[nH]c32)cn1	ZINC000917554630	642086648	/nfs/dbraw/zinc/08/66/48/642086648.db2.gz	CFKAFMUIPHNBSI-UHFFFAOYSA-N	0	1	242.246	0.532	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnn(C)c2)C1	ZINC001031533897	642280607	/nfs/dbraw/zinc/28/06/07/642280607.db2.gz	QUSRGIHIOJZTBS-UHFFFAOYSA-N	0	1	234.303	0.268	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cncnc2C)C1	ZINC001031554881	642299824	/nfs/dbraw/zinc/29/98/24/642299824.db2.gz	CWLVRQULJRNEGW-UHFFFAOYSA-N	0	1	246.314	0.633	20	30		BCEDMN
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C#CCCN(C)CC(=O)NCc1ccco1	ZINC000920417389	642489898	/nfs/dbraw/zinc/48/98/98/642489898.db2.gz	DKYHDZVXDWWHQH-UHFFFAOYSA-N	0	1	220.272	0.851	20	30		BCEDMN
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CN(C(=O)c1ccn[nH]1)C1CCN(CC#N)CC1	ZINC001005129996	644172386	/nfs/dbraw/zinc/17/23/86/644172386.db2.gz	MQYXIXVUABIGJT-UHFFFAOYSA-N	0	1	247.302	0.470	20	30		BCEDMN
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CC#CCN(C)C(=O)NCCCc1nc[nH]n1	ZINC000923133162	644270157	/nfs/dbraw/zinc/27/01/57/644270157.db2.gz	LHBUQFBOWZQESB-UHFFFAOYSA-N	0	1	235.291	0.402	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCCCc1nc[nH]n1	ZINC000923141185	644274865	/nfs/dbraw/zinc/27/48/65/644274865.db2.gz	JUTVBACNSXWSQF-QMMMGPOBSA-N	0	1	223.280	0.611	20	30		BCEDMN
C#CCNCC(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000082344092	644369243	/nfs/dbraw/zinc/36/92/43/644369243.db2.gz	VZSFJTTWXKHDRW-QWRGUYRKSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)/C=C/COC)C1	ZINC000923561008	644501045	/nfs/dbraw/zinc/50/10/45/644501045.db2.gz	PEFZENVCIPJMDU-HOSRBBHYSA-N	0	1	236.315	0.403	20	30		BCEDMN
C#CCNCC(=O)N[C@H]1CCCC[C@@H]1C	ZINC000088362453	644518035	/nfs/dbraw/zinc/51/80/35/644518035.db2.gz	ADONCLVDTRDRPC-QWRGUYRKSA-N	0	1	208.305	0.904	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cnn(C(C)C)c1	ZINC000754800357	644611345	/nfs/dbraw/zinc/61/13/45/644611345.db2.gz	OJTWDJRXGRBPHC-LLVKDONJSA-N	0	1	248.330	0.864	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1cc(C)[nH]n1	ZINC000773599985	644694400	/nfs/dbraw/zinc/69/44/00/644694400.db2.gz	UTJUWOKXENNJGU-SSDOTTSWSA-N	0	1	206.249	0.539	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn3cccnc23)N1	ZINC000779797950	644715452	/nfs/dbraw/zinc/71/54/52/644715452.db2.gz	LXONNWBZCXEJEL-MRVPVSSYSA-N	0	1	243.274	0.001	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc3c(c2)CCO3)N1	ZINC000779805342	644716755	/nfs/dbraw/zinc/71/67/55/644716755.db2.gz	NDDLZCPPECXOSB-SECBINFHSA-N	0	1	244.298	0.893	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnc3cnccn23)N1	ZINC000779805634	644717405	/nfs/dbraw/zinc/71/74/05/644717405.db2.gz	QQOSFHYTNIGWNN-MRVPVSSYSA-N	0	1	243.274	0.001	20	30		BCEDMN
C=CCCN(C)CCCS(=O)(=O)CCOC	ZINC000786447189	644775036	/nfs/dbraw/zinc/77/50/36/644775036.db2.gz	UFTYBPHYFWMGML-UHFFFAOYSA-N	0	1	249.376	0.946	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1	ZINC000958066710	644775367	/nfs/dbraw/zinc/77/53/67/644775367.db2.gz	JJRCTUXUFQFKDN-PJXYFTJBSA-N	0	1	241.294	0.375	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)no1	ZINC000958211699	644782929	/nfs/dbraw/zinc/78/29/29/644782929.db2.gz	KCHBYJRJHMBLMV-IAZYJMLFSA-N	0	1	245.282	0.276	20	30		BCEDMN
C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1	ZINC000958373333	644792426	/nfs/dbraw/zinc/79/24/26/644792426.db2.gz	FDUQWXLDRNCUOM-ITGUQSILSA-N	0	1	246.310	0.360	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1	ZINC000958373333	644792431	/nfs/dbraw/zinc/79/24/31/644792431.db2.gz	FDUQWXLDRNCUOM-ITGUQSILSA-N	0	1	246.310	0.360	20	30		BCEDMN
Cc1cnn(C)c1C=NNc1cncnc1	ZINC000794978476	644805669	/nfs/dbraw/zinc/80/56/69/644805669.db2.gz	HMQYOCRHSXEZNZ-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ccc1C	ZINC000958738573	644822633	/nfs/dbraw/zinc/82/26/33/644822633.db2.gz	YVFQAELWEXYSEB-PJXYFTJBSA-N	0	1	243.310	0.616	20	30		BCEDMN
Cn1nncc1C(=O)Nc1cc(C#N)ccc1O	ZINC000798984824	644829235	/nfs/dbraw/zinc/82/92/35/644829235.db2.gz	GIIKRALRFRNCHX-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
C#Cc1cncc(C(=O)N2CC(N(C)C)C2)c1	ZINC000807173536	644861883	/nfs/dbraw/zinc/86/18/83/644861883.db2.gz	JWMDGDJFRAAHJW-UHFFFAOYSA-N	0	1	229.283	0.449	20	30		BCEDMN
C[C@H](C#N)OCCSc1nc(N)cc(N)n1	ZINC000304257674	644881688	/nfs/dbraw/zinc/88/16/88/644881688.db2.gz	SMAKDTRBAXKNOZ-ZCFIWIBFSA-N	0	1	239.304	0.662	20	30		BCEDMN
C#CCONC(=O)c1cn[nH]c1C1CC1	ZINC000812783325	644931298	/nfs/dbraw/zinc/93/12/98/644931298.db2.gz	JWWQLKGFLVEZIR-UHFFFAOYSA-N	0	1	205.217	0.582	20	30		BCEDMN
C[C@@H]1CN(C2CC2)CC1N=Nc1cnnn1C	ZINC000814983682	644946937	/nfs/dbraw/zinc/94/69/37/644946937.db2.gz	MKKSPLKGRAPZMG-MRVPVSSYSA-N	0	1	234.307	0.697	20	30		BCEDMN
CC(=NNc1cnnn1C)c1cc[nH]n1	ZINC000814983738	644947783	/nfs/dbraw/zinc/94/77/83/644947783.db2.gz	NXQQBCFTFYXZOF-UHFFFAOYSA-N	0	1	205.225	0.374	20	30		BCEDMN
Cn1cc2c(n1)CCCC2=NNc1cnnn1C	ZINC000814984363	644949162	/nfs/dbraw/zinc/94/91/62/644949162.db2.gz	XJSKRCBJRXPCLP-UHFFFAOYSA-N	0	1	245.290	0.701	20	30		BCEDMN
C=C(Cl)CN1CC[C@H](C(=O)NC)C1	ZINC000817283984	644970029	/nfs/dbraw/zinc/97/00/29/644970029.db2.gz	GKSRHRFKNJQFKF-QMMMGPOBSA-N	0	1	202.685	0.807	20	30		BCEDMN
CC(C)OC[C@@H](O)CNCc1ccc(C#N)cn1	ZINC000819314072	645011223	/nfs/dbraw/zinc/01/12/23/645011223.db2.gz	QEUXBQCXEDOQEB-ZDUSSCGKSA-N	0	1	249.314	0.829	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)Cc1n[nH]c(C)n1	ZINC000834363349	645138076	/nfs/dbraw/zinc/13/80/76/645138076.db2.gz	BKXGJQUQWOCQBH-SECBINFHSA-N	0	1	220.276	0.574	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)C1(N(C)C)CC1	ZINC000834364364	645139665	/nfs/dbraw/zinc/13/96/65/645139665.db2.gz	YMGPYGDGKOMEMG-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCC2(CN(C)C2)C1	ZINC000834522109	645142491	/nfs/dbraw/zinc/14/24/91/645142491.db2.gz	GDAXLZRGVPVXDC-NSHDSACASA-N	0	1	236.315	0.189	20	30		BCEDMN
CC(C)COCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834521598	645142841	/nfs/dbraw/zinc/14/28/41/645142841.db2.gz	NTTIZIJWWFCGLZ-WDEREUQCSA-N	0	1	239.319	0.277	20	30		BCEDMN
C[C@H](NC(=O)N[C@H]1CNC[C@H]1C#N)C1CC1	ZINC000841507112	645218319	/nfs/dbraw/zinc/21/83/19/645218319.db2.gz	SLTRCJLCTNDCQY-SFGNSQDASA-N	0	1	222.292	0.196	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)NC1CCCCC1	ZINC000841507068	645218347	/nfs/dbraw/zinc/21/83/47/645218347.db2.gz	QKRZCRSWMSJPHV-GXSJLCMTSA-N	0	1	236.319	0.730	20	30		BCEDMN
C#CC[C@H]1NC(=O)N(Cc2cc(C)[nH]n2)C1=O	ZINC000927496776	645628634	/nfs/dbraw/zinc/62/86/34/645628634.db2.gz	XNAAYOGEYKALOK-SECBINFHSA-N	0	1	232.243	0.162	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)Cc1cccc(C#N)c1	ZINC000928562824	645824793	/nfs/dbraw/zinc/82/47/93/645824793.db2.gz	IKGXWCVNNMRDSQ-CYBMUJFWSA-N	0	1	243.310	0.921	20	30		BCEDMN
C#CCN1CCC(NC(=O)C#CC)CC1	ZINC000928652594	645852216	/nfs/dbraw/zinc/85/22/16/645852216.db2.gz	DYKJBQPLLMORGK-UHFFFAOYSA-N	0	1	204.273	0.224	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cncs2)CC1	ZINC000928652696	645852874	/nfs/dbraw/zinc/85/28/74/645852874.db2.gz	IYYAUSITLRYRDR-UHFFFAOYSA-N	0	1	249.339	0.971	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2(O)CCC2)CC1	ZINC000928654210	645853172	/nfs/dbraw/zinc/85/31/72/645853172.db2.gz	RFZNZEJSXUIPPO-UHFFFAOYSA-N	0	1	236.315	0.115	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2(F)CC2)CC1	ZINC000928649522	645853308	/nfs/dbraw/zinc/85/33/08/645853308.db2.gz	ORIBIIMPYJJHNP-UHFFFAOYSA-N	0	1	224.279	0.702	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H](O)/C=C\C)CC1	ZINC000928649254	645853444	/nfs/dbraw/zinc/85/34/44/645853444.db2.gz	WUYVVPLIPSKIJD-KTLBGCOUSA-N	0	1	236.315	0.137	20	30		BCEDMN
C#CCN1CCC(Nc2ncccn2)CC1	ZINC000928996978	645926232	/nfs/dbraw/zinc/92/62/32/645926232.db2.gz	CLDHQZYLXYDKEP-UHFFFAOYSA-N	0	1	216.288	0.986	20	30		BCEDMN
Cn1nccc1[C@@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000929292638	646069946	/nfs/dbraw/zinc/06/99/46/646069946.db2.gz	GAWWEWDQKPVZRZ-VXGBXAGGSA-N	0	1	248.330	0.874	20	30		BCEDMN
CCOC(=O)CCN(C)C[C@H](O)CC#N	ZINC000929477036	646133881	/nfs/dbraw/zinc/13/38/81/646133881.db2.gz	VMAZJHPHHITSMF-SECBINFHSA-N	0	1	214.265	0.146	20	30		BCEDMN
C[C@H](NC1CCN(CC#N)CC1)c1cnn(C)n1	ZINC000924999332	646154771	/nfs/dbraw/zinc/15/47/71/646154771.db2.gz	GQDQUPPZXLEOHW-JTQLQIEISA-N	0	1	248.334	0.454	20	30		BCEDMN
CN(C[C@H](O)CC#N)[C@@H](CO)c1ccccc1	ZINC000929503730	646156991	/nfs/dbraw/zinc/15/69/91/646156991.db2.gz	KWCBEBAEBXHLBP-OLZOCXBDSA-N	0	1	234.299	0.926	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCN1C	ZINC000925403647	646262361	/nfs/dbraw/zinc/26/23/61/646262361.db2.gz	NFJAGSJMTLEJAM-UWVGGRQHSA-N	0	1	224.308	0.492	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CC[C@](F)(C#N)C1	ZINC000925419885	646272686	/nfs/dbraw/zinc/27/26/86/646272686.db2.gz	GZBKGPTWJBQLNI-KOLCDFICSA-N	0	1	240.282	0.338	20	30		BCEDMN
N#CC[C@@H](O)CN1CCSC[C@@H]1CCO	ZINC000929831528	646346187	/nfs/dbraw/zinc/34/61/87/646346187.db2.gz	FHAAOBWSRNOOCX-VHSXEESVSA-N	0	1	230.333	0.061	20	30		BCEDMN
C=C(C)[C@@H](CO)N(CCO)Cc1cccnc1	ZINC000929840561	646351480	/nfs/dbraw/zinc/35/14/80/646351480.db2.gz	XDCOCUWYMHNMKQ-CYBMUJFWSA-N	0	1	236.315	0.813	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN2C(=O)CC[C@H]2C1	ZINC000930142383	646453930	/nfs/dbraw/zinc/45/39/30/646453930.db2.gz	KHHMMHCFGBECCY-WDEREUQCSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=CCOCCN[C@@H](C)c1cnnn1C	ZINC000926117026	646577392	/nfs/dbraw/zinc/57/73/92/646577392.db2.gz	VHXJOKADNCZYHZ-VIFPVBQESA-N	0	1	210.281	0.668	20	30		BCEDMN
C=CC[C@@H](CO)N[C@@H](C)c1cnn(C)n1	ZINC000926151630	646584396	/nfs/dbraw/zinc/58/43/96/646584396.db2.gz	BZILDUULGQHFCE-IUCAKERBSA-N	0	1	210.281	0.403	20	30		BCEDMN
C=CC[C@H](CO)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000926152830	646586186	/nfs/dbraw/zinc/58/61/86/646586186.db2.gz	LGPJGAQZYQPKRH-BBBLOLIVSA-N	0	1	222.292	0.811	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1	ZINC001075620026	711761195	/nfs/dbraw/zinc/76/11/95/711761195.db2.gz	WNEANNLJGCHGRE-GRYCIOLGSA-N	0	1	233.315	0.865	20	30		BCEDMN
C=CCCOCC(=O)NC[C@H]1CCN1C	ZINC000928566447	711779123	/nfs/dbraw/zinc/77/91/23/711779123.db2.gz	PRUHNDAEIPYCMS-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
COC1CC(C(=O)NCC#CCN(C)C)C1	ZINC000913524368	711823340	/nfs/dbraw/zinc/82/33/40/711823340.db2.gz	KGWFHXXBAQEPIS-UHFFFAOYSA-N	0	1	224.304	0.093	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@H](C)CO2)C1	ZINC001031858152	711893394	/nfs/dbraw/zinc/89/33/94/711893394.db2.gz	QJRRZCWQLIGJIN-CMPLNLGQSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)C2CC2)C1	ZINC001032854217	711963012	/nfs/dbraw/zinc/96/30/12/711963012.db2.gz	RDBSQBRUPAOCSX-NSHDSACASA-N	0	1	206.289	0.562	20	30		BCEDMN
CC#CCN1CC[C@@H](N(C)C(=O)C2CC2)C1	ZINC001032854600	711964508	/nfs/dbraw/zinc/96/45/08/711964508.db2.gz	UWWNHJDTGSFOAT-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCCCN1CCN(CC(=O)N(C)C)CC1	ZINC000700826222	712007480	/nfs/dbraw/zinc/00/74/80/712007480.db2.gz	GOUZENIVZGYFGP-UHFFFAOYSA-N	0	1	237.347	0.106	20	30		BCEDMN
C#C[C@H](NS(=O)(=O)c1ncc[nH]1)C(C)(C)C	ZINC000702241287	712040892	/nfs/dbraw/zinc/04/08/92/712040892.db2.gz	XCUZMYDWQINLJV-QMMMGPOBSA-N	0	1	241.316	0.736	20	30		BCEDMN
CCC(O)(CC)CN(C)CC(=O)NCCC#N	ZINC000706418073	712146085	/nfs/dbraw/zinc/14/60/85/712146085.db2.gz	BDMLPPCYTAYYJJ-UHFFFAOYSA-N	0	1	241.335	0.499	20	30		BCEDMN
C#CCCCNC(=O)C1=NC(=O)N(C)C1	ZINC000708326004	712187000	/nfs/dbraw/zinc/18/70/00/712187000.db2.gz	SEJJMMNNCIMVAZ-UHFFFAOYSA-N	0	1	207.233	0.269	20	30		BCEDMN
C#C[C@@H](NC(=O)C1=NC(=O)N(C)C1)C(C)C	ZINC000708336578	712187941	/nfs/dbraw/zinc/18/79/41/712187941.db2.gz	WCIVOIFGLMDBGO-MRVPVSSYSA-N	0	1	221.260	0.513	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708338598	712189167	/nfs/dbraw/zinc/18/91/67/712189167.db2.gz	UROOOMUIPKQXLC-LLVKDONJSA-N	0	1	221.260	0.657	20	30		BCEDMN
CN1CC(C(=O)N2CC[C@](C)(C#N)C2)=NC1=O	ZINC000708408476	712194331	/nfs/dbraw/zinc/19/43/31/712194331.db2.gz	ODILZILADBQVIK-LLVKDONJSA-N	0	1	234.259	0.501	20	30		BCEDMN
C#CCCS(=O)(=O)NC1CCN(C)CC1	ZINC000710958027	712267788	/nfs/dbraw/zinc/26/77/88/712267788.db2.gz	HUTZBYHKXXUNOA-UHFFFAOYSA-N	0	1	230.333	0.023	20	30		BCEDMN
C#CCCS(=O)(=O)NCCN1CCCC1	ZINC000710958466	712268376	/nfs/dbraw/zinc/26/83/76/712268376.db2.gz	NNFQHLINVFGLBV-UHFFFAOYSA-N	0	1	230.333	0.025	20	30		BCEDMN
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CN(C)c1ccncc1C=[NH+]NCC(=O)[O-]	ZINC000378866752	712365073	/nfs/dbraw/zinc/36/50/73/712365073.db2.gz	CKQZMWRRDJIELT-UHFFFAOYSA-N	0	1	222.248	0.156	20	30		BCEDMN
CC(=NN[C@H](C)CO)c1ccc(N)nc1	ZINC000378853951	712366242	/nfs/dbraw/zinc/36/62/42/712366242.db2.gz	IIFLRALPZZQBSQ-SSDOTTSWSA-N	0	1	208.265	0.189	20	30		BCEDMN
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CC/C=C(\C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000381499617	710648277	/nfs/dbraw/zinc/64/82/77/710648277.db2.gz	CBXLDTLLKFSJKZ-PSVJHUJZSA-N	0	1	207.277	0.570	20	30		BCEDMN
CC(C)(C)CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000393737167	710672059	/nfs/dbraw/zinc/67/20/59/710672059.db2.gz	AMSQXZOXCMQJLM-RKDXNWHRSA-N	0	1	209.293	0.650	20	30		BCEDMN
C[C@H](CO)N(C)Cc1cncc(C#N)c1	ZINC000721537720	710681097	/nfs/dbraw/zinc/68/10/97/710681097.db2.gz	BYYSETCCOQACIJ-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1cccnc1	ZINC000381719354	710685821	/nfs/dbraw/zinc/68/58/21/710685821.db2.gz	LPWAHSYEOQRRSB-SNVBAGLBSA-N	0	1	217.272	0.482	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cnn(C)n1	ZINC001038818299	710708337	/nfs/dbraw/zinc/70/83/37/710708337.db2.gz	RSYCZFPDXLHFHL-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC	ZINC001039314616	710725359	/nfs/dbraw/zinc/72/53/59/710725359.db2.gz	FNZSRZBNUJLHMQ-NEPJUHHUSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCCN1CC(N(C)C(=O)c2ccn[nH]2)C1	ZINC001042495508	710787979	/nfs/dbraw/zinc/78/79/79/710787979.db2.gz	GZXVUMYSVTXESK-UHFFFAOYSA-N	0	1	232.287	0.189	20	30		BCEDMN
CC#CCN1CC(N(C)C(=O)c2ccn[nH]2)C1	ZINC001042497230	710788541	/nfs/dbraw/zinc/78/85/41/710788541.db2.gz	NOANRDGSEYYXPR-UHFFFAOYSA-N	0	1	232.287	0.189	20	30		BCEDMN
CC#CCN1CC(N(C)C(=O)c2cc(C)[nH]n2)C1	ZINC001042516485	710790153	/nfs/dbraw/zinc/79/01/53/710790153.db2.gz	SCVSOKAAENJPST-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
CC#CCN1CC(N(C)C(=O)c2cnc(C)[nH]2)C1	ZINC001042544887	710791472	/nfs/dbraw/zinc/79/14/72/710791472.db2.gz	WTYDECDYZHDJGJ-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
C=CCN1CC(N(C)C(=O)c2[nH]nnc2C)C1	ZINC001043506774	710807911	/nfs/dbraw/zinc/80/79/11/710807911.db2.gz	MHZUXFLKFOQHBP-UHFFFAOYSA-N	0	1	235.291	0.055	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cnccn2)C1	ZINC001046109493	710850088	/nfs/dbraw/zinc/85/00/88/710850088.db2.gz	NHWVLRODDYBCRR-ZDUSSCGKSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@H]2CC2(F)F)C1	ZINC001046299897	710859471	/nfs/dbraw/zinc/85/94/71/710859471.db2.gz	STIKHDYZCUGTBI-KOLCDFICSA-N	0	1	242.269	0.855	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@H](NCC#N)[C@@H](C)C2)n[nH]1	ZINC001054466570	710935292	/nfs/dbraw/zinc/93/52/92/710935292.db2.gz	MHEUTOOFHCZDFY-KWQFWETISA-N	0	1	247.302	0.292	20	30		BCEDMN
CCCN(CCO[C@@H](C)C#N)CC(=O)N(C)C	ZINC000384139218	710990442	/nfs/dbraw/zinc/99/04/42/710990442.db2.gz	MKCWPNPJBMNTEU-NSHDSACASA-N	0	1	241.335	0.715	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCC1	ZINC000390755258	711132156	/nfs/dbraw/zinc/13/21/56/711132156.db2.gz	GXABJARWQQMHSB-RKDXNWHRSA-N	0	1	207.277	0.404	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)c1cc(C)nn1C	ZINC000393608961	711165228	/nfs/dbraw/zinc/16/52/28/711165228.db2.gz	LBPUAKMZNBONCC-NXEZZACHSA-N	0	1	209.293	0.926	20	30		BCEDMN
C=C(C)CN1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C	ZINC001071788709	711202723	/nfs/dbraw/zinc/20/27/23/711202723.db2.gz	JGZDMLQLGFAUQA-VHSXEESVSA-N	0	1	239.319	0.017	20	30		BCEDMN
C#C[C@](C)(CC)NCCS(=O)(=O)N(C)C	ZINC000395268976	711205882	/nfs/dbraw/zinc/20/58/82/711205882.db2.gz	PPJMIVZPWKUITD-SNVBAGLBSA-N	0	1	232.349	0.269	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3cc[nH]c3)C2)C1	ZINC001072765798	711399176	/nfs/dbraw/zinc/39/91/76/711399176.db2.gz	UEMFLHCZXMEOIE-UHFFFAOYSA-N	0	1	243.310	0.796	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001010672772	710594154	/nfs/dbraw/zinc/59/41/54/710594154.db2.gz	WMJNLFJBXVOLBL-NSHDSACASA-N	0	1	244.298	0.876	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1	ZINC001014832819	710612542	/nfs/dbraw/zinc/61/25/42/710612542.db2.gz	QCEXHOJTBIXGPZ-SNVBAGLBSA-N	0	1	248.286	0.172	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC1(Cl)Cl	ZINC000381481148	710643304	/nfs/dbraw/zinc/64/33/04/710643304.db2.gz	DJDMOEIFKJSCBE-FSDSQADBSA-N	0	1	248.113	0.408	20	30		BCEDMN
C=CC[N@@H+]1CC=C(CNC(=O)c2cnon2)CC1	ZINC001001283073	710949973	/nfs/dbraw/zinc/94/99/73/710949973.db2.gz	XTKIMUBBNSPUGJ-UHFFFAOYSA-N	0	1	248.286	0.618	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1	ZINC001072498340	711378432	/nfs/dbraw/zinc/37/84/32/711378432.db2.gz	QABSSAPOHHNXMI-UHFFFAOYSA-N	0	1	244.298	0.191	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ocnc2C)C1	ZINC001010464976	711454548	/nfs/dbraw/zinc/45/45/48/711454548.db2.gz	UCILENUUIIOMMI-LLVKDONJSA-N	0	1	247.298	0.810	20	30		BCEDMN
CC(=NNC[C@@H](C)O)c1ccc(N)nc1	ZINC000393456807	711477472	/nfs/dbraw/zinc/47/74/72/711477472.db2.gz	DZJUJTLNTKNARB-SSDOTTSWSA-N	0	1	208.265	0.189	20	30		BCEDMN
C=CCNC(=O)NCCCc1nc[nH]n1	ZINC000382252953	711506557	/nfs/dbraw/zinc/50/65/57/711506557.db2.gz	VMLBJKHQNDALMU-UHFFFAOYSA-N	0	1	209.253	0.223	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cn(C)nn1	ZINC001038233180	711565910	/nfs/dbraw/zinc/56/59/10/711565910.db2.gz	CYBHLDVJZFLUSW-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cn(C)cn1	ZINC001027824820	711736516	/nfs/dbraw/zinc/73/65/16/711736516.db2.gz	PHDOJYQBTNCKOP-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1	ZINC001075590838	711747359	/nfs/dbraw/zinc/74/73/59/711747359.db2.gz	IIVUVOKBJNEJKA-GRYCIOLGSA-N	0	1	238.331	0.740	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@@H](C)OC)CC1	ZINC000980783609	711748832	/nfs/dbraw/zinc/74/88/32/711748832.db2.gz	JRSGYPVMHZOTAX-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H](CC(=O)[O-])C1	ZINC000054300526	711775146	/nfs/dbraw/zinc/77/51/46/711775146.db2.gz	GSCQRPNUEAVAEB-SNVBAGLBSA-N	0	1	240.303	0.475	20	30		BCEDMN
C#CCCN1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1	ZINC001076875434	711809648	/nfs/dbraw/zinc/80/96/48/711809648.db2.gz	XEPNLHZKYUSKRC-CHWSQXEVSA-N	0	1	248.326	0.281	20	30		BCEDMN
CCC[C@H](OCC)C(=O)NCC#CCN(C)C	ZINC000913524380	711823313	/nfs/dbraw/zinc/82/33/13/711823313.db2.gz	KWMLCYYCSGSEHD-LBPRGKRZSA-N	0	1	240.347	0.873	20	30		BCEDMN
CCC[C@@H](OCC)C(=O)NCC#CCN(C)C	ZINC000913524379	711823486	/nfs/dbraw/zinc/82/34/86/711823486.db2.gz	KWMLCYYCSGSEHD-GFCCVEGCSA-N	0	1	240.347	0.873	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)o1	ZINC000913515347	711823541	/nfs/dbraw/zinc/82/35/41/711823541.db2.gz	TXIBHACQKOMGNS-UHFFFAOYSA-N	0	1	220.272	0.883	20	30		BCEDMN
Cc1conc1C(=O)NCC#CCN(C)C	ZINC000913525334	711823556	/nfs/dbraw/zinc/82/35/56/711823556.db2.gz	SEKKBQWWMGIJIT-UHFFFAOYSA-N	0	1	221.260	0.278	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1(C)CCOCC1	ZINC000913518543	711823846	/nfs/dbraw/zinc/82/38/46/711823846.db2.gz	UERYXQMJJLLRRA-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1C[C@@]12CCOC2	ZINC000913521044	711823905	/nfs/dbraw/zinc/82/39/05/711823905.db2.gz	JEBVDNMDLWLEEN-WCQYABFASA-N	0	1	236.315	0.094	20	30		BCEDMN
CCCc1nc(C(=O)NCC#CCN(C)C)co1	ZINC000913520986	711823943	/nfs/dbraw/zinc/82/39/43/711823943.db2.gz	GZCGDMXVQJQDCC-UHFFFAOYSA-N	0	1	249.314	0.922	20	30		BCEDMN
CC#CCCCC(=O)NCC#CCN(C)C	ZINC000913520949	711823950	/nfs/dbraw/zinc/82/39/50/711823950.db2.gz	FLWIDBWFRPAGFG-UHFFFAOYSA-N	0	1	220.316	0.861	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1	ZINC001032924153	711967842	/nfs/dbraw/zinc/96/78/42/711967842.db2.gz	JNKHKSBARDRRGN-SNVBAGLBSA-N	0	1	234.303	0.742	20	30		BCEDMN
CN(C(=O)c1ccn[nH]1)[C@H]1CCN(CC#N)C1	ZINC001032924405	711968127	/nfs/dbraw/zinc/96/81/27/711968127.db2.gz	KOVFBJDZNJYAMH-VIFPVBQESA-N	0	1	233.275	0.080	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)c2cc(C)[nH]n2)C1	ZINC001032937507	711968855	/nfs/dbraw/zinc/96/88/55/711968855.db2.gz	VMPQWPCSKCQXSN-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1	ZINC001032944497	711969179	/nfs/dbraw/zinc/96/91/79/711969179.db2.gz	YPUMARQZLOWBGO-NEPJUHHUSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1	ZINC001032979453	711969793	/nfs/dbraw/zinc/96/97/93/711969793.db2.gz	CZILVNBWOPFTIQ-GFCCVEGCSA-N	0	1	246.314	0.118	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1	ZINC001033055647	711972693	/nfs/dbraw/zinc/97/26/93/711972693.db2.gz	ZPJCFAPMGWLAAH-JTQLQIEISA-N	0	1	249.318	0.147	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1	ZINC001033063443	711973908	/nfs/dbraw/zinc/97/39/08/711973908.db2.gz	BDWYIYYTRHTRKC-ZJUUUORDSA-N	0	1	242.269	0.808	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001033337187	711984516	/nfs/dbraw/zinc/98/45/16/711984516.db2.gz	HFEMUSDTWADPQP-WUHRBBMRSA-N	0	1	248.326	0.045	20	30		BCEDMN
C#CCONC(=O)Cc1csc(C)n1	ZINC000700567263	711996867	/nfs/dbraw/zinc/99/68/67/711996867.db2.gz	KHDAVKURNDTMGP-UHFFFAOYSA-N	0	1	210.258	0.675	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ncccn2)C1	ZINC001033519415	711999205	/nfs/dbraw/zinc/99/92/05/711999205.db2.gz	MASVVZLNLKKPIC-LLVKDONJSA-N	0	1	246.314	0.809	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cnon2)C1	ZINC001033527290	712000655	/nfs/dbraw/zinc/00/06/55/712000655.db2.gz	OJUYSPJSQREORE-SECBINFHSA-N	0	1	236.275	0.402	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1	ZINC001033672955	712010896	/nfs/dbraw/zinc/01/08/96/712010896.db2.gz	UOBODYSLOVEMEF-CYBMUJFWSA-N	0	1	245.326	0.723	20	30		BCEDMN
C#CCN1CCCC[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001034121155	712041106	/nfs/dbraw/zinc/04/11/06/712041106.db2.gz	ITFFNJBVCJASNN-LBPRGKRZSA-N	0	1	246.314	0.627	20	30		BCEDMN
N#CC1(C(=O)N2CC[C@H](N3CCC3)C2)CCC1	ZINC000702295103	712043359	/nfs/dbraw/zinc/04/33/59/712043359.db2.gz	FOSMENOGTKWLQC-NSHDSACASA-N	0	1	233.315	0.987	20	30		BCEDMN
C#CCN1CCCC[C@H](NC(=O)c2ncc[nH]2)C1	ZINC001034196741	712049955	/nfs/dbraw/zinc/04/99/55/712049955.db2.gz	DZBITULMZRIYNC-NSHDSACASA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCNC(=O)CN1CCCC(F)(F)CC1	ZINC000702837313	712061407	/nfs/dbraw/zinc/06/14/07/712061407.db2.gz	WLBXHYBXDGRVNM-UHFFFAOYSA-N	0	1	230.258	0.857	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ncn[n-]2)C1	ZINC001034444280	712064071	/nfs/dbraw/zinc/06/40/71/712064071.db2.gz	OURSKUZRORZEGM-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000705371235	712130862	/nfs/dbraw/zinc/13/08/62/712130862.db2.gz	LLZGUCSJDITNQT-ZJUUUORDSA-N	0	1	207.277	0.453	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2CCc3[nH]cnc3C2)=NO1	ZINC000504725083	712166093	/nfs/dbraw/zinc/16/60/93/712166093.db2.gz	GFZDSRIKFPLSQJ-HTQZYQBOSA-N	0	1	248.286	0.753	20	30		BCEDMN
C#CC1(O)CCN(Cc2cncn2CC)CC1	ZINC000708134967	712182377	/nfs/dbraw/zinc/18/23/77/712182377.db2.gz	WBPKYZJNFXDCCL-UHFFFAOYSA-N	0	1	233.315	0.863	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@]1(COC)CNCCO1	ZINC000710847844	712258728	/nfs/dbraw/zinc/25/87/28/712258728.db2.gz	AJUQLGWOKSSHRS-CMPLNLGQSA-N	0	1	242.319	0.072	20	30		BCEDMN
C#CCCCS(=O)(=O)N[C@@H](C)c1nnc[nH]1	ZINC000710883991	712261397	/nfs/dbraw/zinc/26/13/97/712261397.db2.gz	ZZCUJUNLAQARIR-QMMMGPOBSA-N	0	1	242.304	0.199	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1	ZINC001079612505	712349556	/nfs/dbraw/zinc/34/95/56/712349556.db2.gz	RTXJMOKUJKJBSX-DGCLKSJQSA-N	0	1	248.326	0.403	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1	ZINC001079644235	712349684	/nfs/dbraw/zinc/34/96/84/712349684.db2.gz	TWQKXMUCQWVNML-NXEZZACHSA-N	0	1	249.318	0.051	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1	ZINC001080647346	712353652	/nfs/dbraw/zinc/35/36/52/712353652.db2.gz	PRYXFIBQRWRCST-PSASIEDQSA-N	0	1	236.275	0.306	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccncn2)C1	ZINC001080640034	712354099	/nfs/dbraw/zinc/35/40/99/712354099.db2.gz	GSLOTHNVMNRTRI-ZYHUDNBSSA-N	0	1	246.314	0.713	20	30		BCEDMN
CCCCCCCNC(=O)CNC(=O)CN	ZINC000703758381	712371961	/nfs/dbraw/zinc/37/19/61/712371961.db2.gz	ZXUGAYNGFVUERU-UHFFFAOYSA-N	0	1	229.324	0.148	20	30		BCEDMN
C#CCNC(=O)CN1CCS[C@@H](C)CC1	ZINC000379448389	712384851	/nfs/dbraw/zinc/38/48/51/712384851.db2.gz	ZLKCIRKKSGLTPC-JTQLQIEISA-N	0	1	226.345	0.563	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C=C1CCC1	ZINC000379455394	712385065	/nfs/dbraw/zinc/38/50/65/712385065.db2.gz	MYRRXFHHWKZGLR-NXEZZACHSA-N	0	1	205.261	0.324	20	30		BCEDMN
C=CCNC1(CO)COC(C)(C)OC1	ZINC000379574120	712388564	/nfs/dbraw/zinc/38/85/64/712388564.db2.gz	JRZBFNDCFAQYIY-UHFFFAOYSA-N	0	1	201.266	0.276	20	30		BCEDMN
C#CCCOC(=O)c1cnc(NC)s1	ZINC000379585143	712389403	/nfs/dbraw/zinc/38/94/03/712389403.db2.gz	PFZNCUALZFSHAT-UHFFFAOYSA-N	0	1	210.258	0.787	20	30		BCEDMN
C#CC(=O)NCc1n[nH]c(-c2ccccc2)n1	ZINC000754003111	712405946	/nfs/dbraw/zinc/40/59/46/712405946.db2.gz	KQRPENDHSLUAJB-UHFFFAOYSA-N	0	1	226.239	0.721	20	30		BCEDMN
C#CC(=O)NCc1nc(-c2ccccc2)n[nH]1	ZINC000754003111	712405947	/nfs/dbraw/zinc/40/59/47/712405947.db2.gz	KQRPENDHSLUAJB-UHFFFAOYSA-N	0	1	226.239	0.721	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000764907310	712412410	/nfs/dbraw/zinc/41/24/10/712412410.db2.gz	IIGZJNUDBKJYJC-VIFPVBQESA-N	0	1	217.276	0.661	20	30		BCEDMN
CN1CC[C@H]1CNc1ccncc1C#N	ZINC000712590720	712435378	/nfs/dbraw/zinc/43/53/78/712435378.db2.gz	FOPRWBCTKWVLGS-JTQLQIEISA-N	0	1	202.261	0.491	20	30		BCEDMN
C=CC[C@H](CO)NCc1cn(CCC)nn1	ZINC000714466951	712490582	/nfs/dbraw/zinc/49/05/82/712490582.db2.gz	FFPWHHYPEFZFHU-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
CC(C)(C#N)C(=O)NC12CCN(CC1)C2	ZINC000715506113	712524013	/nfs/dbraw/zinc/52/40/13/712524013.db2.gz	AFBOSVMUTSCIGW-UHFFFAOYSA-N	0	1	207.277	0.501	20	30		BCEDMN
C=CCNC(=O)CN1CCC(C(C)(C)O)CC1	ZINC000716412496	712559344	/nfs/dbraw/zinc/55/93/44/712559344.db2.gz	JHQQBEKJQWIMBN-UHFFFAOYSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#CCCCS(=O)(=O)NCc1cc(C)[nH]n1	ZINC000716822853	712577000	/nfs/dbraw/zinc/57/70/00/712577000.db2.gz	WXCBNDDSNZNOJM-UHFFFAOYSA-N	0	1	241.316	0.551	20	30		BCEDMN
C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1	ZINC000806605402	712583023	/nfs/dbraw/zinc/58/30/23/712583023.db2.gz	XIZYMJGLOLIVCM-CYBMUJFWSA-N	0	1	243.310	0.887	20	30		BCEDMN
N#CC[C@@H](O)CN(CCO)Cc1ccccc1	ZINC000809573968	712584840	/nfs/dbraw/zinc/58/48/40/712584840.db2.gz	DNTQQGXQFBGYDF-CYBMUJFWSA-N	0	1	234.299	0.755	20	30		BCEDMN
CN(C)C1(C(=O)NCc2ccc(C#N)cn2)CC1	ZINC000854475856	712614244	/nfs/dbraw/zinc/61/42/44/712614244.db2.gz	XPCHWVOOSRNNGW-UHFFFAOYSA-N	0	1	244.298	0.664	20	30		BCEDMN
C[C@@H](O)[C@@H](O)CNCc1ccc(C#N)cc1F	ZINC000717272295	712642059	/nfs/dbraw/zinc/64/20/59/712642059.db2.gz	UUOLJXUGAYDQJJ-PELKAZGASA-N	0	1	238.262	0.529	20	30		BCEDMN
C#CCN1CCC[C@H](Nc2ccnc(C#N)c2)C1	ZINC000884611645	712647984	/nfs/dbraw/zinc/64/79/84/712647984.db2.gz	QQHFHXGXKGRKNB-ZDUSSCGKSA-N	0	1	240.310	0.885	20	30		BCEDMN
OCC#CCNC[C@H](O)c1cccc(F)c1	ZINC000717532721	712660433	/nfs/dbraw/zinc/66/04/33/712660433.db2.gz	PFUFIEIKIJOQGD-LBPRGKRZSA-N	0	1	223.247	0.444	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1ccccc1F	ZINC000717531940	712660437	/nfs/dbraw/zinc/66/04/37/712660437.db2.gz	KRKVGDOKPUWSNL-GFCCVEGCSA-N	0	1	223.247	0.444	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1cccc(F)c1	ZINC000717532720	712660693	/nfs/dbraw/zinc/66/06/93/712660693.db2.gz	PFUFIEIKIJOQGD-GFCCVEGCSA-N	0	1	223.247	0.444	20	30		BCEDMN
C#CC[C@H](CO)NCc1cn2ccccc2n1	ZINC000717733978	712667931	/nfs/dbraw/zinc/66/79/31/712667931.db2.gz	SNFILUFNMXTIPH-LLVKDONJSA-N	0	1	229.283	0.808	20	30		BCEDMN
C#CC[C@@H](CO)Nc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000717734292	712667989	/nfs/dbraw/zinc/66/79/89/712667989.db2.gz	YGAHPNLCBDQARG-VIFPVBQESA-N	0	1	234.255	0.884	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(C#N)o1	ZINC000717777811	712675513	/nfs/dbraw/zinc/67/55/13/712675513.db2.gz	VIRFJLJYNMTRKG-VIFPVBQESA-N	0	1	204.229	0.625	20	30		BCEDMN
C#CC[C@@H](CO)NCc1c(C)noc1C	ZINC000717788018	712677665	/nfs/dbraw/zinc/67/76/65/712677665.db2.gz	QSNLNFKQBHPJPC-JTQLQIEISA-N	0	1	208.261	0.765	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(Cl)cc1	ZINC000718126942	712746258	/nfs/dbraw/zinc/74/62/58/712746258.db2.gz	RTRAWSJZPXKTJB-RYUDHWBXSA-N	0	1	239.702	0.957	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(F)c(F)c1	ZINC000718137601	712747709	/nfs/dbraw/zinc/74/77/09/712747709.db2.gz	RQRMUFGBNYELTJ-CABZTGNLSA-N	0	1	241.237	0.582	20	30		BCEDMN
C[C@H]1[C@@H](NC(=O)c2ccc(C#N)o2)CCN1C	ZINC000719365288	712806261	/nfs/dbraw/zinc/80/62/61/712806261.db2.gz	YQFYNXNWGXPCKQ-WPRPVWTQSA-N	0	1	233.271	0.974	20	30		BCEDMN
N#CCCCN1CCC[C@@H]1CS(N)(=O)=O	ZINC000330363560	136208176	/nfs/dbraw/zinc/20/81/76/136208176.db2.gz	KATPZHJKOGHGPJ-SECBINFHSA-N	0	1	231.321	0.043	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)NC1(C#N)CC1	ZINC000602103863	349442181	/nfs/dbraw/zinc/44/21/81/349442181.db2.gz	QKPGZJMAKVXSBX-VIFPVBQESA-N	0	1	207.277	0.643	20	30		BCEDMN
COCCN(CCC#N)C(=O)[C@@H](C)N(C)C	ZINC000602091573	349446956	/nfs/dbraw/zinc/44/69/56/349446956.db2.gz	KYSBKVKVYZKLCJ-SNVBAGLBSA-N	0	1	227.308	0.325	20	30		BCEDMN
C[C@H](C(=O)N1CC[C@](F)(C#N)C1)N(C)C	ZINC000602144304	349452029	/nfs/dbraw/zinc/45/20/29/349452029.db2.gz	VCHWWCJZHCGGDB-SCZZXKLOSA-N	0	1	213.256	0.401	20	30		BCEDMN
C[N@H+]1CC[C@H]2CCN(c3cc(C#N)ncn3)[C@H]2C1	ZINC000572352032	398143678	/nfs/dbraw/zinc/14/36/78/398143678.db2.gz	PCUWJLSGTOHNBK-JQWIXIFHSA-N	0	1	243.314	0.879	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN(CCCC#N)C1	ZINC000408256659	136213039	/nfs/dbraw/zinc/21/30/39/136213039.db2.gz	MMEQZJQNUDUDRV-SECBINFHSA-N	0	1	210.281	0.293	20	30		BCEDMN
C[N@H+]1CC[C@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1	ZINC000572352031	398144439	/nfs/dbraw/zinc/14/44/39/398144439.db2.gz	PCUWJLSGTOHNBK-CMPLNLGQSA-N	0	1	243.314	0.879	20	30		BCEDMN
C=CCN1CCN(CCOCCOC)CC1	ZINC000649896929	398169466	/nfs/dbraw/zinc/16/94/66/398169466.db2.gz	IKLASYCRJHXJNA-UHFFFAOYSA-N	0	1	228.336	0.453	20	30		BCEDMN
C=CCOCCN1CCN([C@@H]2CCOC2)CC1	ZINC000645101788	398175838	/nfs/dbraw/zinc/17/58/38/398175838.db2.gz	PYURYOLXOYLLJM-CYBMUJFWSA-N	0	1	240.347	0.596	20	30		BCEDMN
C=CCOCCN1CCNC(=O)C[C@@H]1C	ZINC000645102882	398176920	/nfs/dbraw/zinc/17/69/20/398176920.db2.gz	OBGIRAXOMQQZCI-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCn1cc(CN[C@@H](COC)C2CC2)nn1	ZINC000424290440	398179371	/nfs/dbraw/zinc/17/93/71/398179371.db2.gz	BUIPNKMGFONZAM-LBPRGKRZSA-N	0	1	236.319	0.979	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)CN(C)CCCO	ZINC000302313745	136221513	/nfs/dbraw/zinc/22/15/13/136221513.db2.gz	BLPVUXMFPCABKU-LBPRGKRZSA-N	0	1	241.335	0.355	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C[C@H]1COCCN1	ZINC000122475596	136222238	/nfs/dbraw/zinc/22/22/38/136222238.db2.gz	UYFOHGVCEMHGMA-ZJUUUORDSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=C(C)C(C)(C)C(=O)NCCN1CC[C@H](O)C1	ZINC000629917596	361772974	/nfs/dbraw/zinc/77/29/74/361772974.db2.gz	GSEJAAGPBUGAAQ-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H](C)N1	ZINC000602433041	349536584	/nfs/dbraw/zinc/53/65/84/349536584.db2.gz	KNZVNZFWSLDNJV-UWVGGRQHSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000301046436	349537507	/nfs/dbraw/zinc/53/75/07/349537507.db2.gz	OTYNNARIFLTAHZ-AXFHLTTASA-N	0	1	226.320	0.738	20	30		BCEDMN
N#Cc1csc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1	ZINC000157205818	344000667	/nfs/dbraw/zinc/00/06/67/344000667.db2.gz	AJXRTOHBWAOOAU-VIFPVBQESA-N	0	1	235.312	0.927	20	30		BCEDMN
C=CCN(CCOC)C(=O)Cc1ccn[nH]1	ZINC000191969177	538994271	/nfs/dbraw/zinc/99/42/71/538994271.db2.gz	ZZWQCYOSCFOXGY-UHFFFAOYSA-N	0	1	223.276	0.613	20	30		BCEDMN
COCC#CCN[C@@H](CO)c1ccccc1	ZINC000390437772	539021369	/nfs/dbraw/zinc/02/13/69/539021369.db2.gz	TWDDVNNHLMPZFN-ZDUSSCGKSA-N	0	1	219.284	0.959	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H](C)[C@H](O)C1	ZINC000388232400	539014337	/nfs/dbraw/zinc/01/43/37/539014337.db2.gz	YKLHWABBKIAEIT-VXGBXAGGSA-N	0	1	240.347	0.724	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CC(C)(C#N)C1	ZINC000336085386	398315220	/nfs/dbraw/zinc/31/52/20/398315220.db2.gz	QHXJNYXVKKSQAY-VIFPVBQESA-N	0	1	207.277	0.453	20	30		BCEDMN
N#Cc1cccc(CN[C@@]2(CCO)CCOC2)n1	ZINC000602638944	349652491	/nfs/dbraw/zinc/65/24/91/349652491.db2.gz	YRZGQLMWIKDAKS-ZDUSSCGKSA-N	0	1	247.298	0.584	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)CCc1c[nH]nn1	ZINC000601038357	398344665	/nfs/dbraw/zinc/34/46/65/398344665.db2.gz	LUJMDAYPFKVVMA-QMMMGPOBSA-N	0	1	221.264	0.498	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)CCc1cnn[nH]1	ZINC000601038357	398344666	/nfs/dbraw/zinc/34/46/66/398344666.db2.gz	LUJMDAYPFKVVMA-QMMMGPOBSA-N	0	1	221.264	0.498	20	30		BCEDMN
CCN(CC1(CC#N)CC1)[C@@H]1CCNC1=O	ZINC000602823771	349763213	/nfs/dbraw/zinc/76/32/13/349763213.db2.gz	DHGNIFJECIUSSP-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCNC(=O)C(C#N)c1nc(C)cs1	ZINC000122048392	166181629	/nfs/dbraw/zinc/18/16/29/166181629.db2.gz	TYGFRGYUMVTUJX-MRVPVSSYSA-N	0	1	219.269	0.808	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1CC1(CC#N)CC1	ZINC000602837995	349777327	/nfs/dbraw/zinc/77/73/27/349777327.db2.gz	RCHLLYBDXJRLBB-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1CC1(CC#N)CC1	ZINC000602837996	349777589	/nfs/dbraw/zinc/77/75/89/349777589.db2.gz	RCHLLYBDXJRLBB-LBPRGKRZSA-N	0	1	237.347	0.679	20	30		BCEDMN
C[C@@H]1CN(CCc2cn[nH]c2)C[C@H](C)N1CC#N	ZINC000602849711	349784632	/nfs/dbraw/zinc/78/46/32/349784632.db2.gz	MSRZGJTZHYHPAA-TXEJJXNPSA-N	0	1	247.346	0.870	20	30		BCEDMN
COCC1(C#N)CCN(CCOCCO)CC1	ZINC000341974969	536802004	/nfs/dbraw/zinc/80/20/04/536802004.db2.gz	IDQKEDCHGZAJEJ-UHFFFAOYSA-N	0	1	242.319	0.247	20	30		BCEDMN
C[C@H]1CN(CCn2cccn2)C[C@H](C)N1CC#N	ZINC000602850709	349785878	/nfs/dbraw/zinc/78/58/78/349785878.db2.gz	RRLRBIXBEDYHHU-STQMWFEESA-N	0	1	247.346	0.801	20	30		BCEDMN
CC1(C(N)=O)CN(CC2(CC#N)CC2)C1	ZINC000602851476	349786656	/nfs/dbraw/zinc/78/66/56/349786656.db2.gz	KERRUNNFUHEBRU-UHFFFAOYSA-N	0	1	207.277	0.487	20	30		BCEDMN
C=CCCC(=O)NCCN1CCN(C)CC1	ZINC000171099437	187227408	/nfs/dbraw/zinc/22/74/08/187227408.db2.gz	RVXINARLFIIKSO-UHFFFAOYSA-N	0	1	225.336	0.316	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)Sc1c[nH]nn1	ZINC000268127513	166182088	/nfs/dbraw/zinc/18/20/88/166182088.db2.gz	HMDMLIZJBMLISF-ZCFIWIBFSA-N	0	1	210.262	0.035	20	30		BCEDMN
Cc1cc(C#N)nc(NCc2c[nH]nn2)n1	ZINC000309894563	343088190	/nfs/dbraw/zinc/08/81/90/343088190.db2.gz	FIEYMTYXLPHZTJ-UHFFFAOYSA-N	0	1	215.220	0.387	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccnc1	ZINC000035206499	166182242	/nfs/dbraw/zinc/18/22/42/166182242.db2.gz	QKQHAWGHABXBHY-GHMZBOCLSA-N	0	1	231.299	0.870	20	30		BCEDMN
CC(C)OC[C@H](O)CN[C@@H](C)CC#N	ZINC000602864555	349796897	/nfs/dbraw/zinc/79/68/97/349796897.db2.gz	RXAWTIZMZYWRHE-VHSXEESVSA-N	0	1	200.282	0.664	20	30		BCEDMN
COCCN(CCC#N)C(=O)c1ccn[nH]1	ZINC000070798480	343112698	/nfs/dbraw/zinc/11/26/98/343112698.db2.gz	OAVGKAAMIMYSKG-UHFFFAOYSA-N	0	1	222.248	0.412	20	30		BCEDMN
C[C@@H](CCC#N)N1CCN(Cc2nnc[nH]2)CC1	ZINC000602867334	349798772	/nfs/dbraw/zinc/79/87/72/349798772.db2.gz	RZSNXIRFAFUBHV-NSHDSACASA-N	0	1	248.334	0.615	20	30		BCEDMN
CC1CC(C#N)(C(=O)N(C)Cc2nnc[nH]2)C1	ZINC000122383020	343159665	/nfs/dbraw/zinc/15/96/65/343159665.db2.gz	BRDUGMBSGBVIPC-UHFFFAOYSA-N	0	1	233.275	0.703	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CN[C@@H](C)CC#N	ZINC000602871460	349802579	/nfs/dbraw/zinc/80/25/79/349802579.db2.gz	RUTOPWLHTLJXLF-GARJFASQSA-N	0	1	230.308	0.291	20	30		BCEDMN
C=CCOCCN1C[C@@H](C)O[C@@H](COC)C1	ZINC000339112359	136280414	/nfs/dbraw/zinc/28/04/14/136280414.db2.gz	MZQQVPUTMYMECO-VXGBXAGGSA-N	0	1	229.320	0.925	20	30		BCEDMN
C=CCN(CCOC)CCc1cn(C)nn1	ZINC000625367888	343260650	/nfs/dbraw/zinc/26/06/50/343260650.db2.gz	QCSKILKMXGTPOV-UHFFFAOYSA-N	0	1	224.308	0.492	20	30		BCEDMN
Cn1cc([C@H](CO)NCCC(C)(C)C#N)cn1	ZINC000275182566	136285501	/nfs/dbraw/zinc/28/55/01/136285501.db2.gz	NLNRZLFFAAMAGO-NSHDSACASA-N	0	1	236.319	0.983	20	30		BCEDMN
CCc1nc(NC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000479226377	529699526	/nfs/dbraw/zinc/69/95/26/529699526.db2.gz	ZZNQEMXTIQHZCM-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2ccc(C#N)[nH]2)n1	ZINC000479226377	529699528	/nfs/dbraw/zinc/69/95/28/529699528.db2.gz	ZZNQEMXTIQHZCM-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
C=CCCC[N@H+](CCOC)CC(=O)[O-]	ZINC000070593080	343333729	/nfs/dbraw/zinc/33/37/29/343333729.db2.gz	IMXSBSKXGQVKKF-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C#CCNC(=O)[C@H](C)Sc1c[nH]nn1	ZINC000268127510	166184592	/nfs/dbraw/zinc/18/45/92/166184592.db2.gz	HMDMLIZJBMLISF-LURJTMIESA-N	0	1	210.262	0.035	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NC[C@H]1COCCO1	ZINC000329011154	136364634	/nfs/dbraw/zinc/36/46/34/136364634.db2.gz	OPBBCWKWHXCZKW-VHSXEESVSA-N	0	1	228.292	0.453	20	30		BCEDMN
C=C[C@H](CO)Nc1ncnc2[nH]cnc21	ZINC000308945358	346941454	/nfs/dbraw/zinc/94/14/54/346941454.db2.gz	RYZVGOADBHZYKM-ZCFIWIBFSA-N	0	1	205.221	0.312	20	30		BCEDMN
C=CCN(CC=C)C[C@@H](O)CC(=O)OCC	ZINC000135028288	343491455	/nfs/dbraw/zinc/49/14/55/343491455.db2.gz	VVAQIJBYCOFCRP-NSHDSACASA-N	0	1	227.304	0.975	20	30		BCEDMN
C=CCn1cc(C(=O)N(C)CC2CN(C)C2)nn1	ZINC000618188750	343495792	/nfs/dbraw/zinc/49/57/92/343495792.db2.gz	JIFWVPIVTIOTDD-UHFFFAOYSA-N	0	1	249.318	0.098	20	30		BCEDMN
OCC(CO)NCC#Cc1ccccc1Cl	ZINC000570223499	323053263	/nfs/dbraw/zinc/05/32/63/323053263.db2.gz	YNFYCBOWCFUVJX-UHFFFAOYSA-N	0	1	239.702	0.634	20	30		BCEDMN
C#CCN[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000272990778	166192093	/nfs/dbraw/zinc/19/20/93/166192093.db2.gz	KWBSBQPGHUHOFJ-LLVKDONJSA-N	0	1	220.247	0.445	20	30		BCEDMN
CN(CCc1c[nH]nn1)[C@H]1CCC[C@H]1C#N	ZINC000602981882	349832690	/nfs/dbraw/zinc/83/26/90/349832690.db2.gz	KTMXBWKKCBGZIL-ONGXEEELSA-N	0	1	219.292	0.971	20	30		BCEDMN
CN(CCc1c[nH]nn1)[C@@H]1CCC[C@@H]1C#N	ZINC000602981881	349832815	/nfs/dbraw/zinc/83/28/15/349832815.db2.gz	KTMXBWKKCBGZIL-MWLCHTKSSA-N	0	1	219.292	0.971	20	30		BCEDMN
N#Cc1cnc(NCCN2CCC2)cn1	ZINC000380021245	343670414	/nfs/dbraw/zinc/67/04/14/343670414.db2.gz	WLXTXPDLQAIESN-UHFFFAOYSA-N	0	1	203.249	0.466	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@H](O)C[C@@H]1C	ZINC000340920805	343719324	/nfs/dbraw/zinc/71/93/24/343719324.db2.gz	XGRQYIKCTUACDG-NWDGAFQWSA-N	0	1	238.331	0.642	20	30		BCEDMN
C=CCCCCN1CCO[C@@H](C(=O)NC)C1	ZINC000584213226	343774851	/nfs/dbraw/zinc/77/48/51/343774851.db2.gz	PCZDNWMJLRMQHF-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
CC[C@H](CN1CCN(CCC#N)CC1)OC	ZINC000603016626	349857104	/nfs/dbraw/zinc/85/71/04/349857104.db2.gz	IOUWWFRNVQOJSX-GFCCVEGCSA-N	0	1	225.336	0.943	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H](C)N1CC#N	ZINC000603104644	349870301	/nfs/dbraw/zinc/87/03/01/349870301.db2.gz	FWCWRZQCKRBAKJ-NXEZZACHSA-N	0	1	247.302	0.468	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCc1cncc(OC)n1	ZINC000625459288	343862272	/nfs/dbraw/zinc/86/22/72/343862272.db2.gz	FVYHVBZCVZUSLQ-MNOVXSKESA-N	0	1	235.287	0.918	20	30		BCEDMN
N#Cc1cccc(CN[C@]2(CO)CCOC2)n1	ZINC000602611546	343936323	/nfs/dbraw/zinc/93/63/23/343936323.db2.gz	FSBLCQKINJMAIP-LBPRGKRZSA-N	0	1	233.271	0.194	20	30		BCEDMN
Cc1ccnc(NCc2nnc[nH]2)c1C#N	ZINC000135188431	343964757	/nfs/dbraw/zinc/96/47/57/343964757.db2.gz	KWTPNXVGEXYXQJ-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@@H](C#N)C1CC1	ZINC000335973337	344096965	/nfs/dbraw/zinc/09/69/65/344096965.db2.gz	GFKCMUYIEZHMOE-VHSXEESVSA-N	0	1	207.277	0.499	20	30		BCEDMN
CN1CCOC[C@@H]1CNC[C@@H](C#N)CCC#N	ZINC000600755236	344369305	/nfs/dbraw/zinc/36/93/05/344369305.db2.gz	IOCBHEWHPAYNGP-NEPJUHHUSA-N	0	1	236.319	0.350	20	30		BCEDMN
N#CC1(CNCCC(N)=O)CCCCC1	ZINC000600763198	344369797	/nfs/dbraw/zinc/36/97/97/344369797.db2.gz	RWGOCUXKHOGYMV-UHFFFAOYSA-N	0	1	209.293	0.925	20	30		BCEDMN
C[C@@H](NC(=O)c1ccc(C#N)cn1)c1nnc[nH]1	ZINC000176213184	344382913	/nfs/dbraw/zinc/38/29/13/344382913.db2.gz	ZIDKTLGKZPTYBP-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
C[C@H](CNCCC#N)N1C[C@@H](C)O[C@@H](C)C1	ZINC000381449305	344506976	/nfs/dbraw/zinc/50/69/76/344506976.db2.gz	GXLWPYVWQIKYKM-UTUOFQBUSA-N	0	1	225.336	0.987	20	30		BCEDMN
C[C@H](CC#N)NCCN1CCO[C@H](C)C1	ZINC000380115107	344554234	/nfs/dbraw/zinc/55/42/34/344554234.db2.gz	PHJFXUPVMCERPB-GHMZBOCLSA-N	0	1	211.309	0.599	20	30		BCEDMN
Cc1cc(C#N)ccc1CN1C[C@@H](O)[C@@H](O)C1	ZINC000166237462	344811234	/nfs/dbraw/zinc/81/12/34/344811234.db2.gz	VADVANXIAFIGNW-BETUJISGSA-N	0	1	232.283	0.404	20	30		BCEDMN
C=CCN1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000076963947	344811607	/nfs/dbraw/zinc/81/16/07/344811607.db2.gz	KPFJKKDCESSGBT-JTQLQIEISA-N	0	1	232.349	0.434	20	30		BCEDMN
C=CCN1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000076963949	344811764	/nfs/dbraw/zinc/81/17/64/344811764.db2.gz	KPFJKKDCESSGBT-SNVBAGLBSA-N	0	1	232.349	0.434	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C1	ZINC000583436029	344952993	/nfs/dbraw/zinc/95/29/93/344952993.db2.gz	OQNBFBGBBCQZDY-MXWKQRLJSA-N	0	1	235.287	0.971	20	30		BCEDMN
C#C[C@@H](C)NCc1ccc(C(=O)N(C)C)[nH]1	ZINC000289336312	166211342	/nfs/dbraw/zinc/21/13/42/166211342.db2.gz	HGWIHPGIVNBPKN-SECBINFHSA-N	0	1	219.288	0.828	20	30		BCEDMN
CC1(C#N)CCN([C@@H]2COC[C@@H]2O)CC1	ZINC000361348234	345119804	/nfs/dbraw/zinc/11/98/04/345119804.db2.gz	IRYCKRZUTVIICT-ZJUUUORDSA-N	0	1	210.277	0.372	20	30		BCEDMN
CC#CCCN1CCN(c2cnn(C)c2)CC1	ZINC000155894068	345111622	/nfs/dbraw/zinc/11/16/22/345111622.db2.gz	UFJTYXPXQJTUFM-UHFFFAOYSA-N	0	1	232.331	0.956	20	30		BCEDMN
C=C(Cl)CN1CC[C@@H](CC(N)=O)C1	ZINC000367988536	345221190	/nfs/dbraw/zinc/22/11/90/345221190.db2.gz	LIKVVKNMNPOJLJ-QMMMGPOBSA-N	0	1	202.685	0.936	20	30		BCEDMN
CNC(=O)CCN(C)[C@H]1CCC[C@H]1C#N	ZINC000300246476	345434301	/nfs/dbraw/zinc/43/43/01/345434301.db2.gz	KLYZEICXROGIPT-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000136260685	345493914	/nfs/dbraw/zinc/49/39/14/345493914.db2.gz	HWDRHVLBWCBFPK-LLVKDONJSA-N	0	1	235.291	0.793	20	30		BCEDMN
CCN(CCO)Cc1ccnc(C#N)c1	ZINC000082668725	345664827	/nfs/dbraw/zinc/66/48/27/345664827.db2.gz	AIPVREMNOJHVHW-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
C=C[C@H](C)NC(=O)CCCc1nn[nH]n1	ZINC000635673322	345971397	/nfs/dbraw/zinc/97/13/97/345971397.db2.gz	GKMDWQZZVNJTNE-ZETCQYMHSA-N	0	1	209.253	0.213	20	30		BCEDMN
N#CCN1CCC[C@H](N2CCOCC2)CC1	ZINC000585716984	345981087	/nfs/dbraw/zinc/98/10/87/345981087.db2.gz	QEYMEGGCASHRNG-LBPRGKRZSA-N	0	1	223.320	0.697	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601031681	346002044	/nfs/dbraw/zinc/00/20/44/346002044.db2.gz	QPHLRIBYCUEDNC-SNVBAGLBSA-N	0	1	235.291	0.792	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601031681	346002046	/nfs/dbraw/zinc/00/20/46/346002046.db2.gz	QPHLRIBYCUEDNC-SNVBAGLBSA-N	0	1	235.291	0.792	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)CCc1nn[nH]n1	ZINC000601037123	346003135	/nfs/dbraw/zinc/00/31/35/346003135.db2.gz	ONRWTWUWMFQHTD-UHFFFAOYSA-N	0	1	248.290	0.285	20	30		BCEDMN
CN(Cc1ccnc(C#N)c1)C1(CO)CC1	ZINC000586782706	346103418	/nfs/dbraw/zinc/10/34/18/346103418.db2.gz	DLDNVKPYMPUTSK-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000636006189	346148220	/nfs/dbraw/zinc/14/82/20/346148220.db2.gz	WKCVCTXBWKZPCM-RYUDHWBXSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc(N(C)C)nc1	ZINC000641769063	362708437	/nfs/dbraw/zinc/70/84/37/362708437.db2.gz	OWHJRMIZRPYTBE-GFCCVEGCSA-N	0	1	248.330	0.407	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc(CC)nc1	ZINC000641767508	362702784	/nfs/dbraw/zinc/70/27/84/362702784.db2.gz	LLZOUIAFHQUXKS-GFCCVEGCSA-N	0	1	233.315	0.903	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC[C@H](OC)C1	ZINC000170819747	346454629	/nfs/dbraw/zinc/45/46/29/346454629.db2.gz	ABQZRHGQQULWKO-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC(=O)N1CC(NCc2cccc(C#N)c2)C1	ZINC000580093730	346520371	/nfs/dbraw/zinc/52/03/71/346520371.db2.gz	IELWONNQPBEDSI-UHFFFAOYSA-N	0	1	229.283	0.879	20	30		BCEDMN
C=CCN1CCC[C@H](CS(=O)(=O)NC)C1	ZINC000626169203	346610264	/nfs/dbraw/zinc/61/02/64/346610264.db2.gz	HXUHVQOXEWWZAK-JTQLQIEISA-N	0	1	232.349	0.434	20	30		BCEDMN
N#Cc1nccc(N[C@H]2CCCc3cn[nH]c32)n1	ZINC000577149786	365838472	/nfs/dbraw/zinc/83/84/72/365838472.db2.gz	LHTKDGNEPXVPLI-VIFPVBQESA-N	0	1	240.270	0.983	20	30		BCEDMN
N#CCN(C(=O)Cc1ncn[nH]1)C1CCCC1	ZINC000601206347	346667208	/nfs/dbraw/zinc/66/72/08/346667208.db2.gz	WGEFZIBHRXKJGJ-UHFFFAOYSA-N	0	1	233.275	0.642	20	30		BCEDMN
N#Cc1cc(O)cc(C(=O)NCc2nnc[nH]2)c1	ZINC000589169332	346671217	/nfs/dbraw/zinc/67/12/17/346671217.db2.gz	GZASLRYEIKGQHS-UHFFFAOYSA-N	0	1	243.226	0.312	20	30		BCEDMN
COc1cc(CN[C@H]2CCNC2=O)ccc1C#N	ZINC000589573898	346713737	/nfs/dbraw/zinc/71/37/37/346713737.db2.gz	VWZLCGOLFDRMSC-NSHDSACASA-N	0	1	245.282	0.545	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000590433370	347107172	/nfs/dbraw/zinc/10/71/72/347107172.db2.gz	KGVIEVBKMSGHAO-HTQZYQBOSA-N	0	1	233.275	0.643	20	30		BCEDMN
Cc1cc(C#N)cnc1C(=O)NCc1nnc[nH]1	ZINC000590178668	346788924	/nfs/dbraw/zinc/78/89/24/346788924.db2.gz	XINUSPYSUBOREJ-UHFFFAOYSA-N	0	1	242.242	0.310	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NCC1(C#N)CC1	ZINC000571145044	323136469	/nfs/dbraw/zinc/13/64/69/323136469.db2.gz	IUOBGZGILQUEBO-SECBINFHSA-N	0	1	207.277	0.501	20	30		BCEDMN
C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000111277264	347160426	/nfs/dbraw/zinc/16/04/26/347160426.db2.gz	AWEJBPXKNRIVDD-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000111277264	347160428	/nfs/dbraw/zinc/16/04/28/347160428.db2.gz	AWEJBPXKNRIVDD-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CCN[C@H](C)C1	ZINC000188372544	347279037	/nfs/dbraw/zinc/27/90/37/347279037.db2.gz	XJCODZBMWZPKNT-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
N#Cc1cc(C(=O)N2CCN3CCC2CC3)c[nH]1	ZINC000190888225	347336903	/nfs/dbraw/zinc/33/69/03/347336903.db2.gz	WOWGWARQMVQRTF-UHFFFAOYSA-N	0	1	244.298	0.807	20	30		BCEDMN
N#CC1CN(C(=O)[C@H]2CCCN2C2CC2)C1	ZINC000590482290	347354666	/nfs/dbraw/zinc/35/46/66/347354666.db2.gz	JSCNUJLUMYHMSQ-LLVKDONJSA-N	0	1	219.288	0.595	20	30		BCEDMN
C[C@]1(C#N)CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000601469334	347393003	/nfs/dbraw/zinc/39/30/03/347393003.db2.gz	BHURITZDXCCMPQ-SECBINFHSA-N	0	1	240.288	0.334	20	30		BCEDMN
Cc1cc(CNC(=O)c2ccc(C#N)n2C)n[nH]1	ZINC000590638547	347484256	/nfs/dbraw/zinc/48/42/56/347484256.db2.gz	VAZUFUKTQUWXKA-UHFFFAOYSA-N	0	1	243.270	0.858	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N(C)Cc1cnc[nH]1	ZINC000616927292	347460789	/nfs/dbraw/zinc/46/07/89/347460789.db2.gz	DUGNDMKCWUUMJN-NSHDSACASA-N	0	1	223.276	0.695	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@]12CCOC2	ZINC000367445633	347540901	/nfs/dbraw/zinc/54/09/01/347540901.db2.gz	ACYQIHRMUYWCQM-GFCCVEGCSA-N	0	1	224.304	0.544	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@]12CCOC2	ZINC000367445644	347541018	/nfs/dbraw/zinc/54/10/18/347541018.db2.gz	ACYQIHRMUYWCQM-LBPRGKRZSA-N	0	1	224.304	0.544	20	30		BCEDMN
CC[C@H]1CN(C)CCN1C(=O)NC[C@H](C)C#N	ZINC000590936358	347592788	/nfs/dbraw/zinc/59/27/88/347592788.db2.gz	XPLLMQPDPQKPGQ-MNOVXSKESA-N	0	1	238.335	0.882	20	30		BCEDMN
COC[C@@H](C)OC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759619	347692541	/nfs/dbraw/zinc/69/25/41/347692541.db2.gz	QCKNYRNOOGQVHO-MNOVXSKESA-N	0	1	244.335	0.538	20	30		BCEDMN
CCOCC[C@H](O)CNC[C@@H](C)C#N	ZINC000591735054	347693832	/nfs/dbraw/zinc/69/38/32/347693832.db2.gz	YHJUYJGUMGHOON-UWVGGRQHSA-N	0	1	200.282	0.523	20	30		BCEDMN
CCN(C)C(=O)CC[N@H+]1CC[C@@](O)(CC#N)C1	ZINC000592149624	347741095	/nfs/dbraw/zinc/74/10/95/347741095.db2.gz	SHVFFCATKLSHJG-LBPRGKRZSA-N	0	1	239.319	0.205	20	30		BCEDMN
CC(C)OC(=O)CCN1CC[C@](O)(CC#N)C1	ZINC000592150913	347741487	/nfs/dbraw/zinc/74/14/87/347741487.db2.gz	JPYUMSBFAHMBNY-GFCCVEGCSA-N	0	1	240.303	0.679	20	30		BCEDMN
CCc1nc(CN2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000592150411	347741680	/nfs/dbraw/zinc/74/16/80/347741680.db2.gz	BXJGFCQGJLPFSL-NSHDSACASA-N	0	1	235.291	0.218	20	30		BCEDMN
CCC#C[C@H](C)N1C[C@H](O)C[C@@H](C(=O)OC)C1	ZINC000592200919	347752961	/nfs/dbraw/zinc/75/29/61/347752961.db2.gz	WUYOCERLPSMCKC-QJPTWQEYSA-N	0	1	239.315	0.644	20	30		BCEDMN
COC(=O)[C@H]1C[C@H](O)CN(CCCC#N)C1	ZINC000592207040	347757279	/nfs/dbraw/zinc/75/72/79/347757279.db2.gz	OBNWOQAMMLMBAG-UWVGGRQHSA-N	0	1	226.276	0.146	20	30		BCEDMN
C[C@@H](O)CN1CCN([C@H](C)CCC#N)CC1	ZINC000593011212	347841430	/nfs/dbraw/zinc/84/14/30/347841430.db2.gz	NDJZNKBQEICBOK-VXGBXAGGSA-N	0	1	225.336	0.677	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@H](C#N)CC)c1nn[nH]n1	ZINC000593510957	347902202	/nfs/dbraw/zinc/90/22/02/347902202.db2.gz	ZWNVNRJHCCRMGQ-JGVFFNPUSA-N	0	1	236.279	0.707	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000593540586	347909593	/nfs/dbraw/zinc/90/95/93/347909593.db2.gz	CKFADOIZPPIGEQ-IUCAKERBSA-N	0	1	232.287	0.933	20	30		BCEDMN
C[C@H]1C[C@@]1(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000577383429	365940275	/nfs/dbraw/zinc/94/02/75/365940275.db2.gz	WJEKUEVIZIBCIX-KWQFWETISA-N	0	1	233.275	0.403	20	30		BCEDMN
C[C@@H]1C[C@@]1(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000577383428	365940652	/nfs/dbraw/zinc/94/06/52/365940652.db2.gz	WJEKUEVIZIBCIX-KCJUWKMLSA-N	0	1	233.275	0.403	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCN2CCC1CC2	ZINC000593642371	347925490	/nfs/dbraw/zinc/92/54/90/347925490.db2.gz	HNXHLHIPEAMZEI-SNVBAGLBSA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCN1	ZINC000593902578	347967270	/nfs/dbraw/zinc/96/72/70/347967270.db2.gz	AJCALZJGOALSLF-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
CO[C@](C)(CO)CNCc1ccc(C#N)o1	ZINC000594508537	348064787	/nfs/dbraw/zinc/06/47/87/348064787.db2.gz	CRVPPSCCJOWIIM-NSHDSACASA-N	0	1	224.260	0.638	20	30		BCEDMN
CCOC(=O)CC[C@H](O)CNCC1(C#N)CC1	ZINC000591764568	490125501	/nfs/dbraw/zinc/12/55/01/490125501.db2.gz	CEKWUCSXOFCUCT-JTQLQIEISA-N	0	1	240.303	0.584	20	30		BCEDMN
CN(CCC#N)C[C@H](O)CNCC1(C#N)CC1	ZINC000591764623	490125522	/nfs/dbraw/zinc/12/55/22/490125522.db2.gz	ILWSLFZGIGWQJH-LLVKDONJSA-N	0	1	236.319	0.086	20	30		BCEDMN
C[C@H]1CN(C(=O)CCCCC#N)CCN1	ZINC000594424372	348051374	/nfs/dbraw/zinc/05/13/74/348051374.db2.gz	CALCSPAUAPZMDV-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)CCCCC#N	ZINC000594426561	348052396	/nfs/dbraw/zinc/05/23/96/348052396.db2.gz	OXCOMKLTCBYPKB-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
N#CC1(Cn2cc([C@@H](N)CO)nn2)CCCCC1	ZINC000594658391	348093238	/nfs/dbraw/zinc/09/32/38/348093238.db2.gz	RPJHNFIVMBSWMT-JTQLQIEISA-N	0	1	249.318	0.744	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCC2CCC2)c1=O	ZINC000594908337	348136871	/nfs/dbraw/zinc/13/68/71/348136871.db2.gz	IHHYIIJFAXTWBM-UHFFFAOYSA-N	0	1	219.244	0.598	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C[C@H]1CNC(=O)C1	ZINC000595297688	348216867	/nfs/dbraw/zinc/21/68/67/348216867.db2.gz	JGENPJQCBBEZQV-VHSXEESVSA-N	0	1	209.293	0.604	20	30		BCEDMN
C=CCN(C)[C@@H]1CCN(CCC(=O)OC)C1=O	ZINC000595444786	348251371	/nfs/dbraw/zinc/25/13/71/348251371.db2.gz	FLWLEYMIAIOLBO-SNVBAGLBSA-N	0	1	240.303	0.268	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)CC1(C#N)CC1	ZINC000595546838	348267503	/nfs/dbraw/zinc/26/75/03/348267503.db2.gz	IYDBDEDBFYCOMD-UHFFFAOYSA-N	0	1	208.221	0.511	20	30		BCEDMN
C[N@@H+](CCCCC#N)Cc1n[n-]c(=O)o1	ZINC000595546857	348267710	/nfs/dbraw/zinc/26/77/10/348267710.db2.gz	JLYARYMPPJBLDH-UHFFFAOYSA-N	0	1	210.237	0.901	20	30		BCEDMN
CCc1nc([C@H](C)N2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000595560502	348281257	/nfs/dbraw/zinc/28/12/57/348281257.db2.gz	YTIPAMRSXYQWDI-CABZTGNLSA-N	0	1	249.318	0.779	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@H]2CCNC2=O)C1	ZINC000595613447	348288167	/nfs/dbraw/zinc/28/81/67/348288167.db2.gz	DDWBYZKGYNBUSY-UWVGGRQHSA-N	0	1	207.277	0.501	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N(C)Cc1cnc[nH]1	ZINC000595596192	348294046	/nfs/dbraw/zinc/29/40/46/348294046.db2.gz	LPNRUUSRHWTMEW-SNVBAGLBSA-N	0	1	249.318	0.602	20	30		BCEDMN
C=CC[C@@H]1CCCN(CC(=O)NCC#N)C1	ZINC000595659436	348298773	/nfs/dbraw/zinc/29/87/73/348298773.db2.gz	MJCFNCGOCNOCCF-LLVKDONJSA-N	0	1	221.304	0.914	20	30		BCEDMN
Cc1nc(CN([C@@H](C)C#N)C2CC2)n[nH]1	ZINC000595710256	348322172	/nfs/dbraw/zinc/32/21/72/348322172.db2.gz	OQULVQZJDDYHLX-ZETCQYMHSA-N	0	1	205.265	0.990	20	30		BCEDMN
CN1CCN([C@H]2CC[C@H](C#N)C2)CCC1=O	ZINC000595772827	348337287	/nfs/dbraw/zinc/33/72/87/348337287.db2.gz	ODTCMJAYCMAZAX-QWRGUYRKSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCN([C@@H]2CC[C@@H](C#N)C2)CCC1=O	ZINC000595772821	348337400	/nfs/dbraw/zinc/33/74/00/348337400.db2.gz	ODTCMJAYCMAZAX-GHMZBOCLSA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@]1(C#N)CCN(CCCN2CCOCC2)C1	ZINC000595837114	348370655	/nfs/dbraw/zinc/37/06/55/348370655.db2.gz	DJULOAPAPWZTBS-CYBMUJFWSA-N	0	1	237.347	0.944	20	30		BCEDMN
C[C@]1(C#N)CCN(C[C@@]2(O)CCCOC2)C1	ZINC000595842124	348376711	/nfs/dbraw/zinc/37/67/11/348376711.db2.gz	PREDTKOAGIFYJP-NEPJUHHUSA-N	0	1	224.304	0.763	20	30		BCEDMN
CCN1CCN(c2c(C#N)cnn2C)C[C@H]1C	ZINC000596173496	348461819	/nfs/dbraw/zinc/46/18/19/348461819.db2.gz	VSAIEEPYSINOPY-SNVBAGLBSA-N	0	1	233.319	0.822	20	30		BCEDMN
Cn1ncc(C#N)c1NCCN1CCCOCC1	ZINC000596202831	348465096	/nfs/dbraw/zinc/46/50/96/348465096.db2.gz	JSGKPDXACFZCNW-UHFFFAOYSA-N	0	1	249.318	0.426	20	30		BCEDMN
CN(CC1CN(C)C1)c1ccc(C#N)cn1	ZINC000596455050	348541792	/nfs/dbraw/zinc/54/17/92/348541792.db2.gz	ZGHUYFCKWUIWHT-UHFFFAOYSA-N	0	1	216.288	0.951	20	30		BCEDMN
COCc1nc(CNc2ncccc2C#N)n[nH]1	ZINC000596435482	348546177	/nfs/dbraw/zinc/54/61/77/348546177.db2.gz	FLVMZZVQEIAMLP-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2ncccc2C#N)[nH]1	ZINC000596435482	348546179	/nfs/dbraw/zinc/54/61/79/348546179.db2.gz	FLVMZZVQEIAMLP-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N(C)Cc1cnc[nH]1	ZINC000596551411	348587291	/nfs/dbraw/zinc/58/72/91/348587291.db2.gz	PEYNNXXVJUSJKN-MRVPVSSYSA-N	0	1	221.264	0.711	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597039141	348647506	/nfs/dbraw/zinc/64/75/06/348647506.db2.gz	JDHZVQKMMQNSCF-YUMQZZPRSA-N	0	1	233.275	0.643	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597039354	348648017	/nfs/dbraw/zinc/64/80/17/348648017.db2.gz	LHLCQAPUTAZBMD-MRVPVSSYSA-N	0	1	221.264	0.464	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H](C)C#N	ZINC000597084381	348655108	/nfs/dbraw/zinc/65/51/08/348655108.db2.gz	YZEUUKFVWKPSGB-UTINFBMNSA-N	0	1	210.277	0.933	20	30		BCEDMN
Cc1nnc(NC(=O)CC2(C#N)CCOCC2)[nH]1	ZINC000597137303	348661213	/nfs/dbraw/zinc/66/12/13/348661213.db2.gz	PSUWNUPWBDRGIC-UHFFFAOYSA-N	0	1	249.274	0.762	20	30		BCEDMN
CCC[C@H](NC(=O)[C@H](C)CC#N)c1nn[nH]n1	ZINC000597360765	348723112	/nfs/dbraw/zinc/72/31/12/348723112.db2.gz	LMCGZQDASOEZDN-SFYZADRCSA-N	0	1	236.279	0.707	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000597425624	348739859	/nfs/dbraw/zinc/73/98/59/348739859.db2.gz	GOOJEUQACAPDGT-IUCAKERBSA-N	0	1	248.290	0.455	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000597425622	348739769	/nfs/dbraw/zinc/73/97/69/348739769.db2.gz	GOOJEUQACAPDGT-BDAKNGLRSA-N	0	1	248.290	0.455	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2c(C#N)cnn2c1	ZINC000597235205	348701381	/nfs/dbraw/zinc/70/13/81/348701381.db2.gz	GANWJYDKBJDSRK-LLVKDONJSA-N	0	1	243.270	0.237	20	30		BCEDMN
CCc1nc(CNC(=O)[C@@H](C)CC#N)n[nH]1	ZINC000597704599	348786141	/nfs/dbraw/zinc/78/61/41/348786141.db2.gz	WIOFORDQVXVERR-ZETCQYMHSA-N	0	1	221.264	0.533	20	30		BCEDMN
Cc1nc(CC(=O)NCC(C)(C)CC#N)n[nH]1	ZINC000597761625	348798944	/nfs/dbraw/zinc/79/89/44/348798944.db2.gz	UENSFYOTAQACNG-UHFFFAOYSA-N	0	1	235.291	0.712	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)C1(N(C)C)CC1	ZINC000597506474	348746459	/nfs/dbraw/zinc/74/64/59/348746459.db2.gz	ATTCYSKCPMKUGI-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
N#CC1(CC(=O)NCc2nn[nH]n2)CCCCC1	ZINC000597513569	348748461	/nfs/dbraw/zinc/74/84/61/348748461.db2.gz	WEEMHEFVSVZREQ-UHFFFAOYSA-N	0	1	248.290	0.680	20	30		BCEDMN
N#CCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000597491431	348750380	/nfs/dbraw/zinc/75/03/80/348750380.db2.gz	JULDMJKBYNBMNV-SECBINFHSA-N	0	1	232.287	0.935	20	30		BCEDMN
Cc1nc(CC(=O)NCC2(C#N)CCC2)n[nH]1	ZINC000597784064	348816683	/nfs/dbraw/zinc/81/66/83/348816683.db2.gz	BJUUMUMYXPIQFJ-UHFFFAOYSA-N	0	1	233.275	0.466	20	30		BCEDMN
CN(C)C1(C(=O)NCC2(C#N)CCC2)CC1	ZINC000597785500	348817390	/nfs/dbraw/zinc/81/73/90/348817390.db2.gz	MXRNPYWLNRCHHW-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
COC(=O)C12CC(C1)CN2C(=O)C(C)C#N	ZINC000598057170	348875615	/nfs/dbraw/zinc/87/56/15/348875615.db2.gz	OXXRZCGFBVUCNL-OBEAGUGNSA-N	0	1	222.244	0.310	20	30		BCEDMN
C=C(C)CN1CCCC[C@@H]1CNS(C)(=O)=O	ZINC000051734600	348980997	/nfs/dbraw/zinc/98/09/97/348980997.db2.gz	FZNHYTARVOBFDN-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
C[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)N(C)C	ZINC000598409363	348965356	/nfs/dbraw/zinc/96/53/56/348965356.db2.gz	QFMXQASNRJAQQT-ONGXEEELSA-N	0	1	209.293	0.699	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000598414080	348968364	/nfs/dbraw/zinc/96/83/64/348968364.db2.gz	YDBONVZNABJEHU-PWSUYJOCSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000598414080	348968367	/nfs/dbraw/zinc/96/83/67/348968367.db2.gz	YDBONVZNABJEHU-PWSUYJOCSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)CC1(C#N)CC1	ZINC000598745764	349036758	/nfs/dbraw/zinc/03/67/58/349036758.db2.gz	PSCQPTAYIAMRIH-UHFFFAOYSA-N	0	1	236.231	0.427	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)CCCC#N	ZINC000598747297	349037450	/nfs/dbraw/zinc/03/74/50/349037450.db2.gz	ZAWBDGWMTMAXBH-UHFFFAOYSA-N	0	1	224.220	0.427	20	30		BCEDMN
N#Cc1ccc(CN[C@@H]2CCOC[C@H]2O)o1	ZINC000599010537	349076142	/nfs/dbraw/zinc/07/61/42/349076142.db2.gz	ANHPBGFLZGKOKQ-GHMZBOCLSA-N	0	1	222.244	0.391	20	30		BCEDMN
Cc1ccc(C#N)c(NCC[N@H+]2CC[C@@H](O)C2)n1	ZINC000599175991	349103895	/nfs/dbraw/zinc/10/38/95/349103895.db2.gz	MUZISZAYLRYOEA-GFCCVEGCSA-N	0	1	246.314	0.740	20	30		BCEDMN
Cc1ccc(C#N)c(NCCN2CC[C@@H](O)C2)n1	ZINC000599175991	349103899	/nfs/dbraw/zinc/10/38/99/349103899.db2.gz	MUZISZAYLRYOEA-GFCCVEGCSA-N	0	1	246.314	0.740	20	30		BCEDMN
N#Cc1ccncc1NCC[N@@H+]1CC[C@@H](O)C1	ZINC000599176385	349103953	/nfs/dbraw/zinc/10/39/53/349103953.db2.gz	SGNIZBWEHGAFQX-LLVKDONJSA-N	0	1	232.287	0.432	20	30		BCEDMN
N#Cc1ccncc1NCCN1CC[C@@H](O)C1	ZINC000599176385	349103957	/nfs/dbraw/zinc/10/39/57/349103957.db2.gz	SGNIZBWEHGAFQX-LLVKDONJSA-N	0	1	232.287	0.432	20	30		BCEDMN
N#Cc1cccnc1NCCN1CC[C@H](O)C1	ZINC000599202580	349118201	/nfs/dbraw/zinc/11/82/01/349118201.db2.gz	QSUNDNBSRRHSAK-NSHDSACASA-N	0	1	232.287	0.432	20	30		BCEDMN
N#Cc1nccc(N2CCN(CC3CC3)CC2)n1	ZINC000386084337	362940038	/nfs/dbraw/zinc/94/00/38/362940038.db2.gz	HOVFCQOPROLBCJ-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)c1ncn[nH]1)C(=O)OC	ZINC000601780163	349342502	/nfs/dbraw/zinc/34/25/02/349342502.db2.gz	BBYDPTSZCKWBRR-SSDOTTSWSA-N	0	1	238.247	0.042	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)c1nc[nH]n1)C(=O)OC	ZINC000601780163	349342505	/nfs/dbraw/zinc/34/25/05/349342505.db2.gz	BBYDPTSZCKWBRR-SSDOTTSWSA-N	0	1	238.247	0.042	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)CN(C)C)C(=O)OC	ZINC000601786405	349343704	/nfs/dbraw/zinc/34/37/04/349343704.db2.gz	QDTTYHVEIFQSFV-SECBINFHSA-N	0	1	228.292	0.172	20	30		BCEDMN
CN(C(=O)Cc1ncn[nH]1)[C@H]1CCC[C@@H]1C#N	ZINC000601803708	349358705	/nfs/dbraw/zinc/35/87/05/349358705.db2.gz	ZUFPHXMCFSPWDX-BDAKNGLRSA-N	0	1	233.275	0.498	20	30		BCEDMN
N#CC1(C(=O)NCCc2nc[nH]n2)CC2(CC2)C1	ZINC000601601268	349309894	/nfs/dbraw/zinc/30/98/94/349309894.db2.gz	MPSIJNPAMUIZFS-UHFFFAOYSA-N	0	1	245.286	0.547	20	30		BCEDMN
N#CC1(CNC(=O)CCc2c[nH]nn2)CCC1	ZINC000601635833	349318162	/nfs/dbraw/zinc/31/81/62/349318162.db2.gz	DETZMDPFBUBRRL-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
N#CC1(CNC(=O)CCc2cnn[nH]2)CCC1	ZINC000601635833	349318167	/nfs/dbraw/zinc/31/81/67/349318167.db2.gz	DETZMDPFBUBRRL-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
CC(=O)N[C@@H]1C(C)=NN([C@H](C)CC#N)C1=O	ZINC000601934742	349388838	/nfs/dbraw/zinc/38/88/38/349388838.db2.gz	DVXSMNAPIHLWBU-HZGVNTEJSA-N	0	1	222.248	0.011	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n([C@@H](C)CC#N)c1=O	ZINC000601935623	349389823	/nfs/dbraw/zinc/38/98/23/349389823.db2.gz	LEKHNNHZVHRTQT-CBAPKCEASA-N	0	1	237.259	0.686	20	30		BCEDMN
COC(=O)Cc1cc(=O)n([C@H](C)CC#N)[nH]1	ZINC000601935986	349390291	/nfs/dbraw/zinc/39/02/91/349390291.db2.gz	NJRFGWJDVXOFDU-SSDOTTSWSA-N	0	1	223.232	0.440	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)C[C@](C)(O)C1CC1	ZINC000601964214	349402920	/nfs/dbraw/zinc/40/29/20/349402920.db2.gz	IBJIROHRSDGSIT-JLLWLGSASA-N	0	1	226.320	0.648	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)C[C@@](C)(O)C1CC1	ZINC000601964216	349402958	/nfs/dbraw/zinc/40/29/58/349402958.db2.gz	IBJIROHRSDGSIT-YUSALJHKSA-N	0	1	226.320	0.648	20	30		BCEDMN
N#CCN(C(=O)CCCc1nn[nH]n1)C1CC1	ZINC000602079813	349430203	/nfs/dbraw/zinc/43/02/03/349430203.db2.gz	GFMAXWKETUDXFQ-UHFFFAOYSA-N	0	1	234.263	0.037	20	30		BCEDMN
Cc1nnc(NC(=O)c2cnccc2C#N)[nH]1	ZINC000362743721	180013545	/nfs/dbraw/zinc/01/35/45/180013545.db2.gz	BEVDLUBLCVNVQQ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cnccc2C#N)n1	ZINC000362743721	180013548	/nfs/dbraw/zinc/01/35/48/180013548.db2.gz	BEVDLUBLCVNVQQ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
C=CCCCNC(=O)NCCN1CC[C@H](O)C1	ZINC000637102173	350198623	/nfs/dbraw/zinc/19/86/23/350198623.db2.gz	MUHDYOZHBFHFQR-NSHDSACASA-N	0	1	241.335	0.318	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000580783827	350438088	/nfs/dbraw/zinc/43/80/88/350438088.db2.gz	WRTXCXZMQYHFSX-QWRGUYRKSA-N	0	1	237.303	0.079	20	30		BCEDMN
CC#CCN1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000336660699	350429120	/nfs/dbraw/zinc/42/91/20/350429120.db2.gz	BAHWIQUSQOPMFL-LLVKDONJSA-N	0	1	244.360	0.271	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C[C@@H](O)Cn1cccn1	ZINC000336702790	350459267	/nfs/dbraw/zinc/45/92/67/350459267.db2.gz	AJKJPJQGQFEONK-NWDGAFQWSA-N	0	1	236.319	0.726	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CN1CCN(CC)CC1	ZINC000073769686	350773473	/nfs/dbraw/zinc/77/34/73/350773473.db2.gz	VOBYIFBKVAGGDY-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=C1CCN(C[C@@H](O)CC(=O)OCC)CC1	ZINC000382478789	350844668	/nfs/dbraw/zinc/84/46/68/350844668.db2.gz	LWIAYUABBNWGLJ-NSHDSACASA-N	0	1	227.304	0.953	20	30		BCEDMN
N#Cc1ccsc1C(=O)NCc1nnc[nH]1	ZINC000052148147	350936041	/nfs/dbraw/zinc/93/60/41/350936041.db2.gz	RHASNGRJNCJMHA-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
C#CCN[C@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000292380967	350959035	/nfs/dbraw/zinc/95/90/35/350959035.db2.gz	ZEKRTAKJNXCYCP-JQWIXIFHSA-N	0	1	216.284	0.867	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CCC(O)CC1	ZINC000052660143	351037631	/nfs/dbraw/zinc/03/76/31/351037631.db2.gz	AMUKRBJYUWURDE-SNVBAGLBSA-N	0	1	239.319	0.204	20	30		BCEDMN
N#C[C@@H]1CSCCN1C(=O)Cc1ccn[nH]1	ZINC000271714868	363026066	/nfs/dbraw/zinc/02/60/66/363026066.db2.gz	JTUQVCXEZDQUQG-SECBINFHSA-N	0	1	236.300	0.420	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CCCCc1cn[nH]n1	ZINC000273538133	351535125	/nfs/dbraw/zinc/53/51/25/351535125.db2.gz	SMBGNNBHNOENJD-SECBINFHSA-N	0	1	235.291	0.936	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)NCCN1CCCCC1	ZINC000088477222	351805077	/nfs/dbraw/zinc/80/50/77/351805077.db2.gz	AQVSITOSAJFXMY-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000280356974	351840493	/nfs/dbraw/zinc/84/04/93/351840493.db2.gz	VBSHRVUIZYHXRK-ONGXEEELSA-N	0	1	206.289	0.751	20	30		BCEDMN
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C#CCO[N-]C(=O)[C@@H]1CCCC[N@@H+]1CC	ZINC000291294991	353684908	/nfs/dbraw/zinc/68/49/08/353684908.db2.gz	PZINBHXKXQPNPZ-JTQLQIEISA-N	0	1	210.277	0.542	20	30		BCEDMN
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C=CCN(CC=C)C(=O)NC[C@@H]1COCCN1	ZINC000627184808	363439056	/nfs/dbraw/zinc/43/90/56/363439056.db2.gz	XKSJBIPUWAAPEJ-LLVKDONJSA-N	0	1	239.319	0.358	20	30		BCEDMN
C=CCCN(C)C(=O)NC[C@H]1COCCN1	ZINC000627188080	363443897	/nfs/dbraw/zinc/44/38/97/363443897.db2.gz	KLNWULFIGORJMB-JTQLQIEISA-N	0	1	227.308	0.192	20	30		BCEDMN
CC1(C#N)CCN(CCN2CCNC2=O)CC1	ZINC000226318496	535276056	/nfs/dbraw/zinc/27/60/56/535276056.db2.gz	MKKMGHYTWUZHNX-UHFFFAOYSA-N	0	1	236.319	0.637	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NCc1ncnn1C	ZINC000639232564	355215355	/nfs/dbraw/zinc/21/53/55/355215355.db2.gz	LLAKFFVGYKKGTB-ZJUUUORDSA-N	0	1	222.292	0.638	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)CCCCO	ZINC000349954081	355535235	/nfs/dbraw/zinc/53/52/35/355535235.db2.gz	HGMJHCYRJWZCML-UHFFFAOYSA-N	0	1	241.335	0.453	20	30		BCEDMN
Cc1nnc(NC(=O)[C@@H]2COCCN2C)[nH]1	ZINC000329049373	355891503	/nfs/dbraw/zinc/89/15/03/355891503.db2.gz	WATHSHOPRMZHHZ-ZETCQYMHSA-N	0	1	225.252	0.032	20	30		BCEDMN
Cc1n[nH]c(NC(=O)[C@@H]2COCCN2C)n1	ZINC000329049373	355891506	/nfs/dbraw/zinc/89/15/06/355891506.db2.gz	WATHSHOPRMZHHZ-ZETCQYMHSA-N	0	1	225.252	0.032	20	30		BCEDMN
N#CCC(=O)NCCCCN1CCOCC1	ZINC000330875349	355990049	/nfs/dbraw/zinc/99/00/49/355990049.db2.gz	JCQVFGLEFSWRCV-UHFFFAOYSA-N	0	1	225.292	0.129	20	30		BCEDMN
C=C(C)CN(C)C(=O)CN1CCN(CC)CC1	ZINC000351532459	356010160	/nfs/dbraw/zinc/01/01/60/356010160.db2.gz	BBTCWFVKDDWWJP-UHFFFAOYSA-N	0	1	239.363	0.658	20	30		BCEDMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CC(F)C1	ZINC000329754034	356112779	/nfs/dbraw/zinc/11/27/79/356112779.db2.gz	KNAAPPNLLATHHU-MRVPVSSYSA-N	0	1	239.254	0.161	20	30		BCEDMN
O=C(N[C@H]1CCc2ncnn2C1)N1CC(F)C1	ZINC000329754035	356112913	/nfs/dbraw/zinc/11/29/13/356112913.db2.gz	KNAAPPNLLATHHU-QMMMGPOBSA-N	0	1	239.254	0.161	20	30		BCEDMN
O=C(N[C@H]1CCc2c[nH]nc2C1)c1cnn[nH]1	ZINC000329810517	356121516	/nfs/dbraw/zinc/12/15/16/356121516.db2.gz	BOGHJTJALPKKJR-ZETCQYMHSA-N	0	1	232.247	0.390	20	30		BCEDMN
C=CC(C)(C)CNC(=O)N1CCNCC1	ZINC000418250434	192007425	/nfs/dbraw/zinc/00/74/25/192007425.db2.gz	LGECEIYTKHDUEQ-UHFFFAOYSA-N	0	1	211.309	0.813	20	30		BCEDMN
CC1(C(=O)NCCN2CCCOCC2)COC1	ZINC000329998915	356157532	/nfs/dbraw/zinc/15/75/32/356157532.db2.gz	TVSIISSRAAOXTB-UHFFFAOYSA-N	0	1	242.319	0.702	20	30		BCEDMN
Cc1nnccc1NC(=O)N1CC(N(C)C)C1	ZINC000330136906	356174768	/nfs/dbraw/zinc/17/47/68/356174768.db2.gz	ULUHOZZDHUHNRV-UHFFFAOYSA-N	0	1	235.291	0.576	20	30		BCEDMN
Cn1cnc(CNC(=O)[C@H]2CCCN2C2CC2)n1	ZINC000330214215	356184883	/nfs/dbraw/zinc/18/48/83/356184883.db2.gz	GAKPEWRQQUDVOP-SNVBAGLBSA-N	0	1	249.318	0.898	20	30		BCEDMN
C=CCCNC(=O)CSc1nnc(C)[nH]1	ZINC000617616352	356191339	/nfs/dbraw/zinc/19/13/39/356191339.db2.gz	UEHYWVSRJUFMJT-UHFFFAOYSA-N	0	1	226.305	0.898	20	30		BCEDMN
C=CCCNC(=O)CSc1nc(C)n[nH]1	ZINC000617616352	356191343	/nfs/dbraw/zinc/19/13/43/356191343.db2.gz	UEHYWVSRJUFMJT-UHFFFAOYSA-N	0	1	226.305	0.898	20	30		BCEDMN
Cn1cnnc1CNC(=O)[C@@H]1CCCN1C1CC1	ZINC000330257889	356195243	/nfs/dbraw/zinc/19/52/43/356195243.db2.gz	LZGDFPCITOPGCC-JTQLQIEISA-N	0	1	249.318	0.898	20	30		BCEDMN
CCN1CCN(c2ncncc2C#N)C[C@@H]1C	ZINC000384142853	356410148	/nfs/dbraw/zinc/41/01/48/356410148.db2.gz	NOPMKGVMFDNBST-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)NCCN2CCC2)C1	ZINC000333400384	134107829	/nfs/dbraw/zinc/10/78/29/134107829.db2.gz	NSLUIKVAHDWAFC-WDEREUQCSA-N	0	1	236.319	0.684	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)C[C@@H]1CCCN1C	ZINC000420729039	192259200	/nfs/dbraw/zinc/25/92/00/192259200.db2.gz	BOSHEPUWQBEVOG-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C[C@H](CN1CCOCC1)N[C@@H](C)CC#N	ZINC000049504874	356471908	/nfs/dbraw/zinc/47/19/08/356471908.db2.gz	PPRPDWQYZSTKNI-WDEREUQCSA-N	0	1	211.309	0.599	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCCN1CC=C(C)CC1	ZINC000613523361	363473453	/nfs/dbraw/zinc/47/34/53/363473453.db2.gz	FUGOWUOFUGBGFR-CYBMUJFWSA-N	0	1	238.331	0.692	20	30		BCEDMN
CN(CC#N)C(=O)c1ccc2cncn2c1	ZINC000336234096	134140337	/nfs/dbraw/zinc/14/03/37/134140337.db2.gz	SZUJXPKCNWDDKX-UHFFFAOYSA-N	0	1	214.228	0.930	20	30		BCEDMN
C=C(C)CN1CCN(Cc2nnc[nH]2)CC1	ZINC000639722758	356619849	/nfs/dbraw/zinc/61/98/49/356619849.db2.gz	LZCGXXUBNLEQMG-UHFFFAOYSA-N	0	1	221.308	0.498	20	30		BCEDMN
C=CCN1CCN(Cc2nnc[nH]2)CC1	ZINC000639722957	356619889	/nfs/dbraw/zinc/61/98/89/356619889.db2.gz	SQLVTQVWKAKCCS-UHFFFAOYSA-N	0	1	207.281	0.108	20	30		BCEDMN
CO[C@@H](C)CN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000353255862	134162838	/nfs/dbraw/zinc/16/28/38/134162838.db2.gz	PSRCOLKFJFVYAO-QWRGUYRKSA-N	0	1	241.335	0.714	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCCC2)CC1	ZINC000054171283	363563334	/nfs/dbraw/zinc/56/33/34/363563334.db2.gz	HRDKEHCBMGPSCU-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)N1CCN(C)CC1	ZINC000124064742	358512441	/nfs/dbraw/zinc/51/24/41/358512441.db2.gz	MURJNQJHTJOLBV-UHFFFAOYSA-N	0	1	239.363	0.658	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000355118964	134171995	/nfs/dbraw/zinc/17/19/95/134171995.db2.gz	KLKMKDGUMXXPMB-RNCFNFMXSA-N	0	1	249.314	0.710	20	30		BCEDMN
CC(C)c1cc(C(=O)N2CC(O)(CC#N)C2)n[nH]1	ZINC000331425255	535346853	/nfs/dbraw/zinc/34/68/53/535346853.db2.gz	BAIWFYOSNCHRFM-UHFFFAOYSA-N	0	1	248.286	0.634	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1CC#Cc1ccccc1	ZINC000639851091	356855146	/nfs/dbraw/zinc/85/51/46/356855146.db2.gz	YZENPBZMULHEPL-GJZGRUSLSA-N	0	1	245.322	0.856	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)[C@@H](C)[C@H]1C	ZINC000356976832	134181688	/nfs/dbraw/zinc/18/16/88/134181688.db2.gz	BUCDOPYHUVPVIO-WDEREUQCSA-N	0	1	225.336	0.313	20	30		BCEDMN
N#Cc1cnccc1NCCCc1nc[nH]n1	ZINC000399760213	357040637	/nfs/dbraw/zinc/04/06/37/357040637.db2.gz	YBKYLJFAVFEREJ-UHFFFAOYSA-N	0	1	228.259	0.538	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CCc1cnc[nH]1	ZINC000355625533	538798303	/nfs/dbraw/zinc/79/83/03/538798303.db2.gz	ZLEPZMJAPSFATH-SNVBAGLBSA-N	0	1	237.303	0.643	20	30		BCEDMN
C=CCCC(=O)NC[C@@H](C)N1CCN(C)CC1	ZINC000171133000	357275351	/nfs/dbraw/zinc/27/53/51/357275351.db2.gz	VCNDNAGLNOJKBA-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCOCC2(CC2)C1	ZINC000360088634	134198500	/nfs/dbraw/zinc/19/85/00/134198500.db2.gz	MVKMFTSBLDQDIZ-LLVKDONJSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CCc1cnc[nH]1	ZINC000357636615	538831942	/nfs/dbraw/zinc/83/19/42/538831942.db2.gz	GHLUGRWZJPIISZ-JTQLQIEISA-N	0	1	223.276	0.396	20	30		BCEDMN
N#CCCN[C@H]1CCN(CC(F)F)C1	ZINC000582959925	357438583	/nfs/dbraw/zinc/43/85/83/357438583.db2.gz	TZOINYILAFSOHY-QMMMGPOBSA-N	0	1	203.236	0.829	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000583154134	357496934	/nfs/dbraw/zinc/49/69/34/357496934.db2.gz	UQRRUQLIVMMLFB-VXGBXAGGSA-N	0	1	240.347	0.629	20	30		BCEDMN
C[C@H](C(=O)NC(N)=O)N1CCC(CC#N)CC1	ZINC000397178706	357508403	/nfs/dbraw/zinc/50/84/03/357508403.db2.gz	HWVBDIJQCKRTBO-MRVPVSSYSA-N	0	1	238.291	0.195	20	30		BCEDMN
CCN(CC[C@@H]1CCNC1=O)C[C@H](C)C#N	ZINC000395840063	357456839	/nfs/dbraw/zinc/45/68/39/357456839.db2.gz	HGYRBOQCNBNTHO-MNOVXSKESA-N	0	1	223.320	0.994	20	30		BCEDMN
C=CCN(CCOC)C(=O)c1cnc[nH]1	ZINC000361080375	134203205	/nfs/dbraw/zinc/20/32/05/134203205.db2.gz	QWBUTVIOIZXZLN-UHFFFAOYSA-N	0	1	209.249	0.684	20	30		BCEDMN
C[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H]1CO	ZINC000362088546	134208935	/nfs/dbraw/zinc/20/89/35/134208935.db2.gz	FPUAYTCQANULEY-IJLUTSLNSA-N	0	1	221.304	0.990	20	30		BCEDMN
N#CCCCN1CCC[C@@]2(CNC(=O)O2)C1	ZINC000369041288	134221487	/nfs/dbraw/zinc/22/14/87/134221487.db2.gz	NUZWUVVTBMMHDU-LLVKDONJSA-N	0	1	223.276	0.865	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000235285671	357851621	/nfs/dbraw/zinc/85/16/21/357851621.db2.gz	IQGIHMLNLWSHGV-MWLCHTKSSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000235285671	357851624	/nfs/dbraw/zinc/85/16/24/357851624.db2.gz	IQGIHMLNLWSHGV-MWLCHTKSSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)[C@H]1CN(C(C)C)CCO1	ZINC000370606903	134226547	/nfs/dbraw/zinc/22/65/47/134226547.db2.gz	QDRSMENSLAZAAG-SNVBAGLBSA-N	0	1	212.293	0.398	20	30		BCEDMN
N#CCCC1CCN(CC(=O)NC(N)=O)CC1	ZINC000399371641	357904741	/nfs/dbraw/zinc/90/47/41/357904741.db2.gz	MOEGMHVBVBFNGS-UHFFFAOYSA-N	0	1	238.291	0.197	20	30		BCEDMN
CN(C(=O)Cc1ccn[nH]1)C1(C#N)CCC1	ZINC000610424184	357921858	/nfs/dbraw/zinc/92/18/58/357921858.db2.gz	HIBJQVKUTGGLJC-UHFFFAOYSA-N	0	1	218.260	0.857	20	30		BCEDMN
C=C(C)CN1CCN2C(=O)N(C)C[C@@H]2C1	ZINC000373236405	134234066	/nfs/dbraw/zinc/23/40/66/134234066.db2.gz	IHFGPUINJIWMSF-SNVBAGLBSA-N	0	1	209.293	0.614	20	30		BCEDMN
CC#CCCN1CCN(c2ccc(=O)[nH]n2)CC1	ZINC000375180198	134238744	/nfs/dbraw/zinc/23/87/44/134238744.db2.gz	ZLFPZYSLWFFPGE-UHFFFAOYSA-N	0	1	246.314	0.718	20	30		BCEDMN
C[C@@H](C(=O)N[C@]1(C#N)CCSC1)N(C)C	ZINC000610560009	357986912	/nfs/dbraw/zinc/98/69/12/357986912.db2.gz	LNNBUFOAGAXEDC-WPRPVWTQSA-N	0	1	227.333	0.452	20	30		BCEDMN
CC#CCCN1CCN2C(=O)N(C)C[C@@H]2C1	ZINC000376471166	134242339	/nfs/dbraw/zinc/24/23/39/134242339.db2.gz	ITLLBBRUEZVXRY-LLVKDONJSA-N	0	1	221.304	0.451	20	30		BCEDMN
CC#CCN(C)C(=O)CCCCc1cn[nH]n1	ZINC000294683870	491121751	/nfs/dbraw/zinc/12/17/51/491121751.db2.gz	WDTIWBNAZKOLLG-UHFFFAOYSA-N	0	1	234.303	0.999	20	30		BCEDMN
CC[C@H](O)CN1CCN([C@@H](C#N)C(C)C)CC1	ZINC000610762205	358146765	/nfs/dbraw/zinc/14/67/65/358146765.db2.gz	CBUJWKSLXWEFFW-STQMWFEESA-N	0	1	239.363	0.923	20	30		BCEDMN
C=CCN1CCN(CCc2cnccn2)CC1	ZINC000640101567	358194546	/nfs/dbraw/zinc/19/45/46/358194546.db2.gz	SOXMXLPHINWTLL-UHFFFAOYSA-N	0	1	232.331	0.823	20	30		BCEDMN
C=CCCCCN1CCO[C@@H](C(N)=O)C1	ZINC000584820355	358195953	/nfs/dbraw/zinc/19/59/53/358195953.db2.gz	QVJBCZSSTXOETP-SNVBAGLBSA-N	0	1	212.293	0.529	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](O)C(C)(C)C1	ZINC000310258861	358443349	/nfs/dbraw/zinc/44/33/49/358443349.db2.gz	QAPDCZLEPVEGOB-QWRGUYRKSA-N	0	1	240.347	0.770	20	30		BCEDMN
CC(C)(C#N)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000044752908	358552892	/nfs/dbraw/zinc/55/28/92/358552892.db2.gz	UTBFJHRVCBDWFL-VIFPVBQESA-N	0	1	221.304	0.889	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCCN(CC)CC1	ZINC000131192143	358665113	/nfs/dbraw/zinc/66/51/13/358665113.db2.gz	ZZOCFNQGJNHFCV-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)[C@@H]1CCCN(C)C1	ZINC000131309626	358671172	/nfs/dbraw/zinc/67/11/72/358671172.db2.gz	XXFARFJRQTZFNA-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
CC#CCN1CC[C@H](n2cc(C(=O)OC)nn2)C1	ZINC000359975193	358709737	/nfs/dbraw/zinc/70/97/37/358709737.db2.gz	QAKXVKHKBRNMEV-JTQLQIEISA-N	0	1	248.286	0.335	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC2CC2)CC1	ZINC000052165077	358774591	/nfs/dbraw/zinc/77/45/91/358774591.db2.gz	IMQAZGHBOUSRPP-UHFFFAOYSA-N	0	1	237.347	0.316	20	30		BCEDMN
C[C@H](C#N)NC(=O)CN1CCC(C)CC1	ZINC000135324565	358830747	/nfs/dbraw/zinc/83/07/47/358830747.db2.gz	FJCKGUIQTHHXQR-SNVBAGLBSA-N	0	1	209.293	0.747	20	30		BCEDMN
COCC#CCN[C@](C)(COC)CC(=O)OC	ZINC000611141244	358879619	/nfs/dbraw/zinc/87/96/19/358879619.db2.gz	IEUSTSOSUHCCFC-LBPRGKRZSA-N	0	1	243.303	0.194	20	30		BCEDMN
COCC#CCN1CC[C@H](C(=O)OC)C1	ZINC000611194638	359119170	/nfs/dbraw/zinc/11/91/70/359119170.db2.gz	KEXWBKDIPVFTPG-JTQLQIEISA-N	0	1	211.261	0.131	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H](C)O	ZINC000246532208	359145341	/nfs/dbraw/zinc/14/53/41/359145341.db2.gz	PSJWHOWZJBJPIU-MNOVXSKESA-N	0	1	241.335	0.307	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H](C)O	ZINC000246532208	359145344	/nfs/dbraw/zinc/14/53/44/359145344.db2.gz	PSJWHOWZJBJPIU-MNOVXSKESA-N	0	1	241.335	0.307	20	30		BCEDMN
C[C@@H](NCC(=O)NCC#N)c1cccc(C#N)c1	ZINC000611388383	359358321	/nfs/dbraw/zinc/35/83/21/359358321.db2.gz	HCWDLQXILXQEMZ-SNVBAGLBSA-N	0	1	242.282	0.849	20	30		BCEDMN
C[C@@H](C(=O)N1CCSC[C@@H]1C#N)N(C)C	ZINC000611407430	359359971	/nfs/dbraw/zinc/35/99/71/359359971.db2.gz	PDBCOELBMVGCBP-IUCAKERBSA-N	0	1	227.333	0.404	20	30		BCEDMN
CCOC(=O)CC[C@@H](O)CNC[C@@H](C)C#N	ZINC000580434584	359545761	/nfs/dbraw/zinc/54/57/61/359545761.db2.gz	BKVOUZWHLMWIDT-VHSXEESVSA-N	0	1	228.292	0.440	20	30		BCEDMN
Cc1cc(CNC(=O)NCCCC#N)n[nH]1	ZINC000612129938	359688210	/nfs/dbraw/zinc/68/82/10/359688210.db2.gz	LHPWMQRNPIYWJM-UHFFFAOYSA-N	0	1	221.264	0.821	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000612531482	359878714	/nfs/dbraw/zinc/87/87/14/359878714.db2.gz	DXHSRHWTWUOVBL-BXKDBHETSA-N	0	1	235.287	0.840	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000612692686	360005852	/nfs/dbraw/zinc/00/58/52/360005852.db2.gz	CBHFZHXTUNUIHW-PRHODGIISA-N	0	1	235.287	0.320	20	30		BCEDMN
CC[C@@H](CSC)N(C)CC(=O)NCC#N	ZINC000091098055	360103653	/nfs/dbraw/zinc/10/36/53/360103653.db2.gz	BTKTYAGAYSNNCD-VIFPVBQESA-N	0	1	229.349	0.700	20	30		BCEDMN
CC#CCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000613121670	360385381	/nfs/dbraw/zinc/38/53/81/360385381.db2.gz	JLHHAJLAZIKHFS-QMMMGPOBSA-N	0	1	218.260	0.364	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(O)cc1	ZINC000309546117	491151023	/nfs/dbraw/zinc/15/10/23/491151023.db2.gz	ZXLUPQLUUINUNF-UHFFFAOYSA-N	0	1	220.272	0.784	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NCCN1CC[C@@H](O)C1	ZINC000629172254	360920738	/nfs/dbraw/zinc/92/07/38/360920738.db2.gz	WROWAOJCBWSZRL-DGCLKSJQSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)nn1	ZINC000629451021	361077552	/nfs/dbraw/zinc/07/75/52/361077552.db2.gz	FWESHJKKEKARTB-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
CN(CCCC#N)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000336657446	361311186	/nfs/dbraw/zinc/31/11/86/361311186.db2.gz	LXRHVENDWSOMJM-JTQLQIEISA-N	0	1	245.348	0.256	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC[C@H](O)C[C@@H]2C)C1=O	ZINC000429169506	201075973	/nfs/dbraw/zinc/07/59/73/201075973.db2.gz	UJKIKWWCPGVVSA-SDDRHHMPSA-N	0	1	238.331	0.619	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](O)C[C@@H]1C	ZINC000429166097	201076475	/nfs/dbraw/zinc/07/64/75/201076475.db2.gz	HNQWHANBGWJENG-UWVGGRQHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@H](O)C(C)C)C1=O	ZINC000433196939	201169849	/nfs/dbraw/zinc/16/98/49/201169849.db2.gz	OCMRTXYQORKAHW-RYUDHWBXSA-N	0	1	240.347	0.722	20	30		BCEDMN
C=CCN(CC=C)C(=O)CCc1c[nH]nn1	ZINC000630405103	364136783	/nfs/dbraw/zinc/13/67/83/364136783.db2.gz	GFGTWSNXJPWRMZ-UHFFFAOYSA-N	0	1	220.276	0.938	20	30		BCEDMN
C=CCN(CC=C)C(=O)CCc1cnn[nH]1	ZINC000630405103	364136788	/nfs/dbraw/zinc/13/67/88/364136788.db2.gz	GFGTWSNXJPWRMZ-UHFFFAOYSA-N	0	1	220.276	0.938	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000622116347	370720384	/nfs/dbraw/zinc/72/03/84/370720384.db2.gz	VZGIMINCLRLHFE-JTQLQIEISA-N	0	1	241.247	0.061	20	30		BCEDMN
CSC[C@@H](O)CNCC1(C#N)CC1	ZINC000574150761	364996836	/nfs/dbraw/zinc/99/68/36/364996836.db2.gz	IYUMEAKQASCGCB-QMMMGPOBSA-N	0	1	200.307	0.604	20	30		BCEDMN
C=CCCCN1CCO[C@H](CNC(C)=O)C1	ZINC000172181110	365300287	/nfs/dbraw/zinc/30/02/87/365300287.db2.gz	RXWAKAQLHAFTKZ-GFCCVEGCSA-N	0	1	226.320	0.790	20	30		BCEDMN
COc1ccc(Cn2nnnc2CN)cc1C#N	ZINC000575398501	365308809	/nfs/dbraw/zinc/30/88/09/365308809.db2.gz	QJUIYQDBXGWXIB-UHFFFAOYSA-N	0	1	244.258	0.060	20	30		BCEDMN
COCC#CCN[C@H](C)c1cnn(C)c1	ZINC000379948787	541459887	/nfs/dbraw/zinc/45/98/87/541459887.db2.gz	SCBQDBSTWGVASJ-SNVBAGLBSA-N	0	1	207.277	0.721	20	30		BCEDMN
CC(C)COC[C@@H](O)CN[C@@H](C)CC#N	ZINC000068610838	370817714	/nfs/dbraw/zinc/81/77/14/370817714.db2.gz	AUPFGBDRYMINBT-QWRGUYRKSA-N	0	1	214.309	0.912	20	30		BCEDMN
CCN(CCCC(=O)NC)C[C@H](C)C#N	ZINC000068818386	370851374	/nfs/dbraw/zinc/85/13/74/370851374.db2.gz	LAKXSGDTHUTPAA-SNVBAGLBSA-N	0	1	211.309	0.994	20	30		BCEDMN
N#CCNC(=O)c1ccc2[nH]nnc2c1	ZINC000195454188	367361609	/nfs/dbraw/zinc/36/16/09/367361609.db2.gz	JBZARHSXKAWOIG-UHFFFAOYSA-N	0	1	201.189	0.211	20	30		BCEDMN
C=CCOCC[N@H+](CC)CCC(=O)[O-]	ZINC000385780272	367864753	/nfs/dbraw/zinc/86/47/53/367864753.db2.gz	FGPVESLSJCJRGW-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C=CCOCC[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000385845030	367869967	/nfs/dbraw/zinc/86/99/67/367869967.db2.gz	RZMXJCONYHOCED-VIFPVBQESA-N	0	1	201.266	0.842	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000385871325	367872714	/nfs/dbraw/zinc/87/27/14/367872714.db2.gz	ZIVYYXQNIZPXMY-NXEZZACHSA-N	0	1	213.277	0.984	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)[C@@H](C)O)nn1	ZINC000581938904	367966084	/nfs/dbraw/zinc/96/60/84/367966084.db2.gz	AQSFPRBYSSUXAE-DTWKUNHWSA-N	0	1	210.281	0.323	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@](F)(C#N)C2)n[nH]1	ZINC000615606084	368129464	/nfs/dbraw/zinc/12/94/64/368129464.db2.gz	CUBNNTIERUXCSB-JTQLQIEISA-N	0	1	222.223	0.796	20	30		BCEDMN
C=C(C)CCNC(=O)Cc1n[nH]c(C)n1	ZINC000615826577	368464858	/nfs/dbraw/zinc/46/48/58/368464858.db2.gz	QALFWTBHRJQCBD-UHFFFAOYSA-N	0	1	208.265	0.738	20	30		BCEDMN
COCCN(CC#N)C(=O)[C@H]1CCCN1C	ZINC000457187608	203015685	/nfs/dbraw/zinc/01/56/85/203015685.db2.gz	ZQTXSBMHZVLYQO-SNVBAGLBSA-N	0	1	225.292	0.079	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(CC)C[C@H]1CC	ZINC000615961103	368795461	/nfs/dbraw/zinc/79/54/61/368795461.db2.gz	PZEZGMWJADPHOZ-GHMZBOCLSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)C1(N(C)C)CC1	ZINC000616099802	368950304	/nfs/dbraw/zinc/95/03/04/368950304.db2.gz	IMUVFNYUPCAKJX-JTQLQIEISA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(CC)CNC(=O)Cc1n[nH]c(C)n1	ZINC000616116837	368960893	/nfs/dbraw/zinc/96/08/93/368960893.db2.gz	WEEUHYWIGUIZBS-UHFFFAOYSA-N	0	1	208.265	0.738	20	30		BCEDMN
C[C@@H]1CN(CCN[C@H]2CCC[C@@H]2C#N)CCO1	ZINC000459489230	203291893	/nfs/dbraw/zinc/29/18/93/203291893.db2.gz	XKNMMQGRCQIBKU-UPJWGTAASA-N	0	1	237.347	0.989	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)CSCC#N)C2	ZINC000619251863	369308644	/nfs/dbraw/zinc/30/86/44/369308644.db2.gz	SQUKSXSMZGAHJU-UHFFFAOYSA-N	0	1	239.344	0.407	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(CCCF)CC1	ZINC000402596916	369387713	/nfs/dbraw/zinc/38/77/13/369387713.db2.gz	MISGTGRLMYHTLP-LLVKDONJSA-N	0	1	244.310	0.691	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CCOC[C@H]1C#N	ZINC000260198196	370983476	/nfs/dbraw/zinc/98/34/76/370983476.db2.gz	WZIWCVUCIARBDJ-MNOVXSKESA-N	0	1	237.303	0.222	20	30		BCEDMN
N#Cc1csc(CN(CCO)CCO)c1	ZINC000600178738	369512524	/nfs/dbraw/zinc/51/25/24/369512524.db2.gz	FDMRWYUNOPTIKJ-UHFFFAOYSA-N	0	1	226.301	0.406	20	30		BCEDMN
N#Cc1ccc(N2CC(N3CCCC3)C2)nn1	ZINC000601193528	369604928	/nfs/dbraw/zinc/60/49/28/369604928.db2.gz	JLFQCRVOBVSFBJ-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
C=CCCOCC(=O)N1CCCN(C)CC1	ZINC000620159402	369754141	/nfs/dbraw/zinc/75/41/41/369754141.db2.gz	KEBPYEMGBVTBAW-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
COCCOCCNCc1cccc(C#N)n1	ZINC000602520087	369802220	/nfs/dbraw/zinc/80/22/20/369802220.db2.gz	CYHOODCKJRMMGC-UHFFFAOYSA-N	0	1	235.287	0.706	20	30		BCEDMN
CNC(=O)[C@@H](NCc1cccc(C#N)n1)C(C)C	ZINC000602580246	369816230	/nfs/dbraw/zinc/81/62/30/369816230.db2.gz	FRTMEVOHHGRDNF-LBPRGKRZSA-N	0	1	246.314	0.813	20	30		BCEDMN
C[C@]1(C(=O)Nc2cccc(C#N)c2)CNCCO1	ZINC000602602146	369826483	/nfs/dbraw/zinc/82/64/83/369826483.db2.gz	AHJGFAVMXKBXHL-CYBMUJFWSA-N	0	1	245.282	0.875	20	30		BCEDMN
N#Cc1cccc(CN[C@@]2(CO)CCOC2)n1	ZINC000602611545	369829254	/nfs/dbraw/zinc/82/92/54/369829254.db2.gz	FSBLCQKINJMAIP-GFCCVEGCSA-N	0	1	233.271	0.194	20	30		BCEDMN
COC[C@H](CO)NCc1cccc(C#N)n1	ZINC000602637924	369832529	/nfs/dbraw/zinc/83/25/29/369832529.db2.gz	KEHSTCQBHHBZTA-NSHDSACASA-N	0	1	221.260	0.050	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)n1	ZINC000602423787	369785349	/nfs/dbraw/zinc/78/53/49/369785349.db2.gz	GVBKNADXZSZTHN-SNVBAGLBSA-N	0	1	244.298	0.651	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](C(N)=O)C2)n1	ZINC000602427187	369785842	/nfs/dbraw/zinc/78/58/42/369785842.db2.gz	DJHAFNYFGOJSLA-VIFPVBQESA-N	0	1	230.271	0.260	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)Cc1ccc(C#N)nc1	ZINC000602433477	369788664	/nfs/dbraw/zinc/78/86/64/369788664.db2.gz	UHPJKGDETZGFGX-SNVBAGLBSA-N	0	1	244.298	0.316	20	30		BCEDMN
CCc1nc(NC(=O)c2cc(C#N)cn2C)n[nH]1	ZINC000123291481	369794515	/nfs/dbraw/zinc/79/45/15/369794515.db2.gz	ZRJFZGNUNOCDEA-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2cc(C#N)cn2C)n1	ZINC000123291481	369794520	/nfs/dbraw/zinc/79/45/20/369794520.db2.gz	ZRJFZGNUNOCDEA-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
N#Cc1cccc(CN[C@@H](CO)CCF)n1	ZINC000602710096	369844216	/nfs/dbraw/zinc/84/42/16/369844216.db2.gz	DKKINSGLFHXGFY-LLVKDONJSA-N	0	1	223.251	0.763	20	30		BCEDMN
N#Cc1cccc(CNC/C=C/CO)n1	ZINC000602709155	369844945	/nfs/dbraw/zinc/84/49/45/369844945.db2.gz	GQPLUZDAARTFQL-OWOJBTEDSA-N	0	1	203.245	0.591	20	30		BCEDMN
CC(=O)N1CC[C@@H](NCc2cccc(C#N)n2)C1	ZINC000602713498	369846481	/nfs/dbraw/zinc/84/64/81/369846481.db2.gz	CFXMHCTZOOQQBY-CYBMUJFWSA-N	0	1	244.298	0.664	20	30		BCEDMN
COC(=O)[C@H]1C[C@H](NCc2cccc(C#N)n2)C1	ZINC000602718018	369847751	/nfs/dbraw/zinc/84/77/51/369847751.db2.gz	SXDOKWZAWZCEAL-OTCDBFHCSA-N	0	1	245.282	0.994	20	30		BCEDMN
CN(C)C1CN(C(=O)Nc2ccnc(C#N)c2)C1	ZINC000603131031	369894494	/nfs/dbraw/zinc/89/44/94/369894494.db2.gz	IDNRAWXAJJSBCB-UHFFFAOYSA-N	0	1	245.286	0.731	20	30		BCEDMN
C#CCNC(=O)CN1CCCSCC1	ZINC000161623873	370624953	/nfs/dbraw/zinc/62/49/53/370624953.db2.gz	LJUKVQLKBFIRBG-UHFFFAOYSA-N	0	1	212.318	0.175	20	30		BCEDMN
CCN(C[C@@H](C)C#N)S(=O)(=O)c1ncc[nH]1	ZINC000390644316	371223183	/nfs/dbraw/zinc/22/31/83/371223183.db2.gz	NMICRYWLGCBXEX-QMMMGPOBSA-N	0	1	242.304	0.580	20	30		BCEDMN
CCN(C[C@H](C)C#N)S(=O)(=O)c1ncc[nH]1	ZINC000390644315	371223313	/nfs/dbraw/zinc/22/33/13/371223313.db2.gz	NMICRYWLGCBXEX-MRVPVSSYSA-N	0	1	242.304	0.580	20	30		BCEDMN
C#CCNC(=O)CCNCc1occc1C	ZINC000164478308	326413330	/nfs/dbraw/zinc/41/33/30/326413330.db2.gz	WZIJQKVFTXKEIG-UHFFFAOYSA-N	0	1	220.272	0.817	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCCc1nc(C)n[nH]1	ZINC000392616291	371421646	/nfs/dbraw/zinc/42/16/46/371421646.db2.gz	MTFAVRKIMBSLBB-MRVPVSSYSA-N	0	1	221.264	0.322	20	30		BCEDMN
C=CCOCC(=O)N1CCc2nc[nH]c2C1	ZINC000627367141	371586129	/nfs/dbraw/zinc/58/61/29/371586129.db2.gz	LJHKJHKRQPUMRL-UHFFFAOYSA-N	0	1	221.260	0.497	20	30		BCEDMN
C#C[C@H](C)N[C@H]1CCCS(=O)(=O)C1	ZINC000229532148	372161296	/nfs/dbraw/zinc/16/12/96/372161296.db2.gz	MSQNQQXUQLCOHJ-IUCAKERBSA-N	0	1	201.291	0.175	20	30		BCEDMN
C=CC[C@@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000632591391	373024508	/nfs/dbraw/zinc/02/45/08/373024508.db2.gz	VNQDCWDFQJBYNL-SECBINFHSA-N	0	1	241.316	0.996	20	30		BCEDMN
Cc1nc([C@H]2CN(CC#N)CCO2)n[nH]1	ZINC000173662553	205543800	/nfs/dbraw/zinc/54/38/00/205543800.db2.gz	PNPOKAPJTOCYDT-MRVPVSSYSA-N	0	1	207.237	0.010	20	30		BCEDMN
C=C(C)CCNC(=O)CCc1c[nH]nn1	ZINC000633306514	373460057	/nfs/dbraw/zinc/46/00/57/373460057.db2.gz	KIPOLYJPKPHMNQ-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=C(C)CCNC(=O)CCc1cnn[nH]1	ZINC000633306514	373460064	/nfs/dbraw/zinc/46/00/64/373460064.db2.gz	KIPOLYJPKPHMNQ-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
CCN(CC(=O)N(CC#N)CCOC)C1CC1	ZINC000457206988	206121002	/nfs/dbraw/zinc/12/10/02/206121002.db2.gz	UBDPEODLDRTCMS-UHFFFAOYSA-N	0	1	239.319	0.469	20	30		BCEDMN
CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O	ZINC000395345111	383888778	/nfs/dbraw/zinc/88/87/78/383888778.db2.gz	AMKWSTRXOOSOFS-CHWSQXEVSA-N	0	1	232.283	0.750	20	30		BCEDMN
C=CC[C@H](C)NC(=O)c1[nH]nc2c1CNCC2	ZINC000188591022	383987547	/nfs/dbraw/zinc/98/75/47/383987547.db2.gz	HBSFZUYEUOMPID-QMMMGPOBSA-N	0	1	234.303	0.750	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2	ZINC000188591045	383987890	/nfs/dbraw/zinc/98/78/90/383987890.db2.gz	HBSFZUYEUOMPID-MRVPVSSYSA-N	0	1	234.303	0.750	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CC1(CO)CC1	ZINC000186818468	384018542	/nfs/dbraw/zinc/01/85/42/384018542.db2.gz	NGRWQFLSQDKGEV-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCc1cncnc1OC	ZINC000647215480	384003802	/nfs/dbraw/zinc/00/38/02/384003802.db2.gz	VXMKIOTWSRAPJH-MNOVXSKESA-N	0	1	235.287	0.918	20	30		BCEDMN
Cc1ccoc1CNCCn1cnc(C#N)n1	ZINC000285566381	384011683	/nfs/dbraw/zinc/01/16/83/384011683.db2.gz	RZWMGQCRVSYXCM-UHFFFAOYSA-N	0	1	231.259	0.841	20	30		BCEDMN
C#CCCN1CCC(O)(C(=O)OC)CC1	ZINC000376809775	533046985	/nfs/dbraw/zinc/04/69/85/533046985.db2.gz	BSWVSRJJZPRREH-UHFFFAOYSA-N	0	1	211.261	0.010	20	30		BCEDMN
CC1(C)CN(C(=O)NCC2(C#N)CC2)CCN1	ZINC000518735489	384239798	/nfs/dbraw/zinc/23/97/98/384239798.db2.gz	CYJIZUXASNSAHC-UHFFFAOYSA-N	0	1	236.319	0.684	20	30		BCEDMN
Cn1cc(CNC2(C(N)=O)CC2)cc1C#N	ZINC000336701185	384253789	/nfs/dbraw/zinc/25/37/89/384253789.db2.gz	NXOFSQWUCBWNDO-UHFFFAOYSA-N	0	1	218.260	0.004	20	30		BCEDMN
C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC#N	ZINC000094447214	384302638	/nfs/dbraw/zinc/30/26/38/384302638.db2.gz	HTOZGFXAKSYGCG-GHMZBOCLSA-N	0	1	221.304	0.985	20	30		BCEDMN
C#C[C@H](CC)NS(=O)(=O)CCN1CCCC1	ZINC000490742031	384376424	/nfs/dbraw/zinc/37/64/24/384376424.db2.gz	XWRFBAVTIYPIEI-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C=C(C)CCN1CCO[C@@H](CNC(=O)NC)C1	ZINC000528623955	384601826	/nfs/dbraw/zinc/60/18/26/384601826.db2.gz	UOSKUHREEAYCNO-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
CO[C@H]1C[C@@H](C(=O)N(C)[C@H](C)CC#N)N(C)C1	ZINC000408042881	384725001	/nfs/dbraw/zinc/72/50/01/384725001.db2.gz	UTDSYDHERGAIOM-VWYCJHECSA-N	0	1	239.319	0.466	20	30		BCEDMN
Cc1cc(C#N)nc(NCCN2CCC2)n1	ZINC000309906849	384711061	/nfs/dbraw/zinc/71/10/61/384711061.db2.gz	KUBUXILWAAALSU-UHFFFAOYSA-N	0	1	217.276	0.774	20	30		BCEDMN
C#CCNC(=O)c1cn[nH]c1-c1cnn(CC)c1	ZINC000491039390	384743625	/nfs/dbraw/zinc/74/36/25/384743625.db2.gz	ONTYUGGNQSHJMD-UHFFFAOYSA-N	0	1	243.270	0.656	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CC[C@H]2CN(C)C[C@@H]21	ZINC000644302814	384817064	/nfs/dbraw/zinc/81/70/64/384817064.db2.gz	SSHQHUOHVXYXAL-QWRGUYRKSA-N	0	1	244.360	0.528	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CC[C@@H]2CN(C)C[C@@H]21	ZINC000644302813	384817408	/nfs/dbraw/zinc/81/74/08/384817408.db2.gz	SSHQHUOHVXYXAL-MNOVXSKESA-N	0	1	244.360	0.528	20	30		BCEDMN
CCN(CCO)Cc1ccc(C#N)cn1	ZINC000550711538	384785574	/nfs/dbraw/zinc/78/55/74/384785574.db2.gz	YQKFTJQYPLJVJG-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
C[C@]1(C(N)=O)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000361561891	384884227	/nfs/dbraw/zinc/88/42/27/384884227.db2.gz	GWNYXHYPUDNAGJ-PWSUYJOCSA-N	0	1	234.303	0.627	20	30		BCEDMN
C[C@@]1(C(N)=O)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000361561892	384884811	/nfs/dbraw/zinc/88/48/11/384884811.db2.gz	GWNYXHYPUDNAGJ-ZYHUDNBSSA-N	0	1	234.303	0.627	20	30		BCEDMN
CN(CCCSCC#N)Cc1nnc[nH]1	ZINC000177145919	384888792	/nfs/dbraw/zinc/88/87/92/384888792.db2.gz	QXMGBILJZZXVJQ-UHFFFAOYSA-N	0	1	225.321	0.883	20	30		BCEDMN
C#CCN(C(=O)CN1CCN(CC)CC1)C1CC1	ZINC000491821482	384855190	/nfs/dbraw/zinc/85/51/90/384855190.db2.gz	VZBPYQUFGTYYAB-UHFFFAOYSA-N	0	1	249.358	0.248	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000646912304	385065727	/nfs/dbraw/zinc/06/57/27/385065727.db2.gz	QZUFUDFNGNAOSJ-GMSGAONNSA-N	0	1	223.276	0.312	20	30		BCEDMN
N#CCCN1CCC[C@H](c2nc[nH]n2)C1	ZINC000407947835	385084741	/nfs/dbraw/zinc/08/47/41/385084741.db2.gz	HHIBTZJIPISLGH-VIFPVBQESA-N	0	1	205.265	0.898	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)NCc1cn[nH]c1C	ZINC000491298154	385324983	/nfs/dbraw/zinc/32/49/83/385324983.db2.gz	UKYACWXHXJEMAP-LLVKDONJSA-N	0	1	248.286	0.262	20	30		BCEDMN
C#CCN(CC#N)Cc1n[nH]c(CC)n1	ZINC000281257687	533126492	/nfs/dbraw/zinc/12/64/92/533126492.db2.gz	FDNAJKTWZJCWAK-UHFFFAOYSA-N	0	1	203.249	0.326	20	30		BCEDMN
N#CCCN1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000408033791	385540736	/nfs/dbraw/zinc/54/07/36/385540736.db2.gz	PQFAPTGHIRLAFN-WDEREUQCSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)CN(CC)C1CC1	ZINC000491695198	385520981	/nfs/dbraw/zinc/52/09/81/385520981.db2.gz	NWDICHKJJFBPGO-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
Cc1cnn(CCN2CC[C@](O)(CC#N)C2)c1	ZINC000592152673	385567439	/nfs/dbraw/zinc/56/74/39/385567439.db2.gz	ZYKHCUZVEZXQRU-GFCCVEGCSA-N	0	1	234.303	0.542	20	30		BCEDMN
N#Cc1csc(CN[C@@]2(CO)CCOC2)c1	ZINC000184178920	385622515	/nfs/dbraw/zinc/62/25/15/385622515.db2.gz	LNTGCNSKLRCTCQ-LLVKDONJSA-N	0	1	238.312	0.861	20	30		BCEDMN
CC#CCN(C)CCCCS(C)(=O)=O	ZINC000645262227	385670208	/nfs/dbraw/zinc/67/02/08/385670208.db2.gz	GIDXVXHZGWNRFE-UHFFFAOYSA-N	0	1	217.334	0.766	20	30		BCEDMN
C[C@H](C(=O)NC1(C#N)CCCC1)N(C)C	ZINC000602095071	385765495	/nfs/dbraw/zinc/76/54/95/385765495.db2.gz	YDQAOOKFIDBJNB-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
CN(C(=O)[C@H]1CNCCO1)[C@H]1CCC[C@H]1C#N	ZINC000602597349	385809755	/nfs/dbraw/zinc/80/97/55/385809755.db2.gz	BDUSNMZDZFZISW-GARJFASQSA-N	0	1	237.303	0.125	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC(C)(CO)CC1	ZINC000186955885	385817967	/nfs/dbraw/zinc/81/79/67/385817967.db2.gz	MJEDQXUXZNKDKS-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)Nc1nnc(C)[nH]1	ZINC000285787375	385964730	/nfs/dbraw/zinc/96/47/30/385964730.db2.gz	ZENSZDHHHJZHEN-VIFPVBQESA-N	0	1	207.237	0.992	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)Nc1nc(C)n[nH]1	ZINC000285787375	385964736	/nfs/dbraw/zinc/96/47/36/385964736.db2.gz	ZENSZDHHHJZHEN-VIFPVBQESA-N	0	1	207.237	0.992	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN(CC)C1CC1	ZINC000345143143	386009960	/nfs/dbraw/zinc/00/99/60/386009960.db2.gz	AJZCEDAGTDHXDD-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
CCN1CCN(CC(=O)NCCCC#N)CC1	ZINC000345151945	386015297	/nfs/dbraw/zinc/01/52/97/386015297.db2.gz	PFROMPKYBJTAGP-UHFFFAOYSA-N	0	1	238.335	0.044	20	30		BCEDMN
C=C(C)CN(C)[C@H](C)C(=O)NC(=O)NC1CC1	ZINC000181296891	386346457	/nfs/dbraw/zinc/34/64/57/386346457.db2.gz	MEQLSYLOUYKSKE-SECBINFHSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCN1CC[C@H](Sc2c[nH]nn2)C1=O	ZINC000280932590	386359600	/nfs/dbraw/zinc/35/96/00/386359600.db2.gz	HLASDIZZXHTRCU-ZETCQYMHSA-N	0	1	224.289	0.684	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)c1cccnc1	ZINC000519424451	386440165	/nfs/dbraw/zinc/44/01/65/386440165.db2.gz	ZTCCDBQKEBVHBO-WCBMZHEXSA-N	0	1	247.254	0.572	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)c1cccnc1	ZINC000519424452	386441530	/nfs/dbraw/zinc/44/15/30/386441530.db2.gz	ZTCCDBQKEBVHBO-WPRPVWTQSA-N	0	1	247.254	0.572	20	30		BCEDMN
CCN(CC#N)C(=O)c1cccc2nn[nH]c21	ZINC000527358184	386423638	/nfs/dbraw/zinc/42/36/38/386423638.db2.gz	XJVIWJXECJORBF-UHFFFAOYSA-N	0	1	229.243	0.944	20	30		BCEDMN
CCc1nc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000182249434	386581449	/nfs/dbraw/zinc/58/14/49/386581449.db2.gz	WACGVTYBRQKVAU-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2cc(C#N)c[nH]2)n1	ZINC000182249434	386581453	/nfs/dbraw/zinc/58/14/53/386581453.db2.gz	WACGVTYBRQKVAU-UHFFFAOYSA-N	0	1	230.231	0.819	20	30		BCEDMN
C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCC#N	ZINC000408432107	386585280	/nfs/dbraw/zinc/58/52/80/386585280.db2.gz	DHKUIKWWDJWVNS-GMTAPVOTSA-N	0	1	239.319	0.107	20	30		BCEDMN
C=C(C)COCCNCc1cnnn1CC	ZINC000417939574	386591018	/nfs/dbraw/zinc/59/10/18/386591018.db2.gz	WNYAFTPEEPXKDJ-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
Cc1[nH]ncc1CN1CC(O)(CC#N)C1	ZINC000191918020	386531188	/nfs/dbraw/zinc/53/11/88/386531188.db2.gz	STWVQCVSYXEHGX-UHFFFAOYSA-N	0	1	206.249	0.179	20	30		BCEDMN
CO[C@H]1CCN(CC(=O)NCC#N)[C@H](C)C1	ZINC000408424113	386573973	/nfs/dbraw/zinc/57/39/73/386573973.db2.gz	CYQRZKRKGLOCOT-ZJUUUORDSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(CC)CCO	ZINC000049754366	386655492	/nfs/dbraw/zinc/65/54/92/386655492.db2.gz	GFUUOGWBZXHPAP-UHFFFAOYSA-N	0	1	228.336	0.725	20	30		BCEDMN
O=C(NCCN1CCC1)[C@H]1CCC(=O)N1	ZINC000328782865	386625815	/nfs/dbraw/zinc/62/58/15/386625815.db2.gz	JTRSSCJCWDLFGA-MRVPVSSYSA-N	0	1	211.265	0.768	20	30		BCEDMN
N#C[C@@H]1CC[C@@H](N2CCn3c(n[nH]c3=O)C2)C1	ZINC000328846741	386632316	/nfs/dbraw/zinc/63/23/16/386632316.db2.gz	QPKXURKMJFTAHC-RKDXNWHRSA-N	0	1	233.275	0.492	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@](O)(CC)C1	ZINC000425921570	386634122	/nfs/dbraw/zinc/63/41/22/386634122.db2.gz	QGNVXGKMEOHXQO-NSHDSACASA-N	0	1	212.293	0.135	20	30		BCEDMN
[O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC1	ZINC000328856981	386635420	/nfs/dbraw/zinc/63/54/20/386635420.db2.gz	DCGOOVRZYAQSSM-SECBINFHSA-N	0	1	220.276	0.818	20	30		BCEDMN
C[C@H](NC(=O)[C@@H]1COCCN1C)c1nnc[nH]1	ZINC000328985472	386668030	/nfs/dbraw/zinc/66/80/30/386668030.db2.gz	TXPKHPWLPSHCNV-YUMQZZPRSA-N	0	1	239.279	0.153	20	30		BCEDMN
N#CCCCN1CCC[C@H]1CS(N)(=O)=O	ZINC000330363561	386675351	/nfs/dbraw/zinc/67/53/51/386675351.db2.gz	KATPZHJKOGHGPJ-VIFPVBQESA-N	0	1	231.321	0.043	20	30		BCEDMN
Cc1noc([C@@H](C)NC(=O)c2cnn[nH]2)n1	ZINC000330388869	386697942	/nfs/dbraw/zinc/69/79/42/386697942.db2.gz	DKYUHVDFHSJHMS-SCSAIBSYSA-N	0	1	222.208	0.562	20	30		BCEDMN
C[C@@H]1CN(C(=O)CC#N)CCN1CC(C)(C)O	ZINC000408441104	386729018	/nfs/dbraw/zinc/72/90/18/386729018.db2.gz	GWKKOPRZUAUQJO-SNVBAGLBSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@@H](CC#N)N[C@@H]1CCC(=O)NC1(C)C	ZINC000336761180	386757282	/nfs/dbraw/zinc/75/72/82/386757282.db2.gz	NAPYPPFEZRYXPP-DTWKUNHWSA-N	0	1	209.293	0.935	20	30		BCEDMN
COCC#CCN1CC[C@@H](n2cccn2)C1	ZINC000643396982	386741510	/nfs/dbraw/zinc/74/15/10/386741510.db2.gz	PSHNEAWPPJWYLY-GFCCVEGCSA-N	0	1	219.288	0.780	20	30		BCEDMN
Cc1[nH]nc(C(=O)N(C)CC#N)c1[N+](=O)[O-]	ZINC000330609746	386788425	/nfs/dbraw/zinc/78/84/25/386788425.db2.gz	SQRDKJZEADHPII-UHFFFAOYSA-N	0	1	223.192	0.222	20	30		BCEDMN
CN(CC(=O)NCCCC#N)[C@@H]1CCSC1	ZINC000330810493	386894115	/nfs/dbraw/zinc/89/41/15/386894115.db2.gz	BIYIVELWHFFHGG-SNVBAGLBSA-N	0	1	241.360	0.844	20	30		BCEDMN
Cc1nnc(NC(=O)c2cnc(N(C)C)cn2)[nH]1	ZINC000330743805	386877842	/nfs/dbraw/zinc/87/78/42/386877842.db2.gz	CRBILGYISXNWAX-UHFFFAOYSA-N	0	1	247.262	0.605	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cnc(N(C)C)cn2)n1	ZINC000330743805	386877845	/nfs/dbraw/zinc/87/78/45/386877845.db2.gz	CRBILGYISXNWAX-UHFFFAOYSA-N	0	1	247.262	0.605	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NCCN1C(=O)CNC1=O	ZINC000330816218	386896258	/nfs/dbraw/zinc/89/62/58/386896258.db2.gz	GFMHECPBURKLKB-BDAKNGLRSA-N	0	1	236.275	0.024	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)[C@H](C)C(=O)[O-]	ZINC000519002223	386982275	/nfs/dbraw/zinc/98/22/75/386982275.db2.gz	ZORRHHASROULLL-BDAKNGLRSA-N	0	1	201.266	0.718	20	30		BCEDMN
C[C@H]1CN(C(=O)NCC2(CC#N)CC2)CCN1	ZINC000334946742	387108947	/nfs/dbraw/zinc/10/89/47/387108947.db2.gz	YRPZDRJAMFEBGM-JTQLQIEISA-N	0	1	236.319	0.684	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)C[C@H]1CC	ZINC000580396424	387161693	/nfs/dbraw/zinc/16/16/93/387161693.db2.gz	BEZWMIPNMXIGPK-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CC1)[C@H]1CCSC1	ZINC000120435600	387185838	/nfs/dbraw/zinc/18/58/38/387185838.db2.gz	DHTVJORGJQWACK-VIFPVBQESA-N	0	1	239.344	0.596	20	30		BCEDMN
CC(C)[C@H]1CN(C(=O)[C@H](C)C#N)CCN1C	ZINC000336419584	387245209	/nfs/dbraw/zinc/24/52/09/387245209.db2.gz	NFCDNUADGQSDDY-GHMZBOCLSA-N	0	1	223.320	0.945	20	30		BCEDMN
COC(=O)CCN1CCC(F)(C#N)CC1	ZINC000352482681	387249131	/nfs/dbraw/zinc/24/91/31/387249131.db2.gz	HDDRSKYHUYIKBR-UHFFFAOYSA-N	0	1	214.240	0.877	20	30		BCEDMN
C[C@H](CCC#N)N[C@H](CO)c1cnn(C)c1	ZINC000514733252	387281473	/nfs/dbraw/zinc/28/14/73/387281473.db2.gz	HNIFHDUGDMVIOE-MWLCHTKSSA-N	0	1	222.292	0.735	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C(C)C)CC1	ZINC000354434198	387376813	/nfs/dbraw/zinc/37/68/13/387376813.db2.gz	PGCPIGTZCQHTJB-UHFFFAOYSA-N	0	1	226.320	0.742	20	30		BCEDMN
COCCN(CC#N)C(=O)CN1CC[C@@H](C)C1	ZINC000515433679	387378800	/nfs/dbraw/zinc/37/88/00/387378800.db2.gz	XNDNPEBCKTYVMI-LLVKDONJSA-N	0	1	239.319	0.327	20	30		BCEDMN
C#CCN(CCn1cc([N+](=O)[O-])cn1)C1CC1	ZINC000274148663	387494086	/nfs/dbraw/zinc/49/40/86/387494086.db2.gz	KPVMNHWLPDWACT-UHFFFAOYSA-N	0	1	234.259	0.889	20	30		BCEDMN
C=C(Cl)CN1CCc2n[nH]c(=O)cc2C1	ZINC000275023589	387497768	/nfs/dbraw/zinc/49/77/68/387497768.db2.gz	UQJXJHAONRSQGH-UHFFFAOYSA-N	0	1	225.679	0.881	20	30		BCEDMN
C#CCCCC(=O)NCCN1CCSCC1	ZINC000277553072	387536267	/nfs/dbraw/zinc/53/62/67/387536267.db2.gz	UJRXGIJVHKGSGB-UHFFFAOYSA-N	0	1	240.372	0.955	20	30		BCEDMN
C#CCN(CCN1CCCC1=O)C1CC1	ZINC000274223154	387465876	/nfs/dbraw/zinc/46/58/76/387465876.db2.gz	VNFKYWKPVPQHAE-UHFFFAOYSA-N	0	1	206.289	0.706	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCNCC1	ZINC000424058367	387472042	/nfs/dbraw/zinc/47/20/42/387472042.db2.gz	KVGNXCGVTZNTCH-MNOVXSKESA-N	0	1	224.304	0.399	20	30		BCEDMN
N#CCc1ccc(CN2CCOC[C@H](O)C2)cc1	ZINC000399989149	387581547	/nfs/dbraw/zinc/58/15/47/387581547.db2.gz	ORBZJKSHAOWNDY-CQSZACIVSA-N	0	1	246.310	0.946	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NCCN1CC=CCC1	ZINC000527520774	387592044	/nfs/dbraw/zinc/59/20/44/387592044.db2.gz	UETAIQVXPUDQDT-LLVKDONJSA-N	0	1	236.319	0.707	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NO[C@@H]1CCCCO1	ZINC000278956483	387558781	/nfs/dbraw/zinc/55/87/81/387558781.db2.gz	WDZBQQGJDBGVHH-GHMZBOCLSA-N	0	1	229.276	0.888	20	30		BCEDMN
C=CCn1cc(CNC2CCC(O)CC2)nn1	ZINC000424292748	387954614	/nfs/dbraw/zinc/95/46/14/387954614.db2.gz	HFYSQEAOHDQZTI-UHFFFAOYSA-N	0	1	236.319	0.857	20	30		BCEDMN
N#CCNC(=O)CN[C@@H](c1cccnc1)C1CC1	ZINC000445811315	387970502	/nfs/dbraw/zinc/97/05/02/387970502.db2.gz	RCIHZYGEXAWBKG-CYBMUJFWSA-N	0	1	244.298	0.762	20	30		BCEDMN
Cc1n[nH]c(C(=O)NC[C@@H](C)C#N)c1C	ZINC000259703914	135144075	/nfs/dbraw/zinc/14/40/75/135144075.db2.gz	SAXWDFSDQWIVIV-LURJTMIESA-N	0	1	206.249	0.916	20	30		BCEDMN
C#CC(C)(C)NC(=O)CN1CCN(CC)CC1	ZINC000490778655	388253299	/nfs/dbraw/zinc/25/32/99/388253299.db2.gz	IFNKVNYISRNJKF-UHFFFAOYSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000490840536	388256275	/nfs/dbraw/zinc/25/62/75/388256275.db2.gz	OONZTRBRAYKGOG-UHFFFAOYSA-N	0	1	220.184	0.663	20	30		BCEDMN
C#CCN(CC#CC)CCC(=O)N(C)CC	ZINC000490839101	388256331	/nfs/dbraw/zinc/25/63/31/388256331.db2.gz	GEABECKZOHRNAG-UHFFFAOYSA-N	0	1	220.316	0.813	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000456762697	388219230	/nfs/dbraw/zinc/21/92/30/388219230.db2.gz	CICRFORVBQAHFN-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000456779245	388221059	/nfs/dbraw/zinc/22/10/59/388221059.db2.gz	PJJAJUTVVIAANY-VIFPVBQESA-N	0	1	249.314	0.955	20	30		BCEDMN
C#CCN1CCC(C(=O)N(CC)CCO)CC1	ZINC000490575694	388241059	/nfs/dbraw/zinc/24/10/59/388241059.db2.gz	ULVJYXBGUHIPGP-UHFFFAOYSA-N	0	1	238.331	0.172	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CC#N)CC1	ZINC000490594515	388241112	/nfs/dbraw/zinc/24/11/12/388241112.db2.gz	QVWUFIRZLDCBIN-UHFFFAOYSA-N	0	1	219.288	0.314	20	30		BCEDMN
C#CC[N@H+](CC)[C@H](C)CN1CCOCC1	ZINC000490924216	388260314	/nfs/dbraw/zinc/26/03/14/388260314.db2.gz	OGAFPZJQBNOSAW-GFCCVEGCSA-N	0	1	210.321	0.662	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCN(C2CCC2)CC1	ZINC000490656720	388245601	/nfs/dbraw/zinc/24/56/01/388245601.db2.gz	MDLONENWGGRXFB-GFCCVEGCSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000490669594	388246740	/nfs/dbraw/zinc/24/67/40/388246740.db2.gz	IAKBAILLXSTXQV-LLVKDONJSA-N	0	1	223.320	0.601	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@H]1CCCN1C	ZINC000491286192	388282306	/nfs/dbraw/zinc/28/23/06/388282306.db2.gz	HAGOJZHNFSSUDV-GHMZBOCLSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@@H]1CCCN1C	ZINC000491286194	388282374	/nfs/dbraw/zinc/28/23/74/388282374.db2.gz	HAGOJZHNFSSUDV-MNOVXSKESA-N	0	1	208.305	0.999	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1cccc(F)c1	ZINC000491417220	388293093	/nfs/dbraw/zinc/29/30/93/388293093.db2.gz	MUGHJIJTWGGSDG-RYUDHWBXSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1cccc(F)c1	ZINC000491417217	388293371	/nfs/dbraw/zinc/29/33/71/388293371.db2.gz	MUGHJIJTWGGSDG-NEPJUHHUSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#CCNC(=O)CCNCc1cccnc1OC	ZINC000491429110	388294359	/nfs/dbraw/zinc/29/43/59/388294359.db2.gz	RYUDUEUIQSOYBM-UHFFFAOYSA-N	0	1	247.298	0.319	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000491439478	388294821	/nfs/dbraw/zinc/29/48/21/388294821.db2.gz	JYDREVMHWNYCSL-LURJTMIESA-N	0	1	236.231	0.720	20	30		BCEDMN
C#CCNC(=O)CCNCc1cnc(C2CC2)o1	ZINC000491485714	388298187	/nfs/dbraw/zinc/29/81/87/388298187.db2.gz	QNSUUVZFKBELSY-UHFFFAOYSA-N	0	1	247.298	0.781	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@@H](C)C#C)CC1	ZINC000491515506	388300426	/nfs/dbraw/zinc/30/04/26/388300426.db2.gz	NYEBJGMXQWYEON-LBPRGKRZSA-N	0	1	232.327	0.812	20	30		BCEDMN
C#CCO[C@H](C)C(=O)OC[C@@H]1CCCN1CC#C	ZINC000491672272	388309938	/nfs/dbraw/zinc/30/99/38/388309938.db2.gz	ROXHWZMSBQGDHT-OLZOCXBDSA-N	0	1	249.310	0.666	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](CCC)C1	ZINC000491677931	388310175	/nfs/dbraw/zinc/31/01/75/388310175.db2.gz	RYBZTSAPPBXAQO-LBPRGKRZSA-N	0	1	238.331	0.627	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000491704853	388313165	/nfs/dbraw/zinc/31/31/65/388313165.db2.gz	PNQQOQHJCRONKK-SECBINFHSA-N	0	1	247.302	0.893	20	30		BCEDMN
C#CCNC(=O)N1CCNC[C@H]1CCC	ZINC000491724930	388314780	/nfs/dbraw/zinc/31/47/80/388314780.db2.gz	GRKPGVLJRVIPRM-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
C#C[C@H]1COCCN1Cc1n[nH]c(C(C)(C)C)n1	ZINC000491732741	388315990	/nfs/dbraw/zinc/31/59/90/388315990.db2.gz	NKUHUCZOMNYEDN-JTQLQIEISA-N	0	1	248.330	0.936	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC(C)(C)C1	ZINC000491734996	388316038	/nfs/dbraw/zinc/31/60/38/388316038.db2.gz	TZAHZBGMDWYUDL-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CCC(C)=C(C)C2)C1=O	ZINC000491739241	388316647	/nfs/dbraw/zinc/31/66/47/388316647.db2.gz	XJRJDFWHCDITLW-GFCCVEGCSA-N	0	1	246.310	0.789	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H](C)c1nccn1CC	ZINC000491780531	388320300	/nfs/dbraw/zinc/32/03/00/388320300.db2.gz	DPEWRTWHUDIFEP-NSHDSACASA-N	0	1	248.330	0.693	20	30		BCEDMN
C#CCN(CC#N)C(=O)CCCCc1cn[nH]n1	ZINC000491013331	388265088	/nfs/dbraw/zinc/26/50/88/388265088.db2.gz	IYYUHAGWXHGYNA-UHFFFAOYSA-N	0	1	245.286	0.503	20	30		BCEDMN
CC#CCNC(=O)C[N@H+]1CCC(C)(C)C1	ZINC000516979426	388529338	/nfs/dbraw/zinc/52/93/38/388529338.db2.gz	PCEXYIYASBXXEL-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H]([C@@H](C)O)C1	ZINC000136319052	388530522	/nfs/dbraw/zinc/53/05/22/388530522.db2.gz	IOOAUZYVMVMBQN-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H]([C@H](C)O)C1	ZINC000136319005	388530678	/nfs/dbraw/zinc/53/06/78/388530678.db2.gz	IOOAUZYVMVMBQN-QWRGUYRKSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H]([C@H](C)O)C1	ZINC000136318927	388530904	/nfs/dbraw/zinc/53/09/04/388530904.db2.gz	IOOAUZYVMVMBQN-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
C#CCN[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000185873497	256859081	/nfs/dbraw/zinc/85/90/81/256859081.db2.gz	FBZYFJVYLAIEFO-LLVKDONJSA-N	0	1	236.702	0.959	20	30		BCEDMN
C=C[C@@H](O)C(=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000646814655	388551327	/nfs/dbraw/zinc/55/13/27/388551327.db2.gz	JKCKOMQOSOKORU-SNVBAGLBSA-N	0	1	244.254	0.957	20	30		BCEDMN
CC(C)(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000080643867	388561108	/nfs/dbraw/zinc/56/11/08/388561108.db2.gz	JLRMTBJSUMRRGE-UHFFFAOYSA-N	0	1	221.264	0.403	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C	ZINC000528925638	388583456	/nfs/dbraw/zinc/58/34/56/388583456.db2.gz	VXAXUQSSKRCRKM-QRYDPKPESA-N	0	1	220.272	0.733	20	30		BCEDMN
CN(Cc1cccc(C#N)c1)[C@H]1COC[C@@H]1O	ZINC000302354221	388620125	/nfs/dbraw/zinc/62/01/25/388620125.db2.gz	JCFYMMLQDBGEAW-STQMWFEESA-N	0	1	232.283	0.750	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@](O)(CO)C2)c1	ZINC000313679164	388685559	/nfs/dbraw/zinc/68/55/59/388685559.db2.gz	LWWQKOMLBIHIEK-CQSZACIVSA-N	0	1	246.310	0.877	20	30		BCEDMN
C=CCNC(=O)CN(C)CCCOC	ZINC000066865572	388723934	/nfs/dbraw/zinc/72/39/34/388723934.db2.gz	TVKHCRNWINBHRJ-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
C#CCNC(=O)Cc1[nH]nc2ccccc21	ZINC000129128749	388820322	/nfs/dbraw/zinc/82/03/22/388820322.db2.gz	IXIBUNUACLTLHN-UHFFFAOYSA-N	0	1	213.240	0.855	20	30		BCEDMN
CC(F)(F)CCn1c(=O)[nH]cc(C#N)c1=O	ZINC000335475422	388832085	/nfs/dbraw/zinc/83/20/85/388832085.db2.gz	AKFWNIHVANTNIC-UHFFFAOYSA-N	0	1	229.186	0.454	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000649182246	388895513	/nfs/dbraw/zinc/89/55/13/388895513.db2.gz	RHEXSWLAEINKDW-SNVBAGLBSA-N	0	1	249.314	0.578	20	30		BCEDMN
CCOCC[C@H](O)CNCC1(C#N)CC1	ZINC000564864491	388895755	/nfs/dbraw/zinc/89/57/55/388895755.db2.gz	OSSGYAUEDAFEJI-JTQLQIEISA-N	0	1	212.293	0.667	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc(C)n[nH]1	ZINC000565594763	388957747	/nfs/dbraw/zinc/95/77/47/388957747.db2.gz	XASNOHVNFMJKFA-JQWIXIFHSA-N	0	1	249.314	0.968	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)CO[C@H](C)COC	ZINC000565489040	388948435	/nfs/dbraw/zinc/94/84/35/388948435.db2.gz	KGVKEURMRTVGIV-UTUOFQBUSA-N	0	1	244.335	0.681	20	30		BCEDMN
COC(=O)[C@@](C)(NC(=O)C(C)C#N)C1CC1	ZINC000565573364	388953892	/nfs/dbraw/zinc/95/38/92/388953892.db2.gz	LEVVYQWIITZENB-HQJQHLMTSA-N	0	1	224.260	0.604	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1cccnc1	ZINC000272808233	389035595	/nfs/dbraw/zinc/03/55/95/389035595.db2.gz	GHFKPCDBXLTOJX-UHFFFAOYSA-N	0	1	240.328	0.772	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1cn[nH]c1	ZINC000274136943	389045109	/nfs/dbraw/zinc/04/51/09/389045109.db2.gz	WTNBYJZJWDQSDG-IUCAKERBSA-N	0	1	220.276	0.198	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1cnccc1N(C)C	ZINC000185355256	533232875	/nfs/dbraw/zinc/23/28/75/533232875.db2.gz	FDRZQCLQOVITEF-SECBINFHSA-N	0	1	217.272	0.899	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC[C@@H]1CCCO1	ZINC000181245235	533495162	/nfs/dbraw/zinc/49/51/62/533495162.db2.gz	QWNGHPPIPVKPIN-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C[C@@H](O)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000275806187	132205100	/nfs/dbraw/zinc/20/51/00/132205100.db2.gz	KXPPDUDJUVLQME-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
Cc1cc(N2CCN(CCO)CC2)cc(C#N)n1	ZINC000308275206	132294135	/nfs/dbraw/zinc/29/41/35/132294135.db2.gz	DOTAUPZLOXNXRZ-UHFFFAOYSA-N	0	1	246.314	0.376	20	30		BCEDMN
N#CC1(CN(CCO)C2CCOCC2)CC1	ZINC000331958982	134002971	/nfs/dbraw/zinc/00/29/71/134002971.db2.gz	LCOZOEMRACJMAN-UHFFFAOYSA-N	0	1	224.304	0.763	20	30		BCEDMN
Cn1cc(CN2C[C@H](O)C3(CC3)C2)cc1C#N	ZINC000336089552	134077920	/nfs/dbraw/zinc/07/79/20/134077920.db2.gz	IAAOXOCPBQJPGN-LBPRGKRZSA-N	0	1	231.299	0.853	20	30		BCEDMN
C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1nnc[nH]1	ZINC000333434544	134109230	/nfs/dbraw/zinc/10/92/30/134109230.db2.gz	VCXOKDVPGWZBBU-XHNCKOQMSA-N	0	1	248.290	0.857	20	30		BCEDMN
CN(CC#N)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000336439560	134147063	/nfs/dbraw/zinc/14/70/63/134147063.db2.gz	KSTICFDELOBLDD-QMMMGPOBSA-N	0	1	218.260	0.812	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H]1CCCC[C@H]1O	ZINC000305838289	134160716	/nfs/dbraw/zinc/16/07/16/134160716.db2.gz	XYQDCLPFPKDFEW-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@@H](NC(=O)CC(C)(C)C#N)c1nnc[nH]1	ZINC000354319355	134167796	/nfs/dbraw/zinc/16/77/96/134167796.db2.gz	ZZRUBPMUYGWQJB-SSDOTTSWSA-N	0	1	221.264	0.922	20	30		BCEDMN
CN(CCNS(=O)(=O)CCCC#N)C1CC1	ZINC000354458329	134168545	/nfs/dbraw/zinc/16/85/45/134168545.db2.gz	JAAVDWXQHIPZLH-UHFFFAOYSA-N	0	1	245.348	0.304	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@H]1CCCN1C	ZINC000356998886	134181802	/nfs/dbraw/zinc/18/18/02/134181802.db2.gz	UJXNMJGLJRTEHL-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000360214213	134199297	/nfs/dbraw/zinc/19/92/97/134199297.db2.gz	ADMAUGNNDKZIOM-QWRGUYRKSA-N	0	1	246.376	0.965	20	30		BCEDMN
N#CCN(CCN1CCCOCC1)C1CC1	ZINC000361298869	134204099	/nfs/dbraw/zinc/20/40/99/134204099.db2.gz	ZWDUKNLAIKAKEF-UHFFFAOYSA-N	0	1	223.320	0.697	20	30		BCEDMN
CCCN(CC#N)CCN1CCCOCC1	ZINC000361317094	134204542	/nfs/dbraw/zinc/20/45/42/134204542.db2.gz	XUKIZHYQOOUBCO-UHFFFAOYSA-N	0	1	225.336	0.944	20	30		BCEDMN
C#CCNC(=O)C1(N(C)C)Cc2ccccc2C1	ZINC000362933570	134214889	/nfs/dbraw/zinc/21/48/89/134214889.db2.gz	OQQFYNWMFSMBSZ-UHFFFAOYSA-N	0	1	242.322	0.835	20	30		BCEDMN
C#CCCN1CC[C@H](S(=O)(=O)NCC)C1	ZINC000367501792	134215614	/nfs/dbraw/zinc/21/56/14/134215614.db2.gz	BNNKLGAYDNKLLS-JTQLQIEISA-N	0	1	230.333	0.023	20	30		BCEDMN
C#CCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000367756987	134216244	/nfs/dbraw/zinc/21/62/44/134216244.db2.gz	JRLICIXIGOVQKL-SECBINFHSA-N	0	1	232.287	0.590	20	30		BCEDMN
CC#CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC000368976528	134221118	/nfs/dbraw/zinc/22/11/18/134221118.db2.gz	WXUZDFJATLJLCZ-DCAQKATOSA-N	0	1	206.289	0.596	20	30		BCEDMN
C=C(C)CN1CCC[C@H](S(=O)(=O)NC)C1	ZINC000369288339	134222500	/nfs/dbraw/zinc/22/25/00/134222500.db2.gz	PRGUTNVHWDYOKB-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
Cc1[nH]ncc1CN1CCN(C2CC2)[C@@H](C#N)C1	ZINC000371326169	134228213	/nfs/dbraw/zinc/22/82/13/134228213.db2.gz	HYAXKPKTNTUDJA-ZDUSSCGKSA-N	0	1	245.330	0.890	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000300271327	134228241	/nfs/dbraw/zinc/22/82/41/134228241.db2.gz	IQGIHMLNLWSHGV-KOLCDFICSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000300271327	134228242	/nfs/dbraw/zinc/22/82/42/134228242.db2.gz	IQGIHMLNLWSHGV-KOLCDFICSA-N	0	1	240.303	0.474	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)Cc1ccn[nH]1	ZINC000121482940	134233899	/nfs/dbraw/zinc/23/38/99/134233899.db2.gz	QJXBPAMGCBMRMI-SECBINFHSA-N	0	1	220.276	0.960	20	30		BCEDMN
CC#CCNC(=O)[C@@H]1CN(C(C)C)CCO1	ZINC000374048741	134235562	/nfs/dbraw/zinc/23/55/62/134235562.db2.gz	FMFBVESFMDQZQW-NSHDSACASA-N	0	1	224.304	0.235	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)CO	ZINC000305431475	134241460	/nfs/dbraw/zinc/24/14/60/134241460.db2.gz	FDNRNIYWUAHMQV-WDEREUQCSA-N	0	1	241.335	0.307	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000376878299	134243553	/nfs/dbraw/zinc/24/35/53/134243553.db2.gz	TUXJXNXOQSWYKF-RKDXNWHRSA-N	0	1	233.275	0.670	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCCO[C@@H](C)C1	ZINC000170767234	134252934	/nfs/dbraw/zinc/25/29/34/134252934.db2.gz	XKDVSEWMGPJAGU-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
CN(C)CC(=O)N1CCC(C)(C#N)CC1	ZINC000227519655	134382911	/nfs/dbraw/zinc/38/29/11/134382911.db2.gz	PGMZKGAHXFBBMI-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
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C=C[C@H](CO)N[C@H]1CCCN(C(C)C)C1=O	ZINC000662166815	412015837	/nfs/dbraw/zinc/01/58/37/412015837.db2.gz	HSMSDOQOFFMSNN-MNOVXSKESA-N	0	1	226.320	0.522	20	30		BCEDMN
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C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)C(=O)[O-])C1=O	ZINC000662214214	412027713	/nfs/dbraw/zinc/02/77/13/412027713.db2.gz	DQRMQVFXZJLBKC-VHSXEESVSA-N	0	1	240.303	0.568	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000044828221	171218628	/nfs/dbraw/zinc/21/86/28/171218628.db2.gz	DFSYJRZFMCCFOT-NXEZZACHSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@H](C#N)C(=O)Nc1cc(-c2nccn2C)n[nH]1	ZINC000435714383	412185137	/nfs/dbraw/zinc/18/51/37/412185137.db2.gz	QOVNQFQHINUNCX-SSDOTTSWSA-N	0	1	244.258	0.908	20	30		BCEDMN
C=CC[C@@]1(C(=O)NCc2nnc[n-]2)CCC[NH2+]1	ZINC000662690370	412271996	/nfs/dbraw/zinc/27/19/96/412271996.db2.gz	ZWQBWZYSJHWTSB-NSHDSACASA-N	0	1	235.291	0.119	20	30		BCEDMN
N#Cc1cc(NCc2n[nH]c(C3CC3)n2)ncn1	ZINC000596250493	412253875	/nfs/dbraw/zinc/25/38/75/412253875.db2.gz	RERILGQLJRNQLL-UHFFFAOYSA-N	0	1	241.258	0.956	20	30		BCEDMN
C=CC[C@@H]1CCCN(C(=O)C2(O)CNC2)C1	ZINC000662858180	412326794	/nfs/dbraw/zinc/32/67/94/412326794.db2.gz	VTMOMRDFNCFBMM-SNVBAGLBSA-N	0	1	224.304	0.135	20	30		BCEDMN
C=CCC1(NC(=O)[C@@H]2CNCCO2)CCCC1	ZINC000662889046	412336403	/nfs/dbraw/zinc/33/64/03/412336403.db2.gz	QTOREXDNDJOCCG-NSHDSACASA-N	0	1	238.331	0.980	20	30		BCEDMN
CN1CC[N@@H+](C)C[C@@H]1CNCc1ccc(C#N)o1	ZINC000229301920	173075123	/nfs/dbraw/zinc/07/51/23/173075123.db2.gz	PTKYKLCFOUCMBX-NSHDSACASA-N	0	1	248.330	0.487	20	30		BCEDMN
CN1CCN(C)[C@@H](CNCc2ccc(C#N)o2)C1	ZINC000229301920	173075128	/nfs/dbraw/zinc/07/51/28/173075128.db2.gz	PTKYKLCFOUCMBX-NSHDSACASA-N	0	1	248.330	0.487	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2cccnc2C#N)C1	ZINC000130023094	173076026	/nfs/dbraw/zinc/07/60/26/173076026.db2.gz	PHIYGLUYRAXKCR-LLVKDONJSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(CCNc2cc(C#N)ccn2)CC1	ZINC000037760127	173083066	/nfs/dbraw/zinc/08/30/66/173083066.db2.gz	NTIDXILVSBYJNX-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CNC(=O)CNCc1ccc(C#N)cc1	ZINC000037207810	173277224	/nfs/dbraw/zinc/27/72/24/173277224.db2.gz	NLNIMOFUMPQHIG-UHFFFAOYSA-N	0	1	203.245	0.394	20	30		BCEDMN
COCCN1CC[C@@H](Nc2nccnc2C#N)C1	ZINC000264663656	174312817	/nfs/dbraw/zinc/31/28/17/174312817.db2.gz	ZBFHXPXEOVZZPS-SNVBAGLBSA-N	0	1	247.302	0.481	20	30		BCEDMN
COCCNC(=O)C(C#N)c1nc(C)cs1	ZINC000122050765	174325552	/nfs/dbraw/zinc/32/55/52/174325552.db2.gz	KMYKKKGPVANVQN-MRVPVSSYSA-N	0	1	239.300	0.821	20	30		BCEDMN
C[C@@H]1CN(c2cnc(C#N)cn2)[C@H](C)CN1C	ZINC000408053581	176319552	/nfs/dbraw/zinc/31/95/52/176319552.db2.gz	HQGDWNKUYXYSJI-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](O)[C@H](O)C1	ZINC000278622794	177032991	/nfs/dbraw/zinc/03/29/91/177032991.db2.gz	FYBOAZPWIFETFK-OASPWFOLSA-N	0	1	232.283	0.657	20	30		BCEDMN
Cc1nc(CCNc2cc(C)ncc2C#N)n[nH]1	ZINC000399466791	262784211	/nfs/dbraw/zinc/78/42/11/262784211.db2.gz	UAQVPCIOALLYML-UHFFFAOYSA-N	0	1	242.286	0.765	20	30		BCEDMN
Cc1nnc(CCNc2cc(C)ncc2C#N)[nH]1	ZINC000399466791	262784212	/nfs/dbraw/zinc/78/42/12/262784212.db2.gz	UAQVPCIOALLYML-UHFFFAOYSA-N	0	1	242.286	0.765	20	30		BCEDMN
C=CCC[C@@H](O)CN(CC)CC(=O)N(C)C	ZINC000675495318	487741641	/nfs/dbraw/zinc/74/16/41/487741641.db2.gz	MINRGWMVCNVQTM-LLVKDONJSA-N	0	1	228.336	0.724	20	30		BCEDMN
C=C(C)COCCNC(=O)[C@H](C)N(C)C	ZINC000675605741	487751899	/nfs/dbraw/zinc/75/18/99/487751899.db2.gz	OBIQRTSPCCXFON-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)CC1(C)C	ZINC000766712895	585506261	/nfs/dbraw/zinc/50/62/61/585506261.db2.gz	MZWPFOAPJRYYFS-UHFFFAOYSA-N	0	1	225.361	0.520	20	30		BCEDMN
COCC#CCN1CC=C(COC)CC1	ZINC000681472236	487800671	/nfs/dbraw/zinc/80/06/71/487800671.db2.gz	NWYAHDCVVNVLIA-UHFFFAOYSA-N	0	1	209.289	0.915	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCc2n[nH]c(=O)cc2C1	ZINC000681470260	487800772	/nfs/dbraw/zinc/80/07/72/487800772.db2.gz	SYXSRGBOVMDMEF-LLVKDONJSA-N	0	1	235.287	0.477	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000666428256	487804667	/nfs/dbraw/zinc/80/46/67/487804667.db2.gz	LVSZJMRXWUBCDF-AAEUAGOBSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000666428257	487805338	/nfs/dbraw/zinc/80/53/38/487805338.db2.gz	LVSZJMRXWUBCDF-DGCLKSJQSA-N	0	1	240.347	0.914	20	30		BCEDMN
Cc1cc(CNC(=O)C#CC(C)C)n[nH]1	ZINC000827688115	587396232	/nfs/dbraw/zinc/39/62/32/587396232.db2.gz	ZXNKJSJSJXLAJW-UHFFFAOYSA-N	0	1	205.261	0.994	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000846555790	588277201	/nfs/dbraw/zinc/27/72/01/588277201.db2.gz	ZESNMBYUBIOMQP-OPRDCNLKSA-N	0	1	212.293	0.949	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000846555790	588277202	/nfs/dbraw/zinc/27/72/02/588277202.db2.gz	ZESNMBYUBIOMQP-OPRDCNLKSA-N	0	1	212.293	0.949	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C#N)C1	ZINC000594365063	487840035	/nfs/dbraw/zinc/84/00/35/487840035.db2.gz	SAKJVKKWFBVORC-QMMMGPOBSA-N	0	1	218.260	0.570	20	30		BCEDMN
C=CCN(C)CC[C@@H]1CCS(=O)(=O)C1	ZINC000681696778	487841915	/nfs/dbraw/zinc/84/19/15/487841915.db2.gz	PVVLVQQABYLOTG-SNVBAGLBSA-N	0	1	217.334	0.929	20	30		BCEDMN
C=CCN(C)CC[C@H]1CCS(=O)(=O)C1	ZINC000681696777	487842151	/nfs/dbraw/zinc/84/21/51/487842151.db2.gz	PVVLVQQABYLOTG-JTQLQIEISA-N	0	1	217.334	0.929	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCN(CC2CC2)CC1	ZINC000666800780	487882722	/nfs/dbraw/zinc/88/27/22/487882722.db2.gz	NGGOXRHUXHZZKD-ZDUSSCGKSA-N	0	1	238.331	0.478	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCS[C@H](CC)C1	ZINC000247646423	323013566	/nfs/dbraw/zinc/01/35/66/323013566.db2.gz	ULTINYHEZZVEDH-GHMZBOCLSA-N	0	1	240.372	0.952	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@@H]1CCCN1C1CC1	ZINC000562342819	323017137	/nfs/dbraw/zinc/01/71/37/323017137.db2.gz	TUQJZQPFHFSVCY-ONGXEEELSA-N	0	1	221.304	0.889	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccco1	ZINC000064615482	323035701	/nfs/dbraw/zinc/03/57/01/323035701.db2.gz	CCNZRMVJXGQVIT-UHFFFAOYSA-N	0	1	206.245	0.509	20	30		BCEDMN
C[C@@H](CCC#N)[N@H+]1CC[C@@H](S(N)(=O)=O)C1	ZINC000569814394	323041274	/nfs/dbraw/zinc/04/12/74/323041274.db2.gz	WWPHWEAJNIZDRE-DTWKUNHWSA-N	0	1	231.321	0.041	20	30		BCEDMN
C[C@@H](CCC#N)N1CC[C@@H](S(N)(=O)=O)C1	ZINC000569814394	323041275	/nfs/dbraw/zinc/04/12/75/323041275.db2.gz	WWPHWEAJNIZDRE-DTWKUNHWSA-N	0	1	231.321	0.041	20	30		BCEDMN
C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1nnc[nH]1	ZINC000159170141	323075002	/nfs/dbraw/zinc/07/50/02/323075002.db2.gz	PRMBMSOMCUJCAT-LURJTMIESA-N	0	1	230.231	0.495	20	30		BCEDMN
C[C@@H](CCC#N)N1CCN2CCOC[C@@H]2C1	ZINC000563221023	323104508	/nfs/dbraw/zinc/10/45/08/323104508.db2.gz	QLDPUZZABBKWQK-RYUDHWBXSA-N	0	1	223.320	0.695	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000535726542	323189290	/nfs/dbraw/zinc/18/92/90/323189290.db2.gz	QMUVYRIAGCGSQM-YFKPBYRVSA-N	0	1	223.192	0.207	20	30		BCEDMN
C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000571702191	323467263	/nfs/dbraw/zinc/46/72/63/323467263.db2.gz	DWIABEHMHFIFEL-ZETCQYMHSA-N	0	1	243.288	0.167	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CNCC1(C#N)CC1	ZINC000571993297	323518894	/nfs/dbraw/zinc/51/88/94/323518894.db2.gz	DAWKXTVGUXUUDI-WDEREUQCSA-N	0	1	242.319	0.292	20	30		BCEDMN
CC#CCN(C)C[C@H](O)CC(=O)OCC	ZINC000599431091	487961476	/nfs/dbraw/zinc/96/14/76/487961476.db2.gz	QIYPGWDRYQFZKN-SNVBAGLBSA-N	0	1	213.277	0.256	20	30		BCEDMN
CC#CCCNC(=O)[C@@H](C)CN1CCOCC1	ZINC000542673177	325040763	/nfs/dbraw/zinc/04/07/63/325040763.db2.gz	JCGQTOHXAZHYCR-LBPRGKRZSA-N	0	1	238.331	0.484	20	30		BCEDMN
Cc1ccccc1[C@H](CO)NCC(=O)NCC#N	ZINC000543839737	325116688	/nfs/dbraw/zinc/11/66/88/325116688.db2.gz	MWHQBEBRHUUMFQ-LBPRGKRZSA-N	0	1	247.298	0.258	20	30		BCEDMN
N#CCSCCCN1CCCC[C@H]1C(N)=O	ZINC000074981392	325273621	/nfs/dbraw/zinc/27/36/21/325273621.db2.gz	LQEMIPCXZFBDMR-JTQLQIEISA-N	0	1	241.360	0.973	20	30		BCEDMN
CC(C)(C(=O)N1CCO[C@H](C#N)C1)c1c[nH]cn1	ZINC000547757659	325392785	/nfs/dbraw/zinc/39/27/85/325392785.db2.gz	KJZQUUDMIBEEDT-SECBINFHSA-N	0	1	248.286	0.438	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN(CCOC)CC1	ZINC000677133142	487968140	/nfs/dbraw/zinc/96/81/40/487968140.db2.gz	JRIZSXIIAXMRIU-LBPRGKRZSA-N	0	1	228.336	0.187	20	30		BCEDMN
CC(C)COC[C@H](O)CNC[C@@H](C)C#N	ZINC000564857767	325818702	/nfs/dbraw/zinc/81/87/02/325818702.db2.gz	YBFJEQBAHOEIEX-WDEREUQCSA-N	0	1	214.309	0.769	20	30		BCEDMN
Cc1ccccc1OC[C@H](O)CNCC#CCO	ZINC000566234054	326020424	/nfs/dbraw/zinc/02/04/24/326020424.db2.gz	OVUVHPXVJPCNKE-CYBMUJFWSA-N	0	1	249.310	0.320	20	30		BCEDMN
N#CCC[C@@H](C#N)CNC[C@H](O)C1CC1	ZINC000567111173	326118054	/nfs/dbraw/zinc/11/80/54/326118054.db2.gz	MAPXBEUPIPVFMI-ONGXEEELSA-N	0	1	207.277	0.790	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](CC)CC(=O)[O-]	ZINC000567358981	326173692	/nfs/dbraw/zinc/17/36/92/326173692.db2.gz	DFANVXBWMMCJIY-VIFPVBQESA-N	0	1	201.266	0.720	20	30		BCEDMN
CC(=O)NCCN(C)Cc1cc(C#N)n(C)c1	ZINC000567905227	326280536	/nfs/dbraw/zinc/28/05/36/326280536.db2.gz	LORBFOQAXBKJLV-UHFFFAOYSA-N	0	1	234.303	0.465	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000568104984	326309167	/nfs/dbraw/zinc/30/91/67/326309167.db2.gz	KYGNRQZBKUTYDK-CMPLNLGQSA-N	0	1	239.319	0.373	20	30		BCEDMN
CC(CO)(CO)CNC[C@H](C#N)CCC#N	ZINC000568983496	326384526	/nfs/dbraw/zinc/38/45/26/326384526.db2.gz	KDLKVKWWMVVVCY-JTQLQIEISA-N	0	1	225.292	0.010	20	30		BCEDMN
Cc1n[nH]c(C(C)C)c1C(=O)NCC#CCO	ZINC000569019821	326387243	/nfs/dbraw/zinc/38/72/43/326387243.db2.gz	OTFZSMBNZZYIPK-UHFFFAOYSA-N	0	1	235.287	0.567	20	30		BCEDMN
COC[C@@](C)(O)CCNC[C@H](C#N)CCC#N	ZINC000569112259	326390610	/nfs/dbraw/zinc/39/06/10/326390610.db2.gz	VXVWSFFWJNYDFO-RYUDHWBXSA-N	0	1	239.319	0.807	20	30		BCEDMN
COC[C@](C)(O)CCNC[C@H](C#N)CCC#N	ZINC000569112258	326390674	/nfs/dbraw/zinc/39/06/74/326390674.db2.gz	VXVWSFFWJNYDFO-NWDGAFQWSA-N	0	1	239.319	0.807	20	30		BCEDMN
COCC#CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC000682538998	487981420	/nfs/dbraw/zinc/98/14/20/487981420.db2.gz	MNBIMIYKOHWYED-TUAOUCFPSA-N	0	1	236.315	0.222	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCN(CC)[C@@H](C)C1	ZINC000677192719	487994180	/nfs/dbraw/zinc/99/41/80/487994180.db2.gz	YGOAYSZEPHWENV-NWDGAFQWSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=CCCOCCNC(=O)[C@H](C)N(C)C	ZINC000677466140	488042792	/nfs/dbraw/zinc/04/27/92/488042792.db2.gz	MOHULXLPNSLNSI-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
C=CCC1(C(=O)NCc2nn[nH]n2)CCC1	ZINC000682898247	488062116	/nfs/dbraw/zinc/06/21/16/488062116.db2.gz	QXFAUUDXOFJQQN-UHFFFAOYSA-N	0	1	221.264	0.562	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C(F)F)C1	ZINC000677735812	488114746	/nfs/dbraw/zinc/11/47/46/488114746.db2.gz	HMRSLUJGXYVSRQ-MRVPVSSYSA-N	0	1	218.247	0.876	20	30		BCEDMN
COCC#CCN1CC[C@@H](N2CCCC2=O)C1	ZINC000677819717	488135826	/nfs/dbraw/zinc/13/58/26/488135826.db2.gz	NMQXQALWKWVWDN-GFCCVEGCSA-N	0	1	236.315	0.333	20	30		BCEDMN
C=CCN1CC[C@H](N(CCCO)C2CC2)C1=O	ZINC000685001128	487489487	/nfs/dbraw/zinc/48/94/87/487489487.db2.gz	MDTUCNGIOJVRHD-LBPRGKRZSA-N	0	1	238.331	0.620	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCc1n[nH]c(COC)n1	ZINC000666120796	487504566	/nfs/dbraw/zinc/50/45/66/487504566.db2.gz	TVHZFWXOKVNTJE-ZETCQYMHSA-N	0	1	239.279	0.325	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCc1nnc(COC)[nH]1	ZINC000666120796	487504570	/nfs/dbraw/zinc/50/45/70/487504570.db2.gz	TVHZFWXOKVNTJE-ZETCQYMHSA-N	0	1	239.279	0.325	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2ccccn12	ZINC000381626487	487517234	/nfs/dbraw/zinc/51/72/34/487517234.db2.gz	LFKSPBFFIIIASM-SNVBAGLBSA-N	0	1	217.272	0.971	20	30		BCEDMN
COCC#CCN1CC[C@H](N2CCCC2=O)C1	ZINC000677819718	488135778	/nfs/dbraw/zinc/13/57/78/488135778.db2.gz	NMQXQALWKWVWDN-LBPRGKRZSA-N	0	1	236.315	0.333	20	30		BCEDMN
C=CCOCCNC(=O)c1ccnc(CN)c1	ZINC000379720221	488147611	/nfs/dbraw/zinc/14/76/11/488147611.db2.gz	ZGKCWTUBEODRFL-UHFFFAOYSA-N	0	1	235.287	0.473	20	30		BCEDMN
C=CCOCCNC(=O)NCc1cc(C)[nH]n1	ZINC000679489840	488354892	/nfs/dbraw/zinc/35/48/92/488354892.db2.gz	HOYLXMAQHUDWIF-UHFFFAOYSA-N	0	1	238.291	0.720	20	30		BCEDMN
C=CCOCCNC(=O)c1[nH]nc(C)c1C	ZINC000679578727	488359176	/nfs/dbraw/zinc/35/91/76/488359176.db2.gz	RGJGHEBBYXGWJT-UHFFFAOYSA-N	0	1	223.276	0.959	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000669012574	490166377	/nfs/dbraw/zinc/16/63/77/490166377.db2.gz	GIOAAFWYVLRNLV-GHMZBOCLSA-N	0	1	226.320	0.332	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccccc1Cl	ZINC000491622940	491079430	/nfs/dbraw/zinc/07/94/30/491079430.db2.gz	JKKDRMSVHHBUQV-CABZTGNLSA-N	0	1	239.702	0.957	20	30		BCEDMN
COC(=O)NCCNC[C@H](C#N)CCC#N	ZINC000496042744	534120282	/nfs/dbraw/zinc/12/02/82/534120282.db2.gz	INBYPVOKKIZZML-VIFPVBQESA-N	0	1	224.264	0.376	20	30		BCEDMN
COC(=O)NCCNC[C@@H](C#N)CCC#N	ZINC000496042743	534120947	/nfs/dbraw/zinc/12/09/47/534120947.db2.gz	INBYPVOKKIZZML-SECBINFHSA-N	0	1	224.264	0.376	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000374754014	534345258	/nfs/dbraw/zinc/34/52/58/534345258.db2.gz	MVOCATARLPPNGQ-CIUDSAMLSA-N	0	1	220.276	0.989	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC(N(C)C)C1	ZINC000336106355	534356253	/nfs/dbraw/zinc/35/62/53/534356253.db2.gz	OQWWNIQJERWFOE-VXGBXAGGSA-N	0	1	238.331	0.740	20	30		BCEDMN
C=C(Cl)CN1CCN2CCOC[C@@H]2C1	ZINC000371823419	534436982	/nfs/dbraw/zinc/43/69/82/534436982.db2.gz	QTYXGVMIAPSVAA-JTQLQIEISA-N	0	1	216.712	0.755	20	30		BCEDMN
C=C[C@@H](C)NC(=O)CN1CCN(CC)CC1	ZINC000362610459	534480986	/nfs/dbraw/zinc/48/09/86/534480986.db2.gz	GPULWDGTHVCXBX-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
C=C[C@@H](C)NS(=O)(=O)CCN(CC)CC	ZINC000352069689	534508731	/nfs/dbraw/zinc/50/87/31/534508731.db2.gz	YXLGHEDBVSMYAD-SNVBAGLBSA-N	0	1	234.365	0.822	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnc(N(C)C)s1	ZINC000289756255	534542681	/nfs/dbraw/zinc/54/26/81/534542681.db2.gz	HWZVSXPSRIRXBJ-QMMMGPOBSA-N	0	1	227.333	0.846	20	30		BCEDMN
C=C[C@H](C)NC(=O)NC[C@H]1CN(C)CCN1C	ZINC000362380327	534643462	/nfs/dbraw/zinc/64/34/62/534643462.db2.gz	PONMOHIQZQRZOZ-QWRGUYRKSA-N	0	1	240.351	0.106	20	30		BCEDMN
CC#CCN1CCC(n2cnc(C#N)n2)CC1	ZINC000373410853	534707920	/nfs/dbraw/zinc/70/79/20/534707920.db2.gz	DCHQECYTNORNSB-UHFFFAOYSA-N	0	1	229.287	0.810	20	30		BCEDMN
CC#CCN1CCC(N2CCN(C)CC2=O)CC1	ZINC000374754933	534708548	/nfs/dbraw/zinc/70/85/48/534708548.db2.gz	ZXIOXTVSKLANQU-UHFFFAOYSA-N	0	1	249.358	0.248	20	30		BCEDMN
C=CCCCN1CCn2c(n[nH]c2=O)C1	ZINC000354933799	534722973	/nfs/dbraw/zinc/72/29/73/534722973.db2.gz	YAGFGHUSZRSQSS-UHFFFAOYSA-N	0	1	208.265	0.766	20	30		BCEDMN
O=C(NO)c1cccc(-c2nnc[nH]2)c1	ZINC000782169149	582868008	/nfs/dbraw/zinc/86/80/08/582868008.db2.gz	GDYCUCZOHVNRBV-UHFFFAOYSA-N	0	1	204.189	0.591	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)NCc1nnc[nH]1	ZINC000358556128	534782448	/nfs/dbraw/zinc/78/24/48/534782448.db2.gz	FWUOCHSCNMSAPL-MRVPVSSYSA-N	0	1	224.264	0.402	20	30		BCEDMN
C=CCN(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000336342208	534817581	/nfs/dbraw/zinc/81/75/81/534817581.db2.gz	AOEJDKKWFGGDSC-SECBINFHSA-N	0	1	218.322	0.138	20	30		BCEDMN
C=CCNC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000170240765	534863278	/nfs/dbraw/zinc/86/32/78/534863278.db2.gz	KTBCAHWRIOXIDN-SSDOTTSWSA-N	0	1	206.249	0.212	20	30		BCEDMN
C=CCNC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000170240765	534863280	/nfs/dbraw/zinc/86/32/80/534863280.db2.gz	KTBCAHWRIOXIDN-SSDOTTSWSA-N	0	1	206.249	0.212	20	30		BCEDMN
C=CCOCCN(CCC)CC(N)=O	ZINC000339213045	534876955	/nfs/dbraw/zinc/87/69/55/534876955.db2.gz	OIPVWRBYQXOAGH-UHFFFAOYSA-N	0	1	200.282	0.386	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cc(C#N)ccn3)C[C@H]21	ZINC000408107385	536439495	/nfs/dbraw/zinc/43/94/95/536439495.db2.gz	OOSLYDRAILHTHI-VXGBXAGGSA-N	0	1	244.298	0.472	20	30		BCEDMN
C=CCOCCCC(=O)N(C)Cc1nnc[nH]1	ZINC000174170037	526730194	/nfs/dbraw/zinc/73/01/94/526730194.db2.gz	YAEXNYXKQQVSFK-UHFFFAOYSA-N	0	1	238.291	0.746	20	30		BCEDMN
C=CCOCCCN1CCN2C(=O)OC[C@H]2C1	ZINC000495512811	526757006	/nfs/dbraw/zinc/75/70/06/526757006.db2.gz	QSBMHCKYWWODMH-LLVKDONJSA-N	0	1	240.303	0.716	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@@H](C)OC)CC1	ZINC000490893193	526935379	/nfs/dbraw/zinc/93/53/79/526935379.db2.gz	RWUCMCOKRDITIL-LLVKDONJSA-N	0	1	239.315	0.910	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccccc1	ZINC000491415128	527376459	/nfs/dbraw/zinc/37/64/59/527376459.db2.gz	GPMUUKZCRPIZIR-NEPJUHHUSA-N	0	1	205.257	0.304	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)COc1ccccc1	ZINC000491453910	527376873	/nfs/dbraw/zinc/37/68/73/527376873.db2.gz	UKTSRKWHLIAQOL-NEPJUHHUSA-N	0	1	235.283	0.010	20	30		BCEDMN
C=CCn1cccc1C(=O)NCc1nnc[nH]1	ZINC000488837305	527387591	/nfs/dbraw/zinc/38/75/91/527387591.db2.gz	BVKOEBWLNLSZJL-UHFFFAOYSA-N	0	1	231.259	0.722	20	30		BCEDMN
CC(C)N(CC(=O)NCC#N)[C@H]1CCOC1	ZINC000361402609	535037892	/nfs/dbraw/zinc/03/78/92/535037892.db2.gz	JZNNITZCKWWVQX-JTQLQIEISA-N	0	1	225.292	0.125	20	30		BCEDMN
CC(C)N1CCN(c2ccc(C#N)nn2)CC1	ZINC000301841284	535203703	/nfs/dbraw/zinc/20/37/03/535203703.db2.gz	PNGLNANQCROSMS-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
CC(C)N1CCO[C@H](C(=O)N(C)CCC#N)C1	ZINC000377073625	535215021	/nfs/dbraw/zinc/21/50/21/535215021.db2.gz	OZIHELCTKUGUHE-NSHDSACASA-N	0	1	239.319	0.468	20	30		BCEDMN
CCC(N)=NOCc1ccc(C(N)=O)cc1	ZINC000298772136	535226946	/nfs/dbraw/zinc/22/69/46/535226946.db2.gz	GHOCKEPTIHPMGN-UHFFFAOYSA-N	0	1	221.260	0.984	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)N[C@@H](C)CC#N	ZINC000352256078	535565116	/nfs/dbraw/zinc/56/51/16/535565116.db2.gz	JAIXVWVPAIWAQE-JTQLQIEISA-N	0	1	247.364	0.550	20	30		BCEDMN
CCN(CCNS(=O)(=O)[C@H](C)C#N)C1CC1	ZINC000218105934	535740170	/nfs/dbraw/zinc/74/01/70/535740170.db2.gz	DVJJDWQDMMQIAB-SECBINFHSA-N	0	1	245.348	0.302	20	30		BCEDMN
CCc1cc(C(=O)N2CC(O)(CC#N)C2)n[nH]1	ZINC000331471388	536105408	/nfs/dbraw/zinc/10/54/08/536105408.db2.gz	GXAASVYXZPPKSE-UHFFFAOYSA-N	0	1	234.259	0.073	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CC[N@H+]3CC[C@H]2C3)[nH]1	ZINC000597708684	566457066	/nfs/dbraw/zinc/45/70/66/566457066.db2.gz	NXNAYDRGJVGWRS-JTQLQIEISA-N	0	1	230.271	0.416	20	30		BCEDMN
C#CCOCCSc1nc(N)cc(N)n1	ZINC000853012771	588715535	/nfs/dbraw/zinc/71/55/35/588715535.db2.gz	FNKXSXRKMNTCCI-UHFFFAOYSA-N	0	1	224.289	0.383	20	30		BCEDMN
C=CCOCC(=O)O[C@H](C)c1nnc[nH]1	ZINC000853220604	588726237	/nfs/dbraw/zinc/72/62/37/588726237.db2.gz	OKYQLMMAEWUENC-SSDOTTSWSA-N	0	1	211.221	0.612	20	30		BCEDMN
C[C@@H](OC(=O)c1ccc(C#N)n1C)c1nnc[nH]1	ZINC000853225674	588727190	/nfs/dbraw/zinc/72/71/90/588727190.db2.gz	QJCXRHRHTJBGOJ-SSDOTTSWSA-N	0	1	245.242	0.933	20	30		BCEDMN
COCCON=C(N)CN1CCCC[C@H]1C	ZINC000111179331	588727672	/nfs/dbraw/zinc/72/76/72/588727672.db2.gz	IMMQTTHCJCVXRE-SNVBAGLBSA-N	0	1	229.324	0.796	20	30		BCEDMN
CCCn1nccc1C=NNC1=NC[C@H](C)N1	ZINC000853330819	588733898	/nfs/dbraw/zinc/73/38/98/588733898.db2.gz	WEGXYDATIHINJM-VIFPVBQESA-N	0	1	234.307	0.564	20	30		BCEDMN
Cn1ncc(C2CCC2)c1C=NNC1=NCCN1	ZINC000853357986	588737829	/nfs/dbraw/zinc/73/78/29/588737829.db2.gz	QRCIXJKSZUPWBV-UHFFFAOYSA-N	0	1	246.318	0.570	20	30		BCEDMN
Cc1nnc(N=NC(C)c2cnc[nH]2)n1C	ZINC000853431277	588741839	/nfs/dbraw/zinc/74/18/39/588741839.db2.gz	UHSIXKUZWWPLDB-UHFFFAOYSA-N	0	1	219.252	0.683	20	30		BCEDMN
Cc1nnc(N=NC2C(=O)OC[C@@H]2C)n1C	ZINC000853431728	588741946	/nfs/dbraw/zinc/74/19/46/588741946.db2.gz	GOQVZXUKKMHZHB-YFKPBYRVSA-N	0	1	223.236	0.084	20	30		BCEDMN
Cc1nnc(N=NC2C[C@H](C)N(C)C2)n1C	ZINC000853432965	588741986	/nfs/dbraw/zinc/74/19/86/588741986.db2.gz	QLIXUWCRYDQOIY-ZETCQYMHSA-N	0	1	222.296	0.615	20	30		BCEDMN
Cc1nn(C)c(C)c1C=NNc1nnc(C)n1C	ZINC000853433960	588742394	/nfs/dbraw/zinc/74/23/94/588742394.db2.gz	YDKKYLJBOSEKSW-UHFFFAOYSA-N	0	1	247.306	0.920	20	30		BCEDMN
C#CCCCNC(=O)NCCCc1nc[nH]n1	ZINC000853798539	588763952	/nfs/dbraw/zinc/76/39/52/588763952.db2.gz	GQDNANIJIBZFCA-UHFFFAOYSA-N	0	1	235.291	0.450	20	30		BCEDMN
CN1CC(C(=O)N[C@@]2(C#N)CC2(C)C)=NC1=O	ZINC000854530767	588790857	/nfs/dbraw/zinc/79/08/57/588790857.db2.gz	AZJUKFWMGLEBNA-LLVKDONJSA-N	0	1	234.259	0.548	20	30		BCEDMN
CC#CCN(C)C(=O)C1=NC(=O)N(C)C1	ZINC000854670427	588800422	/nfs/dbraw/zinc/80/04/22/588800422.db2.gz	HISVAKUCEUOVFA-UHFFFAOYSA-N	0	1	207.233	0.221	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)[C@@H]1CCCN1C	ZINC000854697746	588802807	/nfs/dbraw/zinc/80/28/07/588802807.db2.gz	KKQUJMGMXAFRID-JQWIXIFHSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)CCCc1nn[nH]n1	ZINC000890549390	582471677	/nfs/dbraw/zinc/47/16/77/582471677.db2.gz	LXVVDYQQPSAHOK-VIFPVBQESA-N	0	1	235.291	0.699	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)COC	ZINC000855375407	588829833	/nfs/dbraw/zinc/82/98/33/588829833.db2.gz	LPDJAHHFQWRCHK-IVZWLZJFSA-N	0	1	242.275	0.701	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)CCc1c[nH]nn1	ZINC000890554968	582476786	/nfs/dbraw/zinc/47/67/86/582476786.db2.gz	ZWYZRTGKQUVLLU-JTQLQIEISA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)CCc1cnn[nH]1	ZINC000890554968	582476788	/nfs/dbraw/zinc/47/67/88/582476788.db2.gz	ZWYZRTGKQUVLLU-JTQLQIEISA-N	0	1	220.276	0.914	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000890655159	582494471	/nfs/dbraw/zinc/49/44/71/582494471.db2.gz	LWDYYQZYKPDHOJ-IVZWLZJFSA-N	0	1	222.244	0.666	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OC/C=C\Cl	ZINC000812409204	582527876	/nfs/dbraw/zinc/52/78/76/582527876.db2.gz	OKPKPVLHFYTRRS-OAQKJQOQSA-N	0	1	242.706	0.884	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]O[C@H](C)C=C	ZINC000846544890	582656493	/nfs/dbraw/zinc/65/64/93/582656493.db2.gz	KTUPMSDDYJVNBM-MNOVXSKESA-N	0	1	222.288	0.706	20	30		BCEDMN
C#Cc1ccc(C(=O)N(C)CC2CN(C)C2)nc1	ZINC000855638903	588842920	/nfs/dbraw/zinc/84/29/20/588842920.db2.gz	XKUWVSVJMMGFIW-UHFFFAOYSA-N	0	1	243.310	0.697	20	30		BCEDMN
CC#CCCNC(=O)NCc1cc(N)ccn1	ZINC000891813255	582725100	/nfs/dbraw/zinc/72/51/00/582725100.db2.gz	JGZGUOUHTKQQMW-UHFFFAOYSA-N	0	1	232.287	0.876	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc3c[nH]nc3c2)N1	ZINC000779791471	582730369	/nfs/dbraw/zinc/73/03/69/582730369.db2.gz	JNHDCAULAVGDQV-MRVPVSSYSA-N	0	1	242.286	0.834	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cnccn1	ZINC000779800602	582735180	/nfs/dbraw/zinc/73/51/80/582735180.db2.gz	OMLRPBHEWUUYMH-ZETCQYMHSA-N	0	1	218.264	0.138	20	30		BCEDMN
C#CCCN1CCN(c2cc(=O)[nH]cn2)CC1	ZINC000892314523	582838720	/nfs/dbraw/zinc/83/87/20/582838720.db2.gz	KVDQCOIITXQAHC-UHFFFAOYSA-N	0	1	232.287	0.328	20	30		BCEDMN
C=CCCO[N-]C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000856035556	588858051	/nfs/dbraw/zinc/85/80/51/588858051.db2.gz	CTTXJNHGWWDGQW-JTQLQIEISA-N	0	1	212.293	0.952	20	30		BCEDMN
C=CCCONC(=O)Cc1cc(C)[nH]n1	ZINC000856032619	588856885	/nfs/dbraw/zinc/85/68/85/588856885.db2.gz	OEDUXURQZACUHB-UHFFFAOYSA-N	0	1	209.249	0.885	20	30		BCEDMN
C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000892495762	582897896	/nfs/dbraw/zinc/89/78/96/582897896.db2.gz	FFDBBVBPPHSLNM-HGNGGELXSA-N	0	1	236.271	0.399	20	30		BCEDMN
C#CCSCC(=O)OCc1c[nH]nn1	ZINC000892995654	583026919	/nfs/dbraw/zinc/02/69/19/583026919.db2.gz	MIQMCULXOGUKJM-UHFFFAOYSA-N	0	1	211.246	0.214	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000854700716	583091449	/nfs/dbraw/zinc/09/14/49/583091449.db2.gz	XKCAJDBJXNDGCH-SNVBAGLBSA-N	0	1	236.231	0.850	20	30		BCEDMN
CC(C)C[C@@H](CO)N(C)CC(=O)NCCC#N	ZINC000775752532	583103174	/nfs/dbraw/zinc/10/31/74/583103174.db2.gz	AFFNCAXPOQFPSJ-NSHDSACASA-N	0	1	241.335	0.355	20	30		BCEDMN
CCc1nn(C)c(CC)c1C=NNC1=NCCN1	ZINC000841659643	583163054	/nfs/dbraw/zinc/16/30/54/583163054.db2.gz	BKIPXBISERXCEA-UHFFFAOYSA-N	0	1	248.334	0.428	20	30		BCEDMN
CCc1cccnc1C(C)=NNC1=NCCN1	ZINC000841661549	583166229	/nfs/dbraw/zinc/16/62/29/583166229.db2.gz	QVBVEWMYLBPGIP-UHFFFAOYSA-N	0	1	231.303	0.917	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)ccc1C#N	ZINC000841661481	583166241	/nfs/dbraw/zinc/16/62/41/583166241.db2.gz	POEAEGBBQFQWPA-UHFFFAOYSA-N	0	1	227.271	0.749	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)[C@@H](C)CC#N	ZINC000893871983	583237067	/nfs/dbraw/zinc/23/70/67/583237067.db2.gz	JMOFNTWPAMGZGG-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CC#N	ZINC000893871983	583237063	/nfs/dbraw/zinc/23/70/63/583237063.db2.gz	JMOFNTWPAMGZGG-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@@H]1CC(NC(=O)C(C)(C)c2cnc[nH]2)=NO1	ZINC000857165273	588891237	/nfs/dbraw/zinc/89/12/37/588891237.db2.gz	BDGXLVQAHZHMGW-SSDOTTSWSA-N	0	1	236.275	0.926	20	30		BCEDMN
C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)o3)[C@@H]2C1	ZINC000814145972	583342914	/nfs/dbraw/zinc/34/29/14/583342914.db2.gz	PMUJWTJGGWAMCY-MWLCHTKSSA-N	0	1	245.282	0.927	20	30		BCEDMN
C#CCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C	ZINC000877966455	583355213	/nfs/dbraw/zinc/35/52/13/583355213.db2.gz	LGOSZTJXMYHRFS-LDYMZIIASA-N	0	1	217.272	0.825	20	30		BCEDMN
C=C[C@H](O)C(=O)OCc1nnc(C(C)(C)C)[nH]1	ZINC000814547604	583358502	/nfs/dbraw/zinc/35/85/02/583358502.db2.gz	CKMINHQGYRLYKA-ZETCQYMHSA-N	0	1	239.275	0.692	20	30		BCEDMN
C=C[C@H](O)C(=O)OCc1n[nH]c(C(C)(C)C)n1	ZINC000814547604	583358505	/nfs/dbraw/zinc/35/85/05/583358505.db2.gz	CKMINHQGYRLYKA-ZETCQYMHSA-N	0	1	239.275	0.692	20	30		BCEDMN
C#CCCCC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000857294629	588904668	/nfs/dbraw/zinc/90/46/68/588904668.db2.gz	JGOLQDNCFAMAJL-UHFFFAOYSA-N	0	1	223.232	0.537	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@@H]1[C@@H](C(=O)OC)C1(F)F	ZINC000894573582	583486446	/nfs/dbraw/zinc/48/64/46/583486446.db2.gz	FBKSGQPEMXEMDR-YIZRAAEISA-N	0	1	231.242	0.994	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2COCO2)o1	ZINC000894871383	583539599	/nfs/dbraw/zinc/53/95/99/583539599.db2.gz	CUXSSQKDHKRYDU-SNVBAGLBSA-N	0	1	208.217	0.614	20	30		BCEDMN
C#CC[C@@H](NCc1cnc[nH]1)C(=O)OC	ZINC000894986493	583565180	/nfs/dbraw/zinc/56/51/80/583565180.db2.gz	PTANMTLJHNGYEU-SECBINFHSA-N	0	1	207.233	0.064	20	30		BCEDMN
O=c1cc(CN[C@H]2CCCN(O)C2=O)cc[nH]1	ZINC000895197647	583623669	/nfs/dbraw/zinc/62/36/69/583623669.db2.gz	UTJOIQSMVXPFJQ-VIFPVBQESA-N	0	1	237.259	0.257	20	30		BCEDMN
C#CCCCCCCN1C[C@H](O)C[C@H]1C(N)=O	ZINC000895371788	583661569	/nfs/dbraw/zinc/66/15/69/583661569.db2.gz	XUUYUJRBJDSSBT-NEPJUHHUSA-N	0	1	238.331	0.491	20	30		BCEDMN
C#Cc1cnc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc1	ZINC000895736281	583717866	/nfs/dbraw/zinc/71/78/66/583717866.db2.gz	IXDLKPJRXLWXKF-ONGXEEELSA-N	0	1	216.288	0.962	20	30		BCEDMN
C#CCN1CCC(Nc2nnc(C)o2)CC1	ZINC000895808816	583729797	/nfs/dbraw/zinc/72/97/97/583729797.db2.gz	SICKNBYFVHVITL-UHFFFAOYSA-N	0	1	220.276	0.888	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)c1cncc2nc[nH]c21	ZINC000895983752	583758809	/nfs/dbraw/zinc/75/88/09/583758809.db2.gz	YYWBSDHIOSBQNO-ZETCQYMHSA-N	0	1	229.243	0.990	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cn(CC)nn2)C1	ZINC000896042428	583767032	/nfs/dbraw/zinc/76/70/32/583767032.db2.gz	DFBUEWWRCSMZKD-GFCCVEGCSA-N	0	1	247.346	0.485	20	30		BCEDMN
C#CCSCC(=O)NCc1cc(C)[nH]n1	ZINC000896342951	583795064	/nfs/dbraw/zinc/79/50/64/583795064.db2.gz	PQRGDBUZNPOHJS-UHFFFAOYSA-N	0	1	223.301	0.701	20	30		BCEDMN
C#CCCCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000896701333	583823022	/nfs/dbraw/zinc/82/30/22/583823022.db2.gz	LQOPJACMRMERMC-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
C[C@H]1CCc2n[nH]c(C(=O)NCC#N)c2C1	ZINC000896995807	583867513	/nfs/dbraw/zinc/86/75/13/583867513.db2.gz	JYBBRFBWDBNCMK-ZETCQYMHSA-N	0	1	218.260	0.788	20	30		BCEDMN
C#CCSCC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000897083598	583877978	/nfs/dbraw/zinc/87/79/78/583877978.db2.gz	CGVAHSSBSCEMEL-VIFPVBQESA-N	0	1	249.339	0.750	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)cn1	ZINC000728962880	583939710	/nfs/dbraw/zinc/93/97/10/583939710.db2.gz	RCHGLPPBHRPLBS-ZDUSSCGKSA-N	0	1	243.310	0.887	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C)C2)cn1	ZINC000728962879	583939786	/nfs/dbraw/zinc/93/97/86/583939786.db2.gz	RCHGLPPBHRPLBS-CYBMUJFWSA-N	0	1	243.310	0.887	20	30		BCEDMN
CC#CC(=O)Nc1n[nH]c(C(=O)OCC)c1C	ZINC000888134544	583969097	/nfs/dbraw/zinc/96/90/97/583969097.db2.gz	SUIZOQZRQZDWSK-UHFFFAOYSA-N	0	1	235.243	0.857	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cc[nH]c(=O)c2)N1	ZINC000863105712	583975982	/nfs/dbraw/zinc/97/59/82/583975982.db2.gz	YJRKBCULPLXPNK-SSDOTTSWSA-N	0	1	219.248	0.058	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@@H](C)N2)sn1	ZINC000785462130	584008283	/nfs/dbraw/zinc/00/82/83/584008283.db2.gz	RQZGFCCWWWKPDT-SSDOTTSWSA-N	0	1	223.305	0.723	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897555680	584018187	/nfs/dbraw/zinc/01/81/87/584018187.db2.gz	VWQDNNHCDPFHIX-NWDGAFQWSA-N	0	1	236.315	0.235	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897581269	584022207	/nfs/dbraw/zinc/02/22/07/584022207.db2.gz	LQOCWLSSZQSCCR-PWSUYJOCSA-N	0	1	236.315	0.187	20	30		BCEDMN
CC1(C#N)CN(C(=O)C2CN([C@@H]3CCOC3)C2)C1	ZINC000897631382	584033275	/nfs/dbraw/zinc/03/32/75/584033275.db2.gz	WSWWBCIPTAXFPY-LLVKDONJSA-N	0	1	249.314	0.079	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897648652	584034527	/nfs/dbraw/zinc/03/45/27/584034527.db2.gz	CZVXEDQCGJWOCZ-MNOVXSKESA-N	0	1	240.347	0.912	20	30		BCEDMN
C[C@H]1CN(Cc2cccc(C#N)n2)C[C@H]1O	ZINC000897680567	584037807	/nfs/dbraw/zinc/03/78/07/584037807.db2.gz	SQTOGUVFVSSBQM-JOYOIKCWSA-N	0	1	217.272	0.766	20	30		BCEDMN
C[C@@H]1CN(Cc2cccc(C#N)n2)C[C@@H]1O	ZINC000897680568	584037978	/nfs/dbraw/zinc/03/79/78/584037978.db2.gz	SQTOGUVFVSSBQM-SKDRFNHKSA-N	0	1	217.272	0.766	20	30		BCEDMN
C[C@@]1(NCc2cccc(C#N)c2)CCNC1=O	ZINC000897874394	584056467	/nfs/dbraw/zinc/05/64/67/584056467.db2.gz	WFRQVNFQMKXQQJ-CYBMUJFWSA-N	0	1	229.283	0.926	20	30		BCEDMN
C#CCSCC(=O)NC(C)(C)c1c[nH]nn1	ZINC000898143743	584085840	/nfs/dbraw/zinc/08/58/40/584085840.db2.gz	FMNVNVQNOZHINB-UHFFFAOYSA-N	0	1	238.316	0.522	20	30		BCEDMN
CC[C@H](C#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898146149	584086761	/nfs/dbraw/zinc/08/67/61/584086761.db2.gz	ZXIRWGLPQQCLFH-SSDOTTSWSA-N	0	1	221.264	0.706	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CC(N2CCCC2)C1	ZINC000898601681	584145416	/nfs/dbraw/zinc/14/54/16/584145416.db2.gz	RDLCYARZSPCXEH-GFCCVEGCSA-N	0	1	224.304	0.230	20	30		BCEDMN
C#CC1(NC(=O)CCCc2nn[nH]n2)CCCC1	ZINC000899224270	584184311	/nfs/dbraw/zinc/18/43/11/584184311.db2.gz	PEOBFGNPCGBDLP-UHFFFAOYSA-N	0	1	247.302	0.585	20	30		BCEDMN
C[C@@H](C#N)CN1N=C(c2ccnn2C)CC1=O	ZINC000899347717	584198486	/nfs/dbraw/zinc/19/84/86/584198486.db2.gz	CAPZRHWBJHUNMC-QMMMGPOBSA-N	0	1	231.259	0.516	20	30		BCEDMN
C[C@@H](CC#N)N1N=C(c2ccnn2C)CC1=O	ZINC000899350239	584203019	/nfs/dbraw/zinc/20/30/19/584203019.db2.gz	XCMVAWRDNLHPNW-QMMMGPOBSA-N	0	1	231.259	0.659	20	30		BCEDMN
C#CCCc1cc(=O)n(CCS(C)(=O)=O)[nH]1	ZINC000899350589	584204196	/nfs/dbraw/zinc/20/41/96/584204196.db2.gz	ISATXRVVJVPQIH-UHFFFAOYSA-N	0	1	242.300	0.033	20	30		BCEDMN
C#CC[C@@H]1C(=O)N(c2ccnn2C)N=C1C	ZINC000899363619	584204769	/nfs/dbraw/zinc/20/47/69/584204769.db2.gz	FFPGAKVQHFXDJW-VIFPVBQESA-N	0	1	216.244	0.782	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2ccnn2C)c1=O	ZINC000899363619	584204770	/nfs/dbraw/zinc/20/47/70/584204770.db2.gz	FFPGAKVQHFXDJW-VIFPVBQESA-N	0	1	216.244	0.782	20	30		BCEDMN
C#CCCc1cc(=O)n(CC(C)(C)O)[nH]1	ZINC000899357589	584206287	/nfs/dbraw/zinc/20/62/87/584206287.db2.gz	KTNDICMSYPWEOG-UHFFFAOYSA-N	0	1	208.261	0.759	20	30		BCEDMN
CCn1cc(/C=C2\C(=O)c3ncnn3C2C)nn1	ZINC000899379612	584209330	/nfs/dbraw/zinc/20/93/30/584209330.db2.gz	BCXDTBSDTLACGS-YHESJLBYSA-N	0	1	244.258	0.730	20	30		BCEDMN
CCn1cc(/C=C2/C(=O)c3ncnn3C2C)nn1	ZINC000899379610	584209484	/nfs/dbraw/zinc/20/94/84/584209484.db2.gz	BCXDTBSDTLACGS-WDTYERQASA-N	0	1	244.258	0.730	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000900169065	584281875	/nfs/dbraw/zinc/28/18/75/584281875.db2.gz	QAAFPEROSUJWQE-AAEUAGOBSA-N	0	1	240.347	0.866	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C	ZINC000900325370	584295010	/nfs/dbraw/zinc/29/50/10/584295010.db2.gz	BYFPYYJXMIVXQE-PWSUYJOCSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000900325370	584295011	/nfs/dbraw/zinc/29/50/11/584295011.db2.gz	BYFPYYJXMIVXQE-PWSUYJOCSA-N	0	1	239.319	0.204	20	30		BCEDMN
C#CCCCCCCn1cc([C@@H](N)CO)nn1	ZINC000900641572	584331895	/nfs/dbraw/zinc/33/18/95/584331895.db2.gz	XZQOLRBISAMNIM-NSHDSACASA-N	0	1	236.319	0.854	20	30		BCEDMN
N#C[C@@H](NC(=O)c1cncc2nc[nH]c21)C1CC1	ZINC000900639521	584334672	/nfs/dbraw/zinc/33/46/72/584334672.db2.gz	YWQCKXKSNRIAJO-SECBINFHSA-N	0	1	241.254	0.990	20	30		BCEDMN
CC(=NN1CCOCC1)c1c[nH]c(N)n1	ZINC000901127489	584387446	/nfs/dbraw/zinc/38/74/46/584387446.db2.gz	YSKHLNDRXSFADD-UHFFFAOYSA-N	0	1	209.253	0.048	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc3c2OCC3)N1	ZINC000901215484	584401426	/nfs/dbraw/zinc/40/14/26/584401426.db2.gz	JSZHTUZHKIOAEN-SECBINFHSA-N	0	1	244.298	0.893	20	30		BCEDMN
CC(=NN[C@H]1CCOC1)c1c[nH]c(N)n1	ZINC000901231862	584404296	/nfs/dbraw/zinc/40/42/96/584404296.db2.gz	PYQKWLHKIWHSLY-ZETCQYMHSA-N	0	1	209.253	0.094	20	30		BCEDMN
CCc1nnc(C(=O)NC2=NO[C@@H](C)C2)s1	ZINC000901249813	584409803	/nfs/dbraw/zinc/40/98/03/584409803.db2.gz	KXGFGDLRIAAZFG-YFKPBYRVSA-N	0	1	240.288	0.953	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccc2c(c1)CCCO2	ZINC000901252678	584410108	/nfs/dbraw/zinc/41/01/08/584410108.db2.gz	LNMLGERDGVWINZ-UHFFFAOYSA-N	0	1	244.298	0.894	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccnn1C1CCC1	ZINC000901252909	584410171	/nfs/dbraw/zinc/41/01/71/584410171.db2.gz	RCMXIVNHDCKRQY-UHFFFAOYSA-N	0	1	232.291	0.491	20	30		BCEDMN
O[C@@H]1CCCC[C@H]1NN=C1C[N@H+]2C[C@@H]1CCC2	ZINC000901332865	584425963	/nfs/dbraw/zinc/42/59/63/584425963.db2.gz	RNAPYZBMNXFQSA-DMDPSCGWSA-N	0	1	237.347	0.961	20	30		BCEDMN
O[C@@H]1CCCC[C@H]1NN=C1CN2C[C@@H]1CCC2	ZINC000901332865	584425966	/nfs/dbraw/zinc/42/59/66/584425966.db2.gz	RNAPYZBMNXFQSA-DMDPSCGWSA-N	0	1	237.347	0.961	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000901348831	584431041	/nfs/dbraw/zinc/43/10/41/584431041.db2.gz	DRLJSCMDHPPRPS-ZYHUDNBSSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1	ZINC000902784065	584666394	/nfs/dbraw/zinc/66/63/94/584666394.db2.gz	MYESTBJKGLRQDP-MWLCHTKSSA-N	0	1	244.298	0.835	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2nccs2)CC1	ZINC000902944803	584696366	/nfs/dbraw/zinc/69/63/66/584696366.db2.gz	JPRSKWPHOUGBAO-UHFFFAOYSA-N	0	1	249.339	0.971	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2nccn2C)CC1	ZINC000902939949	584701262	/nfs/dbraw/zinc/70/12/62/584701262.db2.gz	LRCVHRDNVCSTTC-UHFFFAOYSA-N	0	1	246.314	0.248	20	30		BCEDMN
COC[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1	ZINC000902976156	584707694	/nfs/dbraw/zinc/70/76/94/584707694.db2.gz	NTTIWJNJGZOKFA-MWLCHTKSSA-N	0	1	235.287	0.611	20	30		BCEDMN
C=C(C)CN1CCC(NS(=O)(=O)CC)CC1	ZINC000903004868	584716780	/nfs/dbraw/zinc/71/67/80/584716780.db2.gz	OOYYRNFYIMPQHP-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
CCCS(=O)(=O)Nc1c[nH]nc1C#N	ZINC000903191101	584736072	/nfs/dbraw/zinc/73/60/72/584736072.db2.gz	NKZFSTTXQGDORW-UHFFFAOYSA-N	0	1	214.250	0.433	20	30		BCEDMN
CCCCN(O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000904214862	584856057	/nfs/dbraw/zinc/85/60/57/584856057.db2.gz	PUXYKDLKKNYBDV-RNFRBKRXSA-N	0	1	202.210	0.670	20	30		BCEDMN
COc1cc(CN[C@H]2CNOC2)ccc1C#N	ZINC000904424397	584880787	/nfs/dbraw/zinc/88/07/87/584880787.db2.gz	RSFOGBXWNSQZIN-NSHDSACASA-N	0	1	233.271	0.560	20	30		BCEDMN
CC(=NN(C)[C@@H](C)CO)c1ccc(N)nc1	ZINC000842539305	584900805	/nfs/dbraw/zinc/90/08/05/584900805.db2.gz	UPLNHQIOZNFXSZ-QMMMGPOBSA-N	0	1	222.292	0.700	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)[C@@H]1CCCCN1C	ZINC000754358027	584917703	/nfs/dbraw/zinc/91/77/03/584917703.db2.gz	SMQISTUEDOABFN-QWRGUYRKSA-N	0	1	208.305	0.999	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)Nc2c[nH]nn2)c1	ZINC000763191291	584920688	/nfs/dbraw/zinc/92/06/88/584920688.db2.gz	ABOTYFLOVQDUSF-UHFFFAOYSA-N	0	1	202.177	0.257	20	30		BCEDMN
C=CCN(CCNS(=O)(=O)CC)C(C)C	ZINC000731664693	584928236	/nfs/dbraw/zinc/92/82/36/584928236.db2.gz	XSOSFJXBMPXZOB-UHFFFAOYSA-N	0	1	234.365	0.822	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](c2ccco2)C1	ZINC000732206153	584934871	/nfs/dbraw/zinc/93/48/71/584934871.db2.gz	QVNKLSKRSUAXTG-LLVKDONJSA-N	0	1	232.283	0.818	20	30		BCEDMN
C=CCNC(=S)NCCN1CCSCC1	ZINC000732720244	584940163	/nfs/dbraw/zinc/94/01/63/584940163.db2.gz	GGIKKKQQMNNENT-UHFFFAOYSA-N	0	1	245.417	0.685	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCCC#N)CCS1	ZINC000755199756	584946772	/nfs/dbraw/zinc/94/67/72/584946772.db2.gz	OQLZQRLKIFFGAQ-SNVBAGLBSA-N	0	1	241.360	0.844	20	30		BCEDMN
C=CCCC(=O)N1CCOC[C@@H]1c1nn[nH]n1	ZINC000735408013	584976451	/nfs/dbraw/zinc/97/64/51/584976451.db2.gz	FARZTRLEQWIDOG-MRVPVSSYSA-N	0	1	237.263	0.066	20	30		BCEDMN
C=CC[N@H+](CCC(=O)N(C)CC(=O)[O-])C(C)C	ZINC000736108675	584989024	/nfs/dbraw/zinc/98/90/24/584989024.db2.gz	MSYWXZLZGKDOLT-UHFFFAOYSA-N	0	1	242.319	0.816	20	30		BCEDMN
C=C1CC[NH+]([C@H](C)C(=O)NCC(=O)[O-])CC1	ZINC000736098321	584989795	/nfs/dbraw/zinc/98/97/95/584989795.db2.gz	TYZKVXNXAKQSHT-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000820428690	585013552	/nfs/dbraw/zinc/01/35/52/585013552.db2.gz	REZHZFPLMKVDTI-VXGBXAGGSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1nc[nH]n1)[C@H]1CCCO1	ZINC000772892460	585018376	/nfs/dbraw/zinc/01/83/76/585018376.db2.gz	XFULCQYKJQVMPD-VHSXEESVSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1nc[nH]n1)[C@H]1CCCO1	ZINC000772892444	585018460	/nfs/dbraw/zinc/01/84/60/585018460.db2.gz	XFULCQYKJQVMPD-NXEZZACHSA-N	0	1	248.286	0.034	20	30		BCEDMN
C[C@]1(O)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1	ZINC000886033045	585036596	/nfs/dbraw/zinc/03/65/96/585036596.db2.gz	RAEHFEFHNOBTIP-NEPJUHHUSA-N	0	1	238.331	0.888	20	30		BCEDMN
C=CCONC(=O)N1CC[C@@H](N2CC=CC2)C1	ZINC000838707177	585065662	/nfs/dbraw/zinc/06/56/62/585065662.db2.gz	XVDPUGZJOBEIQM-LLVKDONJSA-N	0	1	237.303	0.760	20	30		BCEDMN
CS[C@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000103330369	585098259	/nfs/dbraw/zinc/09/82/59/585098259.db2.gz	LWFSWKBZXOWTSC-HTQZYQBOSA-N	0	1	228.317	0.971	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCOC1	ZINC000740535203	585102745	/nfs/dbraw/zinc/10/27/45/585102745.db2.gz	KWLRDUUKKOTFDA-UWVGGRQHSA-N	0	1	238.287	0.646	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)c1ncn[nH]1	ZINC000746207096	585165669	/nfs/dbraw/zinc/16/56/69/585165669.db2.gz	YKPIHAABOKIQDM-LURJTMIESA-N	0	1	207.237	0.473	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)c1nc[nH]n1	ZINC000746207096	585165670	/nfs/dbraw/zinc/16/56/70/585165670.db2.gz	YKPIHAABOKIQDM-LURJTMIESA-N	0	1	207.237	0.473	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2cnc[nH]2)nc1	ZINC000748322173	585190641	/nfs/dbraw/zinc/19/06/41/585190641.db2.gz	UWEKXSPWYSJJPS-UHFFFAOYSA-N	0	1	226.239	0.716	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)nc1	ZINC000748380158	585192051	/nfs/dbraw/zinc/19/20/51/585192051.db2.gz	XRDYOUMZYULERN-MRVPVSSYSA-N	0	1	241.254	0.672	20	30		BCEDMN
C[C@H](CO)NN=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000751132422	585224469	/nfs/dbraw/zinc/22/44/69/585224469.db2.gz	BSERCWLUOMGPQM-SSDOTTSWSA-N	0	1	239.231	0.605	20	30		BCEDMN
C#CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000753908169	585271951	/nfs/dbraw/zinc/27/19/51/585271951.db2.gz	XLGYMUSILGZXFN-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CC(=O)Nc1ccn(-c2ccncc2)n1	ZINC000754028902	585275849	/nfs/dbraw/zinc/27/58/49/585275849.db2.gz	CUXQXFYVCWHZDZ-UHFFFAOYSA-N	0	1	212.212	0.839	20	30		BCEDMN
Cn1cc(C(C)(C)NCC(=O)NCCC#N)cn1	ZINC000754873242	585292044	/nfs/dbraw/zinc/29/20/44/585292044.db2.gz	NKTIQOFKDYLGCK-UHFFFAOYSA-N	0	1	249.318	0.275	20	30		BCEDMN
C=CCNC(=S)NN=Cc1[nH]cnc1C	ZINC000755497648	585300822	/nfs/dbraw/zinc/30/08/22/585300822.db2.gz	NMKITDUJEIXLHC-UHFFFAOYSA-N	0	1	223.305	0.702	20	30		BCEDMN
Cc1cc(C)n2c(C=NNC(=N)N)cnc2n1	ZINC000755633829	585302757	/nfs/dbraw/zinc/30/27/57/585302757.db2.gz	OIJLEQVKSBRQIF-UHFFFAOYSA-N	0	1	231.263	0.163	20	30		BCEDMN
Cc1ncc(C=NNC(=N)N)n1-c1ccccc1	ZINC000755633839	585302882	/nfs/dbraw/zinc/30/28/82/585302882.db2.gz	OOPABCQQUFBEHW-UHFFFAOYSA-N	0	1	242.286	0.998	20	30		BCEDMN
Cc1cc(C(=O)N=C2C[C@@H](C)ON2)nc(C)n1	ZINC000755642685	585303093	/nfs/dbraw/zinc/30/30/93/585303093.db2.gz	GTQPPJLBOYRNIV-SSDOTTSWSA-N	0	1	234.259	0.946	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(CC)[C@@H](C)C1	ZINC000756024280	585313249	/nfs/dbraw/zinc/31/32/49/585313249.db2.gz	DKHCCNPQIBEKSA-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCOCCC(=O)OC[C@H]1CCCN1CC#C	ZINC000756541498	585320849	/nfs/dbraw/zinc/32/08/49/585320849.db2.gz	HXBYTWPPTBVJAR-CYBMUJFWSA-N	0	1	249.310	0.667	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@]2(CCOC2)C1	ZINC000756902926	585324927	/nfs/dbraw/zinc/32/49/27/585324927.db2.gz	FCEBSIQHBXQCAO-LBPRGKRZSA-N	0	1	237.303	0.129	20	30		BCEDMN
C#C[C@H](N[C@H](C)c1n[nH]c(C)n1)[C@@H]1CCCO1	ZINC000839564296	585330262	/nfs/dbraw/zinc/33/02/62/585330262.db2.gz	PTKHYKFMIBBRGV-MIMYLULJSA-N	0	1	234.303	0.945	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839699270	585335709	/nfs/dbraw/zinc/33/57/09/585335709.db2.gz	FNDHZHDXVCAPGR-BWZBUEFSSA-N	0	1	211.221	0.412	20	30		BCEDMN
N#C[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839718212	585338462	/nfs/dbraw/zinc/33/84/62/585338462.db2.gz	IJDKVGYMQMUCNI-XLPZGREQSA-N	0	1	241.272	0.119	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839722577	585338622	/nfs/dbraw/zinc/33/86/22/585338622.db2.gz	YUOLUKOXEOAORK-RNFRBKRXSA-N	0	1	211.221	0.318	20	30		BCEDMN
C#CCNC(=S)NCCN1CCSCC1	ZINC000758229947	585352433	/nfs/dbraw/zinc/35/24/33/585352433.db2.gz	KPIDROIAXHYENF-UHFFFAOYSA-N	0	1	243.401	0.133	20	30		BCEDMN
C#CCNC(=S)N1CCN(CC)[C@@H](C)C1	ZINC000758250838	585352808	/nfs/dbraw/zinc/35/28/08/585352808.db2.gz	GCERXDPEBKOCGI-JTQLQIEISA-N	0	1	225.361	0.520	20	30		BCEDMN
C#CCCNc1nc(NC)nc(NCCC#C)[nH+]1	ZINC000758453320	585356016	/nfs/dbraw/zinc/35/60/16/585356016.db2.gz	RHNCKXOUNSITQX-UHFFFAOYSA-N	0	1	244.302	0.784	20	30		BCEDMN
C#CCOCCN(C)Cc1cccc(C(N)=O)c1	ZINC000761108291	585409693	/nfs/dbraw/zinc/40/96/93/585409693.db2.gz	KDLUOCNKROODLR-UHFFFAOYSA-N	0	1	246.310	0.867	20	30		BCEDMN
C#CCOCCN(C)Cc1cnn(C)c1C	ZINC000761108277	585409925	/nfs/dbraw/zinc/40/99/25/585409925.db2.gz	JVSJZJWRVXTRBC-UHFFFAOYSA-N	0	1	221.304	0.810	20	30		BCEDMN
C=CCN1CC(=O)N(Cc2cc(C)[nH]n2)C1=O	ZINC000761280458	585413168	/nfs/dbraw/zinc/41/31/68/585413168.db2.gz	PZBXSHBSRURTBR-UHFFFAOYSA-N	0	1	234.259	0.668	20	30		BCEDMN
CN1CCC(=NNc2ncncc2Cl)C1=O	ZINC000761832147	585419425	/nfs/dbraw/zinc/41/94/25/585419425.db2.gz	VOIVBNBSBXFNEW-UHFFFAOYSA-N	0	1	239.666	0.760	20	30		BCEDMN
C#CCCCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000764409326	585465104	/nfs/dbraw/zinc/46/51/04/585465104.db2.gz	UOPXAJZMSCIVOI-LLVKDONJSA-N	0	1	240.372	0.953	20	30		BCEDMN
CC[C@H](C(=O)Nc1cnn(CC#N)c1)N(C)C	ZINC000765342531	585484123	/nfs/dbraw/zinc/48/41/23/585484123.db2.gz	HIEDIQMVFMMHLY-SNVBAGLBSA-N	0	1	235.291	0.685	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cnc3[nH]cnc3c2)=NO1	ZINC000765371987	585484350	/nfs/dbraw/zinc/48/43/50/585484350.db2.gz	ISUUYMNACNNHRO-LURJTMIESA-N	0	1	245.242	0.810	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2ccn(C)n2)NO1	ZINC000765372421	585484523	/nfs/dbraw/zinc/48/45/23/585484523.db2.gz	KTBYHSDIGPFUTL-LURJTMIESA-N	0	1	208.221	0.272	20	30		BCEDMN
C#CCCCN1CCN(C(=O)C2CC2)CC1	ZINC000766896933	585509856	/nfs/dbraw/zinc/50/98/56/585509856.db2.gz	VTOKQTRBMILCHO-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
CSC[C@H]1CCCN1CC(=O)NCCC#N	ZINC000767904512	585528236	/nfs/dbraw/zinc/52/82/36/585528236.db2.gz	ABSYSQODRMBQKI-SNVBAGLBSA-N	0	1	241.360	0.844	20	30		BCEDMN
Cc1nc(COC(=O)CSCC#N)n[nH]1	ZINC000770633589	585578513	/nfs/dbraw/zinc/57/85/13/585578513.db2.gz	GHXNOZPBICZHDV-UHFFFAOYSA-N	0	1	226.261	0.413	20	30		BCEDMN
C#C[C@H](NC(=O)c1[nH]nc(C)c1C)[C@H]1CCCO1	ZINC000772883428	585626309	/nfs/dbraw/zinc/62/63/09/585626309.db2.gz	SDHHNMNNZGBSOR-WDEREUQCSA-N	0	1	247.298	0.937	20	30		BCEDMN
CC(C)N1CC(=NN=c2cc[nH]n2C)[C@@H](C)C1	ZINC000774408161	585657661	/nfs/dbraw/zinc/65/76/61/585657661.db2.gz	AMTQVHFTVVGODG-JTQLQIEISA-N	0	1	235.335	0.970	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CN(C)[C@H]1CCSC1	ZINC000775384848	585677170	/nfs/dbraw/zinc/67/71/70/585677170.db2.gz	QLLLWDQMFNAOEM-ZJUUUORDSA-N	0	1	226.345	0.562	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NCC=C)[C@H]1CCCO1	ZINC000775801411	585685262	/nfs/dbraw/zinc/68/52/62/585685262.db2.gz	XSIXOPRMMWFJTP-SDDRHHMPSA-N	0	1	236.315	0.448	20	30		BCEDMN
C#CCCN1CCN(Cc2cnc(C)nc2)CC1	ZINC000776593376	585702506	/nfs/dbraw/zinc/70/25/06/585702506.db2.gz	USRWNQPLAFTQDH-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
CC(C)(O)CN(CC(=O)NCCC#N)C1CC1	ZINC000778217905	585727950	/nfs/dbraw/zinc/72/79/50/585727950.db2.gz	LQLWATLPUOSYSS-UHFFFAOYSA-N	0	1	239.319	0.252	20	30		BCEDMN
N#Cc1cc(C(=O)OCCc2c[nH]nn2)c[nH]1	ZINC000779217526	585747454	/nfs/dbraw/zinc/74/74/54/585747454.db2.gz	YDGSNSPQEYWCGS-UHFFFAOYSA-N	0	1	231.215	0.404	20	30		BCEDMN
N#Cc1cc(C(=O)OCCc2cnn[nH]2)c[nH]1	ZINC000779217526	585747455	/nfs/dbraw/zinc/74/74/55/585747455.db2.gz	YDGSNSPQEYWCGS-UHFFFAOYSA-N	0	1	231.215	0.404	20	30		BCEDMN
CC(C#N)C(=O)N1CCC[C@]12CCOC2=O	ZINC000779260180	585748682	/nfs/dbraw/zinc/74/86/82/585748682.db2.gz	VCTKSQMXFNHWDD-LDYMZIIASA-N	0	1	222.244	0.454	20	30		BCEDMN
CCn1nc(C)c(C=NNC2=NC[C@H](C)N2)c1C	ZINC000779785070	585763041	/nfs/dbraw/zinc/76/30/41/585763041.db2.gz	NKDOJQDWPSXYKI-QMMMGPOBSA-N	0	1	248.334	0.791	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc(O)c2)N1	ZINC000779791166	585763751	/nfs/dbraw/zinc/76/37/51/585763751.db2.gz	GAWLLHWWEFZMDF-MRVPVSSYSA-N	0	1	218.260	0.663	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)c(O)c2)N1	ZINC000779792369	585763776	/nfs/dbraw/zinc/76/37/76/585763776.db2.gz	MLGKBAJGHWLBTR-SSDOTTSWSA-N	0	1	234.259	0.369	20	30		BCEDMN
COc1ccc(O)c(C=NNC2=NC[C@@H](C)N2)c1	ZINC000779795531	585764316	/nfs/dbraw/zinc/76/43/16/585764316.db2.gz	VPTHCXGJIQTQRZ-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
Cc1n[nH]c(C)c1C=NNC1=NC[C@@H](C)N1	ZINC000779794178	585764460	/nfs/dbraw/zinc/76/44/60/585764460.db2.gz	DEGVCMJPTBXCCZ-ZCFIWIBFSA-N	0	1	220.280	0.298	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cncs2)N1	ZINC000779799507	585764631	/nfs/dbraw/zinc/76/46/31/585764631.db2.gz	UBKRCIBJWKKYOS-ZCFIWIBFSA-N	0	1	209.278	0.414	20	30		BCEDMN
Cc1ncccc1C=NNC1=NC[C@H](C)N1	ZINC000779801836	585764851	/nfs/dbraw/zinc/76/48/51/585764851.db2.gz	YVQHBVBDSNWCJI-QMMMGPOBSA-N	0	1	217.276	0.661	20	30		BCEDMN
C[C@@H]1C[N@@H+](C)CC1N=Nc1ccncc1	ZINC000779811751	585766412	/nfs/dbraw/zinc/76/64/12/585766412.db2.gz	TZABNQLUGJAFJV-SECBINFHSA-N	0	1	204.277	0.853	20	30		BCEDMN
C1C[C@H]2C(=NN[C@@H]3CCCOC3)CCN2C1	ZINC000780261086	585775691	/nfs/dbraw/zinc/77/56/91/585775691.db2.gz	KOBHTORFZQAHSX-PWSUYJOCSA-N	0	1	223.320	0.979	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)[C@H](C)N(C)C	ZINC000781348958	585795019	/nfs/dbraw/zinc/79/50/19/585795019.db2.gz	NYQZMZCALXAZML-JTQLQIEISA-N	0	1	242.319	0.514	20	30		BCEDMN
O=C(CCNC(=O)c1n[nH]c2ccccc21)NO	ZINC000782170123	585808673	/nfs/dbraw/zinc/80/86/73/585808673.db2.gz	XGPQZCKLFGMTOR-UHFFFAOYSA-N	0	1	248.242	0.188	20	30		BCEDMN
CC(C)[C@H](F)C(=O)[C@H](C#N)C(=O)NC1CC1	ZINC000784491566	585861210	/nfs/dbraw/zinc/86/12/10/585861210.db2.gz	VWWAFSBOYTUXKD-IUCAKERBSA-N	0	1	226.251	0.968	20	30		BCEDMN
C#CCOCCNC(=O)c1n[nH]c2ccccc21	ZINC000784769093	585865874	/nfs/dbraw/zinc/86/58/74/585865874.db2.gz	VNBINYBIFWRXPL-UHFFFAOYSA-N	0	1	243.266	0.943	20	30		BCEDMN
C#CCOCCNC(=O)c1[nH]nc2c1CCC2	ZINC000784767320	585865946	/nfs/dbraw/zinc/86/59/46/585865946.db2.gz	BNPLUTROYSXJKZ-UHFFFAOYSA-N	0	1	233.271	0.278	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)Cc1cc(C)[nH]n1	ZINC000785370502	585872883	/nfs/dbraw/zinc/87/28/83/585872883.db2.gz	FAXDDUOLEQODTH-SECBINFHSA-N	0	1	223.232	0.342	20	30		BCEDMN
C=CCCN(C)CN1C[C@@H](C(=O)OC)CC1=O	ZINC000786100570	585887207	/nfs/dbraw/zinc/88/72/07/585887207.db2.gz	BYRHXRRSNRKORK-JTQLQIEISA-N	0	1	240.303	0.473	20	30		BCEDMN
C=C[C@@](C)(CCOC)C(=O)NOCCO	ZINC000787292811	585905598	/nfs/dbraw/zinc/90/55/98/585905598.db2.gz	RFORDTLSLCQRBR-JTQLQIEISA-N	0	1	217.265	0.255	20	30		BCEDMN
CC#CC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000788309187	585921438	/nfs/dbraw/zinc/92/14/38/585921438.db2.gz	SJWFPLKYVZUIJQ-MRVPVSSYSA-N	0	1	205.261	0.789	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N1CCC[C@](C)(C#N)C1	ZINC000790018243	585956278	/nfs/dbraw/zinc/95/62/78/585956278.db2.gz	CFIHYEOFUDAJLC-LLVKDONJSA-N	0	1	233.275	0.879	20	30		BCEDMN
Cn1ccnc1NN=Cc1cncn1C	ZINC000790301794	585963104	/nfs/dbraw/zinc/96/31/04/585963104.db2.gz	IOMDEVQURWWORG-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
CO[C@]1(C)CCCN(CC(=O)NCCC#N)C1	ZINC000791562490	585984093	/nfs/dbraw/zinc/98/40/93/585984093.db2.gz	CWFKBAAVAMGKCV-GFCCVEGCSA-N	0	1	239.319	0.517	20	30		BCEDMN
CC[C@H](NN=C1C[N@@H+](C2CC2)C[C@@H]1C)C(=O)[O-]	ZINC000793055741	586009163	/nfs/dbraw/zinc/00/91/63/586009163.db2.gz	OOWUYWIPBGAMKW-WPRPVWTQSA-N	0	1	239.319	0.909	20	30		BCEDMN
CC[C@H](NN=C1C[N@H+](C2CC2)C[C@@H]1C)C(=O)[O-]	ZINC000793055741	586009164	/nfs/dbraw/zinc/00/91/64/586009164.db2.gz	OOWUYWIPBGAMKW-WPRPVWTQSA-N	0	1	239.319	0.909	20	30		BCEDMN
C[C@@H]1CCSCCN1CC(=O)NCCC#N	ZINC000794570043	586044109	/nfs/dbraw/zinc/04/41/09/586044109.db2.gz	DVFUMJUVMDTRGS-SNVBAGLBSA-N	0	1	241.360	0.844	20	30		BCEDMN
CC(=NNc1ncnc2nc[nH]c21)c1cn[nH]c1	ZINC000794857804	586051724	/nfs/dbraw/zinc/05/17/24/586051724.db2.gz	XICVKGHGCUAALQ-UHFFFAOYSA-N	0	1	242.246	0.912	20	30		BCEDMN
C[C@@H]1COC(=O)C1N=Nc1cccnn1	ZINC000794908486	586054151	/nfs/dbraw/zinc/05/41/51/586054151.db2.gz	KHVLXWPAELHDBA-ZCFIWIBFSA-N	0	1	206.205	0.437	20	30		BCEDMN
C=CCNC(=S)NCCN1CC=CCC1	ZINC000795015444	586065488	/nfs/dbraw/zinc/06/54/88/586065488.db2.gz	RLFBEHXALSLROQ-UHFFFAOYSA-N	0	1	225.361	0.898	20	30		BCEDMN
COCC#CCN1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC000799180605	586165648	/nfs/dbraw/zinc/16/56/48/586165648.db2.gz	BBOFAOXZLLWRQT-MNOVXSKESA-N	0	1	238.287	0.067	20	30		BCEDMN
CO[C@H]1CCN(CC(=O)NCCC#N)[C@H](C)C1	ZINC000799344304	586172474	/nfs/dbraw/zinc/17/24/74/586172474.db2.gz	UYZNSOXOHDNZJF-MNOVXSKESA-N	0	1	239.319	0.516	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cc(C)n(C)n1	ZINC000799884194	586200511	/nfs/dbraw/zinc/20/05/11/586200511.db2.gz	HHHNUNQIMDUECD-ZETCQYMHSA-N	0	1	234.307	0.390	20	30		BCEDMN
C=CC[C@H]1CCN(CCS(C)(=O)=O)C1	ZINC000859443992	589037221	/nfs/dbraw/zinc/03/72/21/589037221.db2.gz	ZINMDBRBXISYRO-JTQLQIEISA-N	0	1	217.334	0.929	20	30		BCEDMN
CSc1nc(=O)n(CCO[C@H](C)C#N)[nH]1	ZINC000801659245	586268379	/nfs/dbraw/zinc/26/83/79/586268379.db2.gz	XAJUYBWVWDQHKL-ZCFIWIBFSA-N	0	1	228.277	0.222	20	30		BCEDMN
C[C@@H](C#N)OCCN(C)[C@H]1CCCCNC1=O	ZINC000801917749	586276570	/nfs/dbraw/zinc/27/65/70/586276570.db2.gz	NRPBVEMUVQVARV-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
C=CCN1CCN(CN2CCCC2)C1=O	ZINC000839948089	586278190	/nfs/dbraw/zinc/27/81/90/586278190.db2.gz	FLJJVPLYUABYQZ-UHFFFAOYSA-N	0	1	209.293	0.963	20	30		BCEDMN
C[C@H](C#N)OCCN1CCc2n[nH]nc2C1	ZINC000801948173	586283014	/nfs/dbraw/zinc/28/30/14/586283014.db2.gz	RCHKKXCIJWZHPQ-MRVPVSSYSA-N	0	1	221.264	0.091	20	30		BCEDMN
N#CC(C(=O)CCn1ccnn1)c1ccccn1	ZINC000802040767	586286946	/nfs/dbraw/zinc/28/69/46/586286946.db2.gz	RFMFFCMRVQALDC-SNVBAGLBSA-N	0	1	241.254	0.940	20	30		BCEDMN
CN(C)c1ncc(C=[NH+][N-]c2ncn[nH]2)s1	ZINC000807997108	586456944	/nfs/dbraw/zinc/45/69/44/586456944.db2.gz	QSESBKATNMTFKM-UHFFFAOYSA-N	0	1	237.292	0.773	20	30		BCEDMN
CON=CC(=O)Nc1ccn(-c2ccncc2)n1	ZINC000809679666	586511958	/nfs/dbraw/zinc/51/19/58/586511958.db2.gz	FOILSTKKNZAVBQ-UHFFFAOYSA-N	0	1	245.242	0.838	20	30		BCEDMN
CON=CC(=O)N1CCC(c2cnc[nH]2)CC1	ZINC000809711420	586514404	/nfs/dbraw/zinc/51/44/04/586514404.db2.gz	WPWNDPNXVGMMAO-UHFFFAOYSA-N	0	1	236.275	0.748	20	30		BCEDMN
CON=CC(=O)Nc1cc(-c2nccn2C)n[nH]1	ZINC000809729728	586515191	/nfs/dbraw/zinc/51/51/91/586515191.db2.gz	XRZARZAFQGWPGZ-UHFFFAOYSA-N	0	1	248.246	0.381	20	30		BCEDMN
CCN1C[C@@H](C)N(C(=O)C=NOC)C[C@H]1C	ZINC000809740568	586516004	/nfs/dbraw/zinc/51/60/04/586516004.db2.gz	DQPDSLVFHBHVDK-NXEZZACHSA-N	0	1	227.308	0.560	20	30		BCEDMN
CC[C@@H](O)CNN=Cc1cnccc1N(C)C	ZINC000811652832	586563426	/nfs/dbraw/zinc/56/34/26/586563426.db2.gz	ZGBPJNVKHUBSIP-LLVKDONJSA-N	0	1	236.319	0.842	20	30		BCEDMN
C#CCOCCc1nc([C@@H]2CCCN2)no1	ZINC000842639574	586570211	/nfs/dbraw/zinc/57/02/11/586570211.db2.gz	RAQRCRFUDZCSFJ-VIFPVBQESA-N	0	1	221.260	0.686	20	30		BCEDMN
CON=CC(=O)Nc1nc(-c2ccncc2)n[nH]1	ZINC000814652394	586627659	/nfs/dbraw/zinc/62/76/59/586627659.db2.gz	ZKBMKFLBEYHRCD-UHFFFAOYSA-N	0	1	246.230	0.437	20	30		BCEDMN
Cc1nn(C)c(N)c1CN=Nc1cccnn1	ZINC000814854399	586639334	/nfs/dbraw/zinc/63/93/34/586639334.db2.gz	XPBRTFXKEIAWDM-UHFFFAOYSA-N	0	1	231.263	0.547	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1csnn1	ZINC000814899123	586645491	/nfs/dbraw/zinc/64/54/91/586645491.db2.gz	ZQLMXKZKFJFODU-YFKPBYRVSA-N	0	1	224.293	0.199	20	30		BCEDMN
O=C([O-])c1cc(C=NNc2cc[nH+]cc2)c[nH]1	ZINC000814899729	586646108	/nfs/dbraw/zinc/64/61/08/586646108.db2.gz	KMFCQMQNOGPCFD-UHFFFAOYSA-N	0	1	230.227	0.976	20	30		BCEDMN
NC(=O)CNN=C1CCCc2ccc(N)cc21	ZINC000814903802	586647048	/nfs/dbraw/zinc/64/70/48/586647048.db2.gz	BABFPEVHKSEVTP-UHFFFAOYSA-N	0	1	232.287	0.384	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1cnnn1C	ZINC000814979514	586662417	/nfs/dbraw/zinc/66/24/17/586662417.db2.gz	KLWYHGQKYLRWSH-ZETCQYMHSA-N	0	1	208.269	0.165	20	30		BCEDMN
CCN(CC(=O)NC)[C@@H]1CC[C@@H](C#N)C1	ZINC000815020916	586664678	/nfs/dbraw/zinc/66/46/78/586664678.db2.gz	HBPMISWGDMBEDX-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCc1ccc(C#CC(=O)Nc2nn[nH]n2)cc1	ZINC000815644906	586690122	/nfs/dbraw/zinc/69/01/22/586690122.db2.gz	PQXNOWCQXTYEGN-UHFFFAOYSA-N	0	1	241.254	0.752	20	30		BCEDMN
C#CCNC(=O)CCNCC(C)(C)C#N	ZINC000819219819	586939843	/nfs/dbraw/zinc/93/98/43/586939843.db2.gz	VFWXCGWLGUPVBV-UHFFFAOYSA-N	0	1	207.277	0.265	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccc(C#N)cn1	ZINC000819310965	586950197	/nfs/dbraw/zinc/95/01/97/586950197.db2.gz	FQSBQCRVUNNZFJ-UHFFFAOYSA-N	0	1	242.282	0.182	20	30		BCEDMN
CCOC[C@H](O)CNCc1ccc(C#N)cn1	ZINC000819310493	586950360	/nfs/dbraw/zinc/95/03/60/586950360.db2.gz	BEYPZYXAFWOTTM-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
CC(C)(C#N)CCCn1cnc(-c2nn[n-]n2)n1	ZINC000819891857	587000962	/nfs/dbraw/zinc/00/09/62/587000962.db2.gz	ISKBHQSTBNOYIA-UHFFFAOYSA-N	0	1	246.278	0.788	20	30		BCEDMN
CC(C)(C#N)CCCn1cnc(-c2nn[nH]n2)n1	ZINC000819891857	587000964	/nfs/dbraw/zinc/00/09/64/587000964.db2.gz	ISKBHQSTBNOYIA-UHFFFAOYSA-N	0	1	246.278	0.788	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C2CCC2)CC1	ZINC000820435305	587048887	/nfs/dbraw/zinc/04/88/87/587048887.db2.gz	HVJRQFBVZUELHT-LLVKDONJSA-N	0	1	235.331	0.888	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C(C)C)CC1	ZINC000820440670	587049501	/nfs/dbraw/zinc/04/95/01/587049501.db2.gz	MWIPRWUVORKLAR-NSHDSACASA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)N[C@H](C)c1nnc[nH]1	ZINC000820653921	587062527	/nfs/dbraw/zinc/06/25/27/587062527.db2.gz	CMLTZTFBYJZXPM-RKDXNWHRSA-N	0	1	235.291	0.967	20	30		BCEDMN
COC(OC)C(=O)Nc1cc(C#N)ccc1O	ZINC000821349970	587111338	/nfs/dbraw/zinc/11/13/38/587111338.db2.gz	XYOSXAIVGIECEN-UHFFFAOYSA-N	0	1	236.227	0.821	20	30		BCEDMN
C[C@@H]1CC(NC(=O)CN2CCCC2)=NO1	ZINC000821399563	587117386	/nfs/dbraw/zinc/11/73/86/587117386.db2.gz	MOQATNGGVSMJGT-MRVPVSSYSA-N	0	1	211.265	0.321	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822082362	587152051	/nfs/dbraw/zinc/15/20/51/587152051.db2.gz	LQHYTHMDRGKGIB-DJLDLDEBSA-N	0	1	203.245	0.651	20	30		BCEDMN
C#CCn1cc(CNC(=O)CN2CCCC2)cn1	ZINC000822495536	587171821	/nfs/dbraw/zinc/17/18/21/587171821.db2.gz	YGLSEFOTUYJZBY-UHFFFAOYSA-N	0	1	246.314	0.228	20	30		BCEDMN
C#C[C@H](NC(=O)CCCc1nn[nH]n1)C(C)C	ZINC000822667484	587180533	/nfs/dbraw/zinc/18/05/33/587180533.db2.gz	WRSXIVNMNCKLSS-VIFPVBQESA-N	0	1	235.291	0.296	20	30		BCEDMN
N#Cc1ccc(CNC(=O)CN2CCCC2)nc1	ZINC000822950170	587195216	/nfs/dbraw/zinc/19/52/16/587195216.db2.gz	ZFKLKXCHISBTBV-UHFFFAOYSA-N	0	1	244.298	0.665	20	30		BCEDMN
C#C[C@H](NC(=O)CCCc1nn[nH]n1)C(C)(C)C	ZINC000822959803	587195535	/nfs/dbraw/zinc/19/55/35/587195535.db2.gz	WEEJZDCYJQMPLN-VIFPVBQESA-N	0	1	249.318	0.687	20	30		BCEDMN
CN(C(=O)C1=NC(=O)N(C)C1)C1(C#N)CCC1	ZINC000823438244	587221854	/nfs/dbraw/zinc/22/18/54/587221854.db2.gz	DVLQXNDNUHFHJS-UHFFFAOYSA-N	0	1	234.259	0.644	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823451652	587223078	/nfs/dbraw/zinc/22/30/78/587223078.db2.gz	ZGQQVLDXGAVPQC-ZJUUUORDSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)[O-])C[C@H]1C	ZINC000823496152	587227050	/nfs/dbraw/zinc/22/70/50/587227050.db2.gz	DRQWZIPEXNTHIV-GHMZBOCLSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823496583	587227056	/nfs/dbraw/zinc/22/70/56/587227056.db2.gz	MDAFTIKHUXAIDC-NXEZZACHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)CN2CCCC2)C1	ZINC000824290408	587264840	/nfs/dbraw/zinc/26/48/40/587264840.db2.gz	LYOVARZYNPMRKN-LBPRGKRZSA-N	0	1	220.316	0.954	20	30		BCEDMN
C[C@H](C#N)N(C(=O)CN1CCCC1)C1CC1	ZINC000824459678	587271037	/nfs/dbraw/zinc/27/10/37/587271037.db2.gz	RZLJZLDSTWOFBY-SNVBAGLBSA-N	0	1	221.304	0.985	20	30		BCEDMN
C#CCO[N-]C(=O)Cn1cc[nH+]c1C(C)C	ZINC000824483611	587271391	/nfs/dbraw/zinc/27/13/91/587271391.db2.gz	FLYBKCKYDGDCJU-UHFFFAOYSA-N	0	1	221.260	0.688	20	30		BCEDMN
C#CCONC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000824484143	587271870	/nfs/dbraw/zinc/27/18/70/587271870.db2.gz	UXCATEVZUIESLP-HTQZYQBOSA-N	0	1	205.217	0.194	20	30		BCEDMN
CC[C@H](C)Cn1c(N)nc(-c2nn[nH]n2)c1C#N	ZINC000825067739	587302119	/nfs/dbraw/zinc/30/21/19/587302119.db2.gz	LLUDMWBCHCJBHW-LURJTMIESA-N	0	1	246.278	0.563	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000825664956	587330213	/nfs/dbraw/zinc/33/02/13/587330213.db2.gz	RGQHIVZTXBQVAR-VWYCJHECSA-N	0	1	227.304	0.966	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000825665097	587330416	/nfs/dbraw/zinc/33/04/16/587330416.db2.gz	UHARZZZGUSGJNP-MNOVXSKESA-N	0	1	243.303	0.489	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825664487	587330545	/nfs/dbraw/zinc/33/05/45/587330545.db2.gz	BLFPJFDXOZZUKI-KOLCDFICSA-N	0	1	231.267	0.812	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000825664955	587330597	/nfs/dbraw/zinc/33/05/97/587330597.db2.gz	RGQHIVZTXBQVAR-OUAUKWLOSA-N	0	1	227.304	0.966	20	30		BCEDMN
C=CC[N@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825675723	587330779	/nfs/dbraw/zinc/33/07/79/587330779.db2.gz	BDJSYHLZKKXHAJ-VIFPVBQESA-N	0	1	201.266	0.982	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825687194	587332203	/nfs/dbraw/zinc/33/22/03/587332203.db2.gz	DDDMBGLVPHUWLE-KWQFWETISA-N	0	1	244.266	0.176	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825687194	587332205	/nfs/dbraw/zinc/33/22/05/587332205.db2.gz	DDDMBGLVPHUWLE-KWQFWETISA-N	0	1	244.266	0.176	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)C1CC1	ZINC000826936910	587366143	/nfs/dbraw/zinc/36/61/43/587366143.db2.gz	GJUUEZOBGXCUSW-PSASIEDQSA-N	0	1	245.286	0.643	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C	ZINC000827384101	587379078	/nfs/dbraw/zinc/37/90/78/587379078.db2.gz	NPBFJZNZABRRHW-SDDRHHMPSA-N	0	1	238.331	0.576	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C	ZINC000827384097	587379198	/nfs/dbraw/zinc/37/91/98/587379198.db2.gz	NPBFJZNZABRRHW-GRYCIOLGSA-N	0	1	238.331	0.576	20	30		BCEDMN
C#CCCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000827687080	587396721	/nfs/dbraw/zinc/39/67/21/587396721.db2.gz	KKZGGFVYDZFHCL-QMMMGPOBSA-N	0	1	218.260	0.364	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000827971915	587414130	/nfs/dbraw/zinc/41/41/30/587414130.db2.gz	MAOLOQBBYJFWPQ-SIMOQEFBSA-N	0	1	246.354	0.960	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cc3ncccn3n2)NO1	ZINC000867063473	587507589	/nfs/dbraw/zinc/50/75/89/587507589.db2.gz	ZGWHIFQSDFCMEJ-SSDOTTSWSA-N	0	1	245.242	0.581	20	30		BCEDMN
C#CCCCCNC(=O)Cc1n[nH]c(C)n1	ZINC000830038612	587533190	/nfs/dbraw/zinc/53/31/90/587533190.db2.gz	HLSAMNAOTLTRLQ-UHFFFAOYSA-N	0	1	220.276	0.575	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](O)CCC)CC1	ZINC000830162344	587539802	/nfs/dbraw/zinc/53/98/02/587539802.db2.gz	IVXAADFZDYHWAR-LBPRGKRZSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830509481	587555103	/nfs/dbraw/zinc/55/51/03/587555103.db2.gz	KCWWVOMACMZYES-MNOVXSKESA-N	0	1	242.319	0.696	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCCSC	ZINC000830990425	587580556	/nfs/dbraw/zinc/58/05/56/587580556.db2.gz	IZBZIMHJLMRGSC-BDAKNGLRSA-N	0	1	231.317	0.988	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@H]2CCNC2=O)c1	ZINC000831271292	587594685	/nfs/dbraw/zinc/59/46/85/587594685.db2.gz	DOOVGWLVWKVZQB-QMMMGPOBSA-N	0	1	245.238	0.338	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2CCCc3n[nH]nc32)=NO1	ZINC000831399556	587603449	/nfs/dbraw/zinc/60/34/49/587603449.db2.gz	OESYARXAKNBZNP-RNFRBKRXSA-N	0	1	249.274	0.463	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](OC)C(C)(C)C1	ZINC000831539788	587617825	/nfs/dbraw/zinc/61/78/25/587617825.db2.gz	XANSLXWOFXHZDM-NSHDSACASA-N	0	1	238.331	0.483	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)C1=NC(=O)N(C)C1	ZINC000831690085	587627774	/nfs/dbraw/zinc/62/77/74/587627774.db2.gz	COGRDTXXESACIM-QMMMGPOBSA-N	0	1	239.275	0.040	20	30		BCEDMN
CC(C)C#CC(=O)N1CCN2CCC1CC2	ZINC000832815365	587691834	/nfs/dbraw/zinc/69/18/34/587691834.db2.gz	LRYXZRIBSWAOBK-UHFFFAOYSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833362138	587707189	/nfs/dbraw/zinc/70/71/89/587707189.db2.gz	APQBUOGSMHRSPP-ZJUUUORDSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833362397	587708231	/nfs/dbraw/zinc/70/82/31/587708231.db2.gz	POHAWQXUITTYEB-LLVKDONJSA-N	0	1	224.304	0.491	20	30		BCEDMN
C#CCC[N@H+]1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833362397	587708232	/nfs/dbraw/zinc/70/82/32/587708232.db2.gz	POHAWQXUITTYEB-LLVKDONJSA-N	0	1	224.304	0.491	20	30		BCEDMN
C#CCC[N@@H+]1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833362397	587708234	/nfs/dbraw/zinc/70/82/34/587708234.db2.gz	POHAWQXUITTYEB-LLVKDONJSA-N	0	1	224.304	0.491	20	30		BCEDMN
C#CCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833362239	587708383	/nfs/dbraw/zinc/70/83/83/587708383.db2.gz	HKHIDFNWUKTBGB-GHMZBOCLSA-N	0	1	225.288	0.964	20	30		BCEDMN
C#CCCN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833362398	587708436	/nfs/dbraw/zinc/70/84/36/587708436.db2.gz	POHAWQXUITTYEB-NSHDSACASA-N	0	1	224.304	0.491	20	30		BCEDMN
C#CCC[N@H+]1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833362398	587708438	/nfs/dbraw/zinc/70/84/38/587708438.db2.gz	POHAWQXUITTYEB-NSHDSACASA-N	0	1	224.304	0.491	20	30		BCEDMN
C#CCC[N@@H+]1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833362398	587708439	/nfs/dbraw/zinc/70/84/39/587708439.db2.gz	POHAWQXUITTYEB-NSHDSACASA-N	0	1	224.304	0.491	20	30		BCEDMN
C=C(C)C[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000833368395	587709537	/nfs/dbraw/zinc/70/95/37/587709537.db2.gz	GZACGPHUKUXMOE-UHFFFAOYSA-N	0	1	228.292	0.427	20	30		BCEDMN
C=C(C)C[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833369354	587709981	/nfs/dbraw/zinc/70/99/81/587709981.db2.gz	SJJGVRWRCIVKRD-UWVGGRQHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833369354	587709983	/nfs/dbraw/zinc/70/99/83/587709983.db2.gz	SJJGVRWRCIVKRD-UWVGGRQHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(Cl)C[NH+]1CCC(O)(C(=O)[O-])CC1	ZINC000833370758	587710023	/nfs/dbraw/zinc/71/00/23/587710023.db2.gz	RWTLABJBIIXKDC-UHFFFAOYSA-N	0	1	219.668	0.650	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833380510	587711297	/nfs/dbraw/zinc/71/12/97/587711297.db2.gz	IEDIBRGYCXHFKK-UWVGGRQHSA-N	0	1	211.261	0.574	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833380511	587711321	/nfs/dbraw/zinc/71/13/21/587711321.db2.gz	IEDIBRGYCXHFKK-VHSXEESVSA-N	0	1	211.261	0.574	20	30		BCEDMN
C=CC[N@@H+](CC(=O)NCCC(=O)[O-])C1CC1	ZINC000833375265	587711355	/nfs/dbraw/zinc/71/13/55/587711355.db2.gz	MSIFBPQCQKIPGL-UHFFFAOYSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CC[N@H+](CC(=O)NCCC(=O)[O-])C1CC1	ZINC000833375265	587711356	/nfs/dbraw/zinc/71/13/56/587711356.db2.gz	MSIFBPQCQKIPGL-UHFFFAOYSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCN(CCOC)C(=O)C1=NC(=O)N(C)C1	ZINC000834355641	587752997	/nfs/dbraw/zinc/75/29/97/587752997.db2.gz	GYDRKWSNNYKYBJ-UHFFFAOYSA-N	0	1	239.275	0.400	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C(F)(F)F	ZINC000834479578	587755560	/nfs/dbraw/zinc/75/55/60/587755560.db2.gz	GGCMCORXDUXTSZ-VQVTYTSYSA-N	0	1	235.209	0.413	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C[C@@H]1CCCCO1	ZINC000834479558	587756002	/nfs/dbraw/zinc/75/60/02/587756002.db2.gz	FWERCQSDWISOHE-VWYCJHECSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCOCC1CC1	ZINC000834480679	587756401	/nfs/dbraw/zinc/75/64/01/587756401.db2.gz	USFNJCDIYDAZRO-QWRGUYRKSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cncc(F)c1	ZINC000834480535	587756427	/nfs/dbraw/zinc/75/64/27/587756427.db2.gz	RSMUSJRKXAUTPI-PSASIEDQSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(N)c1	ZINC000834485131	587756542	/nfs/dbraw/zinc/75/65/42/587756542.db2.gz	SAFXOJOHLFKRFV-ONGXEEELSA-N	0	1	230.271	0.110	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)CCO1	ZINC000834485337	587756592	/nfs/dbraw/zinc/75/65/92/587756592.db2.gz	VJCICROCTXRBHY-GWOFURMSSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCc1cccnc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834485018	587756608	/nfs/dbraw/zinc/75/66/08/587756608.db2.gz	QXIIXJKFNQNCHG-QWRGUYRKSA-N	0	1	244.298	0.485	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)ccc1N	ZINC000834485121	587756634	/nfs/dbraw/zinc/75/66/34/587756634.db2.gz	RYDCECDVEJYNNH-JQWIXIFHSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(N)cc1	ZINC000834485093	587756701	/nfs/dbraw/zinc/75/67/01/587756701.db2.gz	RRYUKSOIMNOLNS-JQWIXIFHSA-N	0	1	244.298	0.039	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1N	ZINC000834485385	587756714	/nfs/dbraw/zinc/75/67/14/587756714.db2.gz	VXSUVCKPBUOAOP-JQWIXIFHSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccc(N)cc1	ZINC000834485092	587756780	/nfs/dbraw/zinc/75/67/80/587756780.db2.gz	RRYUKSOIMNOLNS-CMPLNLGQSA-N	0	1	244.298	0.039	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccccc1O	ZINC000834493376	587757078	/nfs/dbraw/zinc/75/70/78/587757078.db2.gz	DEJWDCIHVVIZQE-MNOVXSKESA-N	0	1	245.282	0.162	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1Cc2ccccc21	ZINC000834489689	587757132	/nfs/dbraw/zinc/75/71/32/587757132.db2.gz	OPOYKPSZWLIHKB-WXHSDQCUSA-N	0	1	241.294	0.554	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834495515	587757276	/nfs/dbraw/zinc/75/72/76/587757276.db2.gz	WKNDFMDFZQZQEH-GMTAPVOTSA-N	0	1	237.303	0.195	20	30		BCEDMN
CCCCO[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834495435	587757318	/nfs/dbraw/zinc/75/73/18/587757318.db2.gz	VOJTVWPQLAHOCZ-VWYCJHECSA-N	0	1	239.319	0.419	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834495517	587757394	/nfs/dbraw/zinc/75/73/94/587757394.db2.gz	WKNDFMDFZQZQEH-MXWKQRLJSA-N	0	1	237.303	0.195	20	30		BCEDMN
C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)O1	ZINC000834504408	587758006	/nfs/dbraw/zinc/75/80/06/587758006.db2.gz	AULNCEMGVKNEPD-VPJKUYQRSA-N	0	1	237.303	0.028	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CC1CCCC1	ZINC000834512187	587758147	/nfs/dbraw/zinc/75/81/47/587758147.db2.gz	SQMWFYVMJYOPDZ-QWRGUYRKSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccc(F)cc1	ZINC000834510333	587758167	/nfs/dbraw/zinc/75/81/67/587758167.db2.gz	AHSDYRRUXCOREO-CMPLNLGQSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)o1	ZINC000834512033	587758186	/nfs/dbraw/zinc/75/81/86/587758186.db2.gz	RDXBOBHOOYBPFM-GXSJLCMTSA-N	0	1	233.271	0.738	20	30		BCEDMN
Cc1ccoc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834510491	587758245	/nfs/dbraw/zinc/75/82/45/587758245.db2.gz	BPUYIOSUMSPXMC-BDAKNGLRSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccccc1F	ZINC000834507248	587758358	/nfs/dbraw/zinc/75/83/58/587758358.db2.gz	ZAXSMUIMTHZQPC-KWQFWETISA-N	0	1	233.246	0.667	20	30		BCEDMN
Cc1noc(C)c1CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834512616	587758446	/nfs/dbraw/zinc/75/84/46/587758446.db2.gz	ZHCIPBXCEAULGO-KOLCDFICSA-N	0	1	248.286	0.062	20	30		BCEDMN
CCCCSCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834517177	587758669	/nfs/dbraw/zinc/75/86/69/587758669.db2.gz	RMBYLBWDJNSIAR-NXEZZACHSA-N	0	1	241.360	0.747	20	30		BCEDMN
CCCCSCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834517179	587758693	/nfs/dbraw/zinc/75/86/93/587758693.db2.gz	RMBYLBWDJNSIAR-VHSXEESVSA-N	0	1	241.360	0.747	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C=C	ZINC000836359116	587831448	/nfs/dbraw/zinc/83/14/48/587831448.db2.gz	SXJYOXPTRKGPGH-LLVKDONJSA-N	0	1	223.320	0.815	20	30		BCEDMN
C=C(CO)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000837005985	587847256	/nfs/dbraw/zinc/84/72/56/587847256.db2.gz	YCGNATRQGSGBLK-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C#CC1CC1	ZINC000837464901	587874984	/nfs/dbraw/zinc/87/49/84/587874984.db2.gz	LSZCUUNCDVGJRR-GXFFZTMASA-N	0	1	232.327	0.999	20	30		BCEDMN
O=C(C#CC1CC1)NCCN1CC=CCC1	ZINC000837588824	587884163	/nfs/dbraw/zinc/88/41/63/587884163.db2.gz	OFBRCAQBMNEFIQ-UHFFFAOYSA-N	0	1	218.300	0.778	20	30		BCEDMN
Cc1cc(C=NNc2nccn2C)n(C)n1	ZINC000841637667	587964269	/nfs/dbraw/zinc/96/42/69/587964269.db2.gz	XXXXOAGNLGQGSA-UHFFFAOYSA-N	0	1	218.264	0.908	20	30		BCEDMN
Fc1cccc2c1OCCC2=NNC1=NCCN1	ZINC000841659185	587968726	/nfs/dbraw/zinc/96/87/26/587968726.db2.gz	MJNYSEAXOWTFGN-UHFFFAOYSA-N	0	1	248.261	0.861	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cccc(C#N)c1	ZINC000841658434	587968741	/nfs/dbraw/zinc/96/87/41/587968741.db2.gz	AKCOKWYSXJWDRI-UHFFFAOYSA-N	0	1	227.271	0.831	20	30		BCEDMN
COCc1ccc(C=NNC2=NCCN2)cc1	ZINC000841659196	587969407	/nfs/dbraw/zinc/96/94/07/587969407.db2.gz	MXCOWFANOBYFQP-UHFFFAOYSA-N	0	1	232.287	0.716	20	30		BCEDMN
CCOc1ccc(O)c(C=NNC2=NCCN2)c1	ZINC000841661778	587969966	/nfs/dbraw/zinc/96/99/66/587969966.db2.gz	OPFFAGWHOWXANO-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccccc1C#N	ZINC000841661387	587969968	/nfs/dbraw/zinc/96/99/68/587969968.db2.gz	XICNYUOVKGZFDF-UHFFFAOYSA-N	0	1	227.271	0.831	20	30		BCEDMN
Cc1sccc1C=NNC1=NCCN1	ZINC000841661040	587970466	/nfs/dbraw/zinc/97/04/66/587970466.db2.gz	VBWGTOAKWSGCBL-UHFFFAOYSA-N	0	1	208.290	0.939	20	30		BCEDMN
CCOc1ccccc1C=NNC1=NCCN1	ZINC000841663239	587970940	/nfs/dbraw/zinc/97/09/40/587970940.db2.gz	VYEHSBNQVWWFGB-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CNc1ccccc1	ZINC000841849808	587977659	/nfs/dbraw/zinc/97/76/59/587977659.db2.gz	LPMADVFHERPEDP-JQWIXIFHSA-N	0	1	244.298	0.326	20	30		BCEDMN
C#CCCCCNC(=O)N1CCN[C@@H](C)C1	ZINC000841860556	587978792	/nfs/dbraw/zinc/97/87/92/587978792.db2.gz	OZJDKUZDCPVZJN-NSHDSACASA-N	0	1	223.320	0.793	20	30		BCEDMN
C#CC1CCN(CN2CCCC2=O)CC1	ZINC000842634556	588047483	/nfs/dbraw/zinc/04/74/83/588047483.db2.gz	XYPLFOUQENYKEN-UHFFFAOYSA-N	0	1	206.289	0.912	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1(COC)CC1	ZINC000842688493	588053095	/nfs/dbraw/zinc/05/30/95/588053095.db2.gz	PDSMAWUTKPUJGA-MRVPVSSYSA-N	0	1	224.260	0.258	20	30		BCEDMN
OCC#CCNC[C@H](O)c1cccc(Cl)c1	ZINC000843080698	588078798	/nfs/dbraw/zinc/07/87/98/588078798.db2.gz	ZMYBYDRICHGDPG-LBPRGKRZSA-N	0	1	239.702	0.959	20	30		BCEDMN
Cc1ccccc1[C@H](O)CNCC#CCO	ZINC000843079947	588080127	/nfs/dbraw/zinc/08/01/27/588080127.db2.gz	OGZGPGXNKRMKOC-CYBMUJFWSA-N	0	1	219.284	0.614	20	30		BCEDMN
CCC/C(C)=C\C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843458883	588111696	/nfs/dbraw/zinc/11/16/96/588111696.db2.gz	AVPCVUMAEQEOAA-DESOLJLISA-N	0	1	221.304	0.961	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccccc1N	ZINC000843459007	588112048	/nfs/dbraw/zinc/11/20/48/588112048.db2.gz	BGOZNTIJOGLEFG-KCJUWKMLSA-N	0	1	230.271	0.110	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)s1	ZINC000843461028	588112643	/nfs/dbraw/zinc/11/26/43/588112643.db2.gz	JIRTVGSFZXCTEF-GXSJLCMTSA-N	0	1	249.339	0.827	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1cccs1	ZINC000843463375	588112895	/nfs/dbraw/zinc/11/28/95/588112895.db2.gz	WGQCBGZODBPIPH-WCBMZHEXSA-N	0	1	235.312	0.518	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)on1	ZINC000843463244	588112935	/nfs/dbraw/zinc/11/29/35/588112935.db2.gz	VYZFMVNUKAPOHG-SCZZXKLOSA-N	0	1	246.270	0.393	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1	ZINC000843998665	588154136	/nfs/dbraw/zinc/15/41/36/588154136.db2.gz	GTJUPFZMOXREMM-NSHDSACASA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CCN(CC)C[C@@H]1CN(C2CC2)C(=O)O1	ZINC000844299795	588182046	/nfs/dbraw/zinc/18/20/46/588182046.db2.gz	HFQAITPCKDVJHR-LLVKDONJSA-N	0	1	222.288	0.925	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@]2(CC2(F)F)C1	ZINC000844470840	588198193	/nfs/dbraw/zinc/19/81/93/588198193.db2.gz	LZNCZDGUKZTZMT-ONGXEEELSA-N	0	1	242.269	0.855	20	30		BCEDMN
C=C(C)CONC(=O)NCCN1CCC1	ZINC000845601547	588235250	/nfs/dbraw/zinc/23/52/50/588235250.db2.gz	QOLHJRYTWMBUBQ-UHFFFAOYSA-N	0	1	213.281	0.499	20	30		BCEDMN
C=C(C)CONC(=O)N1CCN2CCC1CC2	ZINC000845612235	588236020	/nfs/dbraw/zinc/23/60/20/588236020.db2.gz	UEBLFNGUNUKKOD-UHFFFAOYSA-N	0	1	239.319	0.984	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000845623654	588237505	/nfs/dbraw/zinc/23/75/05/588237505.db2.gz	JLJZZUZPKZUZLN-RQJHMYQMSA-N	0	1	225.252	0.671	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+](CC=C)CC(=O)[O-]	ZINC000846263851	588263588	/nfs/dbraw/zinc/26/35/88/588263588.db2.gz	ZJKRJNUIYDUMCB-JTQLQIEISA-N	0	1	213.277	0.886	20	30		BCEDMN
C#CCN(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000867426323	588267562	/nfs/dbraw/zinc/26/75/62/588267562.db2.gz	TVEUHHSXLZIUKF-UHFFFAOYSA-N	0	1	218.260	0.362	20	30		BCEDMN
C#CCN(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000867426323	588267563	/nfs/dbraw/zinc/26/75/63/588267563.db2.gz	TVEUHHSXLZIUKF-UHFFFAOYSA-N	0	1	218.260	0.362	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1cc(C)[nH]n1	ZINC000846546924	588274066	/nfs/dbraw/zinc/27/40/66/588274066.db2.gz	MFYFTAAFTRBYOA-QMMMGPOBSA-N	0	1	209.249	0.883	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC000846549578	588275100	/nfs/dbraw/zinc/27/51/00/588275100.db2.gz	ZERDTORCBHRATJ-VHSXEESVSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@H]1C[N@@H+](CC)CCO1	ZINC000846549578	588275101	/nfs/dbraw/zinc/27/51/01/588275101.db2.gz	ZERDTORCBHRATJ-VHSXEESVSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCc1cnc[nH]1	ZINC000846554463	588276763	/nfs/dbraw/zinc/27/67/63/588276763.db2.gz	JCCDWRRDFHEJEI-MRVPVSSYSA-N	0	1	209.249	0.965	20	30		BCEDMN
CC(C#N)C(=O)N[C@H]1C(=O)OCC1(C)C	ZINC000846656988	588281279	/nfs/dbraw/zinc/28/12/79/588281279.db2.gz	RMPWDEHUMYVYAR-RQJHMYQMSA-N	0	1	210.233	0.214	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000846677813	588282186	/nfs/dbraw/zinc/28/21/86/588282186.db2.gz	OTZISLBYTYLYAL-ZJUUUORDSA-N	0	1	232.287	0.298	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC=CCC1	ZINC000846677114	588282357	/nfs/dbraw/zinc/28/23/57/588282357.db2.gz	KOTXFKQRUNQZNR-GMTAPVOTSA-N	0	1	219.288	0.570	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@@H]1CN(CC)C(=O)O1	ZINC000846880085	588295243	/nfs/dbraw/zinc/29/52/43/588295243.db2.gz	SNQUEASAZRAHMN-VHSXEESVSA-N	0	1	210.277	0.781	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N2CCCC2)C1	ZINC000847021125	588302528	/nfs/dbraw/zinc/30/25/28/588302528.db2.gz	JIHKRMUMQWSWGG-GFCCVEGCSA-N	0	1	220.316	0.954	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N2CCN(C)CC2)C1	ZINC000847024078	588303471	/nfs/dbraw/zinc/30/34/71/588303471.db2.gz	PIDZKDKUAUXRJP-ZDUSSCGKSA-N	0	1	249.358	0.106	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N2CCC2)C1	ZINC000847026400	588304008	/nfs/dbraw/zinc/30/40/08/588304008.db2.gz	YNYVAHNWILAAOX-LLVKDONJSA-N	0	1	206.289	0.564	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000848035545	588348962	/nfs/dbraw/zinc/34/89/62/588348962.db2.gz	XVKWTPQLETWREP-PWSUYJOCSA-N	0	1	249.314	0.479	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000848246278	588366977	/nfs/dbraw/zinc/36/69/77/588366977.db2.gz	YDFGRCBGJYXGGG-VHSXEESVSA-N	0	1	212.293	0.951	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc(Cl)n2C)N1	ZINC000848408607	588378887	/nfs/dbraw/zinc/37/88/87/588378887.db2.gz	UBCYBAWBNIFTRP-LURJTMIESA-N	0	1	240.698	0.345	20	30		BCEDMN
Cc1nc[nH]c1C=NNCCCn1ccnc1	ZINC000848418324	588382223	/nfs/dbraw/zinc/38/22/23/588382223.db2.gz	LWPOYWQSKWEFIV-UHFFFAOYSA-N	0	1	232.291	0.928	20	30		BCEDMN
CCNC(NCc1n[nH]c(COC)n1)=[NH+]CC	ZINC000849215248	588461996	/nfs/dbraw/zinc/46/19/96/588461996.db2.gz	XHIFEIRJZGYBRA-UHFFFAOYSA-N	0	1	240.311	0.026	20	30		BCEDMN
CCNC(NCc1nnc(COC)[nH]1)=[NH+]CC	ZINC000849215248	588461998	/nfs/dbraw/zinc/46/19/98/588461998.db2.gz	XHIFEIRJZGYBRA-UHFFFAOYSA-N	0	1	240.311	0.026	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850761422	588565707	/nfs/dbraw/zinc/56/57/07/588565707.db2.gz	MGEPYLKPNUHURS-IMSYWVGJSA-N	0	1	236.271	0.112	20	30		BCEDMN
C#CCOCCN(CCC)CC(=O)NC	ZINC000851733401	588620033	/nfs/dbraw/zinc/62/00/33/588620033.db2.gz	UNDKCJSZFPDVDV-UHFFFAOYSA-N	0	1	212.293	0.094	20	30		BCEDMN
C#CCN(CC#CC)C[C@H](OC)[C@H]1CCOC1	ZINC000851784814	588628512	/nfs/dbraw/zinc/62/85/12/588628512.db2.gz	LKKOZKGGZKSAIO-KBPBESRZSA-N	0	1	235.327	0.996	20	30		BCEDMN
C#CCN(CC#CC)CCC(OC)OC	ZINC000851785991	588628838	/nfs/dbraw/zinc/62/88/38/588628838.db2.gz	UZGZIVATONWXSY-UHFFFAOYSA-N	0	1	209.289	0.954	20	30		BCEDMN
C#CCN(CC#C)[C@H](C)c1n[nH]c(CC)n1	ZINC000851793449	588629434	/nfs/dbraw/zinc/62/94/34/588629434.db2.gz	DKVJGFYAURSZNG-SNVBAGLBSA-N	0	1	216.288	0.997	20	30		BCEDMN
C#CCOCCN1CCCC2(C1)OCCO2	ZINC000851858945	588635964	/nfs/dbraw/zinc/63/59/64/588635964.db2.gz	IDZHFWFKUSSRBZ-UHFFFAOYSA-N	0	1	225.288	0.475	20	30		BCEDMN
C#CCOCCN[C@@H](CCO)c1ccco1	ZINC000851941934	588646168	/nfs/dbraw/zinc/64/61/68/588646168.db2.gz	FTIMSEYFDOLGNZ-NSHDSACASA-N	0	1	223.272	0.943	20	30		BCEDMN
C#CCCNC(=O)N(C)CC1CN(C)C1	ZINC000852106829	588664094	/nfs/dbraw/zinc/66/40/94/588664094.db2.gz	FFGLDJRNCDMVNE-UHFFFAOYSA-N	0	1	209.293	0.213	20	30		BCEDMN
C#CC[C@H]1CCCN([C@@H]2CON(CC)C2=O)C1	ZINC000852206496	588671626	/nfs/dbraw/zinc/67/16/26/588671626.db2.gz	KWIDNCLIPCYRDJ-NWDGAFQWSA-N	0	1	236.315	0.884	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21	ZINC000852219041	588673688	/nfs/dbraw/zinc/67/36/88/588673688.db2.gz	PJVAXLQJIWFBJU-WOPDTQHZSA-N	0	1	220.316	0.999	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N(C)CC1CN(C)C1	ZINC000852276851	588675496	/nfs/dbraw/zinc/67/54/96/588675496.db2.gz	DWZHXOYKOYEVAP-LLVKDONJSA-N	0	1	223.320	0.601	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CC1=CCCOC1	ZINC000852518847	588687700	/nfs/dbraw/zinc/68/77/00/588687700.db2.gz	QBIIWFMZTUAHPY-NSHDSACASA-N	0	1	236.315	0.403	20	30		BCEDMN
C#CCN1CCC(N2CCOC2=O)CC1	ZINC000852724406	588698028	/nfs/dbraw/zinc/69/80/28/588698028.db2.gz	XPWXEGDEOLYUFS-UHFFFAOYSA-N	0	1	208.261	0.536	20	30		BCEDMN
COc1cc(C(=O)N2CCNCC2)ccc1C#N	ZINC000852773340	588701795	/nfs/dbraw/zinc/70/17/95/588701795.db2.gz	WIOTXXQDYXFBQV-UHFFFAOYSA-N	0	1	245.282	0.612	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)s1	ZINC000852827057	588705924	/nfs/dbraw/zinc/70/59/24/588705924.db2.gz	AOKGZXSFKFQWDG-RQJHMYQMSA-N	0	1	239.275	0.729	20	30		BCEDMN
Cc1ccoc1CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852827313	588706277	/nfs/dbraw/zinc/70/62/77/588706277.db2.gz	GJRCKQJIKKWAKK-VHSXEESVSA-N	0	1	233.271	0.358	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(CF)cc1	ZINC000852827265	588706313	/nfs/dbraw/zinc/70/63/13/588706313.db2.gz	FIGNVXDZMJLCOR-RYUDHWBXSA-N	0	1	247.273	0.997	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852827287	588706433	/nfs/dbraw/zinc/70/64/33/588706433.db2.gz	FVYGBINUMIMLOB-KQSJRHEJSA-N	0	1	233.315	0.650	20	30		BCEDMN
CO[C@@H]1CC[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)C1	ZINC000852827763	588706447	/nfs/dbraw/zinc/70/64/47/588706447.db2.gz	PBYTWYRVEATBOT-LNFKQOIKSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCC/C=C/C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852876159	588709436	/nfs/dbraw/zinc/70/94/36/588709436.db2.gz	WNJNAWMGQVYGTK-OCIBVNFRSA-N	0	1	207.277	0.570	20	30		BCEDMN
CC(C)n1nccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852875812	588710087	/nfs/dbraw/zinc/71/00/87/588710087.db2.gz	QJAGGSWTEOMFCZ-UWVGGRQHSA-N	0	1	247.302	0.305	20	30		BCEDMN
C#CCNC(=O)c1cc(C(C)(C)N)no1	ZINC000852893085	588711800	/nfs/dbraw/zinc/71/18/00/588711800.db2.gz	DIIWTZDRTGINBC-UHFFFAOYSA-N	0	1	207.233	0.231	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)OCCN1CCC1	ZINC000861390167	589163620	/nfs/dbraw/zinc/16/36/20/589163620.db2.gz	ARNZDLAEXAHFRQ-MNOVXSKESA-N	0	1	225.288	0.826	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)c2cnc[nH]2)C1	ZINC000862566448	589223362	/nfs/dbraw/zinc/22/33/62/589223362.db2.gz	NRTTYLGEOHKNHL-SECBINFHSA-N	0	1	203.245	0.895	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc3n[nH]cc32)N1	ZINC000863105614	589256822	/nfs/dbraw/zinc/25/68/22/589256822.db2.gz	VYDLGCXMYNOFHV-MRVPVSSYSA-N	0	1	242.286	0.834	20	30		BCEDMN
C[C@@H]1C[N@H+](C2CC2)CC1N=NCC(C)(C)O	ZINC000863138079	589262247	/nfs/dbraw/zinc/26/22/47/589262247.db2.gz	YRRGSRPKJBERAG-SECBINFHSA-N	0	1	225.336	0.817	20	30		BCEDMN
C=C(C)CNC(=S)NCCN1CC[C@H](O)C1	ZINC000863253754	589274749	/nfs/dbraw/zinc/27/47/49/589274749.db2.gz	WISIYFADEPZKGT-JTQLQIEISA-N	0	1	243.376	0.093	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCN1CC[C@@H](O)C1	ZINC000863319956	589279256	/nfs/dbraw/zinc/27/92/56/589279256.db2.gz	XZABMAHRMIOCBM-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN1C	ZINC000863786526	589318005	/nfs/dbraw/zinc/31/80/05/589318005.db2.gz	CBOPKIJCXMAKEJ-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)c1[nH]nc2c1CCC2	ZINC000863796776	589318971	/nfs/dbraw/zinc/31/89/71/589318971.db2.gz	SZQLDEHWMXNBEG-VIFPVBQESA-N	0	1	247.298	0.667	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)C[N@H+](C)C1CCC1	ZINC000863926352	589326897	/nfs/dbraw/zinc/32/68/97/589326897.db2.gz	WRCCFJWXLXIFOP-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000865164456	589412377	/nfs/dbraw/zinc/41/23/77/589412377.db2.gz	FMKWRRSXVSGBNR-IONNQARKSA-N	0	1	222.248	0.204	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)[C@@H](C(C)C)C1	ZINC000865268158	589417394	/nfs/dbraw/zinc/41/73/94/589417394.db2.gz	AZBRIFIWMKJWIL-LLVKDONJSA-N	0	1	239.388	0.766	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1cn(CCC)nn1	ZINC000865519535	589443178	/nfs/dbraw/zinc/44/31/78/589443178.db2.gz	ALIBURRXJQLXMQ-LLVKDONJSA-N	0	1	238.335	0.962	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CCc1c[nH]nn1	ZINC000866110143	589476721	/nfs/dbraw/zinc/47/67/21/589476721.db2.gz	RRCGNDRVPIQZCC-UHFFFAOYSA-N	0	1	230.271	0.222	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CCc1cnn[nH]1	ZINC000866110143	589476722	/nfs/dbraw/zinc/47/67/22/589476722.db2.gz	RRCGNDRVPIQZCC-UHFFFAOYSA-N	0	1	230.271	0.222	20	30		BCEDMN
C#CCN(C(=O)CCc1nn[nH]n1)C1CCCC1	ZINC000866511813	589498476	/nfs/dbraw/zinc/49/84/76/589498476.db2.gz	UEGPHJMSGABFPN-UHFFFAOYSA-N	0	1	247.302	0.537	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1nnc[nH]1)C(C)(C)C	ZINC000868370128	589556197	/nfs/dbraw/zinc/55/61/97/589556197.db2.gz	DQCDPXPKVWXOMD-MRVPVSSYSA-N	0	1	220.276	0.511	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869186780	589592260	/nfs/dbraw/zinc/59/22/60/589592260.db2.gz	IUJUDBHEIRWRRS-SNVBAGLBSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869186780	589592261	/nfs/dbraw/zinc/59/22/61/589592261.db2.gz	IUJUDBHEIRWRRS-SNVBAGLBSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CCONC(=O)Cc1cn2c(C)csc2n1	ZINC000869253464	589594315	/nfs/dbraw/zinc/59/43/15/589594315.db2.gz	FSKYXCCUYCLJDA-UHFFFAOYSA-N	0	1	249.295	0.928	20	30		BCEDMN
C#CCONC(=O)c1n[nH]cc1C(F)(F)F	ZINC000869254688	589594662	/nfs/dbraw/zinc/59/46/62/589594662.db2.gz	WTMIMJCEOCORPT-UHFFFAOYSA-N	0	1	233.149	0.723	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869395362	589603255	/nfs/dbraw/zinc/60/32/55/589603255.db2.gz	WJLKDYGQRSPJIT-ONGXEEELSA-N	0	1	235.287	0.868	20	30		BCEDMN
N#CCc1ccsc1C(=O)N1CCNCC1	ZINC000870852689	589691702	/nfs/dbraw/zinc/69/17/02/589691702.db2.gz	KUJBOGYDXQYRAL-UHFFFAOYSA-N	0	1	235.312	0.860	20	30		BCEDMN
Cc1cnc(F)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000870941631	589699494	/nfs/dbraw/zinc/69/94/94/589699494.db2.gz	XEZWTAAHHVVUJU-WCBMZHEXSA-N	0	1	248.261	0.371	20	30		BCEDMN
Cc1cc(F)ncc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000870940881	589699501	/nfs/dbraw/zinc/69/95/01/589699501.db2.gz	NOILUOYZWVZBPI-PSASIEDQSA-N	0	1	248.261	0.371	20	30		BCEDMN
N#Cc1nccn1CCCNC(=O)C(F)(F)F	ZINC000123959723	589873312	/nfs/dbraw/zinc/87/33/12/589873312.db2.gz	WUJGJDUUFUFWQG-UHFFFAOYSA-N	0	1	246.192	0.823	20	30		BCEDMN
COc1ccnc(N=NC2CCN(C)[C@H]2C)n1	ZINC000872342085	589915124	/nfs/dbraw/zinc/91/51/24/589915124.db2.gz	HWMSCYKPUMVDMW-QMMMGPOBSA-N	0	1	235.291	0.977	20	30		BCEDMN
C[C@@H]1C(N=Nc2ccc(C(N)=O)nn2)CCN1C	ZINC000872356229	589917305	/nfs/dbraw/zinc/91/73/05/589917305.db2.gz	FYVUNFDIOBYCFT-SSDOTTSWSA-N	0	1	248.290	0.067	20	30		BCEDMN
CCNc1ccccc1C=NOCC(N)=O	ZINC000872362407	589920033	/nfs/dbraw/zinc/92/00/33/589920033.db2.gz	PWVWQALFJNVGMN-UHFFFAOYSA-N	0	1	221.260	0.954	20	30		BCEDMN
COc1cncc(C=NNC2=NC[C@H](C)N2)c1C	ZINC000872364546	589920879	/nfs/dbraw/zinc/92/08/79/589920879.db2.gz	NJSCQVGMWJRDMS-QMMMGPOBSA-N	0	1	247.302	0.670	20	30		BCEDMN
Cc1ccnc(N)c1C=NN[C@@H]1CCOC1	ZINC000872370726	589923138	/nfs/dbraw/zinc/92/31/38/589923138.db2.gz	CYPVISKIXGMRDQ-SECBINFHSA-N	0	1	220.276	0.685	20	30		BCEDMN
Cc1ccnc(N)c1C=NN(C)[C@@H](C)CO	ZINC000872384006	589928822	/nfs/dbraw/zinc/92/88/22/589928822.db2.gz	AMGBPKBANXQXFO-VIFPVBQESA-N	0	1	222.292	0.619	20	30		BCEDMN
COc1cncc(C=NNC2=NCCN2)c1C	ZINC000872385690	589929224	/nfs/dbraw/zinc/92/92/24/589929224.db2.gz	MEVLWWFMKGLNQW-UHFFFAOYSA-N	0	1	233.275	0.281	20	30		BCEDMN
Cc1cc(N=NC2C[C@H](C)N(C)C2)nc(N)n1	ZINC000872420949	589937733	/nfs/dbraw/zinc/93/77/33/589937733.db2.gz	SDWHNIMREZVEOV-QMMMGPOBSA-N	0	1	234.307	0.859	20	30		BCEDMN
CCCN(C(=O)C(C)C#N)[C@H](C)C(=O)OC	ZINC000888618077	589996887	/nfs/dbraw/zinc/99/68/87/589996887.db2.gz	RMYWURDRNZKYBN-DTWKUNHWSA-N	0	1	226.276	0.946	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)NCCN1CCC1	ZINC000875925147	590177880	/nfs/dbraw/zinc/17/78/80/590177880.db2.gz	MRWHFKBDAWUMNG-LLVKDONJSA-N	0	1	239.319	0.030	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)C#CC(C)(C)C	ZINC000876515594	590206579	/nfs/dbraw/zinc/20/65/79/590206579.db2.gz	VMXAZPFPDLMKII-SNVBAGLBSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCN(CC#CC)C[C@@]1(OC)CCOC1	ZINC000876751146	590238221	/nfs/dbraw/zinc/23/82/21/590238221.db2.gz	YIGWAQJXESOJHQ-ZDUSSCGKSA-N	0	1	221.300	0.750	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CCC=CCC1	ZINC000876801304	590243098	/nfs/dbraw/zinc/24/30/98/590243098.db2.gz	AUIBVLQOEJZZDJ-NEPJUHHUSA-N	0	1	233.315	0.961	20	30		BCEDMN
CCO[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C(C)C	ZINC000876801341	590243137	/nfs/dbraw/zinc/24/31/37/590243137.db2.gz	BKQPRGVRIZGHEN-DCAQKATOSA-N	0	1	239.319	0.275	20	30		BCEDMN
CC1=C(C(=O)N[C@@H]2CNC[C@H]2C#N)CCCO1	ZINC000876803395	590243613	/nfs/dbraw/zinc/24/36/13/590243613.db2.gz	WEPKCWCHTUAJRT-MWLCHTKSSA-N	0	1	235.287	0.299	20	30		BCEDMN
CC/C=C(/F)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876802537	590243681	/nfs/dbraw/zinc/24/36/81/590243681.db2.gz	QBTPXIGPKRMFGV-SEGKZLOCSA-N	0	1	211.240	0.478	20	30		BCEDMN
CCCc1nc(C(=O)N[C@@H]2CNC[C@@H]2C#N)co1	ZINC000876803176	590243708	/nfs/dbraw/zinc/24/37/08/590243708.db2.gz	UWGCPWJPXQYTEM-DTWKUNHWSA-N	0	1	248.286	0.468	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1(C(F)F)CCC1	ZINC000876802500	590243726	/nfs/dbraw/zinc/24/37/26/590243726.db2.gz	PLYDULLYGABINQ-SFYZADRCSA-N	0	1	243.257	0.650	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@]12C[C@@H]1CCCC2	ZINC000876803904	590244062	/nfs/dbraw/zinc/24/40/62/590244062.db2.gz	YYTWPEDEHAJLJM-BLFANLJRSA-N	0	1	233.315	0.794	20	30		BCEDMN
C#CCNC(=O)CCNCc1cc(C2CC2)no1	ZINC000876989295	590265965	/nfs/dbraw/zinc/26/59/65/590265965.db2.gz	RQEYZBFLVKRKOK-UHFFFAOYSA-N	0	1	247.298	0.781	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1ncnn1C	ZINC000877661209	590387274	/nfs/dbraw/zinc/38/72/74/590387274.db2.gz	XTCICMORIKGALN-SNVBAGLBSA-N	0	1	222.292	0.333	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](O)[C@@H](O)C2)c1	ZINC000877749351	590413402	/nfs/dbraw/zinc/41/34/02/590413402.db2.gz	SQPJPPFTUIXZHF-OLZOCXBDSA-N	0	1	232.283	0.486	20	30		BCEDMN
C#CCN(C)CCn1c(C)ncc1[N+](=O)[O-]	ZINC000877887619	590439703	/nfs/dbraw/zinc/43/97/03/590439703.db2.gz	PKDXDQFOQKLHQZ-UHFFFAOYSA-N	0	1	222.248	0.665	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC[C@H](CO)C1	ZINC000877934575	590451102	/nfs/dbraw/zinc/45/11/02/590451102.db2.gz	CRQPICAZKVGJQX-QWRGUYRKSA-N	0	1	227.304	0.808	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCC[C@@H](CO)C1	ZINC000877934571	590451223	/nfs/dbraw/zinc/45/12/23/590451223.db2.gz	CRQPICAZKVGJQX-GHMZBOCLSA-N	0	1	227.304	0.808	20	30		BCEDMN
C#CCCCCCN1CCO[C@@H](C(N)=O)C1	ZINC000878018544	590472889	/nfs/dbraw/zinc/47/28/89/590472889.db2.gz	QFLPXQFJPRWHFO-LLVKDONJSA-N	0	1	224.304	0.366	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)CC(C)(C)O	ZINC000878108662	590496283	/nfs/dbraw/zinc/49/62/83/590496283.db2.gz	LZQGNAARCLDCDI-SECBINFHSA-N	0	1	215.293	0.807	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](O)CC1(CO)CCCC1	ZINC000878153919	590508049	/nfs/dbraw/zinc/50/80/49/590508049.db2.gz	YXFKCBQBYYLLIO-AWEZNQCLSA-N	0	1	249.354	0.859	20	30		BCEDMN
C=CC[C@H](C)N1CCN(C(=O)NC)CC1	ZINC000878261488	590530261	/nfs/dbraw/zinc/53/02/61/590530261.db2.gz	AQZCDQHTTNVLDW-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CC[C@H](C)N1CCN(C(=O)CO)CC1	ZINC000878305239	590539136	/nfs/dbraw/zinc/53/91/36/590539136.db2.gz	VAFCFSGKVAJFCD-JTQLQIEISA-N	0	1	212.293	0.088	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCN(C)[C@H](C)C1	ZINC000878317826	590544372	/nfs/dbraw/zinc/54/43/72/590544372.db2.gz	WLCPCWJXVOZRJI-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCN(C)[C@@H](C)C1	ZINC000878317951	590544394	/nfs/dbraw/zinc/54/43/94/590544394.db2.gz	WLCPCWJXVOZRJI-WDEREUQCSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@H](C(=O)NC)C1	ZINC000878397574	590559499	/nfs/dbraw/zinc/55/94/99/590559499.db2.gz	WRURSYGWNXJNMS-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@H](CC(N)=O)C1	ZINC000878622051	590597023	/nfs/dbraw/zinc/59/70/23/590597023.db2.gz	RGNYWHDEEMJKAK-ZJUUUORDSA-N	0	1	240.303	0.301	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H]2[C@H](CO)[C@H]2C1	ZINC000878642247	590600084	/nfs/dbraw/zinc/60/00/84/590600084.db2.gz	YKJWNLZFSYKQJC-VPOLOUISSA-N	0	1	225.288	0.274	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@H](C(=O)NC)C1	ZINC000878721157	590615802	/nfs/dbraw/zinc/61/58/02/590615802.db2.gz	UHHZGQIWXOGKRL-UWVGGRQHSA-N	0	1	240.303	0.172	20	30		BCEDMN
C#CCN(C[C@H](O)C1CC1)C1CSC1	ZINC000878910540	590643177	/nfs/dbraw/zinc/64/31/77/590643177.db2.gz	PHJBOLQXRJFJFK-NSHDSACASA-N	0	1	211.330	0.808	20	30		BCEDMN
C#CCCCCCN1CCO[C@@H](CC(N)=O)C1	ZINC000879060297	590688199	/nfs/dbraw/zinc/68/81/99/590688199.db2.gz	BWPFUOCQGFADLJ-LBPRGKRZSA-N	0	1	238.331	0.756	20	30		BCEDMN
C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#N	ZINC000879173295	590707307	/nfs/dbraw/zinc/70/73/07/590707307.db2.gz	ISDDRTJIPSCQKI-XVKPBYJWSA-N	0	1	218.260	0.715	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C)(F)CC1	ZINC000879381145	590758147	/nfs/dbraw/zinc/75/81/47/590758147.db2.gz	QBKTVFDOJHXYAH-UHFFFAOYSA-N	0	1	212.268	0.560	20	30		BCEDMN
C=CCN1CC[C@]2(CC(C(=O)OC)=NO2)C1	ZINC000879479178	590777618	/nfs/dbraw/zinc/77/76/18/590777618.db2.gz	GDYMFMVBVIWUMG-NSHDSACASA-N	0	1	224.260	0.566	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1C[C@@H](O)CC(C)(C)C1	ZINC000879616700	590832483	/nfs/dbraw/zinc/83/24/83/590832483.db2.gz	ISWOAMHIDZEAHE-MNOVXSKESA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@@H](O)CC(C)(C)C1	ZINC000879616701	590832638	/nfs/dbraw/zinc/83/26/38/590832638.db2.gz	ISWOAMHIDZEAHE-QWRGUYRKSA-N	0	1	238.331	0.217	20	30		BCEDMN
N#CCCNC(=O)CN[C@@H]1CCCn2nccc21	ZINC000879786015	590869305	/nfs/dbraw/zinc/86/93/05/590869305.db2.gz	LTVMXKBKKCRIJX-SNVBAGLBSA-N	0	1	247.302	0.337	20	30		BCEDMN
C#CCCCN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1	ZINC000879940474	590891918	/nfs/dbraw/zinc/89/19/18/590891918.db2.gz	OFFZAGSQPYRIGZ-VXGBXAGGSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#CCC1(O)CCN(CC(=O)NC2CC2)CC1	ZINC000880477294	591054879	/nfs/dbraw/zinc/05/48/79/591054879.db2.gz	FCNXNPCMFPTGCO-UHFFFAOYSA-N	0	1	236.315	0.115	20	30		BCEDMN
CC(C)C(N)=NOCCC1OCCO1	ZINC000128454451	591068995	/nfs/dbraw/zinc/06/89/95/591068995.db2.gz	XQWXIVYHCTUOPJ-UHFFFAOYSA-N	0	1	202.254	0.694	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCc1n[nH]c(=O)n1C	ZINC000880650415	591119057	/nfs/dbraw/zinc/11/90/57/591119057.db2.gz	SLSKEEMGFGLRFK-UHFFFAOYSA-N	0	1	236.275	0.186	20	30		BCEDMN
CNC(C)(C)c1cn(CCO[C@H](C)C#N)nn1	ZINC000881323189	591190842	/nfs/dbraw/zinc/19/08/42/591190842.db2.gz	CRJIMICBHKRIAY-SECBINFHSA-N	0	1	237.307	0.661	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1	ZINC000881938103	591280264	/nfs/dbraw/zinc/28/02/64/591280264.db2.gz	XBJJRYNUXUVGKK-SECBINFHSA-N	0	1	247.273	0.698	20	30		BCEDMN
Cc1nc(C#N)cc(N2CCc3cn[nH]c3C2)n1	ZINC000882125218	591301834	/nfs/dbraw/zinc/30/18/34/591301834.db2.gz	NLIKNKAMFUWXPS-UHFFFAOYSA-N	0	1	240.270	0.943	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC	ZINC000882486723	591363629	/nfs/dbraw/zinc/36/36/29/591363629.db2.gz	VDHZOJZEDNAYAM-STQMWFEESA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCOCCC(=O)NC[C@@H]1CCN1CC	ZINC000882490073	591366630	/nfs/dbraw/zinc/36/66/30/591366630.db2.gz	YAQZEBGNHPDPSN-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CCc1c[nH]nn1	ZINC000882902882	591471354	/nfs/dbraw/zinc/47/13/54/591471354.db2.gz	RFBGSKRASRQKSG-SNVBAGLBSA-N	0	1	238.291	0.181	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CCc1cnn[nH]1	ZINC000882902882	591471359	/nfs/dbraw/zinc/47/13/59/591471359.db2.gz	RFBGSKRASRQKSG-SNVBAGLBSA-N	0	1	238.291	0.181	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)C1(N(C)C)CC1	ZINC000882902425	591471377	/nfs/dbraw/zinc/47/13/77/591471377.db2.gz	GVIDEAQUPHCZRP-JTQLQIEISA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CN(C)C1CCC1	ZINC000882902819	591471916	/nfs/dbraw/zinc/47/19/16/591471916.db2.gz	PKHGEWVBMQDCJZ-NSHDSACASA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)N(C)C	ZINC000882903457	591472576	/nfs/dbraw/zinc/47/25/76/591472576.db2.gz	CRDPWZWRAPZASA-ZJUUUORDSA-N	0	1	214.309	0.380	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc([C@H](C)O)s1	ZINC000883125073	591544862	/nfs/dbraw/zinc/54/48/62/591544862.db2.gz	YFLNEGLGSADEFD-IUCAKERBSA-N	0	1	240.328	0.670	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1n[nH]cc1C	ZINC000883156944	591555282	/nfs/dbraw/zinc/55/52/82/591555282.db2.gz	GZGHKVDDZUHAOQ-JTQLQIEISA-N	0	1	207.277	0.582	20	30		BCEDMN
C#CC1(F)CN(C(=O)N[C@@H]2CCCN(C)C2)C1	ZINC000883178311	591563417	/nfs/dbraw/zinc/56/34/17/591563417.db2.gz	UKDGKOSEMTZEKC-SNVBAGLBSA-N	0	1	239.294	0.447	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1nccnc1OC	ZINC000883400854	591648452	/nfs/dbraw/zinc/64/84/52/591648452.db2.gz	WULBXQBPEFCDFC-JTQLQIEISA-N	0	1	237.303	0.902	20	30		BCEDMN
C=CC[C@@H](C)[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000883409211	591650990	/nfs/dbraw/zinc/65/09/90/591650990.db2.gz	RKVTZVMBFGQXCI-CKYFFXLPSA-N	0	1	225.288	0.984	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)C(C)(C)C1	ZINC000883581258	591695940	/nfs/dbraw/zinc/69/59/40/591695940.db2.gz	TUDPBBOVHRHHAQ-SNVBAGLBSA-N	0	1	223.320	0.744	20	30		BCEDMN
Cc1cc(C)nc(C(=O)Nc2nn[nH]n2)c1	ZINC000028260306	591696424	/nfs/dbraw/zinc/69/64/24/591696424.db2.gz	VAEZFWMRECOHBO-UHFFFAOYSA-N	0	1	218.220	0.848	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NC[C@@H](C)C#N	ZINC000883601855	591699541	/nfs/dbraw/zinc/69/95/41/591699541.db2.gz	HPFQNRGMTBGXFW-VHSXEESVSA-N	0	1	224.308	0.539	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NCC(C)(C)C#N	ZINC000883603194	591700855	/nfs/dbraw/zinc/70/08/55/591700855.db2.gz	NPJCMCDDQZVPIQ-JTQLQIEISA-N	0	1	238.335	0.930	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NCC1(C#N)CC1	ZINC000883668818	591714926	/nfs/dbraw/zinc/71/49/26/591714926.db2.gz	MKPNMJYDCAJCBD-JTQLQIEISA-N	0	1	236.319	0.684	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)NC[C@H]1CCN1CC	ZINC000883896330	591764938	/nfs/dbraw/zinc/76/49/38/591764938.db2.gz	NMFDPUAAXNNCKF-WDEREUQCSA-N	0	1	241.335	0.317	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000884018590	591801431	/nfs/dbraw/zinc/80/14/31/591801431.db2.gz	YOGHMTUABJPEDR-MRVPVSSYSA-N	0	1	218.260	0.320	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1	ZINC000884031775	591814693	/nfs/dbraw/zinc/81/46/93/591814693.db2.gz	ZMJFPCWGDNYILR-QMMMGPOBSA-N	0	1	218.260	0.320	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1c[nH]cc1C1CC1	ZINC000884250726	591884195	/nfs/dbraw/zinc/88/41/95/591884195.db2.gz	MGDKOJLGSPNWBN-SKDRFNHKSA-N	0	1	244.298	0.733	20	30		BCEDMN
Cc1cnc(F)cc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000884249839	591884330	/nfs/dbraw/zinc/88/43/30/591884330.db2.gz	SAPZQZJEXUEPHY-SCZZXKLOSA-N	0	1	248.261	0.371	20	30		BCEDMN
CN1CCN(C[C@H](O)CC2(C#N)CCC2)CC1	ZINC000885946507	592113309	/nfs/dbraw/zinc/11/33/09/592113309.db2.gz	KUICANUTLKNNAR-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
C#CCCN1CCN(C[C@](C)(O)C(F)F)CC1	ZINC000886092108	592146751	/nfs/dbraw/zinc/14/67/51/592146751.db2.gz	OGQCMJQEEREXPN-LBPRGKRZSA-N	0	1	246.301	0.643	20	30		BCEDMN
CCN(CC(N)=O)C[C@@H](O)CC1(C#N)CCC1	ZINC000886166415	592167745	/nfs/dbraw/zinc/16/77/45/592167745.db2.gz	HWGRPMWQLRRUQW-JTQLQIEISA-N	0	1	239.319	0.238	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cocn2)C1	ZINC000886211437	592177312	/nfs/dbraw/zinc/17/73/12/592177312.db2.gz	PFRBFSZTSJOXBZ-LLVKDONJSA-N	0	1	219.288	0.862	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2C[C@@H]2C1	ZINC000886336391	592211459	/nfs/dbraw/zinc/21/14/59/592211459.db2.gz	QOONGKIQFURDDB-SDDRHHMPSA-N	0	1	235.331	0.946	20	30		BCEDMN
C#CC[C@H]1CCN(CCS(=O)(=O)CC)C1	ZINC000886358460	592216800	/nfs/dbraw/zinc/21/68/00/592216800.db2.gz	VFDRKUKPBBWSIV-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CC[C@@H]1CCN([C@@H]2CON(CC)C2=O)C1	ZINC000886364384	592216925	/nfs/dbraw/zinc/21/69/25/592216925.db2.gz	YFVXUXFKUGLHKT-GHMZBOCLSA-N	0	1	222.288	0.494	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)[C@@H]1CCC[C@H]1O	ZINC000886481799	592231626	/nfs/dbraw/zinc/23/16/26/592231626.db2.gz	FJHOMLIOUZOCRT-GMTAPVOTSA-N	0	1	227.304	0.949	20	30		BCEDMN
C#CCCN1CCN(c2nc(C)cc(=O)[nH]2)CC1	ZINC000886656810	592292252	/nfs/dbraw/zinc/29/22/52/592292252.db2.gz	SLFPUWWURIWVSM-UHFFFAOYSA-N	0	1	246.314	0.636	20	30		BCEDMN
COC[C@H](NCCC#N)[C@H]1CCCOC1	ZINC000886906166	592393270	/nfs/dbraw/zinc/39/32/70/592393270.db2.gz	SAJSQUOTUKCVMW-QWRGUYRKSA-N	0	1	212.293	0.931	20	30		BCEDMN
COC[C@@H](NCCC#N)[C@@H]1CCCOC1	ZINC000886906164	592393614	/nfs/dbraw/zinc/39/36/14/592393614.db2.gz	SAJSQUOTUKCVMW-GHMZBOCLSA-N	0	1	212.293	0.931	20	30		BCEDMN
C#CCC1(NCc2nnc(C)[nH]2)CCOCC1	ZINC000887122229	592446140	/nfs/dbraw/zinc/44/61/40/592446140.db2.gz	OWYOWVGOOFHYRU-UHFFFAOYSA-N	0	1	234.303	0.775	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCCF	ZINC000887137603	592451895	/nfs/dbraw/zinc/45/18/95/592451895.db2.gz	NURAKDGDUYBFCH-VIFPVBQESA-N	0	1	202.273	0.969	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(C)[C@@H](C)C1	ZINC000300934782	592525613	/nfs/dbraw/zinc/52/56/13/592525613.db2.gz	CFBTUXDHMNFXAA-VHSXEESVSA-N	0	1	212.293	0.350	20	30		BCEDMN
COC(=O)N[C@H]1CCN(CCO[C@H](C)C#N)C1	ZINC000302346054	592546787	/nfs/dbraw/zinc/54/67/87/592546787.db2.gz	IFHBWOAGAWAJHI-ZJUUUORDSA-N	0	1	241.291	0.345	20	30		BCEDMN
C#CC1(F)CN(C(=O)NC[C@H]2CCN2CC)C1	ZINC000890055698	592672956	/nfs/dbraw/zinc/67/29/56/592672956.db2.gz	DTYBHIIGBURZRI-SNVBAGLBSA-N	0	1	239.294	0.447	20	30		BCEDMN
COCC#CC[N@@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000694750685	597507299	/nfs/dbraw/zinc/50/72/99/597507299.db2.gz	YQIARCUDEBYTCJ-JTQLQIEISA-N	0	1	211.261	0.575	20	30		BCEDMN
COCC#CC[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000694750685	597507300	/nfs/dbraw/zinc/50/73/00/597507300.db2.gz	YQIARCUDEBYTCJ-JTQLQIEISA-N	0	1	211.261	0.575	20	30		BCEDMN
C[NH+]1CCN(N=C2CCC(C(=O)[O-])CC2)CC1	ZINC000820626034	598096320	/nfs/dbraw/zinc/09/63/20/598096320.db2.gz	GZKQXUGLRGLDQD-UHFFFAOYSA-N	0	1	239.319	0.865	20	30		BCEDMN
C=CCCC[N@H+](C)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000736102313	600262586	/nfs/dbraw/zinc/26/25/86/600262586.db2.gz	GBXRQMYCUGIDEA-VIFPVBQESA-N	0	1	228.292	0.474	20	30		BCEDMN
C#CCNC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1	ZINC000310084608	604462667	/nfs/dbraw/zinc/46/26/67/604462667.db2.gz	FXRMIAWHOCVTJD-UHFFFAOYSA-N	0	1	238.287	0.065	20	30		BCEDMN
C#CCNC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1	ZINC000310084608	604462669	/nfs/dbraw/zinc/46/26/69/604462669.db2.gz	FXRMIAWHOCVTJD-UHFFFAOYSA-N	0	1	238.287	0.065	20	30		BCEDMN
C#CCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)[O-]	ZINC000080992567	605849024	/nfs/dbraw/zinc/84/90/24/605849024.db2.gz	KUDZDZVQBZRXEF-JTQLQIEISA-N	0	1	238.287	0.065	20	30		BCEDMN
C#CCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)[O-]	ZINC000080992567	605849026	/nfs/dbraw/zinc/84/90/26/605849026.db2.gz	KUDZDZVQBZRXEF-JTQLQIEISA-N	0	1	238.287	0.065	20	30		BCEDMN
CCOCCCNC(=O)C(C#N)C(=O)C1CC1	ZINC000124176511	634395263	/nfs/dbraw/zinc/39/52/63/634395263.db2.gz	PGNIHPIUTLMZSM-JTQLQIEISA-N	0	1	238.287	0.648	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1CCC1	ZINC000124958624	634447086	/nfs/dbraw/zinc/44/70/86/634447086.db2.gz	JZQSKBQQAJGULE-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
C=CCS(=O)(=O)CCN[C@@H](C)COC(C)=O	ZINC000893505354	634543220	/nfs/dbraw/zinc/54/32/20/634543220.db2.gz	KUWMDZLSOZQZEY-VIFPVBQESA-N	0	1	249.332	0.128	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2cscn2)C1	ZINC001010375702	635462497	/nfs/dbraw/zinc/46/24/97/635462497.db2.gz	JRAODKNUJPBUBO-JTQLQIEISA-N	0	1	249.339	0.971	20	30		BCEDMN
C=C(C)CN1CCCN(C(=O)c2nc[nH]n2)CC1	ZINC000982276202	635516975	/nfs/dbraw/zinc/51/69/75/635516975.db2.gz	XTTJCFWEHDPGBU-UHFFFAOYSA-N	0	1	249.318	0.529	20	30		BCEDMN
C#CCCCNS(=O)(=O)c1ncc[nH]1	ZINC000308458126	631346083	/nfs/dbraw/zinc/34/60/83/631346083.db2.gz	CHSDNDDFUSKQON-UHFFFAOYSA-N	0	1	213.262	0.101	20	30		BCEDMN
C[C@@]1(C#N)CN(Cc2cnc[nH]2)CCO1	ZINC000933603056	631453390	/nfs/dbraw/zinc/45/33/90/631453390.db2.gz	AWTKOKMROYIRHO-SNVBAGLBSA-N	0	1	206.249	0.524	20	30		BCEDMN
O=C1C=COC2(CCN(Cc3c[nH]nn3)CC2)C1	ZINC000933645900	631473899	/nfs/dbraw/zinc/47/38/99/631473899.db2.gz	DKKOFAYHIRPORR-UHFFFAOYSA-N	0	1	248.286	0.642	20	30		BCEDMN
C#C[C@@H](NCC1OCCO1)[C@@H]1CCCO1	ZINC000308803183	631491690	/nfs/dbraw/zinc/49/16/90/631491690.db2.gz	ABFIIYZNZRRWSA-ZJUUUORDSA-N	0	1	211.261	0.130	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cncn2C)C1	ZINC000971874190	631571265	/nfs/dbraw/zinc/57/12/65/631571265.db2.gz	BVNLXEWGKWSGRE-NSHDSACASA-N	0	1	246.314	0.200	20	30		BCEDMN
C#C[C@@H](NCC1OCCO1)[C@H]1CCCO1	ZINC000308803177	631667457	/nfs/dbraw/zinc/66/74/57/631667457.db2.gz	ABFIIYZNZRRWSA-NXEZZACHSA-N	0	1	211.261	0.130	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1	ZINC000972104411	631780654	/nfs/dbraw/zinc/78/06/54/631780654.db2.gz	KSLKAXQZYTWGTI-SRVKXCTJSA-N	0	1	220.316	0.808	20	30		BCEDMN
C=CC[C@H]1CCN1CCNS(=O)(=O)CC	ZINC000934468802	631862128	/nfs/dbraw/zinc/86/21/28/631862128.db2.gz	JVCOMGAMZPIGQM-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NCCCOC	ZINC000934472587	631866963	/nfs/dbraw/zinc/86/69/63/631866963.db2.gz	OGTIMQSKBCSKTD-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NC(=O)NC	ZINC000934472368	631867047	/nfs/dbraw/zinc/86/70/47/631867047.db2.gz	MQTDZWYENHTHCI-QMMMGPOBSA-N	0	1	211.265	0.092	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)NCCC#N	ZINC000934472777	631867298	/nfs/dbraw/zinc/86/72/98/631867298.db2.gz	UQCFAONPZLRPHH-JTQLQIEISA-N	0	1	207.277	0.667	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2conc2C)C1	ZINC000972206199	631871949	/nfs/dbraw/zinc/87/19/49/631871949.db2.gz	HISDIYXTMGNEPN-LLVKDONJSA-N	0	1	247.298	0.763	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCn1cncn1	ZINC000934512063	631895209	/nfs/dbraw/zinc/89/52/09/631895209.db2.gz	YPGZBYBVMIUKTH-LLVKDONJSA-N	0	1	204.277	0.766	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1	ZINC000972415523	632024961	/nfs/dbraw/zinc/02/49/61/632024961.db2.gz	PTBXXAXTCYUEDP-GFCCVEGCSA-N	0	1	244.298	0.256	20	30		BCEDMN
C#CCONC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	ZINC000308876774	632060051	/nfs/dbraw/zinc/06/00/51/632060051.db2.gz	BSPAMAWUXRRIKB-KATARQTJSA-N	0	1	211.261	0.727	20	30		BCEDMN
C[C@@H](CC(N)=O)NCc1ccc(C#N)cn1	ZINC000309543228	632480798	/nfs/dbraw/zinc/48/07/98/632480798.db2.gz	GGMXKUTZKYZNFR-QMMMGPOBSA-N	0	1	218.260	0.307	20	30		BCEDMN
COCC(=O)Nc1cc(C#N)ccc1O	ZINC000176821647	632522726	/nfs/dbraw/zinc/52/27/26/632522726.db2.gz	RDIDZDMAHWWFOB-UHFFFAOYSA-N	0	1	206.201	0.849	20	30		BCEDMN
C#C[C@H](NCC(OC)OC)[C@H]1CCCO1	ZINC000308969481	632600180	/nfs/dbraw/zinc/60/01/80/632600180.db2.gz	YESNRVIBKCKLEF-VHSXEESVSA-N	0	1	213.277	0.376	20	30		BCEDMN
C#CCN1C[C@@H](NC(=O)C2CC2)C(C)(C)C1	ZINC000972721338	632647006	/nfs/dbraw/zinc/64/70/06/632647006.db2.gz	NAIXHMZSXIVMEW-LLVKDONJSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)Nc1c[nH]nn1	ZINC000935597926	632852120	/nfs/dbraw/zinc/85/21/20/632852120.db2.gz	QCCYYESDMYSYEL-SNVBAGLBSA-N	0	1	224.264	0.972	20	30		BCEDMN
C=CCCC[C@H](NC(=O)CN(C)C)C(=O)OC	ZINC000928314496	635858652	/nfs/dbraw/zinc/85/86/52/635858652.db2.gz	SIOVZZWPHFBPTP-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCCC[C@@H](NC(=O)CN(C)C)C(=O)OC	ZINC000928314497	635859109	/nfs/dbraw/zinc/85/91/09/635859109.db2.gz	SIOVZZWPHFBPTP-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=C(Br)CNC(=O)[C@H](C)N(C)C	ZINC000308177533	633188510	/nfs/dbraw/zinc/18/85/10/633188510.db2.gz	ZVPQGUULTWVRPN-ZETCQYMHSA-N	0	1	235.125	0.961	20	30		BCEDMN
C[C@@H]1CN(C[C@H](O)CC#N)CCS1	ZINC000307492831	635989005	/nfs/dbraw/zinc/98/90/05/635989005.db2.gz	ZKDSEWUHHKECHJ-RKDXNWHRSA-N	0	1	200.307	0.698	20	30		BCEDMN
C=CCOCCn1cc(CNC(C)C)nn1	ZINC000052598970	636026422	/nfs/dbraw/zinc/02/64/22/636026422.db2.gz	FVWAGTGTLZMMLC-UHFFFAOYSA-N	0	1	224.308	0.979	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)C[N@H+](C)C1CCC1	ZINC000909515467	636135658	/nfs/dbraw/zinc/13/56/58/636135658.db2.gz	TUGYPTKYQBSCNT-UHFFFAOYSA-N	0	1	240.303	0.570	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)C[N@H+](CC)C1CC1	ZINC000909516626	636136440	/nfs/dbraw/zinc/13/64/40/636136440.db2.gz	KXOGZORSHHMTBR-UHFFFAOYSA-N	0	1	240.303	0.570	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@H](C)C1	ZINC001025823749	633780574	/nfs/dbraw/zinc/78/05/74/633780574.db2.gz	CITXUUKCZRYRSO-KVSVUVNWSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H](C)C1	ZINC001025823748	633781645	/nfs/dbraw/zinc/78/16/45/633781645.db2.gz	CITXUUKCZRYRSO-JZRPKSSGSA-N	0	1	248.326	0.091	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@H+]2CCC[C@@H]12)C(=O)[O-]	ZINC000309349821	633899616	/nfs/dbraw/zinc/89/96/16/633899616.db2.gz	MPDXSUHFLBKGCR-SCZZXKLOSA-N	0	1	225.292	0.663	20	30		BCEDMN
C=C[C@H](CC)CC(=O)OCc1nn(C)c(=O)[nH]1	ZINC000909524836	636165086	/nfs/dbraw/zinc/16/50/86/636165086.db2.gz	JWGDXBKSQXSAQS-MRVPVSSYSA-N	0	1	239.275	0.754	20	30		BCEDMN
COC/C(C)=C/CN1CC[C@](O)(CC#N)C1	ZINC000930818742	634116100	/nfs/dbraw/zinc/11/61/00/634116100.db2.gz	MXJKUAFLWGFTDI-NDZKXSSTSA-N	0	1	224.304	0.930	20	30		BCEDMN
C=CCNC(=O)CNCc1cnc(F)cc1C	ZINC000893318759	634175294	/nfs/dbraw/zinc/17/52/94/634175294.db2.gz	OVXGOPOXOXPPOP-UHFFFAOYSA-N	0	1	237.278	0.921	20	30		BCEDMN
C#CCNCC(=O)N1C[C@H](C)OC[C@@H]1CC	ZINC000082344012	634201584	/nfs/dbraw/zinc/20/15/84/634201584.db2.gz	AOZQPBZBGRKREH-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCN(CCOC)C(=O)c1[nH]nnc1C	ZINC000194597932	634324812	/nfs/dbraw/zinc/32/48/12/634324812.db2.gz	WJDITSHVWZEJDS-UHFFFAOYSA-N	0	1	224.264	0.388	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cccnc1	ZINC001027709321	635121937	/nfs/dbraw/zinc/12/19/37/635121937.db2.gz	PQXITSFAQWIAIQ-CYBMUJFWSA-N	0	1	243.310	0.909	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ccn[nH]1	ZINC001027766014	635139333	/nfs/dbraw/zinc/13/93/33/635139333.db2.gz	PYNORYVJASDLGY-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1	ZINC001027764414	635139698	/nfs/dbraw/zinc/13/96/98/635139698.db2.gz	YHZQGUUIFZVCQV-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)C1=COCCC1	ZINC001027787116	635152717	/nfs/dbraw/zinc/15/27/17/635152717.db2.gz	GBANDEXJFGOBJB-CYBMUJFWSA-N	0	1	248.326	0.895	20	30		BCEDMN
C#CCCN1CCCN(C(=O)[C@H](C)OC)CC1	ZINC000980786828	635275690	/nfs/dbraw/zinc/27/56/90/635275690.db2.gz	YVFFQUUBIPYASI-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cc(C)nn2C)C1	ZINC001010341407	635382638	/nfs/dbraw/zinc/38/26/38/635382638.db2.gz	DLKJXXXGKLCFRG-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@H]2CCOC2)C1	ZINC001010362759	635424551	/nfs/dbraw/zinc/42/45/51/635424551.db2.gz	WRHGHCSGYAKIRH-NWDGAFQWSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cn2cccn2)CC1	ZINC000928659518	636276570	/nfs/dbraw/zinc/27/65/70/636276570.db2.gz	PIJZCDKKHJZTJE-UHFFFAOYSA-N	0	1	246.314	0.097	20	30		BCEDMN
C[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)N(C)C	ZINC000928799517	636364511	/nfs/dbraw/zinc/36/45/11/636364511.db2.gz	CXUMXKOXCNJYJX-RNFRBKRXSA-N	0	1	237.225	0.897	20	30		BCEDMN
COC(=O)[C@@H]1CSCCN1C(=O)C(C)C#N	ZINC000925209850	636388313	/nfs/dbraw/zinc/38/83/13/636388313.db2.gz	UITBGAURMMJSQD-YUMQZZPRSA-N	0	1	242.300	0.263	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@H](NCC#N)C[C@H]2C)n[nH]1	ZINC000988251704	636684433	/nfs/dbraw/zinc/68/44/33/636684433.db2.gz	WNUMVDPTLMUROT-NXEZZACHSA-N	0	1	247.302	0.434	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2ccn(C)n2)C1	ZINC001014405727	636865053	/nfs/dbraw/zinc/86/50/53/636865053.db2.gz	JERFUGKTJPQVEJ-LBPRGKRZSA-N	0	1	248.330	0.339	20	30		BCEDMN
C#CCNCC(=O)N1C[C@H](C)OC[C@H]1CC	ZINC000082344010	636868981	/nfs/dbraw/zinc/86/89/81/636868981.db2.gz	AOZQPBZBGRKREH-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)c1[nH]ncc1F	ZINC000900464956	637187998	/nfs/dbraw/zinc/18/79/98/637187998.db2.gz	VTCXZUWIAUCLAJ-VIFPVBQESA-N	0	1	210.212	0.971	20	30		BCEDMN
COC/C(C)=C\Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000901566418	637259895	/nfs/dbraw/zinc/25/98/95/637259895.db2.gz	SEZNEYWDZJVUMO-BAQGIRSFSA-N	0	1	235.243	0.001	20	30		BCEDMN
CCn1nncc1/C=C1\C(=O)c2ncnn2C1C	ZINC000905082986	637582319	/nfs/dbraw/zinc/58/23/19/637582319.db2.gz	AGEHJHSBGXYGRZ-CPLNQPMESA-N	0	1	244.258	0.730	20	30		BCEDMN
CC1/C(=C\c2cnn(C)n2)C(=O)c2ncnn21	ZINC000905083035	637582935	/nfs/dbraw/zinc/58/29/35/637582935.db2.gz	ARYNPXUFUUGHSQ-LHZIMZGKSA-N	0	1	230.231	0.248	20	30		BCEDMN
C#CCN1CCC(NC(=O)NC(C)C)CC1	ZINC000905146472	637656084	/nfs/dbraw/zinc/65/60/84/637656084.db2.gz	YBVVZERPFINKOW-UHFFFAOYSA-N	0	1	223.320	0.792	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCC=C)CC1	ZINC000905146763	637657067	/nfs/dbraw/zinc/65/70/67/637657067.db2.gz	YVVDMPPVSLCSSU-UHFFFAOYSA-N	0	1	221.304	0.569	20	30		BCEDMN
N#CC1(CNC[C@@H](O)C2(O)CCC2)CC1	ZINC000905244366	637704311	/nfs/dbraw/zinc/70/43/11/637704311.db2.gz	QFYFJVACVSGCQY-SECBINFHSA-N	0	1	210.277	0.156	20	30		BCEDMN
CC(C)c1nc(CS(=O)(=O)CCC#N)n[nH]1	ZINC000905266922	637719621	/nfs/dbraw/zinc/71/96/21/637719621.db2.gz	LCNXSQNXXDVYMY-UHFFFAOYSA-N	0	1	242.304	0.757	20	30		BCEDMN
C=CC[C@@H](NC[C@@H]1CCN1CC)C(=O)OC	ZINC000905802976	637933973	/nfs/dbraw/zinc/93/39/73/637933973.db2.gz	AQIOERTVSHGFTR-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc(CNC(C)C)nn1	ZINC000905802462	637934953	/nfs/dbraw/zinc/93/49/53/637934953.db2.gz	HLPWEVDMPRWYNE-JTQLQIEISA-N	0	1	238.291	0.676	20	30		BCEDMN
CN(CC#N)C(=O)c1cccc2[nH]c(CO)nc21	ZINC000906469935	638173027	/nfs/dbraw/zinc/17/30/27/638173027.db2.gz	LXJXUHMNNZXGAH-UHFFFAOYSA-N	0	1	244.254	0.651	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000907362740	638361571	/nfs/dbraw/zinc/36/15/71/638361571.db2.gz	KHYREQQRXJBSHM-QMMMGPOBSA-N	0	1	209.249	0.005	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907387319	638369359	/nfs/dbraw/zinc/36/93/59/638369359.db2.gz	HYUUZYMXACDUCY-CKYFFXLPSA-N	0	1	239.319	0.250	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cnc[nH]1)[C@H]1CCCO1	ZINC000907489303	638390261	/nfs/dbraw/zinc/39/02/61/638390261.db2.gz	XXPVGDGXRVBFFL-WDEREUQCSA-N	0	1	233.271	0.249	20	30		BCEDMN
C=C(C)CNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907520476	638403039	/nfs/dbraw/zinc/40/30/39/638403039.db2.gz	DARYYCJZJNALCU-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
CCOC(=O)[C@@H]1CSCN1C(=O)C(C)C#N	ZINC000907898455	638503736	/nfs/dbraw/zinc/50/37/36/638503736.db2.gz	UEDALVQUYKWNEZ-SFYZADRCSA-N	0	1	242.300	0.611	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907963955	638525867	/nfs/dbraw/zinc/52/58/67/638525867.db2.gz	YKLRMCCZHYTEMN-GMXVVIOVSA-N	0	1	240.347	0.912	20	30		BCEDMN
C#C[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C)C(C)C	ZINC000907965531	638528661	/nfs/dbraw/zinc/52/86/61/638528661.db2.gz	FYXUNVRLIPBGEX-MDZLAQPJSA-N	0	1	238.331	0.216	20	30		BCEDMN
C=CCN(CCC#N)C(=O)Cc1c[nH]cn1	ZINC000908340767	638658197	/nfs/dbraw/zinc/65/81/97/638658197.db2.gz	ACQRWBPIUKBPDS-UHFFFAOYSA-N	0	1	218.260	0.880	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000908622080	639037609	/nfs/dbraw/zinc/03/76/09/639037609.db2.gz	YQQPKVVIOBOXQZ-YGOYTEALSA-N	0	1	247.298	0.186	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C	ZINC000908622078	639037959	/nfs/dbraw/zinc/03/79/59/639037959.db2.gz	YQQPKVVIOBOXQZ-LNLATYFQSA-N	0	1	247.298	0.186	20	30		BCEDMN
C=CC(C)(C)CNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000908939752	639096763	/nfs/dbraw/zinc/09/67/63/639096763.db2.gz	NIIJUTTWRYTBOM-MFKMUULPSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CCONC(=O)C[C@@]1(O)CCC[N@H+](C)C1	ZINC000909283061	639195915	/nfs/dbraw/zinc/19/59/15/639195915.db2.gz	QFQFNLSJOKJQEI-NSHDSACASA-N	0	1	228.292	0.067	20	30		BCEDMN
CC(C)(C(=O)N[C@@H](C#N)CO)N1CCCCC1	ZINC000909306736	639201263	/nfs/dbraw/zinc/20/12/63/639201263.db2.gz	WPBUOVDAUPPPHX-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
CC(C)(C(=O)N[C@H](C#N)CO)N1CCCCC1	ZINC000909306738	639201920	/nfs/dbraw/zinc/20/19/20/639201920.db2.gz	WPBUOVDAUPPPHX-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	ZINC000909718512	639211749	/nfs/dbraw/zinc/21/17/49/639211749.db2.gz	PIHLUZHUDMHYHT-SNVBAGLBSA-N	0	1	242.319	0.862	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)C[N@H+](C)CCC)C(=O)[O-]	ZINC000910287729	639405054	/nfs/dbraw/zinc/40/50/54/639405054.db2.gz	RZOOZSDCUDZCEP-JTQLQIEISA-N	0	1	242.319	0.864	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[O-]	ZINC000910286978	639406249	/nfs/dbraw/zinc/40/62/49/639406249.db2.gz	LUKMHBJDCOXIAH-VHSXEESVSA-N	0	1	240.303	0.616	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@@H](Oc2ccncc2)C1	ZINC000930266207	639669469	/nfs/dbraw/zinc/66/94/69/639669469.db2.gz	JLSYCCOTEQCMQM-DGCLKSJQSA-N	0	1	247.298	0.809	20	30		BCEDMN
C[N@@H+](Cc1cncc(C#N)c1)C1(CO)CC1	ZINC000930464691	639769369	/nfs/dbraw/zinc/76/93/69/639769369.db2.gz	HLDNAIWMMLVSDF-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
CN(Cc1cncc(C#N)c1)C1(CO)CC1	ZINC000930464691	639769380	/nfs/dbraw/zinc/76/93/80/639769380.db2.gz	HLDNAIWMMLVSDF-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
C#CCN(Cc1ccccc1)C[C@@H](O)CO	ZINC000930475399	639770774	/nfs/dbraw/zinc/77/07/74/639770774.db2.gz	FXBVGHLJLCWTKP-CYBMUJFWSA-N	0	1	219.284	0.475	20	30		BCEDMN
C#C[C@@](C)(CC)N[C@H]1CCN(OC)C1=O	ZINC000930602075	639817527	/nfs/dbraw/zinc/81/75/27/639817527.db2.gz	YJYRTHWCTFSDCQ-ONGXEEELSA-N	0	1	210.277	0.540	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)C1(O)CCC1	ZINC000930693595	639863825	/nfs/dbraw/zinc/86/38/25/639863825.db2.gz	QUIDCKIXIURFRZ-UWVGGRQHSA-N	0	1	212.293	0.544	20	30		BCEDMN
C=C(C)CO[N-]C(=O)C1CN(C)CC[N@@H+](C)C1	ZINC000911902171	639883656	/nfs/dbraw/zinc/88/36/56/639883656.db2.gz	TUVKZAJIUIZTMY-UHFFFAOYSA-N	0	1	241.335	0.104	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[C@]1(O)CCC[N@H+](C)C1	ZINC000911902710	639884168	/nfs/dbraw/zinc/88/41/68/639884168.db2.gz	DDTAFNPSEWADHS-CMPLNLGQSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[C@]1(O)CCC[N@@H+](C)C1	ZINC000911902710	639884171	/nfs/dbraw/zinc/88/41/71/639884171.db2.gz	DDTAFNPSEWADHS-CMPLNLGQSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C	ZINC000911902689	639884227	/nfs/dbraw/zinc/88/42/27/639884227.db2.gz	CRNPGZLCXOFHSW-IQJOONFLSA-N	0	1	228.292	0.064	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C1CN(C)CC[N@@H+](C)C1	ZINC000911903311	639886805	/nfs/dbraw/zinc/88/68/05/639886805.db2.gz	RSDSVROSDQLSAN-JTQLQIEISA-N	0	1	241.335	0.102	20	30		BCEDMN
Cc1nnccc1NC(=O)NCC#CCN(C)C	ZINC000930814768	639916388	/nfs/dbraw/zinc/91/63/88/639916388.db2.gz	QONOIMRPXKSSRJ-UHFFFAOYSA-N	0	1	247.302	0.472	20	30		BCEDMN
CCN1[C@H](C)CN(C(=O)CC#N)C[C@@H]1C	ZINC000912024124	639922895	/nfs/dbraw/zinc/92/28/95/639922895.db2.gz	NVUACXDUBOVWEA-AOOOYVTPSA-N	0	1	209.293	0.841	20	30		BCEDMN
Cc1nccc(NC(=O)NCC#CCN(C)C)n1	ZINC000930836306	639935488	/nfs/dbraw/zinc/93/54/88/639935488.db2.gz	HQOACIRFFIYACI-UHFFFAOYSA-N	0	1	247.302	0.472	20	30		BCEDMN
C#C[C@H]1CCCN([C@@H]2CCN(OC)C2=O)C1	ZINC000930886613	639973874	/nfs/dbraw/zinc/97/38/74/639973874.db2.gz	UUKDWJHFNPYGDB-WDEREUQCSA-N	0	1	222.288	0.494	20	30		BCEDMN
C=CCCNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000912378491	640034731	/nfs/dbraw/zinc/03/47/31/640034731.db2.gz	HHAQNAIFVVBPTL-KOLCDFICSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCCNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000912378490	640033862	/nfs/dbraw/zinc/03/38/62/640033862.db2.gz	HHAQNAIFVVBPTL-GXSJLCMTSA-N	0	1	212.293	0.134	20	30		BCEDMN
C#CCN(C(=O)c1cc(C)[nH]n1)C1CSC1	ZINC000912370790	640042896	/nfs/dbraw/zinc/04/28/96/640042896.db2.gz	AXPCMRLBFYYERE-UHFFFAOYSA-N	0	1	235.312	0.909	20	30		BCEDMN
CN(CC1=CCSC1)C[C@H](O)CC#N	ZINC000931072532	640057776	/nfs/dbraw/zinc/05/77/76/640057776.db2.gz	UBVGKCJTNWNDJL-SNVBAGLBSA-N	0	1	212.318	0.866	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCC[C@H]1c1nnc[nH]1	ZINC000931140250	640076724	/nfs/dbraw/zinc/07/67/24/640076724.db2.gz	JPRNWXCQSZLXTK-UWVGGRQHSA-N	0	1	235.291	0.870	20	30		BCEDMN
C#CC1(O)CCN([C@@H](C)c2n[nH]c(C)n2)CC1	ZINC000931149269	640077745	/nfs/dbraw/zinc/07/77/45/640077745.db2.gz	FWGRAHSJSPDODF-VIFPVBQESA-N	0	1	234.303	0.634	20	30		BCEDMN
C#CC1(O)CCN(CCOCC(F)F)CC1	ZINC000931150885	640078310	/nfs/dbraw/zinc/07/83/10/640078310.db2.gz	JQLGXKJRNRNKPQ-UHFFFAOYSA-N	0	1	233.258	0.728	20	30		BCEDMN
C#CCONC(=O)c1c(C)n[nH]c1Cl	ZINC000912450450	640080597	/nfs/dbraw/zinc/08/05/97/640080597.db2.gz	SNHYXTXMPLIFDZ-UHFFFAOYSA-N	0	1	213.624	0.666	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12	ZINC000912450144	640080696	/nfs/dbraw/zinc/08/06/96/640080696.db2.gz	IKDKERCMZQUETD-WDEREUQCSA-N	0	1	222.288	0.684	20	30		BCEDMN
C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CCO)C1	ZINC000912600342	640123595	/nfs/dbraw/zinc/12/35/95/640123595.db2.gz	OZNPEGJCCXNCTJ-UHFFFAOYSA-N	0	1	240.347	0.725	20	30		BCEDMN
CCN(C(=O)Cc1c[nH]cn1)[C@@H](C)C#N	ZINC000912686959	640165457	/nfs/dbraw/zinc/16/54/57/640165457.db2.gz	DFYCFXFDUUKBLJ-QMMMGPOBSA-N	0	1	206.249	0.713	20	30		BCEDMN
C=CCN1CCC(N2C(=O)CNC2=O)CC1	ZINC000348909052	640219089	/nfs/dbraw/zinc/21/90/89/640219089.db2.gz	INYJJTIGDOWYLB-UHFFFAOYSA-N	0	1	223.276	0.189	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000912965830	640267299	/nfs/dbraw/zinc/26/72/99/640267299.db2.gz	HCNMAIFZLKLJQQ-JGVFFNPUSA-N	0	1	222.248	0.015	20	30		BCEDMN
COC1(OC)CC[N@H+]([C@@H](C)CCC#N)C[C@H]1O	ZINC000931636767	640298024	/nfs/dbraw/zinc/29/80/24/640298024.db2.gz	XLIPQBTYQVXKTM-WDEREUQCSA-N	0	1	242.319	0.734	20	30		BCEDMN
C=CCOCC[N@@H+]1CCC(OC)(OC)[C@H](O)C1	ZINC000931634057	640298660	/nfs/dbraw/zinc/29/86/60/640298660.db2.gz	LSZJMVCSILIUCS-LLVKDONJSA-N	0	1	245.319	0.245	20	30		BCEDMN
COC1(OC)CCOC[C@@H]1NCCCC#N	ZINC000931666960	640311028	/nfs/dbraw/zinc/31/10/28/640311028.db2.gz	HXTUEWXIZGXDBU-JTQLQIEISA-N	0	1	228.292	0.658	20	30		BCEDMN
Cc1cccnc1C(=O)NCC#CCN(C)C	ZINC000913519945	640381627	/nfs/dbraw/zinc/38/16/27/640381627.db2.gz	VXZNEYSLALINDM-UHFFFAOYSA-N	0	1	231.299	0.685	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)nc1	ZINC000913520734	640381887	/nfs/dbraw/zinc/38/18/87/640381887.db2.gz	WJYSMKCGZYJZJP-UHFFFAOYSA-N	0	1	231.299	0.685	20	30		BCEDMN
Cc1[nH]ccc1C(=O)NCC#CCN(C)C	ZINC000913520023	640382219	/nfs/dbraw/zinc/38/22/19/640382219.db2.gz	ZMOHKDGTIRVRQH-UHFFFAOYSA-N	0	1	219.288	0.618	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H](C)COC	ZINC000163807749	640419253	/nfs/dbraw/zinc/41/92/53/640419253.db2.gz	UCLFAHHCQQILAI-SECBINFHSA-N	0	1	201.266	0.842	20	30		BCEDMN
CCOCCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000129569239	640447828	/nfs/dbraw/zinc/44/78/28/640447828.db2.gz	UQDRYBUISOYHFD-SNVBAGLBSA-N	0	1	238.287	0.791	20	30		BCEDMN
C[C@@H](NC(=O)NCC#CCN(C)C)C(F)F	ZINC000932435077	640526126	/nfs/dbraw/zinc/52/61/26/640526126.db2.gz	RRWSJCYTBNQFGW-MRVPVSSYSA-N	0	1	233.262	0.504	20	30		BCEDMN
C#CCN1CC(NC(=O)c2[nH]nc(C)c2C)C1	ZINC001030168698	640649669	/nfs/dbraw/zinc/64/96/69/640649669.db2.gz	NKMSKTZCYUZSBP-UHFFFAOYSA-N	0	1	232.287	0.074	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cn[nH]c2)C[C@H]1C	ZINC000947093529	640664588	/nfs/dbraw/zinc/66/45/88/640664588.db2.gz	DKBFZRNOSQXPNR-PWSUYJOCSA-N	0	1	246.314	0.626	20	30		BCEDMN
CC[C@@H]1C(=O)NCCCN1CCO[C@H](C)C#N	ZINC000933217275	640682219	/nfs/dbraw/zinc/68/22/19/640682219.db2.gz	YKOAFUVEIBFTJS-GHMZBOCLSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCOCCN(C)Cc1cccc(=O)[nH]1	ZINC000933400769	640713665	/nfs/dbraw/zinc/71/36/65/640713665.db2.gz	CDIWKUAJJLWUKF-UHFFFAOYSA-N	0	1	220.272	0.869	20	30		BCEDMN
C[C@]12C[N@@H+](CC(=O)NCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1	ZINC000933707615	640751413	/nfs/dbraw/zinc/75/14/13/640751413.db2.gz	WHRCAUXXFVOGEC-KZVDOYCCSA-N	0	1	245.326	0.770	20	30		BCEDMN
C=C(CC)CN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000933726049	640753218	/nfs/dbraw/zinc/75/32/18/640753218.db2.gz	IZLKHLYHKABNBI-PHIMTYICSA-N	0	1	229.345	0.929	20	30		BCEDMN
COC[C@@H](CO)NCC#Cc1ccccc1	ZINC000229190962	640931294	/nfs/dbraw/zinc/93/12/94/640931294.db2.gz	JXXISLICWLNEFK-CYBMUJFWSA-N	0	1	219.284	0.635	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@H]2CC[C@@H]2OC)C1=O	ZINC000934109584	641072666	/nfs/dbraw/zinc/07/26/66/641072666.db2.gz	AXYIUTCZUZVFII-SRVKXCTJSA-N	0	1	238.331	0.883	20	30		BCEDMN
C=C(C)CN[C@@](C)(Cn1cccn1)C(N)=O	ZINC000934219418	641104248	/nfs/dbraw/zinc/10/42/48/641104248.db2.gz	JLVSZJWBTMDFOI-NSHDSACASA-N	0	1	222.292	0.293	20	30		BCEDMN
C=CC[C@H]1CCN1CCS(=O)(=O)N(C)C	ZINC000934463366	641158143	/nfs/dbraw/zinc/15/81/43/641158143.db2.gz	HNWABPVHITUGNC-JTQLQIEISA-N	0	1	232.349	0.528	20	30		BCEDMN
C=CC[C@H]1CCN1[C@@H]1CCN(OC)C1=O	ZINC000934461460	641155053	/nfs/dbraw/zinc/15/50/53/641155053.db2.gz	NGEIUQJWYRENHJ-VHSXEESVSA-N	0	1	210.277	0.799	20	30		BCEDMN
C=CC[C@H]1CCN1CC(=O)N1CCO[C@@H](C)C1	ZINC000934470891	641163023	/nfs/dbraw/zinc/16/30/23/641163023.db2.gz	HWACKIFIUPNUOD-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)NC(=O)NCCC	ZINC000934470857	641163555	/nfs/dbraw/zinc/16/35/55/641163555.db2.gz	HEIYIICAUWPPJX-SNVBAGLBSA-N	0	1	239.319	0.873	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)N1CCO[C@@H](C)C1	ZINC000934470889	641164878	/nfs/dbraw/zinc/16/48/78/641164878.db2.gz	HWACKIFIUPNUOD-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1C(=O)CNC1=O	ZINC000934510582	641178223	/nfs/dbraw/zinc/17/82/23/641178223.db2.gz	AQGKDXHONSCLMP-SNVBAGLBSA-N	0	1	235.287	0.026	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1	ZINC000971134058	641183610	/nfs/dbraw/zinc/18/36/10/641183610.db2.gz	GLQRHVSPKYKMOK-NSHDSACASA-N	0	1	232.287	0.189	20	30		BCEDMN
C#C[C@@H]1CCCCN1C[C@H](O)CC(=O)OCC	ZINC000934515522	641185018	/nfs/dbraw/zinc/18/50/18/641185018.db2.gz	MRSDZPLNGYSISZ-VXGBXAGGSA-N	0	1	239.315	0.788	20	30		BCEDMN
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N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1	ZINC001017372678	642971746	/nfs/dbraw/zinc/97/17/46/642971746.db2.gz	FDNSMZRNYLYSDR-AOOOYVTPSA-N	0	1	245.286	0.222	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cnco2)C1	ZINC001031883923	642980396	/nfs/dbraw/zinc/98/03/96/642980396.db2.gz	GPNQPZKYLKMGKX-UHFFFAOYSA-N	0	1	233.271	0.360	20	30		BCEDMN
C#CC[NH2+][C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001018749787	643008721	/nfs/dbraw/zinc/00/87/21/643008721.db2.gz	ABMOKCGSTNYDNV-JTQLQIEISA-N	0	1	245.282	0.225	20	30		BCEDMN
Cc1cc(CC(=O)N[C@H]2C[C@H](NCC#N)C2)[nH]n1	ZINC001020065721	643056542	/nfs/dbraw/zinc/05/65/42/643056542.db2.gz	NYKFZBOJFISYTB-MGCOHNPYSA-N	0	1	247.302	0.021	20	30		BCEDMN
C=CCCN1CC(N2CCN(C(C)=O)CC2)C1	ZINC000941259548	643079868	/nfs/dbraw/zinc/07/98/68/643079868.db2.gz	XPTIDHKLEITHIP-UHFFFAOYSA-N	0	1	237.347	0.411	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ccon2)C1	ZINC000969330287	643143105	/nfs/dbraw/zinc/14/31/05/643143105.db2.gz	OOUUSERLYCCKBP-VIFPVBQESA-N	0	1	235.287	0.911	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cocn2)[C@@H](C)C1	ZINC000941884543	643147434	/nfs/dbraw/zinc/14/74/34/643147434.db2.gz	HHPWMWIRWHWPRU-WDEREUQCSA-N	0	1	247.298	0.748	20	30		BCEDMN
CC#CCN1CC([C@H](C)NC(=O)c2ccn[nH]2)C1	ZINC000969336842	643148914	/nfs/dbraw/zinc/14/89/14/643148914.db2.gz	SFIRXYOIRHJQQQ-JTQLQIEISA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnc(C)[nH]2)C1	ZINC000969398762	643163234	/nfs/dbraw/zinc/16/32/34/643163234.db2.gz	KRKHXXOSQRQUCO-VIFPVBQESA-N	0	1	248.330	0.954	20	30		BCEDMN
N#CC1(COC(=O)CCc2nc[nH]n2)CCC1	ZINC000183888226	643177395	/nfs/dbraw/zinc/17/73/95/643177395.db2.gz	BISDPYWZURXBHN-UHFFFAOYSA-N	0	1	234.259	0.974	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnco2)C1	ZINC000970229561	643402003	/nfs/dbraw/zinc/40/20/03/643402003.db2.gz	VIYIIHBQMSHFIQ-VIFPVBQESA-N	0	1	235.287	0.911	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1nnc2ccccc2c1O	ZINC000186002867	643422573	/nfs/dbraw/zinc/42/25/73/643422573.db2.gz	CLIMFPQQDMLBLV-QMMMGPOBSA-N	0	1	241.250	0.675	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc[nH]1	ZINC001032276585	643430345	/nfs/dbraw/zinc/43/03/45/643430345.db2.gz	WJEWXCHLKXPMIU-RYUDHWBXSA-N	0	1	243.310	0.937	20	30		BCEDMN
C[C@@H](O)CNN=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000814963237	643518573	/nfs/dbraw/zinc/51/85/73/643518573.db2.gz	GRZNTVNFEVOYMG-SSDOTTSWSA-N	0	1	239.231	0.605	20	30		BCEDMN
CN1CC(C(=O)N[C@H](C#N)C2CCCC2)=NC1=O	ZINC000921551305	643602446	/nfs/dbraw/zinc/60/24/46/643602446.db2.gz	PTWXYNLCQNWRNU-SECBINFHSA-N	0	1	248.286	0.938	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)F)C1	ZINC000970942349	643629623	/nfs/dbraw/zinc/62/96/23/643629623.db2.gz	OLVZPDNKEXKQSP-SNVBAGLBSA-N	0	1	226.295	0.900	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C(C)(F)F)C1	ZINC000970943065	643631722	/nfs/dbraw/zinc/63/17/22/643631722.db2.gz	WIHBWRIBNUNMTE-SECBINFHSA-N	0	1	230.258	0.808	20	30		BCEDMN
N#Cc1cc(CN[C@H]2CCCNC2=O)cs1	ZINC000921627675	643632771	/nfs/dbraw/zinc/63/27/71/643632771.db2.gz	KXGMLIZHFDQDHH-JTQLQIEISA-N	0	1	235.312	0.988	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccccn2)C1	ZINC000970957490	643636567	/nfs/dbraw/zinc/63/65/67/643636567.db2.gz	ZZSYMECHDKOEDB-GFCCVEGCSA-N	0	1	243.310	0.861	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cnccn2)C1	ZINC000970993740	643655200	/nfs/dbraw/zinc/65/52/00/643655200.db2.gz	KTUIVDFPMMMBKE-LLVKDONJSA-N	0	1	244.298	0.256	20	30		BCEDMN
Cc1cc(C(=O)N2CCC[C@@H](NCC#N)C2)n[nH]1	ZINC000998672892	643718407	/nfs/dbraw/zinc/71/84/07/643718407.db2.gz	RTIVFQLELGMSJZ-SNVBAGLBSA-N	0	1	247.302	0.436	20	30		BCEDMN
CC#CCN1CC=C(CNC(C)=O)CC1	ZINC001000353772	643778467	/nfs/dbraw/zinc/77/84/67/643778467.db2.gz	NPQCEQPVOJJWBS-UHFFFAOYSA-N	0	1	206.289	0.778	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)[C@@H]2CCOC2)CC1	ZINC001000496947	643786199	/nfs/dbraw/zinc/78/61/99/643786199.db2.gz	SDTKHZKOJHLMIU-CYBMUJFWSA-N	0	1	248.326	0.404	20	30		BCEDMN
C=CCOCCNC(=O)NC[C@H]1CCN1C	ZINC000921870779	643814161	/nfs/dbraw/zinc/81/41/61/643814161.db2.gz	WPGYCELESDMZHM-SNVBAGLBSA-N	0	1	227.308	0.192	20	30		BCEDMN
C#CCN1CCC(NC(=O)NC[C@H](C)C#N)CC1	ZINC000921880405	643815449	/nfs/dbraw/zinc/81/54/49/643815449.db2.gz	JQPQVHPXVYGEHY-LLVKDONJSA-N	0	1	248.330	0.543	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2ccn[nH]2)CC1	ZINC001002375791	643823351	/nfs/dbraw/zinc/82/33/51/643823351.db2.gz	MDBSOCDSGAKHQF-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2oncc2C)CC1	ZINC001003890845	643963087	/nfs/dbraw/zinc/96/30/87/643963087.db2.gz	YCJYDZLDLBPGME-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCC1(C#N)CC1	ZINC000922315865	643967162	/nfs/dbraw/zinc/96/71/62/643967162.db2.gz	URFUMENROJQHLM-VIFPVBQESA-N	0	1	222.292	0.293	20	30		BCEDMN
C#C[C@H](NC(=O)NC[C@H]1CCN1C)C(C)C	ZINC000922520261	644011149	/nfs/dbraw/zinc/01/11/49/644011149.db2.gz	KXHJUQKIOZFQQH-MNOVXSKESA-N	0	1	223.320	0.648	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H]2CCN2C)nn1	ZINC000922576759	644031108	/nfs/dbraw/zinc/03/11/08/644031108.db2.gz	WBJWHKXHJUCGDQ-LBPRGKRZSA-N	0	1	235.335	0.648	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCN1C	ZINC000922720623	644076407	/nfs/dbraw/zinc/07/64/07/644076407.db2.gz	ZOFBTJVKDUJFEA-AXFHLTTASA-N	0	1	239.319	0.333	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)C2CC2)CC1	ZINC001005032837	644160319	/nfs/dbraw/zinc/16/03/19/644160319.db2.gz	VLMDKVDYDMZRPN-UHFFFAOYSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2ncc[nH]2)CC1	ZINC001005368527	644176285	/nfs/dbraw/zinc/17/62/85/644176285.db2.gz	HOSKPAPYDDXZIZ-UHFFFAOYSA-N	0	1	246.314	0.579	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2cnco2)CC1	ZINC001005792356	644184985	/nfs/dbraw/zinc/18/49/85/644184985.db2.gz	ZSWFVKVKONOTNH-UHFFFAOYSA-N	0	1	247.298	0.844	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCC1(C#N)CCC1	ZINC000922921449	644190933	/nfs/dbraw/zinc/19/09/33/644190933.db2.gz	GXSZILQDZDLWBL-SNVBAGLBSA-N	0	1	236.319	0.684	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C	ZINC000193420547	644240448	/nfs/dbraw/zinc/24/04/48/644240448.db2.gz	BWNXNQKNDSUFAC-HRDYMLBCSA-N	0	1	224.260	0.114	20	30		BCEDMN
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CC1	ZINC000193464993	644245154	/nfs/dbraw/zinc/24/51/54/644245154.db2.gz	ZIDYHIYLULDXAS-IVZWLZJFSA-N	0	1	236.271	0.399	20	30		BCEDMN
C#CCN1CCC(NC(=O)N[C@@H](C)C#C)CC1	ZINC000923215875	644287976	/nfs/dbraw/zinc/28/79/76/644287976.db2.gz	RSTNTXISDFLBGQ-NSHDSACASA-N	0	1	233.315	0.405	20	30		BCEDMN
C#CCN1CCC(NC(=O)N[C@H](C)C#C)CC1	ZINC000923215874	644288271	/nfs/dbraw/zinc/28/82/71/644288271.db2.gz	RSTNTXISDFLBGQ-LLVKDONJSA-N	0	1	233.315	0.405	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NC[C@@H]1CCN1C	ZINC000923221595	644290066	/nfs/dbraw/zinc/29/00/66/644290066.db2.gz	HGNIJWWIUCREFC-MNOVXSKESA-N	0	1	223.320	0.792	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1cnn(C)c1	ZINC000929374088	644303903	/nfs/dbraw/zinc/30/39/03/644303903.db2.gz	ACUCOHLHWLTFJW-UHFFFAOYSA-N	0	1	235.291	0.107	20	30		BCEDMN
C#CCNCC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000082344090	644368788	/nfs/dbraw/zinc/36/87/88/644368788.db2.gz	VZSFJTTWXKHDRW-PHIMTYICSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCCN1CCN(C(=O)Cc2ncc[nH]2)CC1	ZINC000952408853	644385321	/nfs/dbraw/zinc/38/53/21/644385321.db2.gz	CGPFVWHOKRJNGK-UHFFFAOYSA-N	0	1	248.330	0.673	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)/C=C\C)C1	ZINC000923554760	644497649	/nfs/dbraw/zinc/49/76/49/644497649.db2.gz	OYKULUDBOFJEPW-UUSYTGMJSA-N	0	1	206.289	0.776	20	30		BCEDMN
CCNC(=O)CNCc1ccc(OC)c(C#N)c1	ZINC000087822986	644503569	/nfs/dbraw/zinc/50/35/69/644503569.db2.gz	MDGCVNNAVNNKLE-UHFFFAOYSA-N	0	1	247.298	0.793	20	30		BCEDMN
C=CCCN1CCN(C(=O)[C@@H]2CCOC2)CC1	ZINC000957056732	644680231	/nfs/dbraw/zinc/68/02/31/644680231.db2.gz	DSCHDOYZQNFKJZ-GFCCVEGCSA-N	0	1	238.331	0.743	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1cc(C)[nH]n1	ZINC000773599991	644694630	/nfs/dbraw/zinc/69/46/30/644694630.db2.gz	UTJUWOKXENNJGU-ZETCQYMHSA-N	0	1	206.249	0.539	20	30		BCEDMN
C#CCNC(=O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000775157325	644701628	/nfs/dbraw/zinc/70/16/28/644701628.db2.gz	RPSFLERDXDUMMZ-LLVKDONJSA-N	0	1	241.294	0.958	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccncc2)N1	ZINC000779798238	644715528	/nfs/dbraw/zinc/71/55/28/644715528.db2.gz	NPUPSLOQEKIXIA-MRVPVSSYSA-N	0	1	203.249	0.353	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cc(C#N)cs2)N1	ZINC000779797230	644715856	/nfs/dbraw/zinc/71/58/56/644715856.db2.gz	CKWIXIAGTOWCKZ-SSDOTTSWSA-N	0	1	233.300	0.891	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc3ncccn23)N1	ZINC000779798825	644717456	/nfs/dbraw/zinc/71/74/56/644717456.db2.gz	QGVLHRUZVMRJQB-QMMMGPOBSA-N	0	1	243.274	0.001	20	30		BCEDMN
C=CCCN1CCN(C(=O)Cn2ccnc2)CC1	ZINC000957892973	644757606	/nfs/dbraw/zinc/75/76/06/644757606.db2.gz	CSDPEMHAYYGXIZ-UHFFFAOYSA-N	0	1	248.330	0.603	20	30		BCEDMN
C#CCN1C[C@H](O)[C@H](CNC(=O)C2=CCCC2)C1	ZINC000957964238	644763309	/nfs/dbraw/zinc/76/33/09/644763309.db2.gz	AUYZJSADRBNQSG-OLZOCXBDSA-N	0	1	248.326	0.139	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1	ZINC000958078439	644774956	/nfs/dbraw/zinc/77/49/56/644774956.db2.gz	BENLNLJLGDFAPC-ITGUQSILSA-N	0	1	241.294	0.375	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000786448519	644775100	/nfs/dbraw/zinc/77/51/00/644775100.db2.gz	VKNPHMUWXSGFAI-HLTSFMKQSA-N	0	1	208.261	0.876	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1	ZINC000958230837	644782191	/nfs/dbraw/zinc/78/21/91/644782191.db2.gz	XFZMUCHPHFRBCW-ITGUQSILSA-N	0	1	244.294	0.963	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1	ZINC000958221711	644782765	/nfs/dbraw/zinc/78/27/65/644782765.db2.gz	WCRFNMPLHIWROF-PJXYFTJBSA-N	0	1	243.310	0.698	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1	ZINC000958233990	644783861	/nfs/dbraw/zinc/78/38/61/644783861.db2.gz	LWLGQABLMSLWME-GDNZZTSVSA-N	0	1	230.267	0.573	20	30		BCEDMN
CCc1cc(CNC(=O)NCCC#N)n[nH]1	ZINC000787358489	644783983	/nfs/dbraw/zinc/78/39/83/644783983.db2.gz	HGHBVXVCBQYURL-UHFFFAOYSA-N	0	1	221.264	0.685	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1	ZINC000958446111	644796263	/nfs/dbraw/zinc/79/62/63/644796263.db2.gz	YRNYNBXPPOUUDX-NMKXLXIOSA-N	0	1	248.326	0.093	20	30		BCEDMN
N=C(N)NN=Cc1cnn(-c2ccccc2)c1	ZINC000252453460	644852671	/nfs/dbraw/zinc/85/26/71/644852671.db2.gz	KVOFIJXLRLLWRP-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCCN1CCC1	ZINC000807137928	644859983	/nfs/dbraw/zinc/85/99/83/644859983.db2.gz	HXPCYPJSQKHWMU-UHFFFAOYSA-N	0	1	218.300	0.471	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cc(C#N)ccn2)=NO1	ZINC000807171411	644861252	/nfs/dbraw/zinc/86/12/52/644861252.db2.gz	RUYOOLHKHLMKTP-ZETCQYMHSA-N	0	1	230.227	0.805	20	30		BCEDMN
COC(=O)C1CCN(CCO[C@@H](C)C#N)CC1	ZINC000304224988	644878982	/nfs/dbraw/zinc/87/89/82/644878982.db2.gz	ITSMWZSWIBLEDQ-JTQLQIEISA-N	0	1	240.303	0.800	20	30		BCEDMN
COc1cccc(CN=Nc2cnnn2C)n1	ZINC000814983672	644947173	/nfs/dbraw/zinc/94/71/73/644947173.db2.gz	MAZGAWBSKPUDHP-UHFFFAOYSA-N	0	1	232.247	0.665	20	30		BCEDMN
Cc1ccc(CN=Nc2cnnn2C)nc1	ZINC000814983605	644947177	/nfs/dbraw/zinc/94/71/77/644947177.db2.gz	NLUJLBPOHDAVEB-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
COC(=O)c1ccc(CN=Nc2cnnn2C)[nH]1	ZINC000814984368	644949729	/nfs/dbraw/zinc/94/97/29/644949729.db2.gz	YEYUXDVJTPHAAT-UHFFFAOYSA-N	0	1	248.246	0.376	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000816669666	644964821	/nfs/dbraw/zinc/96/48/21/644964821.db2.gz	YLJMUUVOJYYQSC-PWSUYJOCSA-N	0	1	236.315	0.114	20	30		BCEDMN
CCCCOC[C@@H](O)CNCCC#N	ZINC000819270066	645009321	/nfs/dbraw/zinc/00/93/21/645009321.db2.gz	SHTYJUFPXICEDG-JTQLQIEISA-N	0	1	200.282	0.667	20	30		BCEDMN
C[C@H](C#N)OCCN1CC[C@@](O)(CC#N)C1	ZINC000829998487	645112917	/nfs/dbraw/zinc/11/29/17/645112917.db2.gz	MKUBPBZBXYQFSC-MNOVXSKESA-N	0	1	223.276	0.266	20	30		BCEDMN
C#CC1CCN(CC(=O)NC2CC2)CC1	ZINC000830300883	645119194	/nfs/dbraw/zinc/11/91/94/645119194.db2.gz	BYSPBSZJHKGCFO-UHFFFAOYSA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CC1CCN(Cc2n[nH]c(C)n2)CC1	ZINC000830351796	645122022	/nfs/dbraw/zinc/12/20/22/645122022.db2.gz	WUYKSNGAZBYFQN-UHFFFAOYSA-N	0	1	204.277	0.958	20	30		BCEDMN
Cc1ncsc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834521346	645143124	/nfs/dbraw/zinc/14/31/24/645143124.db2.gz	GVTZNPVVDFYISS-HTQZYQBOSA-N	0	1	236.300	0.293	20	30		BCEDMN
Cc1ncccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834484265	645143241	/nfs/dbraw/zinc/14/32/41/645143241.db2.gz	GMPSYEZJJXRLQS-GXSJLCMTSA-N	0	1	230.271	0.231	20	30		BCEDMN
CC(C)CNC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000841506951	645216952	/nfs/dbraw/zinc/21/69/52/645216952.db2.gz	MJHDNCMUPMFXRT-RKDXNWHRSA-N	0	1	210.281	0.053	20	30		BCEDMN
C=CCC[C@@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926545287	645268943	/nfs/dbraw/zinc/26/89/43/645268943.db2.gz	JGAUWBPWUQPABV-ZJUUUORDSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCn1cc(C(=O)NC2=NO[C@@H](C)C2)nn1	ZINC000843841000	645312418	/nfs/dbraw/zinc/31/24/18/645312418.db2.gz	UJTSMRQTWNUREF-ZETCQYMHSA-N	0	1	235.247	0.316	20	30		BCEDMN
N#CCCCCC(=O)OCc1c[nH]nn1	ZINC000847708132	645432655	/nfs/dbraw/zinc/43/26/55/645432655.db2.gz	SBJUDLQBBSIAKP-UHFFFAOYSA-N	0	1	208.221	0.932	20	30		BCEDMN
C[C@@H]1OC[C@@H](N2CCN(CCC#N)CC2)[C@@H]1C	ZINC000926808447	645438959	/nfs/dbraw/zinc/43/89/59/645438959.db2.gz	QHOPEVOGSVSYFR-FRRDWIJNSA-N	0	1	237.347	0.941	20	30		BCEDMN
C=CCC(F)(F)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000857291364	645546677	/nfs/dbraw/zinc/54/66/77/645546677.db2.gz	AUTBMYWCCPZEEO-UHFFFAOYSA-N	0	1	247.201	0.945	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927696993	645639836	/nfs/dbraw/zinc/63/98/36/645639836.db2.gz	HEEHRFMUDQWOMG-CYBMUJFWSA-N	0	1	249.314	0.701	20	30		BCEDMN
C[C@@H](C#N)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927702787	645640826	/nfs/dbraw/zinc/64/08/26/645640826.db2.gz	BAPMOCKJRLLQBC-VIFPVBQESA-N	0	1	232.287	0.923	20	30		BCEDMN
Cn1ccc(CNC[C@H](O)CC2(C#N)CC2)n1	ZINC000863553643	645704210	/nfs/dbraw/zinc/70/42/10/645704210.db2.gz	HBDJLNJLVWHEPM-LLVKDONJSA-N	0	1	234.303	0.564	20	30		BCEDMN
C[C@@H](C(=O)N1CCC[C@H](C#N)C1)N(C)C	ZINC000928211576	645711634	/nfs/dbraw/zinc/71/16/34/645711634.db2.gz	KVUBOPGXXKAZPY-VHSXEESVSA-N	0	1	209.293	0.699	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc(N(C)C)nc1	ZINC000883124060	645848963	/nfs/dbraw/zinc/84/89/63/645848963.db2.gz	UTSKRMLZGZPXHR-LLVKDONJSA-N	0	1	234.303	0.016	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cc(F)c[nH]2)CC1	ZINC000928651102	645852162	/nfs/dbraw/zinc/85/21/62/645852162.db2.gz	MPJWEDLRDPPHGN-UHFFFAOYSA-N	0	1	249.289	0.981	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H](O)/C=C/C)CC1	ZINC000928649256	645852246	/nfs/dbraw/zinc/85/22/46/645852246.db2.gz	WUYVVPLIPSKIJD-OGOUPESXSA-N	0	1	236.315	0.137	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](CC)CO)CC1	ZINC000928649415	645852274	/nfs/dbraw/zinc/85/22/74/645852274.db2.gz	KMHDKXNKARYEND-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](O)/C=C/C)CC1	ZINC000928649257	645852919	/nfs/dbraw/zinc/85/29/19/645852919.db2.gz	WUYVVPLIPSKIJD-PYEVWLCESA-N	0	1	236.315	0.137	20	30		BCEDMN
N#CC[C@H](NC(=O)c1cnn[nH]1)C(F)(F)F	ZINC000928815549	645862242	/nfs/dbraw/zinc/86/22/42/645862242.db2.gz	RZOWRONTBICCSQ-YFKPBYRVSA-N	0	1	233.153	0.379	20	30		BCEDMN
CN(C)CC(=O)NCc1nc(C#N)cs1	ZINC000887982961	645906541	/nfs/dbraw/zinc/90/65/41/645906541.db2.gz	GPPDMHAWKUTDMK-UHFFFAOYSA-N	0	1	224.289	0.193	20	30		BCEDMN
C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CO	ZINC000929363810	646094018	/nfs/dbraw/zinc/09/40/18/646094018.db2.gz	KOHVWRUCEARLPZ-CQSZACIVSA-N	0	1	246.310	0.899	20	30		BCEDMN
C=C(CC)CN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O	ZINC000924917205	646132124	/nfs/dbraw/zinc/13/21/24/646132124.db2.gz	MCNSNNAKMDHONI-JTQLQIEISA-N	0	1	248.286	0.839	20	30		BCEDMN
CN1C[C@H](O)C[C@@H]1CNC(=O)C#CC(C)(C)C	ZINC000924978866	646147174	/nfs/dbraw/zinc/14/71/74/646147174.db2.gz	LLXLJVLJJINGDX-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
C=CCC[C@H]1NC(=O)N(C[C@@H]2CCN2C)C1=O	ZINC000925196515	646206390	/nfs/dbraw/zinc/20/63/90/646206390.db2.gz	NLFDCLIAFJOIST-VHSXEESVSA-N	0	1	237.303	0.577	20	30		BCEDMN
C=C(Cl)CNC(=O)NC[C@@H]1CCN1C	ZINC000925405672	646261919	/nfs/dbraw/zinc/26/19/19/646261919.db2.gz	GYUSYZKGCFQXQF-QMMMGPOBSA-N	0	1	217.700	0.742	20	30		BCEDMN
C#CC1(NC(=O)NC[C@@H]2CCN2C)CCCC1	ZINC000925433817	646282842	/nfs/dbraw/zinc/28/28/42/646282842.db2.gz	XMCFSALQJVFENU-NSHDSACASA-N	0	1	235.331	0.936	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCc2cn[nH]c2C1	ZINC000930068155	646417530	/nfs/dbraw/zinc/41/75/30/646417530.db2.gz	GIHRMCIMQJHZEA-NSHDSACASA-N	0	1	207.277	0.705	20	30		BCEDMN
N#CCCN1CCN(CCOC2CC2)CC1	ZINC000930116653	646440002	/nfs/dbraw/zinc/44/00/02/646440002.db2.gz	NPULDVIWFXKKPG-UHFFFAOYSA-N	0	1	223.320	0.697	20	30		BCEDMN
CC[C@H](CO)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000930113215	646441618	/nfs/dbraw/zinc/44/16/18/646441618.db2.gz	BVKUKYYLDULGHW-CHWSQXEVSA-N	0	1	239.363	0.923	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN2C(=O)CC[C@@H]2C1	ZINC000930142381	646455149	/nfs/dbraw/zinc/45/51/49/646455149.db2.gz	KHHMMHCFGBECCY-MNOVXSKESA-N	0	1	224.304	0.230	20	30		BCEDMN
C[C@@H]1[C@@H](C)[N@H+](C[C@H](O)CC#N)CCN1C	ZINC000930178419	646481066	/nfs/dbraw/zinc/48/10/66/646481066.db2.gz	YQPFAPMMMTXWDR-GMTAPVOTSA-N	0	1	211.309	0.285	20	30		BCEDMN
C[C@@]1(O)CCN(Cc2cncc(C#N)c2)C1	ZINC000721539674	711620734	/nfs/dbraw/zinc/62/07/34/711620734.db2.gz	IDDTYFCGRGRQON-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C[C@H]1CN(Cc2cncc(C#N)c2)C[C@@H]1O	ZINC000721556818	711624911	/nfs/dbraw/zinc/62/49/11/711624911.db2.gz	MQNMNDIAQUFDMO-CABZTGNLSA-N	0	1	217.272	0.766	20	30		BCEDMN
C=CC[N@@H+](CCO[C@@H]1CCOC1)CC(=O)[O-]	ZINC000724929924	711629898	/nfs/dbraw/zinc/62/98/98/711629898.db2.gz	FMZOEPGZTISQPY-SNVBAGLBSA-N	0	1	229.276	0.365	20	30		BCEDMN
C=CC[N@H+](CCO[C@@H]1CCOC1)CC(=O)[O-]	ZINC000724929924	711629900	/nfs/dbraw/zinc/62/99/00/711629900.db2.gz	FMZOEPGZTISQPY-SNVBAGLBSA-N	0	1	229.276	0.365	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@@H](C)CO2)C1	ZINC001031858155	711893615	/nfs/dbraw/zinc/89/36/15/711893615.db2.gz	QJRRZCWQLIGJIN-ZYHUDNBSSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)C2CC2)C1	ZINC001032854205	711963399	/nfs/dbraw/zinc/96/33/99/711963399.db2.gz	RDBSQBRUPAOCSX-LLVKDONJSA-N	0	1	206.289	0.562	20	30		BCEDMN
CC#CCN1CC[C@H](N(C)C(=O)C2CC2)C1	ZINC001032854601	711963865	/nfs/dbraw/zinc/96/38/65/711963865.db2.gz	UWWNHJDTGSFOAT-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)CC2CC2)C1	ZINC001032859735	711964072	/nfs/dbraw/zinc/96/40/72/711964072.db2.gz	YYJUGFBNTNMLGM-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1	ZINC000700608355	712001337	/nfs/dbraw/zinc/00/13/37/712001337.db2.gz	GDNYLIOLNQTWAN-SECBINFHSA-N	0	1	203.245	0.895	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000705371233	712130732	/nfs/dbraw/zinc/13/07/32/712130732.db2.gz	LLZGUCSJDITNQT-VHSXEESVSA-N	0	1	207.277	0.453	20	30		BCEDMN
C#CCCS(=O)(=O)NC[C@@H](C)N(C)C1CC1	ZINC000711064905	712278128	/nfs/dbraw/zinc/27/81/28/712278128.db2.gz	HSQQDXBZZGEVTR-SNVBAGLBSA-N	0	1	244.360	0.412	20	30		BCEDMN
COCC#CCN1CCC[C@H](C(=O)OC)C1	ZINC000611194810	712345429	/nfs/dbraw/zinc/34/54/29/712345429.db2.gz	QDUMIWWLJFOUOJ-NSHDSACASA-N	0	1	225.288	0.521	20	30		BCEDMN
CN1CC[C@@H]1CNc1ccc(C#N)nn1	ZINC000712590302	712435489	/nfs/dbraw/zinc/43/54/89/712435489.db2.gz	CPVGNBNLLGZOGN-SECBINFHSA-N	0	1	203.249	0.464	20	30		BCEDMN
CCN1CC[C@H]1CNc1ccnc(C#N)n1	ZINC000712571015	712447428	/nfs/dbraw/zinc/44/74/28/712447428.db2.gz	UJYYRXCYFPARHO-VIFPVBQESA-N	0	1	217.276	0.276	20	30		BCEDMN
C=CC[C@H](C)[N@@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715015063	712503876	/nfs/dbraw/zinc/50/38/76/712503876.db2.gz	JRCGVKKVJZKVLU-VIFPVBQESA-N	0	1	229.276	0.901	20	30		BCEDMN
C=CC[C@@H](CO)N[C@H](C)c1cn(C)nn1	ZINC000715942481	712544559	/nfs/dbraw/zinc/54/45/59/712544559.db2.gz	JOBVTZIPROVGFD-BDAKNGLRSA-N	0	1	210.281	0.403	20	30		BCEDMN
C#C[C@H](NS(=O)(=O)c1ncc[nH]1)C(C)C	ZINC000379952806	712636183	/nfs/dbraw/zinc/63/61/83/712636183.db2.gz	FOUKYWCYONEQGR-QMMMGPOBSA-N	0	1	227.289	0.346	20	30		BCEDMN
OCC#CCNC[C@H](O)c1ccc(F)c(F)c1	ZINC000717436965	712657992	/nfs/dbraw/zinc/65/79/92/712657992.db2.gz	BOWNHIFAKNAXAV-LBPRGKRZSA-N	0	1	241.237	0.584	20	30		BCEDMN
OCC#CCNC[C@H](O)c1ccccc1	ZINC000717531648	712660460	/nfs/dbraw/zinc/66/04/60/712660460.db2.gz	HJMJZUBLJVXCQO-LBPRGKRZSA-N	0	1	205.257	0.305	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(OC)cc(C)n1	ZINC000717788093	712677684	/nfs/dbraw/zinc/67/76/84/712677684.db2.gz	ROTISTNVBNLFSW-LLVKDONJSA-N	0	1	234.299	0.872	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccc(F)c(F)c1	ZINC000718137598	712747583	/nfs/dbraw/zinc/74/75/83/712747583.db2.gz	RQRMUFGBNYELTJ-BXKDBHETSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cccnc1	ZINC001038014297	712898403	/nfs/dbraw/zinc/89/84/03/712898403.db2.gz	ASRGFSPLDGYKHV-ZDUSSCGKSA-N	0	1	243.310	0.909	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC1(Cl)Cl	ZINC000381481149	710643769	/nfs/dbraw/zinc/64/37/69/710643769.db2.gz	DJDMOEIFKJSCBE-QYNIQEEDSA-N	0	1	248.113	0.408	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cnccn1	ZINC001038020132	712898697	/nfs/dbraw/zinc/89/86/97/712898697.db2.gz	FMJDAWPGFNSROD-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
CCC(C)(C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000381554771	710654691	/nfs/dbraw/zinc/65/46/91/710654691.db2.gz	OFPBPLWOLKBJCW-RKDXNWHRSA-N	0	1	209.293	0.650	20	30		BCEDMN
CCCSCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000381622208	710663113	/nfs/dbraw/zinc/66/31/13/710663113.db2.gz	CYDUWIXDWIQQAJ-DTWKUNHWSA-N	0	1	227.333	0.357	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ncn(C)n1	ZINC001038224025	710681195	/nfs/dbraw/zinc/68/11/95/710681195.db2.gz	FBTPXZRWTPLSJN-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001038272953	710682815	/nfs/dbraw/zinc/68/28/15/710682815.db2.gz	ZGCAUDURQASLPV-OBJOEFQTSA-N	0	1	248.326	0.237	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cncn1C	ZINC001038478147	710688694	/nfs/dbraw/zinc/68/86/94/710688694.db2.gz	SRYHIOQZWIBQFZ-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ccnnc1	ZINC001038732047	710701476	/nfs/dbraw/zinc/70/14/76/710701476.db2.gz	ISNHMFHMUOSTBL-LBPRGKRZSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#C[C@@H](C)NCc1cnc2n1CCOC2	ZINC000722844620	710722402	/nfs/dbraw/zinc/72/24/02/710722402.db2.gz	MREVMJLHYBHMSZ-SECBINFHSA-N	0	1	205.261	0.525	20	30		BCEDMN
C=CCCN1CC(N(C)C(=O)Cc2ncc[nH]2)C1	ZINC001044093515	710820392	/nfs/dbraw/zinc/82/03/92/710820392.db2.gz	WXWGCSYFEHBHNJ-UHFFFAOYSA-N	0	1	248.330	0.671	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1	ZINC001046123132	710849747	/nfs/dbraw/zinc/84/97/47/710849747.db2.gz	QGXWYPGLDKUNAF-AAEUAGOBSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1	ZINC001046124594	710850265	/nfs/dbraw/zinc/85/02/65/710850265.db2.gz	XLWKBWRGRPTYIZ-AAEUAGOBSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1	ZINC001046195103	710853630	/nfs/dbraw/zinc/85/36/30/710853630.db2.gz	KUUREKSINQPQOO-CYBMUJFWSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1	ZINC001046239861	710856835	/nfs/dbraw/zinc/85/68/35/710856835.db2.gz	UDCQHWNEKCKWDB-CQSZACIVSA-N	0	1	245.326	0.853	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cn(C)cn2)C1	ZINC001046239010	710857040	/nfs/dbraw/zinc/85/70/40/710857040.db2.gz	MVDIMDDISNNMHR-ZDUSSCGKSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2ncn(C)n2)C1	ZINC001046286253	710858818	/nfs/dbraw/zinc/85/88/18/710858818.db2.gz	UNSDXUZFELFYFZ-LBPRGKRZSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2c[nH]nc2C)C1	ZINC001046526036	710862161	/nfs/dbraw/zinc/86/21/61/710862161.db2.gz	NKCJSNADSQNBJP-ZDUSSCGKSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001046549657	710862241	/nfs/dbraw/zinc/86/22/41/710862241.db2.gz	IZZBWDOBYVQRAM-GVXVVHGQSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1	ZINC001047271425	710869778	/nfs/dbraw/zinc/86/97/78/710869778.db2.gz	MLOPHVYTVXWDPW-IUCAKERBSA-N	0	1	248.273	0.331	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CN(C(=O)COC)C[C@H]1C	ZINC001054304198	710927110	/nfs/dbraw/zinc/92/71/10/710927110.db2.gz	WPNOJHLUVPVLIX-PSASIEDQSA-N	0	1	246.738	0.822	20	30		BCEDMN
C#CCCN1CCN([C@H]2CCN(C(C)=O)C2)CC1	ZINC001051963575	710960368	/nfs/dbraw/zinc/96/03/68/710960368.db2.gz	XMFGNAGOYCVBHR-AWEZNQCLSA-N	0	1	249.358	0.248	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](SC)C1	ZINC000382994324	710976626	/nfs/dbraw/zinc/97/66/26/710976626.db2.gz	ZMQMXCWZPYUFJH-VIFPVBQESA-N	0	1	212.318	0.173	20	30		BCEDMN
CCCN(CCO[C@H](C)C#N)CC(=O)N(C)C	ZINC000384139216	710990594	/nfs/dbraw/zinc/99/05/94/710990594.db2.gz	MKCWPNPJBMNTEU-LLVKDONJSA-N	0	1	241.335	0.715	20	30		BCEDMN
C=C(C)CN1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1	ZINC001069884424	711077706	/nfs/dbraw/zinc/07/77/06/711077706.db2.gz	KCGMUJGSYGNAHY-NEPJUHHUSA-N	0	1	249.318	0.216	20	30		BCEDMN
C#C[C@H](C)NCc1cnn(CCOC)c1	ZINC000393630158	711167263	/nfs/dbraw/zinc/16/72/63/711167263.db2.gz	IICJAPIIISZQRO-JTQLQIEISA-N	0	1	207.277	0.641	20	30		BCEDMN
C=CCNC(=O)CN[C@@H]1C[C@@H](OCC)[C@@H]1OC	ZINC000393863171	711178382	/nfs/dbraw/zinc/17/83/82/711178382.db2.gz	LHYJMVCXPNWLES-CKYFFXLPSA-N	0	1	242.319	0.071	20	30		BCEDMN
C#CCN1C[C@@H](NC(=O)CC)CC[C@@H]1C	ZINC001071278760	711183176	/nfs/dbraw/zinc/18/31/76/711183176.db2.gz	IWFUULATZWCZGH-QWRGUYRKSA-N	0	1	208.305	0.999	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CC2(C1)CCN(CCF)C2	ZINC001072553075	711381406	/nfs/dbraw/zinc/38/14/06/711381406.db2.gz	VVDNXYPPFPMEOJ-SNVBAGLBSA-N	0	1	239.294	0.650	20	30		BCEDMN
C#CCN1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1	ZINC001042492864	710787291	/nfs/dbraw/zinc/78/72/91/710787291.db2.gz	ASWCDNDEDGJWLF-UHFFFAOYSA-N	0	1	246.314	0.362	20	30		BCEDMN
C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N	ZINC001049382195	710900375	/nfs/dbraw/zinc/90/03/75/710900375.db2.gz	NCTNJKYJENUUPC-RWMBFGLXSA-N	0	1	245.326	0.845	20	30		BCEDMN
C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N	ZINC001049382196	710900685	/nfs/dbraw/zinc/90/06/85/710900685.db2.gz	NCTNJKYJENUUPC-YNEHKIRRSA-N	0	1	245.326	0.845	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H](NC(=O)c2ncn[n-]2)CC[C@@H]1C	ZINC001071908056	711208069	/nfs/dbraw/zinc/20/80/69/711208069.db2.gz	LLWLBQVHIQNXBI-UWVGGRQHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)CSC)C2)C1	ZINC001072443387	711372716	/nfs/dbraw/zinc/37/27/16/711372716.db2.gz	OWAYPBLGFLIJLF-UHFFFAOYSA-N	0	1	238.356	0.517	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1	ZINC001072463473	711375748	/nfs/dbraw/zinc/37/57/48/711375748.db2.gz	HWSJKCBJFKJGAP-UHFFFAOYSA-N	0	1	243.310	0.796	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1	ZINC001072530045	711379454	/nfs/dbraw/zinc/37/94/54/711379454.db2.gz	HKOXAZSGGJHZRP-LBPRGKRZSA-N	0	1	248.326	0.190	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1	ZINC000971024957	711494853	/nfs/dbraw/zinc/49/48/53/711494853.db2.gz	KZDUEHMPQWCYHE-NEPJUHHUSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCNC(=O)CN(CC#C)C(C)(C)C	ZINC000723024711	711495748	/nfs/dbraw/zinc/49/57/48/711495748.db2.gz	BNNKMALZYUPHPI-UHFFFAOYSA-N	0	1	206.289	0.470	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCO1	ZINC001038041389	711565808	/nfs/dbraw/zinc/56/58/08/711565808.db2.gz	RZLFHFUPAYFZOW-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCn1cnnn1	ZINC000934520041	711591535	/nfs/dbraw/zinc/59/15/35/711591535.db2.gz	WFAHRAKHLYIZHT-SNVBAGLBSA-N	0	1	205.265	0.161	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H]1C[C@H]2COC[C@@H]2O1	ZINC000724622626	711600621	/nfs/dbraw/zinc/60/06/21/711600621.db2.gz	JFCXJRISDCJCKH-RCWTZXSCSA-N	0	1	210.277	0.682	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1	ZINC001075464170	711618329	/nfs/dbraw/zinc/61/83/29/711618329.db2.gz	PVEOHPMDYGXAJW-WDEREUQCSA-N	0	1	206.289	0.562	20	30		BCEDMN
C[C@@H]1C[C@@H](O)CN1Cc1cncc(C#N)c1	ZINC000721556311	711624315	/nfs/dbraw/zinc/62/43/15/711624315.db2.gz	KSAZQLFDYYTXTR-BXKDBHETSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@@H]1CN(Cc2cncc(C#N)c2)C[C@@H]1O	ZINC000721556821	711624734	/nfs/dbraw/zinc/62/47/34/711624734.db2.gz	MQNMNDIAQUFDMO-SKDRFNHKSA-N	0	1	217.272	0.766	20	30		BCEDMN
C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1	ZINC000972581348	711636154	/nfs/dbraw/zinc/63/61/54/711636154.db2.gz	LQZDJSTVXZVTFH-SECBINFHSA-N	0	1	236.275	0.402	20	30		BCEDMN
C#CCN1CCC[C@H](CNC(=O)c2cnco2)C1	ZINC001023515500	711636373	/nfs/dbraw/zinc/63/63/73/711636373.db2.gz	BTDJHGCCONSVNT-LLVKDONJSA-N	0	1	247.298	0.750	20	30		BCEDMN
CCCC(=O)C(C#N)C(=O)NCCCOC	ZINC000125096903	711716580	/nfs/dbraw/zinc/71/65/80/711716580.db2.gz	JDKSSWHEPBWFEY-VIFPVBQESA-N	0	1	226.276	0.648	20	30		BCEDMN
C[C@@H](CC(C)(C)C#N)NC1(C(N)=O)CC1	ZINC000893554557	711735890	/nfs/dbraw/zinc/73/58/90/711735890.db2.gz	XOFAUFAMIMFCCY-QMMMGPOBSA-N	0	1	209.293	0.922	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ncccn1	ZINC001038833353	711747950	/nfs/dbraw/zinc/74/79/50/711747950.db2.gz	NNGDQJDONIUIRY-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ccnn1C	ZINC001038103665	711781596	/nfs/dbraw/zinc/78/15/96/711781596.db2.gz	OCQMCIQMEVXMND-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
CN(C)CC#CCNC(=O)/C=C\c1ccco1	ZINC000913514409	711823455	/nfs/dbraw/zinc/82/34/55/711823455.db2.gz	OXSJNIHGPFYJSR-FPLPWBNLSA-N	0	1	232.283	0.974	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cnc(C2CC2)o1	ZINC000913524724	711823496	/nfs/dbraw/zinc/82/34/96/711823496.db2.gz	ZOGYAGPDCIMCHA-UHFFFAOYSA-N	0	1	247.298	0.847	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCCF	ZINC000913524665	711823498	/nfs/dbraw/zinc/82/34/98/711823498.db2.gz	XFZNRHXETOEIQK-UHFFFAOYSA-N	0	1	200.257	0.417	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1coc(C2CC2)n1	ZINC000913520965	711823922	/nfs/dbraw/zinc/82/39/22/711823922.db2.gz	GLPBVTFPQFGXNW-UHFFFAOYSA-N	0	1	247.298	0.847	20	30		BCEDMN
CCn1cc(CC(=O)NCC#CCN(C)C)cn1	ZINC000913521050	711824045	/nfs/dbraw/zinc/82/40/45/711824045.db2.gz	JLLOTHRLLLHQIJ-UHFFFAOYSA-N	0	1	248.330	0.127	20	30		BCEDMN
CO[C@](C)(C(=O)NCC#CCN(C)C)C1CC1	ZINC000913522334	711824165	/nfs/dbraw/zinc/82/41/65/711824165.db2.gz	FFMWUCSHMXLXCT-ZDUSSCGKSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCNCC(=O)NCCc1cccc(OC)c1	ZINC000227665450	711832528	/nfs/dbraw/zinc/83/25/28/711832528.db2.gz	HOKTUTWULJGLLH-UHFFFAOYSA-N	0	1	246.310	0.577	20	30		BCEDMN
C#CCOc1ccccc1CN[C@@H](CO)COC	ZINC000229072743	711837368	/nfs/dbraw/zinc/83/73/68/711837368.db2.gz	NPZFTKAXJJPGBX-ZDUSSCGKSA-N	0	1	249.310	0.796	20	30		BCEDMN
C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCCN1C	ZINC001038094906	711840630	/nfs/dbraw/zinc/84/06/30/711840630.db2.gz	IKOOGELUCGNYBW-RYUDHWBXSA-N	0	1	237.347	0.457	20	30		BCEDMN
CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1	ZINC001032361134	711914145	/nfs/dbraw/zinc/91/41/45/711914145.db2.gz	FCSVWSHXYVUMQN-QWRGUYRKSA-N	0	1	244.298	0.805	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1	ZINC001078052712	711939636	/nfs/dbraw/zinc/93/96/36/711939636.db2.gz	UJZLHLDOBKIWLG-GHMZBOCLSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ccn[nH]1	ZINC001038079364	711946178	/nfs/dbraw/zinc/94/61/78/711946178.db2.gz	VMFVLXRCKXFXIE-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cc(C)n[nH]1	ZINC001038090509	711958986	/nfs/dbraw/zinc/95/89/86/711958986.db2.gz	OQONBYCAXSFFKP-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1	ZINC001032944500	711968897	/nfs/dbraw/zinc/96/88/97/711968897.db2.gz	YPUMARQZLOWBGO-VXGBXAGGSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCCN1CC[C@H](N(C)C(=O)c2ccon2)C1	ZINC001032936250	711968910	/nfs/dbraw/zinc/96/89/10/711968910.db2.gz	WGYGRQMLEXIBAE-NSHDSACASA-N	0	1	247.298	0.844	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1	ZINC001033062251	711973478	/nfs/dbraw/zinc/97/34/78/711973478.db2.gz	CINURZMHAOIGPB-SNVBAGLBSA-N	0	1	249.318	0.147	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)C1	ZINC001033450123	711992222	/nfs/dbraw/zinc/99/22/22/711992222.db2.gz	RDDGBMLNESBPHZ-NEPJUHHUSA-N	0	1	232.327	0.952	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ncccn2)C1	ZINC001033519417	711998996	/nfs/dbraw/zinc/99/89/96/711998996.db2.gz	MASVVZLNLKKPIC-NSHDSACASA-N	0	1	246.314	0.809	20	30		BCEDMN
C=CCN1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1	ZINC001033993144	712031880	/nfs/dbraw/zinc/03/18/80/712031880.db2.gz	PNDDIVKLWPGHRW-JTQLQIEISA-N	0	1	249.318	0.527	20	30		BCEDMN
C#CCN1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1	ZINC001034109146	712040917	/nfs/dbraw/zinc/04/09/17/712040917.db2.gz	ITJJFQKTGBNHTP-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1	ZINC001034121154	712040996	/nfs/dbraw/zinc/04/09/96/712040996.db2.gz	ITFFNJBVCJASNN-GFCCVEGCSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCCC[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001034109147	712041047	/nfs/dbraw/zinc/04/10/47/712041047.db2.gz	ITJJFQKTGBNHTP-NSHDSACASA-N	0	1	246.314	0.627	20	30		BCEDMN
N#CC1(C(=O)N2CC[C@@H](N3CCC3)C2)CCC1	ZINC000702295099	712042878	/nfs/dbraw/zinc/04/28/78/712042878.db2.gz	FOSMENOGTKWLQC-LLVKDONJSA-N	0	1	233.315	0.987	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncn[n-]2)C1	ZINC001034444281	712064107	/nfs/dbraw/zinc/06/41/07/712064107.db2.gz	OURSKUZRORZEGM-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
C#CCCN(CCOC)C(=O)CN(C)C	ZINC000704770840	712115747	/nfs/dbraw/zinc/11/57/47/712115747.db2.gz	ODQHIHJCDLIKKG-UHFFFAOYSA-N	0	1	212.293	0.046	20	30		BCEDMN
C#CC1(O)CCN(Cc2cnn(C)c2C)CC1	ZINC000708103792	712182085	/nfs/dbraw/zinc/18/20/85/712182085.db2.gz	JLZGZDXQSHCRLQ-UHFFFAOYSA-N	0	1	233.315	0.689	20	30		BCEDMN
C#CC1(O)CCN([C@@H](C)C(=O)NCCC)CC1	ZINC000708142394	712182976	/nfs/dbraw/zinc/18/29/76/712182976.db2.gz	GBPJKUPGESPKMH-NSHDSACASA-N	0	1	238.331	0.361	20	30		BCEDMN
CC[C@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395045	712192569	/nfs/dbraw/zinc/19/25/69/712192569.db2.gz	XDVPKUXBIZJDFT-ZCFIWIBFSA-N	0	1	208.221	0.158	20	30		BCEDMN
CCN(CCC#N)C(=O)C1=NC(=O)N(C)C1	ZINC000708395921	712192676	/nfs/dbraw/zinc/19/26/76/712192676.db2.gz	LMFUEKLXMVVFFR-UHFFFAOYSA-N	0	1	222.248	0.501	20	30		BCEDMN
C#CCCCS(=O)(=O)NCC1(N(C)C)CC1	ZINC000710187918	712247773	/nfs/dbraw/zinc/24/77/73/712247773.db2.gz	ZPOMHALMGJMUSG-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCCCS(=O)(=O)NCCN1CCCC1	ZINC000710204476	712248370	/nfs/dbraw/zinc/24/83/70/712248370.db2.gz	HUQHFDYPCRDAOW-UHFFFAOYSA-N	0	1	244.360	0.415	20	30		BCEDMN
C=C[C@@H](NC[C@@H]1CCN1CC)C(=O)OC	ZINC000710308991	712251029	/nfs/dbraw/zinc/25/10/29/712251029.db2.gz	HPLSZTDVQXYUEA-VHSXEESVSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCCS(=O)(=O)NCc1cn[nH]c1C	ZINC000711106903	712280586	/nfs/dbraw/zinc/28/05/86/712280586.db2.gz	GGMBNGMDJIEGND-UHFFFAOYSA-N	0	1	227.289	0.161	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)NC[C@@H]1CCN1C	ZINC000923487901	712334676	/nfs/dbraw/zinc/33/46/76/712334676.db2.gz	IQNXVRKSLZTWBO-MNOVXSKESA-N	0	1	239.319	0.028	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001079470693	712348986	/nfs/dbraw/zinc/34/89/86/712348986.db2.gz	YJLQFCNYSUZGCZ-IJLUTSLNSA-N	0	1	236.315	0.093	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1	ZINC001080655918	712353693	/nfs/dbraw/zinc/35/36/93/712353693.db2.gz	JCRRAMAMMRUSHU-ZYHUDNBSSA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H](CSC)C1	ZINC000390209101	712388640	/nfs/dbraw/zinc/38/86/40/712388640.db2.gz	UGBKUUJGMZYABD-NSHDSACASA-N	0	1	240.372	0.811	20	30		BCEDMN
CCN1CC[C@H]1CNc1cncc(C#N)n1	ZINC000712582925	712434156	/nfs/dbraw/zinc/43/41/56/712434156.db2.gz	RWCHFALUWDSIJE-JTQLQIEISA-N	0	1	217.276	0.854	20	30		BCEDMN
CN1CC[C@H]1CNc1cc(C#N)cnn1	ZINC000712591795	712435218	/nfs/dbraw/zinc/43/52/18/712435218.db2.gz	NATWKDVEPJSXLU-VIFPVBQESA-N	0	1	203.249	0.464	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NC12CCN(CC1)C2	ZINC000715507821	712524400	/nfs/dbraw/zinc/52/44/00/712524400.db2.gz	LWYJVDIVWJTLGC-NSHDSACASA-N	0	1	221.304	0.891	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NC12CCN(CC1)C2	ZINC000715507818	712524451	/nfs/dbraw/zinc/52/44/51/712524451.db2.gz	LWYJVDIVWJTLGC-LLVKDONJSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@H](C(=O)OC)C1	ZINC000715742618	712531403	/nfs/dbraw/zinc/53/14/03/712531403.db2.gz	ZAKLVFWDFPKVCQ-UWVGGRQHSA-N	0	1	213.277	0.825	20	30		BCEDMN
C=CCC[N@H+]1C[C@H]2COCC[C@]2(C(=O)[O-])C1	ZINC000715830917	712534005	/nfs/dbraw/zinc/53/40/05/712534005.db2.gz	MNWHUJKEMAWEPS-JQWIXIFHSA-N	0	1	225.288	0.986	20	30		BCEDMN
C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1	ZINC000806605403	712583045	/nfs/dbraw/zinc/58/30/45/712583045.db2.gz	XIZYMJGLOLIVCM-ZDUSSCGKSA-N	0	1	243.310	0.887	20	30		BCEDMN
C=CCC1(O)CCN([C@@H]2CCNC2=O)CC1	ZINC000717495930	712659847	/nfs/dbraw/zinc/65/98/47/712659847.db2.gz	TWCBAQJDBDLUFF-SNVBAGLBSA-N	0	1	224.304	0.278	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cccc(=O)[nH]1	ZINC000717596662	712661111	/nfs/dbraw/zinc/66/11/11/712661111.db2.gz	XQZNMXTZBNNGFP-UHFFFAOYSA-N	0	1	233.271	0.082	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cccnc1F	ZINC000717680284	712664284	/nfs/dbraw/zinc/66/42/84/712664284.db2.gz	UTOBPXJMSVERAM-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
Cc1ccc(O)cc1C(=O)NCC#CCN(C)C	ZINC000717680290	712664369	/nfs/dbraw/zinc/66/43/69/712664369.db2.gz	UVQIGZLZOBJAQX-UHFFFAOYSA-N	0	1	246.310	0.995	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccnc(OC)n1	ZINC000717711395	712666316	/nfs/dbraw/zinc/66/63/16/712666316.db2.gz	XPCGHNUHJYTAMU-LLVKDONJSA-N	0	1	235.287	0.349	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(C)ns1	ZINC000717726562	712667617	/nfs/dbraw/zinc/66/76/17/712667617.db2.gz	CUCYWXGMBUFRNJ-SECBINFHSA-N	0	1	210.302	0.925	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccccn1	ZINC000717785078	712676313	/nfs/dbraw/zinc/67/63/13/712676313.db2.gz	APWXPOSERUVBJY-LBPRGKRZSA-N	0	1	204.273	0.946	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnccn1	ZINC000717785385	712676656	/nfs/dbraw/zinc/67/66/56/712676656.db2.gz	DGTDGIBIYCZLDF-JTQLQIEISA-N	0	1	205.261	0.341	20	30		BCEDMN
N#C[C@H]1CCCN(CC2(O)CCOCC2)C1	ZINC000932151928	712715484	/nfs/dbraw/zinc/71/54/84/712715484.db2.gz	LFNAKJPVOCOTAB-LLVKDONJSA-N	0	1	224.304	0.763	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)Nc1ccnc(C#N)c1	ZINC000932158549	712716839	/nfs/dbraw/zinc/71/68/39/712716839.db2.gz	KUKYPKMGKIMDQI-LLVKDONJSA-N	0	1	245.286	0.779	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(Cl)cc1	ZINC000718126940	712746107	/nfs/dbraw/zinc/74/61/07/712746107.db2.gz	RTRAWSJZPXKTJB-NEPJUHHUSA-N	0	1	239.702	0.957	20	30		BCEDMN
COCC#CCN1CCC(C2OCCO2)CC1	ZINC000719013135	712793563	/nfs/dbraw/zinc/79/35/63/712793563.db2.gz	VPPGHYOFOGRHEO-UHFFFAOYSA-N	0	1	239.315	0.721	20	30		BCEDMN
C[C@H](C(=O)N[C@@]1(C#N)CCSC1)N(C)C	ZINC000602085987	349433578	/nfs/dbraw/zinc/43/35/78/349433578.db2.gz	LNNBUFOAGAXEDC-PSASIEDQSA-N	0	1	227.333	0.452	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000602141527	349451277	/nfs/dbraw/zinc/45/12/77/349451277.db2.gz	OUEKVMIFHUHLKM-KBVBSXBZSA-N	0	1	248.261	0.977	20	30		BCEDMN
N#C[C@H](CO)NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000602159223	349465274	/nfs/dbraw/zinc/46/52/74/349465274.db2.gz	QUBRAPGGHAQMQV-KOLCDFICSA-N	0	1	237.303	0.004	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCO[C@](C)(COC)C1	ZINC000626175980	346815088	/nfs/dbraw/zinc/81/50/88/346815088.db2.gz	CZOXCWJZNUWEQU-NEPJUHHUSA-N	0	1	229.320	0.661	20	30		BCEDMN
CNC(=O)CCNCc1ccc(C#N)o1	ZINC000135483299	136214406	/nfs/dbraw/zinc/21/44/06/136214406.db2.gz	PMPSJDKNQJURBI-UHFFFAOYSA-N	0	1	207.233	0.377	20	30		BCEDMN
C#CCN(CCN1C(=O)CCC1=O)C1CC1	ZINC000274143638	398150449	/nfs/dbraw/zinc/15/04/49/398150449.db2.gz	KCQPUAQRGNXSQQ-UHFFFAOYSA-N	0	1	220.272	0.233	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[N@H+](CC)[C@H](C)C1	ZINC000649396026	398197869	/nfs/dbraw/zinc/19/78/69/398197869.db2.gz	SUFXROIKDPHYKU-NEPJUHHUSA-N	0	1	212.337	0.949	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C	ZINC000076116286	398226537	/nfs/dbraw/zinc/22/65/37/398226537.db2.gz	ORFKBQJGFIANBU-VIFPVBQESA-N	0	1	225.292	0.483	20	30		BCEDMN
CC(C)N(Cc1ccc(C#N)o1)C[C@H](O)CO	ZINC000421409254	192331819	/nfs/dbraw/zinc/33/18/19/192331819.db2.gz	MGEHMKLJDMWRLH-JTQLQIEISA-N	0	1	238.287	0.715	20	30		BCEDMN
C=CC(C)(C)C(=O)NCCN1CC[C@H](O)C1	ZINC000629916976	361774260	/nfs/dbraw/zinc/77/42/60/361774260.db2.gz	HUIRUBJCLNSYFE-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C[C@H](NCCC#N)[C@H](C)N1CCOCC1	ZINC000576627751	365642153	/nfs/dbraw/zinc/64/21/53/365642153.db2.gz	CTOIWAPKIKWJFC-QWRGUYRKSA-N	0	1	211.309	0.599	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(C)C(C)(C)C1	ZINC000301044943	349537856	/nfs/dbraw/zinc/53/78/56/349537856.db2.gz	NBCWKFAQQMCMEX-SNVBAGLBSA-N	0	1	226.320	0.740	20	30		BCEDMN
C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CCN1	ZINC000602435034	349538903	/nfs/dbraw/zinc/53/89/03/349538903.db2.gz	SIDUEKBKLOZVQB-SNVBAGLBSA-N	0	1	233.315	0.891	20	30		BCEDMN
C[C@@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CNCCO1	ZINC000602514095	349587098	/nfs/dbraw/zinc/58/70/98/349587098.db2.gz	HIRJCVDYTVQFRY-UMNHJUIQSA-N	0	1	237.303	0.173	20	30		BCEDMN
C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)[O-])C1=O	ZINC000650517720	398278728	/nfs/dbraw/zinc/27/87/28/398278728.db2.gz	VJRZRABVZIIGHZ-NXEZZACHSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)[O-])C1=O	ZINC000650517720	398278730	/nfs/dbraw/zinc/27/87/30/398278730.db2.gz	VJRZRABVZIIGHZ-NXEZZACHSA-N	0	1	240.303	0.568	20	30		BCEDMN
CC(C)OC[C@H](N)C(=O)N(C)[C@H](C)CC#N	ZINC000602589974	349613998	/nfs/dbraw/zinc/61/39/98/349613998.db2.gz	AJVORHGNBFTTAL-ZJUUUORDSA-N	0	1	227.308	0.499	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C#N)C1	ZINC000583331981	342735272	/nfs/dbraw/zinc/73/52/72/342735272.db2.gz	SXZIQJKOBQYWGY-SECBINFHSA-N	0	1	232.287	0.960	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@H]1CCCn2nccc21	ZINC000634580811	342796244	/nfs/dbraw/zinc/79/62/44/342796244.db2.gz	KYMVBLBKJYLFQD-MNOVXSKESA-N	0	1	248.330	0.998	20	30		BCEDMN
C=C1CCN(S(=O)(=O)c2ncc[nH]2)CC1	ZINC000382532495	361959082	/nfs/dbraw/zinc/95/90/82/361959082.db2.gz	JNJBOJVHNNZFQM-UHFFFAOYSA-N	0	1	227.289	0.750	20	30		BCEDMN
Cc1ccc(NS(=O)(=O)CC#N)cn1	ZINC000164870379	342853442	/nfs/dbraw/zinc/85/34/42/342853442.db2.gz	SUXPYJPTCRUIDR-UHFFFAOYSA-N	0	1	211.246	0.655	20	30		BCEDMN
Cc1nnc(NC(=O)C2(C#N)CCC2)[nH]1	ZINC000134835579	342897147	/nfs/dbraw/zinc/89/71/47/342897147.db2.gz	ZDQOZDARBBGBSP-UHFFFAOYSA-N	0	1	205.221	0.746	20	30		BCEDMN
Cc1n[nH]c(NC(=O)C2(C#N)CCC2)n1	ZINC000134835579	342897149	/nfs/dbraw/zinc/89/71/49/342897149.db2.gz	ZDQOZDARBBGBSP-UHFFFAOYSA-N	0	1	205.221	0.746	20	30		BCEDMN
Cn1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)nn1	ZINC000329671213	136246251	/nfs/dbraw/zinc/24/62/51/136246251.db2.gz	NDJYUDPKJYUSML-QMMMGPOBSA-N	0	1	246.274	0.920	20	30		BCEDMN
N#CC1(CN[C@@H]2CCCNC(=O)C2)CC1	ZINC000602642752	349655614	/nfs/dbraw/zinc/65/56/14/349655614.db2.gz	MCUGDDNBKKJXKF-SECBINFHSA-N	0	1	207.277	0.548	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@H](O)C1	ZINC000351813725	136254677	/nfs/dbraw/zinc/25/46/77/136254677.db2.gz	RPTKXLIOBMQSES-OUAUKWLOSA-N	0	1	239.319	0.060	20	30		BCEDMN
C=CCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000533572710	342986359	/nfs/dbraw/zinc/98/63/59/342986359.db2.gz	KJTSNJXEXUZOEH-VIFPVBQESA-N	0	1	235.291	0.872	20	30		BCEDMN
C=CCCC(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000533572710	342986361	/nfs/dbraw/zinc/98/63/61/342986361.db2.gz	KJTSNJXEXUZOEH-VIFPVBQESA-N	0	1	235.291	0.872	20	30		BCEDMN
C[C@@H](CCC#N)N(C)[C@H]1CCN(C)C1=O	ZINC000518193167	259338691	/nfs/dbraw/zinc/33/86/91/259338691.db2.gz	VXLBZTMKDUJGPX-UWVGGRQHSA-N	0	1	209.293	0.841	20	30		BCEDMN
C#CCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000176484799	166181361	/nfs/dbraw/zinc/18/13/61/166181361.db2.gz	WKHJLVXAPNJWMP-UWVGGRQHSA-N	0	1	221.304	0.544	20	30		BCEDMN
C[N@@H+](Cc1n[n-]c(=O)o1)CC1(CC#N)CC1	ZINC000602846637	349782768	/nfs/dbraw/zinc/78/27/68/349782768.db2.gz	PUSMNPAUNICQOB-UHFFFAOYSA-N	0	1	222.248	0.901	20	30		BCEDMN
Cn1cc([C@H](CO)NCC2(CC#N)CC2)cn1	ZINC000602807002	349769683	/nfs/dbraw/zinc/76/96/83/349769683.db2.gz	GVBIFDVKFGOPSN-NSHDSACASA-N	0	1	234.303	0.737	20	30		BCEDMN
COC(=O)CCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602854874	349788329	/nfs/dbraw/zinc/78/83/29/349788329.db2.gz	DDWJPJJZADLMIN-PHIMTYICSA-N	0	1	239.319	0.468	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856352	349789216	/nfs/dbraw/zinc/78/92/16/349789216.db2.gz	ZIFYUKRFVINEFE-XQQFMLRXSA-N	0	1	237.347	0.842	20	30		BCEDMN
C#CCNC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000268736211	166181698	/nfs/dbraw/zinc/18/16/98/166181698.db2.gz	VZFHSZMXCZEQRD-VIFPVBQESA-N	0	1	218.260	0.720	20	30		BCEDMN
CN1CCN(CC2(CC#N)CC2)CCC1=O	ZINC000602891736	349795015	/nfs/dbraw/zinc/79/50/15/349795015.db2.gz	DEIJFASQTFPUNU-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
C[C@@H](CC#N)NCCn1ccc([N+](=O)[O-])n1	ZINC000602864246	349796201	/nfs/dbraw/zinc/79/62/01/349796201.db2.gz	RMTOWJFNRRSJOP-QMMMGPOBSA-N	0	1	223.236	0.683	20	30		BCEDMN
C[C@H](CC#N)NCCn1ccc([N+](=O)[O-])n1	ZINC000602864227	349796360	/nfs/dbraw/zinc/79/63/60/349796360.db2.gz	RMTOWJFNRRSJOP-MRVPVSSYSA-N	0	1	223.236	0.683	20	30		BCEDMN
CC[C@@H](CC#N)N[C@H](C)CN1CCOCC1	ZINC000049504633	343111283	/nfs/dbraw/zinc/11/12/83/343111283.db2.gz	AHCKYCJUFMBKKA-NEPJUHHUSA-N	0	1	225.336	0.989	20	30		BCEDMN
C=CCN1CC[C@@H](N(CC)[C@H]2CCOC2)C1=O	ZINC000361595953	136268562	/nfs/dbraw/zinc/26/85/62/136268562.db2.gz	PZWIPEHKOUGYSO-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@H](n2cccn2)C1	ZINC000361594345	136268586	/nfs/dbraw/zinc/26/85/86/136268586.db2.gz	JQIMPNXVLGVVBU-NEPJUHHUSA-N	0	1	248.330	0.821	20	30		BCEDMN
CC[C@H](CC#N)NCCC(=O)N1CCOCC1	ZINC000124120384	343167048	/nfs/dbraw/zinc/16/70/48/343167048.db2.gz	FRHDNYKZNIRUOL-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)C1(N(C)C)CC1	ZINC000616409102	343425414	/nfs/dbraw/zinc/42/54/14/343425414.db2.gz	IDMFBGJQYQWVCE-QWRGUYRKSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCn1cc(CNC(=O)C2(N(C)C)CC2)nn1	ZINC000616410852	343425433	/nfs/dbraw/zinc/42/54/33/343425433.db2.gz	MAUWGSGOKYJBAO-UHFFFAOYSA-N	0	1	249.318	0.175	20	30		BCEDMN
O=C(NCCN1CCC1)N[C@H]1CCCOC1	ZINC000328735348	136341374	/nfs/dbraw/zinc/34/13/74/136341374.db2.gz	YYVDYTINYCWISS-JTQLQIEISA-N	0	1	227.308	0.375	20	30		BCEDMN
CN1CCN(c2cnc(C#N)cn2)CC1(C)C	ZINC000071179110	343626433	/nfs/dbraw/zinc/62/64/33/343626433.db2.gz	UQXZPOXNKBAFDH-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
CC(C)(C#N)CCN1CCC[C@@H]1C(N)=O	ZINC000087595123	343654159	/nfs/dbraw/zinc/65/41/59/343654159.db2.gz	RNCIDZHWBPKPRC-SECBINFHSA-N	0	1	209.293	0.876	20	30		BCEDMN
C#C[C@H](CC)NC(=O)[C@H](C)CN1CCOCC1	ZINC000491628972	259368043	/nfs/dbraw/zinc/36/80/43/259368043.db2.gz	LVSRCYFZYQBPBM-VXGBXAGGSA-N	0	1	238.331	0.483	20	30		BCEDMN
Cc1ncc([C@@H](C)NCC(=O)NCC#N)s1	ZINC000602957358	349829942	/nfs/dbraw/zinc/82/99/42/349829942.db2.gz	SDYXOAQLVJNZRY-SSDOTTSWSA-N	0	1	238.316	0.742	20	30		BCEDMN
C=CCCCCN1CCO[C@H](C(=O)NC)C1	ZINC000584213227	343774932	/nfs/dbraw/zinc/77/49/32/343774932.db2.gz	PCZDNWMJLRMQHF-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccn[nH]2)C[C@H](C)N1CC#N	ZINC000603104645	349870736	/nfs/dbraw/zinc/87/07/36/349870736.db2.gz	FWCWRZQCKRBAKJ-UWVGGRQHSA-N	0	1	247.302	0.468	20	30		BCEDMN
CN[C@H](C)c1cn(CC2(C#N)CC2)nn1	ZINC000603226483	349889153	/nfs/dbraw/zinc/88/91/53/349889153.db2.gz	BQWROMOHTVCTNB-MRVPVSSYSA-N	0	1	205.265	0.862	20	30		BCEDMN
C[C@@H](CO)N(C)Cc1cccc(C#N)n1	ZINC000602655959	343946207	/nfs/dbraw/zinc/94/62/07/343946207.db2.gz	JBPSIPCWDPIMAZ-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2nc(C#N)cs2)nn1	ZINC000603249240	349899112	/nfs/dbraw/zinc/89/91/12/349899112.db2.gz	PNEQKVFBTGSMLY-ZETCQYMHSA-N	0	1	248.315	0.935	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc([C@@H](C)NC)nn1	ZINC000603238390	349904181	/nfs/dbraw/zinc/90/41/81/349904181.db2.gz	WROUXNYKVVEPAU-VXNVDRBHSA-N	0	1	224.264	0.459	20	30		BCEDMN
C[C@H](Nc1cc(C#N)ncn1)c1nnc[nH]1	ZINC000380580586	344422517	/nfs/dbraw/zinc/42/25/17/344422517.db2.gz	PTGBZAWNMSODRD-LURJTMIESA-N	0	1	215.220	0.639	20	30		BCEDMN
CN1CCOC[C@H]1CNC[C@H](C#N)CCC#N	ZINC000600755244	344369219	/nfs/dbraw/zinc/36/92/19/344369219.db2.gz	IOCBHEWHPAYNGP-NWDGAFQWSA-N	0	1	236.319	0.350	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN(C)C1CCC1	ZINC000600820099	344379316	/nfs/dbraw/zinc/37/93/16/344379316.db2.gz	CMHVEUBQUYXRBY-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1ccnc(C#N)n1	ZINC000380839552	344443178	/nfs/dbraw/zinc/44/31/78/344443178.db2.gz	TULBKLFJABLLPR-VIFPVBQESA-N	0	1	217.276	0.489	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2COCCO2)o1	ZINC000135482310	344459425	/nfs/dbraw/zinc/45/94/25/344459425.db2.gz	JGSODMILFWOTCA-LLVKDONJSA-N	0	1	222.244	0.656	20	30		BCEDMN
C[C@@H](NCc1ccc(C#N)s1)C(N)=O	ZINC000135496010	344486943	/nfs/dbraw/zinc/48/69/43/344486943.db2.gz	SXZIMANHSUYUIJ-ZCFIWIBFSA-N	0	1	209.274	0.583	20	30		BCEDMN
CNCc1cn(Cc2ccc(C#N)cc2)nn1	ZINC000072155601	344500522	/nfs/dbraw/zinc/50/05/22/344500522.db2.gz	VHVAAKLZTNHEKI-UHFFFAOYSA-N	0	1	227.271	0.917	20	30		BCEDMN
C=CCNC(=O)CN1CCC(n2ccnc2)CC1	ZINC000109792247	344534844	/nfs/dbraw/zinc/53/48/44/344534844.db2.gz	OKHDDJAFJVMVPK-UHFFFAOYSA-N	0	1	248.330	0.822	20	30		BCEDMN
C[C@H](C#N)C[N@@H+](C)CC[C@H]1CCNC1=O	ZINC000395855346	344566201	/nfs/dbraw/zinc/56/62/01/344566201.db2.gz	OSWIRTWJGORFOO-NXEZZACHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@H](C#N)CN(C)CC[C@H]1CCNC1=O	ZINC000395855346	344566204	/nfs/dbraw/zinc/56/62/04/344566204.db2.gz	OSWIRTWJGORFOO-NXEZZACHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@@H](C#N)C[N@@H+](C)CC[C@H]1CCNC1=O	ZINC000395855349	344566328	/nfs/dbraw/zinc/56/63/28/344566328.db2.gz	OSWIRTWJGORFOO-VHSXEESVSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@@H](C#N)CN(C)CC[C@H]1CCNC1=O	ZINC000395855349	344566330	/nfs/dbraw/zinc/56/63/30/344566330.db2.gz	OSWIRTWJGORFOO-VHSXEESVSA-N	0	1	209.293	0.604	20	30		BCEDMN
CCNC(=O)CCN(CC)C[C@H](C)C#N	ZINC000049572979	344653746	/nfs/dbraw/zinc/65/37/46/344653746.db2.gz	PXHMXSWIFLLMID-SNVBAGLBSA-N	0	1	211.309	0.994	20	30		BCEDMN
C=CCNC(=O)CN(CCO)CCCCC	ZINC000112411679	344644034	/nfs/dbraw/zinc/64/40/34/344644034.db2.gz	OOMBOETYRWSWBK-UHFFFAOYSA-N	0	1	228.336	0.773	20	30		BCEDMN
C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)C1=O	ZINC000626046837	344697741	/nfs/dbraw/zinc/69/77/41/344697741.db2.gz	TZYQDDSAPVTODA-GRYCIOLGSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCCCN1CCN(C(=O)COC)CC1	ZINC000117873434	344759081	/nfs/dbraw/zinc/75/90/81/344759081.db2.gz	YGDCUXDTWXMNML-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000075392590	344770785	/nfs/dbraw/zinc/77/07/85/344770785.db2.gz	FJJWSALZKAWTRE-UHFFFAOYSA-N	0	1	246.226	0.335	20	30		BCEDMN
C#CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000153282870	344844881	/nfs/dbraw/zinc/84/48/81/344844881.db2.gz	PIDZSOXILKTNSB-VXGBXAGGSA-N	0	1	235.331	0.745	20	30		BCEDMN
CN(CCCO)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000305979333	344945286	/nfs/dbraw/zinc/94/52/86/344945286.db2.gz	KQIKTPGHTWOACC-LBPRGKRZSA-N	0	1	239.319	0.109	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000408275008	345014688	/nfs/dbraw/zinc/01/46/88/345014688.db2.gz	RRFQXVLORRHBPE-JGVFFNPUSA-N	0	1	218.260	0.858	20	30		BCEDMN
C[C@@H](C#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000155061970	345065359	/nfs/dbraw/zinc/06/53/59/345065359.db2.gz	MADGDFIRVSOEAP-DTWKUNHWSA-N	0	1	227.333	0.452	20	30		BCEDMN
C=CCN(CC=C)C(=O)CCCc1nn[nH]n1	ZINC000635066454	345238548	/nfs/dbraw/zinc/23/85/48/345238548.db2.gz	WPXSSXMTBASKIT-UHFFFAOYSA-N	0	1	235.291	0.723	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@@H]1NCC1(C#N)CC1	ZINC000381335732	345380257	/nfs/dbraw/zinc/38/02/57/345380257.db2.gz	VPTSXJQUDWZCFA-ZJUUUORDSA-N	0	1	221.304	0.794	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)CC[C@@H](C)O	ZINC000135406670	345440519	/nfs/dbraw/zinc/44/05/19/345440519.db2.gz	DNKWAFUHCYGAGE-GFCCVEGCSA-N	0	1	240.347	0.890	20	30		BCEDMN
COCC#CCN1CCCC[C@H]1CNC(C)=O	ZINC000626158218	345899782	/nfs/dbraw/zinc/89/97/82/345899782.db2.gz	MCRRFCQDXNVMQC-ZDUSSCGKSA-N	0	1	238.331	0.627	20	30		BCEDMN
CCN(CCC#N)C(=O)CCc1c[nH]nn1	ZINC000601009004	345997210	/nfs/dbraw/zinc/99/72/10/345997210.db2.gz	FCTBSOCGCXIEIS-UHFFFAOYSA-N	0	1	221.264	0.499	20	30		BCEDMN
CCN(CCC#N)C(=O)CCc1cnn[nH]1	ZINC000601009004	345997213	/nfs/dbraw/zinc/99/72/13/345997213.db2.gz	FCTBSOCGCXIEIS-UHFFFAOYSA-N	0	1	221.264	0.499	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601025467	346000025	/nfs/dbraw/zinc/00/00/25/346000025.db2.gz	CBLXOZDVFHPPON-SSDOTTSWSA-N	0	1	207.237	0.156	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)CCc1c[nH]nn1	ZINC000601037424	346003702	/nfs/dbraw/zinc/00/37/02/346003702.db2.gz	ZQLBKQLXRPHILO-UHFFFAOYSA-N	0	1	247.302	0.890	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)CCc1cnn[nH]1	ZINC000601037424	346003706	/nfs/dbraw/zinc/00/37/06/346003706.db2.gz	ZQLBKQLXRPHILO-UHFFFAOYSA-N	0	1	247.302	0.890	20	30		BCEDMN
C=CCN(C)C(=O)CCCc1nn[nH]n1	ZINC000635818911	346079867	/nfs/dbraw/zinc/07/98/67/346079867.db2.gz	OOPLVEKGBLJCIE-UHFFFAOYSA-N	0	1	209.253	0.167	20	30		BCEDMN
C=CCCN(C)C(=O)CCCc1nn[nH]n1	ZINC000635839680	346082915	/nfs/dbraw/zinc/08/29/15/346082915.db2.gz	HRGORARPVKRTRF-UHFFFAOYSA-N	0	1	223.280	0.557	20	30		BCEDMN
O=C(NCC#CCO)[C@H]1CCN1C1CCCC1	ZINC000635900611	346106569	/nfs/dbraw/zinc/10/65/69/346106569.db2.gz	OHXSTAOZBVMZOU-GFCCVEGCSA-N	0	1	236.315	0.115	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)CCCc1nn[nH]n1	ZINC000635891648	346103355	/nfs/dbraw/zinc/10/33/55/346103355.db2.gz	NJYCSVQYJJGJLJ-VIFPVBQESA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635796351	346065522	/nfs/dbraw/zinc/06/55/22/346065522.db2.gz	LJPBTGDIIJPADC-IVZWLZJFSA-N	0	1	235.287	0.566	20	30		BCEDMN
C=C(C)CCNC(=O)CCCc1nn[nH]n1	ZINC000635986778	346139454	/nfs/dbraw/zinc/13/94/54/346139454.db2.gz	SFVHWGVLLNBNRH-UHFFFAOYSA-N	0	1	223.280	0.605	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)N(C)C	ZINC000635991295	346141851	/nfs/dbraw/zinc/14/18/51/346141851.db2.gz	HXBLUYHGNGTLJO-BBBLOLIVSA-N	0	1	212.293	0.396	20	30		BCEDMN
CC#CCN(C)C(=O)[C@@H]1CCCCN1C	ZINC000635969268	346127581	/nfs/dbraw/zinc/12/75/81/346127581.db2.gz	BNXBYFCWOWYLFC-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
Cc1cccc(C(=O)Nc2nn[nH]n2)n1	ZINC000028265000	179002425	/nfs/dbraw/zinc/00/24/25/179002425.db2.gz	UQHAIRDRZJDIBZ-UHFFFAOYSA-N	0	1	204.193	0.539	20	30		BCEDMN
C=CCNC(=O)CNCc1ccncc1N	ZINC000641746369	362672725	/nfs/dbraw/zinc/67/27/25/362672725.db2.gz	VXPOANLEARPJGQ-UHFFFAOYSA-N	0	1	220.276	0.056	20	30		BCEDMN
C=CC[C@@H](CO)NCc1nccnc1OC	ZINC000641753097	362678960	/nfs/dbraw/zinc/67/89/60/362678960.db2.gz	ZMZKJTWKCSCBMA-VIFPVBQESA-N	0	1	223.276	0.512	20	30		BCEDMN
N#Cc1ccc(CN2CCC[C@@H]2CO)nc1	ZINC000563355826	323120501	/nfs/dbraw/zinc/12/05/01/323120501.db2.gz	NZWUVNRXKSQNMV-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C=C[C@H](CO)NCc1c(C2CC2)cnn1C	ZINC000641774991	362714195	/nfs/dbraw/zinc/71/41/95/362714195.db2.gz	RGQIXJCRRLOVEH-SNVBAGLBSA-N	0	1	221.304	0.934	20	30		BCEDMN
C=CCOCCNC(=O)CCc1cnc[nH]1	ZINC000684475553	488319004	/nfs/dbraw/zinc/31/90/04/488319004.db2.gz	MGTBIJIGJOQQMZ-UHFFFAOYSA-N	0	1	223.276	0.661	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](OC)C1	ZINC000170819748	346455188	/nfs/dbraw/zinc/45/51/88/346455188.db2.gz	ABQZRHGQQULWKO-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C[C@@H]1CN(c2cncc(C#N)n2)C[C@H](C)N1C	ZINC000401237644	346501717	/nfs/dbraw/zinc/50/17/17/346501717.db2.gz	SLRHLQHRVRLWFE-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2nnc[nH]2)C1	ZINC000601189312	346611682	/nfs/dbraw/zinc/61/16/82/346611682.db2.gz	HMQOZSQAOCPSRB-SKDRFNHKSA-N	0	1	247.302	0.936	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2cncc(C#N)n2)n[nH]1	ZINC000401377474	346647059	/nfs/dbraw/zinc/64/70/59/346647059.db2.gz	JSSRCYBIVMYEIA-ZCFIWIBFSA-N	0	1	229.247	0.948	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cccc(C#N)n1	ZINC000589328005	346691388	/nfs/dbraw/zinc/69/13/88/346691388.db2.gz	XSJQZMZDWDBYJY-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C=CC(C)(C)C(=O)NCc1n[nH]c(COC)n1	ZINC000617935108	346779598	/nfs/dbraw/zinc/77/95/98/346779598.db2.gz	SVOVJOQVCJQPBV-UHFFFAOYSA-N	0	1	238.291	0.780	20	30		BCEDMN
C=CC(C)(C)C(=O)NCc1nnc(COC)[nH]1	ZINC000617935108	346779601	/nfs/dbraw/zinc/77/96/01/346779601.db2.gz	SVOVJOQVCJQPBV-UHFFFAOYSA-N	0	1	238.291	0.780	20	30		BCEDMN
C#CCCCCNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000183284201	347123172	/nfs/dbraw/zinc/12/31/72/347123172.db2.gz	ZZVKKLSQQLSYEY-VIFPVBQESA-N	0	1	235.291	0.968	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601283790	347148798	/nfs/dbraw/zinc/14/87/98/347148798.db2.gz	BRUBFHXPQDMVKU-SECBINFHSA-N	0	1	235.291	0.792	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601283790	347148801	/nfs/dbraw/zinc/14/88/01/347148801.db2.gz	BRUBFHXPQDMVKU-SECBINFHSA-N	0	1	235.291	0.792	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601283801	347149349	/nfs/dbraw/zinc/14/93/49/347149349.db2.gz	BRUBFHXPQDMVKU-VIFPVBQESA-N	0	1	235.291	0.792	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601283801	347149352	/nfs/dbraw/zinc/14/93/52/347149352.db2.gz	BRUBFHXPQDMVKU-VIFPVBQESA-N	0	1	235.291	0.792	20	30		BCEDMN
CN1CC[C@H](N2CCC[C@@H](CC#N)C2)C1=O	ZINC000397600235	347230304	/nfs/dbraw/zinc/23/03/04/347230304.db2.gz	LQHASOFCEMALGT-QWRGUYRKSA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)Cc1ncn[nH]1)C1CC1	ZINC000601367918	347271865	/nfs/dbraw/zinc/27/18/65/347271865.db2.gz	FDQZIBMTKXISGP-QMMMGPOBSA-N	0	1	233.275	0.498	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)CCc1nn[nH]n1)C1CC1	ZINC000601368128	347272526	/nfs/dbraw/zinc/27/25/26/347272526.db2.gz	LBVXBGCWMVCNPM-QMMMGPOBSA-N	0	1	248.290	0.283	20	30		BCEDMN
CC(C)(C#N)CNC(=O)CCc1c[nH]nn1	ZINC000601423313	347339959	/nfs/dbraw/zinc/33/99/59/347339959.db2.gz	RCNBLHFWRWCVJO-UHFFFAOYSA-N	0	1	221.264	0.403	20	30		BCEDMN
CC(C)(C#N)CNC(=O)CCc1cnn[nH]1	ZINC000601423313	347339963	/nfs/dbraw/zinc/33/99/63/347339963.db2.gz	RCNBLHFWRWCVJO-UHFFFAOYSA-N	0	1	221.264	0.403	20	30		BCEDMN
N#C[C@@]1(F)CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000601400251	347318519	/nfs/dbraw/zinc/31/85/19/347318519.db2.gz	PXCMADZKFSMFBU-QMMMGPOBSA-N	0	1	244.251	0.036	20	30		BCEDMN
C#CCN(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000192218572	347369716	/nfs/dbraw/zinc/36/97/16/347369716.db2.gz	OTNGWKAWBNTUDR-ZDUSSCGKSA-N	0	1	244.294	0.863	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1ccc2cncn2c1	ZINC000336322500	347464953	/nfs/dbraw/zinc/46/49/53/347464953.db2.gz	MSRUIAGPMSORKM-QMMMGPOBSA-N	0	1	214.228	0.976	20	30		BCEDMN
CCOCC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759713	347692493	/nfs/dbraw/zinc/69/24/93/347692493.db2.gz	UMLVPVGLFJPNKN-SNVBAGLBSA-N	0	1	214.309	0.913	20	30		BCEDMN
CCOC(=O)CC[C@H](O)CNCC(C)(C)C#N	ZINC000591759616	347692690	/nfs/dbraw/zinc/69/26/90/347692690.db2.gz	PZQNTHVBSAONQS-JTQLQIEISA-N	0	1	242.319	0.830	20	30		BCEDMN
CCOCC[C@H](O)CNC[C@H](C)C#N	ZINC000591735056	347693987	/nfs/dbraw/zinc/69/39/87/347693987.db2.gz	YHJUYJGUMGHOON-ZJUUUORDSA-N	0	1	200.282	0.523	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(CC[C@H](C)O)CC1	ZINC000591845738	347706500	/nfs/dbraw/zinc/70/65/00/347706500.db2.gz	SNOMPFRBYOVCHI-STQMWFEESA-N	0	1	239.363	0.923	20	30		BCEDMN
Cc1nn(C)c(C)c1CN1CC[C@@](O)(CC#N)C1	ZINC000592150532	347741789	/nfs/dbraw/zinc/74/17/89/347741789.db2.gz	GCPBURQMMBQDOT-ZDUSSCGKSA-N	0	1	248.330	0.887	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCn2cccn2)C1	ZINC000592150289	347742144	/nfs/dbraw/zinc/74/21/44/347742144.db2.gz	DJXYOHXHVSBYOK-LLVKDONJSA-N	0	1	220.276	0.234	20	30		BCEDMN
Cc1nc([C@@H](C)N2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000592155317	347745532	/nfs/dbraw/zinc/74/55/32/347745532.db2.gz	ZTUDZKFCIYVIRP-KCJUWKMLSA-N	0	1	235.291	0.525	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@H]1CCN(CCOC)C1	ZINC000593457701	347898999	/nfs/dbraw/zinc/89/89/99/347898999.db2.gz	IEFDUJZNWZDGHJ-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](C)CS(C)(=O)=O	ZINC000577385670	365941642	/nfs/dbraw/zinc/94/16/42/365941642.db2.gz	MKBVVMMIHPCXHV-UWVGGRQHSA-N	0	1	232.349	0.949	20	30		BCEDMN
CC[C@H](C#N)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000593600524	347919184	/nfs/dbraw/zinc/91/91/84/347919184.db2.gz	BERJALLVZSUDTN-JGVFFNPUSA-N	0	1	236.279	0.311	20	30		BCEDMN
CCOC(=O)CN(C(=O)C(C)C#N)C(C)C	ZINC000044827104	348023734	/nfs/dbraw/zinc/02/37/34/348023734.db2.gz	HQZVGRJMSLLMCG-VIFPVBQESA-N	0	1	226.276	0.946	20	30		BCEDMN
CCOC(=O)[C@H]1CCCN1C(=O)C(C)C#N	ZINC000044827287	348023957	/nfs/dbraw/zinc/02/39/57/348023957.db2.gz	NCQPZPFWBOTPDZ-DTWKUNHWSA-N	0	1	224.260	0.700	20	30		BCEDMN
CN(C)C1CN(C(=O)CCCCC#N)C1	ZINC000594329915	348033688	/nfs/dbraw/zinc/03/36/88/348033688.db2.gz	ACCRESKTYQNYJU-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
CSC[C@@H](O)CN1CC(CC#N)C1	ZINC000594715715	348105475	/nfs/dbraw/zinc/10/54/75/348105475.db2.gz	ANNNDYKNPNIEID-VIFPVBQESA-N	0	1	200.307	0.556	20	30		BCEDMN
CCOCC[C@@H](O)CN1CC(CC#N)C1	ZINC000594716173	348106310	/nfs/dbraw/zinc/10/63/10/348106310.db2.gz	LACUMVRFHSGHGA-LLVKDONJSA-N	0	1	212.293	0.619	20	30		BCEDMN
N#CC1(Cn2cc([C@H](N)CO)nn2)CCCCC1	ZINC000594658392	348093278	/nfs/dbraw/zinc/09/32/78/348093278.db2.gz	RPJHNFIVMBSWMT-SNVBAGLBSA-N	0	1	249.318	0.744	20	30		BCEDMN
CCN(CCc1c[nH]nn1)C[C@@H](C)C#N	ZINC000595299248	348217618	/nfs/dbraw/zinc/21/76/18/348217618.db2.gz	XWHJKECMEVZOKA-VIFPVBQESA-N	0	1	207.281	0.829	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CC(F)(F)F	ZINC000189488004	187391912	/nfs/dbraw/zinc/39/19/12/187391912.db2.gz	HLEWYMLWKFGALS-SECBINFHSA-N	0	1	219.206	0.868	20	30		BCEDMN
N#C[C@]1(F)CCN(CCc2c[nH]nn2)C1	ZINC000595457669	348255338	/nfs/dbraw/zinc/25/53/38/348255338.db2.gz	YTZYRDOPIFGFQE-SECBINFHSA-N	0	1	209.228	0.285	20	30		BCEDMN
C[N@@H+](CCCSCC#N)Cc1n[n-]c(=O)o1	ZINC000595545928	348267545	/nfs/dbraw/zinc/26/75/45/348267545.db2.gz	BDZRGMUFGXSRQW-UHFFFAOYSA-N	0	1	242.304	0.854	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C[C@H](C#N)CCC#N	ZINC000595547925	348268624	/nfs/dbraw/zinc/26/86/24/348268624.db2.gz	UJMKIVYFGOUYIG-QMMMGPOBSA-N	0	1	235.247	0.651	20	30		BCEDMN
C[N@@H+](Cc1n[n-]c(=O)o1)[C@@H]1CC[C@@H](C#N)C1	ZINC000595547820	348268655	/nfs/dbraw/zinc/26/86/55/348268655.db2.gz	STGMAFIERJRTBN-HTQZYQBOSA-N	0	1	222.248	0.899	20	30		BCEDMN
N#CCNC(=O)CN(C1CC1)C1(CO)CCC1	ZINC000595534176	348275626	/nfs/dbraw/zinc/27/56/26/348275626.db2.gz	QISJQFOQVCALHB-UHFFFAOYSA-N	0	1	237.303	0.006	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)c2cnccc2N)C1	ZINC000595980159	348414914	/nfs/dbraw/zinc/41/49/14/348414914.db2.gz	GOEMCROHGQVXOV-LBPRGKRZSA-N	0	1	230.271	0.870	20	30		BCEDMN
CCOC(=O)CC1(NCCC#N)CCOCC1	ZINC000595889376	348389968	/nfs/dbraw/zinc/38/99/68/348389968.db2.gz	ZDZBDMDUVFYBJG-UHFFFAOYSA-N	0	1	240.303	0.992	20	30		BCEDMN
Cn1ncc(C#N)c1NCc1n[nH]c(C2CC2)n1	ZINC000596249666	348472974	/nfs/dbraw/zinc/47/29/74/348472974.db2.gz	JVNGULSWQLBGGX-UHFFFAOYSA-N	0	1	243.274	0.899	20	30		BCEDMN
CN(CC1CN(C)C1)c1nccnc1C#N	ZINC000596455052	348542594	/nfs/dbraw/zinc/54/25/94/348542594.db2.gz	ZJZNKNUDQWICRG-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
COCc1nc(CNc2cccnc2C#N)n[nH]1	ZINC000596435063	348546240	/nfs/dbraw/zinc/54/62/40/348546240.db2.gz	AMUYYJDUYWVEQW-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2cccnc2C#N)[nH]1	ZINC000596435063	348546243	/nfs/dbraw/zinc/54/62/43/348546243.db2.gz	AMUYYJDUYWVEQW-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
CN(CC1CN(C)C1)c1cnc(C#N)cn1	ZINC000596454283	348552125	/nfs/dbraw/zinc/55/21/25/348552125.db2.gz	QHHBUUPVXMDVKS-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H](C)C#N	ZINC000597084380	348655296	/nfs/dbraw/zinc/65/52/96/348655296.db2.gz	YZEUUKFVWKPSGB-SGIHWFKDSA-N	0	1	210.277	0.933	20	30		BCEDMN
CS(=O)(=O)CCCN[C@@H]1CCC[C@@H]1C#N	ZINC000054825921	348665252	/nfs/dbraw/zinc/66/52/52/348665252.db2.gz	MVNPBILSMASSJT-NXEZZACHSA-N	0	1	230.333	0.703	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2ncc[nH]2)CC1	ZINC000597167750	348667855	/nfs/dbraw/zinc/66/78/55/348667855.db2.gz	YNHQPEHGFJFKKX-UHFFFAOYSA-N	0	1	233.275	0.127	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000596994903	348640459	/nfs/dbraw/zinc/64/04/59/348640459.db2.gz	KIHQBPWQEVNZLP-BDAKNGLRSA-N	0	1	232.287	0.933	20	30		BCEDMN
C[C@H](CC#N)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000597412266	348731187	/nfs/dbraw/zinc/73/11/87/348731187.db2.gz	JNWAUKLUPWITGJ-RKDXNWHRSA-N	0	1	232.287	0.933	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000597200893	348675027	/nfs/dbraw/zinc/67/50/27/348675027.db2.gz	JYFODANGBWFUGR-RKDXNWHRSA-N	0	1	232.287	0.790	20	30		BCEDMN
Cc1nc(CC(=O)N[C@H](C#N)C(C)C)n[nH]1	ZINC000597187681	348684495	/nfs/dbraw/zinc/68/44/95/348684495.db2.gz	ICCOLVLHKWQURN-MRVPVSSYSA-N	0	1	221.264	0.320	20	30		BCEDMN
N#Cc1ccc(CN2CCc3n[nH]nc3C2)o1	ZINC000597250280	348708231	/nfs/dbraw/zinc/70/82/31/348708231.db2.gz	VHOBBETUACBQKZ-UHFFFAOYSA-N	0	1	229.243	0.828	20	30		BCEDMN
C=C1CCN(C[C@](C)(O)C(=O)OCC)CC1	ZINC000274594221	187401291	/nfs/dbraw/zinc/40/12/91/187401291.db2.gz	KXABFTLGYDKDHX-LBPRGKRZSA-N	0	1	227.304	0.953	20	30		BCEDMN
C[C@@H](CC#N)C(=O)NCCN1CCCOCC1	ZINC000597539857	348758441	/nfs/dbraw/zinc/75/84/41/348758441.db2.gz	HNMCBPSXOXGJDO-NSHDSACASA-N	0	1	239.319	0.375	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CCC2(CN(C)C2)C1	ZINC000597568220	348760744	/nfs/dbraw/zinc/76/07/44/348760744.db2.gz	OADGHCWKRIGDIE-JTQLQIEISA-N	0	1	221.304	0.700	20	30		BCEDMN
CN(C)CC(=O)NCCc1ccc(C#N)cc1	ZINC000597890607	348834787	/nfs/dbraw/zinc/83/47/87/348834787.db2.gz	FSCFYUGGERFBPU-UHFFFAOYSA-N	0	1	231.299	0.779	20	30		BCEDMN
C=CCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000597971873	348856963	/nfs/dbraw/zinc/85/69/63/348856963.db2.gz	KEPNDNHWDLMOAY-UHFFFAOYSA-N	0	1	210.193	0.624	20	30		BCEDMN
Cc1[nH]nc(C(=O)N2CC(CC#N)C2)c1[N+](=O)[O-]	ZINC000598035281	348871599	/nfs/dbraw/zinc/87/15/99/348871599.db2.gz	IPOSKDLXEXJTIW-UHFFFAOYSA-N	0	1	249.230	0.612	20	30		BCEDMN
CCN(C(=O)[C@@H]1CCCN1C)[C@H](C)C#N	ZINC000598359877	348944861	/nfs/dbraw/zinc/94/48/61/348944861.db2.gz	NLDZAKBIVQDSHW-ZJUUUORDSA-N	0	1	209.293	0.841	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1ccc(C#N)[nH]1	ZINC000598162488	348897312	/nfs/dbraw/zinc/89/73/12/348897312.db2.gz	IUDOCUSOVKJHDU-UHFFFAOYSA-N	0	1	232.287	0.520	20	30		BCEDMN
COC(=O)[C@](C)(CCF)NC(=O)C(C)C#N	ZINC000598283277	348922059	/nfs/dbraw/zinc/92/20/59/348922059.db2.gz	LEQCONOTFTXCAC-XVKPBYJWSA-N	0	1	230.239	0.554	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1C[C@@H](F)C[C@H]1CO	ZINC000598620014	349001848	/nfs/dbraw/zinc/00/18/48/349001848.db2.gz	UVUSPXXNSIAOIQ-GARJFASQSA-N	0	1	244.310	0.692	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1CCNC(=O)CC1	ZINC000598591263	348997562	/nfs/dbraw/zinc/99/75/62/348997562.db2.gz	XUKLDGSVZRTJBN-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)N(C)C	ZINC000598409361	348965123	/nfs/dbraw/zinc/96/51/23/348965123.db2.gz	QFMXQASNRJAQQT-GXSJLCMTSA-N	0	1	209.293	0.699	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1C[C@@H](F)C[C@H]1CO	ZINC000598608596	349007111	/nfs/dbraw/zinc/00/71/11/349007111.db2.gz	UVUSPXXNSIAOIQ-DCAQKATOSA-N	0	1	244.310	0.692	20	30		BCEDMN
C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]1O	ZINC000598606432	349007164	/nfs/dbraw/zinc/00/71/64/349007164.db2.gz	KDKNKFRPIDZHSQ-GRYCIOLGSA-N	0	1	240.347	0.990	20	30		BCEDMN
Cn1ccnc1CNC[C@H](O)CC(C)(C)C#N	ZINC000598719087	349027146	/nfs/dbraw/zinc/02/71/46/349027146.db2.gz	GBLGMDZKDARYID-SNVBAGLBSA-N	0	1	236.319	0.810	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000598743463	349036697	/nfs/dbraw/zinc/03/66/97/349036697.db2.gz	BEDNLQHUVAEVNX-JTQLQIEISA-N	0	1	238.247	0.673	20	30		BCEDMN
N#Cc1ncccc1NCCN1CC[C@@H](O)C1	ZINC000599175663	349103482	/nfs/dbraw/zinc/10/34/82/349103482.db2.gz	GXYCYCGVKWGTGE-SNVBAGLBSA-N	0	1	232.287	0.432	20	30		BCEDMN
CC(C)[C@H]1CNCCN1C(=O)NCCCC#N	ZINC000599919380	349271258	/nfs/dbraw/zinc/27/12/58/349271258.db2.gz	VDAHFYABRZKJOM-LLVKDONJSA-N	0	1	238.335	0.930	20	30		BCEDMN
COC(=O)C12CCC(CC1)N2C(=O)C(C)C#N	ZINC000601830740	349357376	/nfs/dbraw/zinc/35/73/76/349357376.db2.gz	WYGUJEDVXVAGQM-QTZUAFFRSA-N	0	1	236.271	0.843	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)[C@H](C)N(C)C)C(=O)OC	ZINC000601783041	349342254	/nfs/dbraw/zinc/34/22/54/349342254.db2.gz	ULKQRESVONXMFR-UWVGGRQHSA-N	0	1	242.319	0.561	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)Cc1ncn[nH]1	ZINC000601604751	349311348	/nfs/dbraw/zinc/31/13/48/349311348.db2.gz	ZEYVGGVKZDCHFW-UHFFFAOYSA-N	0	1	221.264	0.355	20	30		BCEDMN
C[C@H](C#N)Cn1[nH]c([C@@H]2CCOC2)cc1=O	ZINC000601935393	349389767	/nfs/dbraw/zinc/38/97/67/349389767.db2.gz	TVPNNZTZJDBNNN-RKDXNWHRSA-N	0	1	221.260	0.771	20	30		BCEDMN
CCOC(=O)Cc1cc(=O)n([C@H](C)CC#N)[nH]1	ZINC000601934463	349388123	/nfs/dbraw/zinc/38/81/23/349388123.db2.gz	AQUNAIBVTCTEJX-MRVPVSSYSA-N	0	1	237.259	0.830	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(C(=O)OC)n1C	ZINC000602029777	349420508	/nfs/dbraw/zinc/42/05/08/349420508.db2.gz	XMEQERYEZMPSAI-SECBINFHSA-N	0	1	238.287	0.448	20	30		BCEDMN
CCCc1cc(C(=O)N(CC#N)CC#N)n[nH]1	ZINC000604544418	350150053	/nfs/dbraw/zinc/15/00/53/350150053.db2.gz	KUNOVTPEQURXGJ-UHFFFAOYSA-N	0	1	231.259	0.852	20	30		BCEDMN
C=CCCCN1CCN(CC(=O)N(C)C)CC1	ZINC000605149637	350258185	/nfs/dbraw/zinc/25/81/85/350258185.db2.gz	IGCHYCUMJNIDEB-UHFFFAOYSA-N	0	1	239.363	0.658	20	30		BCEDMN
CNC(=O)CCN(C)Cc1ccnc(C#N)c1	ZINC000228059405	350340972	/nfs/dbraw/zinc/34/09/72/350340972.db2.gz	PXAHOCZHSXTVFP-UHFFFAOYSA-N	0	1	232.287	0.521	20	30		BCEDMN
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C)[N@@H+]1C	ZINC000328411874	350399943	/nfs/dbraw/zinc/39/99/43/350399943.db2.gz	HFRLDENTUMKYTC-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C)N1C	ZINC000328411874	350399944	/nfs/dbraw/zinc/39/99/44/350399944.db2.gz	HFRLDENTUMKYTC-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
CC#CCCN(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000336654023	350420731	/nfs/dbraw/zinc/42/07/31/350420731.db2.gz	JWODBFMPUUGZNG-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
CC#CCCN(C)C[C@@H]1CCS(=O)(=O)C1	ZINC000336665647	350426655	/nfs/dbraw/zinc/42/66/55/350426655.db2.gz	FQRRKWSOBQSACB-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CCN(CC#C)Cc1n[nH]c(CC)n1	ZINC000158759451	191105193	/nfs/dbraw/zinc/10/51/93/191105193.db2.gz	IDPVYOVTHQKOGA-UHFFFAOYSA-N	0	1	202.261	0.436	20	30		BCEDMN
C=CCN1CC[C@@H](N(CCOC)C2CC2)C1=O	ZINC000337127605	350558796	/nfs/dbraw/zinc/55/87/96/350558796.db2.gz	GYFRHOCCRXHRCL-GFCCVEGCSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](O)C1	ZINC000216460871	350730589	/nfs/dbraw/zinc/73/05/89/350730589.db2.gz	VQEAXYZJNAPEMI-VHSXEESVSA-N	0	1	212.293	0.134	20	30		BCEDMN
COCCO[C@@H]1CC[N@@H+](CCOCCC#N)C1	ZINC000339112220	350734975	/nfs/dbraw/zinc/73/49/75/350734975.db2.gz	USGMWXRHPVFQFX-GFCCVEGCSA-N	0	1	242.319	0.654	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21	ZINC000153161587	362982408	/nfs/dbraw/zinc/98/24/08/362982408.db2.gz	RMGWMZKOPWRJAZ-NWDGAFQWSA-N	0	1	244.298	0.472	20	30		BCEDMN
C#CCN[C@@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000292380966	350958758	/nfs/dbraw/zinc/95/87/58/350958758.db2.gz	ZEKRTAKJNXCYCP-CMPLNLGQSA-N	0	1	216.284	0.867	20	30		BCEDMN
C[C@H](NCC(=O)NCC#N)c1cccnc1	ZINC000035692114	358458904	/nfs/dbraw/zinc/45/89/04/358458904.db2.gz	BTSWIOHRQWNKJK-VIFPVBQESA-N	0	1	218.260	0.372	20	30		BCEDMN
N#CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1	ZINC000270972197	351392068	/nfs/dbraw/zinc/39/20/68/351392068.db2.gz	HMNRLGFBGOCBIJ-UHFFFAOYSA-N	0	1	249.230	0.884	20	30		BCEDMN
N#C[C@H]1CSCCN1C(=O)Cc1ccn[nH]1	ZINC000271714870	363025834	/nfs/dbraw/zinc/02/58/34/363025834.db2.gz	JTUQVCXEZDQUQG-VIFPVBQESA-N	0	1	236.300	0.420	20	30		BCEDMN
N#CCCCNC(=O)c1[nH]nc2c1CCC2	ZINC000273158225	351510963	/nfs/dbraw/zinc/51/09/63/351510963.db2.gz	SPRWQCDDFALOJJ-UHFFFAOYSA-N	0	1	218.260	0.932	20	30		BCEDMN
CCc1nc(CN(C)C[C@H](C)C#N)n[nH]1	ZINC000274646455	351575823	/nfs/dbraw/zinc/57/58/23/351575823.db2.gz	MANZVQUEYBOYJG-MRVPVSSYSA-N	0	1	207.281	0.959	20	30		BCEDMN
C=C[C@H](C)NC(=O)c1cnc(CN)nc1	ZINC000638002117	351878265	/nfs/dbraw/zinc/87/82/65/351878265.db2.gz	HSPJJDCBNTYTCC-ZETCQYMHSA-N	0	1	206.249	0.240	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cc(C)[nH]n1	ZINC000281950876	351917800	/nfs/dbraw/zinc/91/78/00/351917800.db2.gz	JRLCDODLWHIMJW-UHFFFAOYSA-N	0	1	202.217	0.317	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCCN1C	ZINC000282075017	351922468	/nfs/dbraw/zinc/92/24/68/351922468.db2.gz	TVYNPEBFVUKOTR-JTQLQIEISA-N	0	1	205.261	0.066	20	30		BCEDMN
C=CC1CCN(Cc2cnc(N)nc2N)CC1	ZINC000638071939	351943739	/nfs/dbraw/zinc/94/37/39/351943739.db2.gz	IKTFSTQMSXGBNQ-UHFFFAOYSA-N	0	1	233.319	0.700	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@]1(C)CNCCO1	ZINC000638009799	351888180	/nfs/dbraw/zinc/88/81/80/351888180.db2.gz	OEFBNFFALJKJRW-ONGXEEELSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=CCC[C@H](O)CN(C)[C@H]1CCNC1=O	ZINC000340222154	352078008	/nfs/dbraw/zinc/07/80/08/352078008.db2.gz	NJJQIQYZHYDPQY-UWVGGRQHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCCCCNC(=O)NC[C@H]1COCCN1	ZINC000627014791	363113871	/nfs/dbraw/zinc/11/38/71/363113871.db2.gz	FZDYUIUNYJSRKN-NSHDSACASA-N	0	1	241.335	0.630	20	30		BCEDMN
C=CCOCCNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000613365289	363136750	/nfs/dbraw/zinc/13/67/50/363136750.db2.gz	VTLJJKSQCOVYBM-JTQLQIEISA-N	0	1	249.314	0.833	20	30		BCEDMN
C=CCOCCCNC(=O)[C@@]1(C)CNCCO1	ZINC000638416387	352228903	/nfs/dbraw/zinc/22/89/03/352228903.db2.gz	WIMQQOZSUBNBTR-GFCCVEGCSA-N	0	1	242.319	0.074	20	30		BCEDMN
C[C@H](Nc1ncncc1C#N)c1nnc[nH]1	ZINC000304461346	363153903	/nfs/dbraw/zinc/15/39/03/363153903.db2.gz	CGUFJZOWYZACNK-LURJTMIESA-N	0	1	215.220	0.639	20	30		BCEDMN
C=CC(C)(C)CNC(=O)NC[C@H]1COCCN1	ZINC000627050159	363170791	/nfs/dbraw/zinc/17/07/91/363170791.db2.gz	CSMWYXKVVYLAGG-JTQLQIEISA-N	0	1	241.335	0.486	20	30		BCEDMN
C=C(CC)CNC(=O)NC[C@H]1COCCN1	ZINC000627056597	363174996	/nfs/dbraw/zinc/17/49/96/363174996.db2.gz	XUGNEEWHPOGSMR-JTQLQIEISA-N	0	1	227.308	0.240	20	30		BCEDMN
C=CCC[C@H](O)CN[C@H](C)c1nncn1C	ZINC000336744262	352697254	/nfs/dbraw/zinc/69/72/54/352697254.db2.gz	PZRBURLMHYPCJC-ZJUUUORDSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCC[C@H](O)CN[C@@H](C)c1nncn1C	ZINC000336744260	352697272	/nfs/dbraw/zinc/69/72/72/352697272.db2.gz	PZRBURLMHYPCJC-UWVGGRQHSA-N	0	1	224.308	0.793	20	30		BCEDMN
CCN1CCN(c2nc(C)cc(C#N)n2)CC1	ZINC000032016085	352740510	/nfs/dbraw/zinc/74/05/10/352740510.db2.gz	RWJLGQLRIZAETJ-UHFFFAOYSA-N	0	1	231.303	0.799	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@@H]([C@@H](C)O)C1	ZINC000412071633	191251866	/nfs/dbraw/zinc/25/18/66/191251866.db2.gz	GNEUJXPHADTLJZ-GRYCIOLGSA-N	0	1	229.320	0.395	20	30		BCEDMN
CC#CCN1CCSC[C@@H](C(=O)OC)C1	ZINC000412083791	191254603	/nfs/dbraw/zinc/25/46/03/191254603.db2.gz	SMVAODBNLWRPJT-JTQLQIEISA-N	0	1	227.329	0.848	20	30		BCEDMN
C=CC[C@H](CO)CNCc1ncnn1CC	ZINC000638830616	353009712	/nfs/dbraw/zinc/00/97/12/353009712.db2.gz	QUBJPHIVCWUCTP-JTQLQIEISA-N	0	1	224.308	0.572	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCC2(CN(C)C2)C1	ZINC000398672525	353127514	/nfs/dbraw/zinc/12/75/14/353127514.db2.gz	MIIVLUTVOLEGSN-SECBINFHSA-N	0	1	207.277	0.310	20	30		BCEDMN
CC(C)(NC(=O)c1cc(C#N)c[nH]1)c1nn[nH]n1	ZINC000360120919	188068954	/nfs/dbraw/zinc/06/89/54/188068954.db2.gz	BXCGFVDNCPJVOX-UHFFFAOYSA-N	0	1	245.246	0.065	20	30		BCEDMN
CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1	ZINC000330852873	353194735	/nfs/dbraw/zinc/19/47/35/353194735.db2.gz	RCVQDRLCMXANDC-SNVBAGLBSA-N	0	1	239.319	0.935	20	30		BCEDMN
C#CCN1CCC(N2CCNC2=O)CC1	ZINC000052216202	353192620	/nfs/dbraw/zinc/19/26/20/353192620.db2.gz	MXUGZLSUNARUJS-UHFFFAOYSA-N	0	1	207.277	0.109	20	30		BCEDMN
N#CCCNC([O-])=[NH+]C[C@H]1CCc2nccn2C1	ZINC000331013739	353212079	/nfs/dbraw/zinc/21/20/79/353212079.db2.gz	WTNBEHSOIOLDKN-SNVBAGLBSA-N	0	1	247.302	0.863	20	30		BCEDMN
C[C@H](CNC([O-])=[NH+]CCF)Cn1cccn1	ZINC000331236550	353235395	/nfs/dbraw/zinc/23/53/95/353235395.db2.gz	LSXNDRFVSLLUCB-SECBINFHSA-N	0	1	228.271	0.992	20	30		BCEDMN
C[C@H](C[NH+]=C([O-])NCCF)Cn1cccn1	ZINC000331236550	353235398	/nfs/dbraw/zinc/23/53/98/353235398.db2.gz	LSXNDRFVSLLUCB-SECBINFHSA-N	0	1	228.271	0.992	20	30		BCEDMN
N#CCCNC(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC000331157874	353223601	/nfs/dbraw/zinc/22/36/01/353223601.db2.gz	QJCCKWJVWJWCMA-SECBINFHSA-N	0	1	233.275	0.684	20	30		BCEDMN
N#Cc1csc(CNCCCOCCO)n1	ZINC000309545285	188167902	/nfs/dbraw/zinc/16/79/02/188167902.db2.gz	ZPLMJCLRXNONLA-UHFFFAOYSA-N	0	1	241.316	0.503	20	30		BCEDMN
CCC(=O)CCCN1CC[C@H](NC(=O)NC)C1	ZINC000331289783	353242596	/nfs/dbraw/zinc/24/25/96/353242596.db2.gz	AZUYZLGKEPQHJX-JTQLQIEISA-N	0	1	241.335	0.953	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)OC	ZINC000250204837	353269941	/nfs/dbraw/zinc/26/99/41/353269941.db2.gz	QBUNBFMTVYJHOW-VHSXEESVSA-N	0	1	242.319	0.418	20	30		BCEDMN
C#CCOc1ccccc1CNC[C@H](O)CO	ZINC000090282787	353382762	/nfs/dbraw/zinc/38/27/62/353382762.db2.gz	FLFXBRZEDVDNTP-LBPRGKRZSA-N	0	1	235.283	0.141	20	30		BCEDMN
C#CCN(C(=O)CCc1cnc[nH]1)C1CC1	ZINC000281645815	353445313	/nfs/dbraw/zinc/44/53/13/353445313.db2.gz	RAABOUYPECEOKC-UHFFFAOYSA-N	0	1	217.272	0.967	20	30		BCEDMN
C=CCNC(=O)CN1[C@H](C)CC(O)C[C@H]1C	ZINC000191286989	353455465	/nfs/dbraw/zinc/45/54/65/353455465.db2.gz	QJPVUSMSSHUCMC-NXEZZACHSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@@H](C)CO)C1=O	ZINC000282880182	353485529	/nfs/dbraw/zinc/48/55/29/353485529.db2.gz	VGSOXLLRVULFDF-UWVGGRQHSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@H](C)CN1CCOCC1	ZINC000351537531	133973370	/nfs/dbraw/zinc/97/33/70/133973370.db2.gz	RQVDJPBCSDQXBN-GFCCVEGCSA-N	0	1	240.347	0.989	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](OC)C[C@H]1C	ZINC000282320564	353474357	/nfs/dbraw/zinc/47/43/57/353474357.db2.gz	LAHAJQXCGHNHEI-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCN1C[C@H](OC)C[C@H]1c1nnc[nH]1	ZINC000284749897	353520774	/nfs/dbraw/zinc/52/07/74/353520774.db2.gz	YRZRVUISXMLOJW-BDAKNGLRSA-N	0	1	208.265	0.753	20	30		BCEDMN
C#CCN(C)CCn1ccc([N+](=O)[O-])n1	ZINC000192235863	353538446	/nfs/dbraw/zinc/53/84/46/353538446.db2.gz	UHCSRMHEGRUSFG-UHFFFAOYSA-N	0	1	208.221	0.356	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NOCC(N)=O	ZINC000135164006	353540495	/nfs/dbraw/zinc/54/04/95/353540495.db2.gz	SFIWCPYWOCRZRU-VIFPVBQESA-N	0	1	200.238	0.122	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCc1cn[nH]c1C	ZINC000289459324	353628401	/nfs/dbraw/zinc/62/84/01/353628401.db2.gz	CHNXJEHQSPBEPO-NSHDSACASA-N	0	1	223.276	0.661	20	30		BCEDMN
N#CC1(CN2CCC[C@H](CC(N)=O)C2)CC1	ZINC000343313453	353628680	/nfs/dbraw/zinc/62/86/80/353628680.db2.gz	IEVIPKODONREMB-SNVBAGLBSA-N	0	1	221.304	0.878	20	30		BCEDMN
C#Cc1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1	ZINC000289217946	353619524	/nfs/dbraw/zinc/61/95/24/353619524.db2.gz	JDAOFXJUQIVBDJ-CYBMUJFWSA-N	0	1	243.310	0.911	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCCN1CC=CCC1	ZINC000290327616	353660815	/nfs/dbraw/zinc/66/08/15/353660815.db2.gz	APRPQOMXWABVRA-CYBMUJFWSA-N	0	1	238.331	0.692	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000290433566	353663682	/nfs/dbraw/zinc/66/36/82/353663682.db2.gz	ANROBJQOEMBHEM-IUCAKERBSA-N	0	1	235.287	0.493	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000291227171	353683373	/nfs/dbraw/zinc/68/33/73/353683373.db2.gz	JZBDFGWYTAHHBS-OUAUKWLOSA-N	0	1	224.304	0.929	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000290469036	353656209	/nfs/dbraw/zinc/65/62/09/353656209.db2.gz	CYDFSFRWAALHPM-VIFPVBQESA-N	0	1	235.287	0.424	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000165785549	353701341	/nfs/dbraw/zinc/70/13/41/353701341.db2.gz	MXVHNSLCPWYMNU-NXEZZACHSA-N	0	1	241.360	0.842	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN1CCC(C)CC1	ZINC000178283043	366111690	/nfs/dbraw/zinc/11/16/90/366111690.db2.gz	KMFYEQVRQGESRI-LLVKDONJSA-N	0	1	223.320	0.994	20	30		BCEDMN
C#CCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296229367	353821187	/nfs/dbraw/zinc/82/11/87/353821187.db2.gz	PHROBXMKIUJAGI-AOOOYVTPSA-N	0	1	209.293	0.354	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCCN1CCCOCC1	ZINC000296836490	353828830	/nfs/dbraw/zinc/82/88/30/353828830.db2.gz	LPPUTBKVKIBDNM-LLVKDONJSA-N	0	1	239.319	0.030	20	30		BCEDMN
CCC[C@H](NC(=O)[C@H](C)C#N)c1nn[nH]n1	ZINC000343725316	353959208	/nfs/dbraw/zinc/95/92/08/353959208.db2.gz	JLQCUNVKDWEQHZ-RQJHMYQMSA-N	0	1	222.252	0.317	20	30		BCEDMN
C=C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343832484	354033797	/nfs/dbraw/zinc/03/37/97/354033797.db2.gz	XYPPUQDDAQUIAA-YFKPBYRVSA-N	0	1	210.193	0.622	20	30		BCEDMN
N#Cc1cc(C(=O)NCCN2CC=CCC2)c[nH]1	ZINC000280185916	181083590	/nfs/dbraw/zinc/08/35/90/181083590.db2.gz	IQXIGNHZYAPGME-UHFFFAOYSA-N	0	1	244.298	0.878	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@H](O)C(C)(C)C1	ZINC000279700474	166389194	/nfs/dbraw/zinc/38/91/94/166389194.db2.gz	GYPFWJZULRKTNY-UWVGGRQHSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCN([C@H](C)C(=O)NC(=O)NCC)C1CC1	ZINC000331754099	134001687	/nfs/dbraw/zinc/00/16/87/134001687.db2.gz	LFROVOBNXJZYQK-SECBINFHSA-N	0	1	239.319	0.871	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2cnc[nH]2)o1	ZINC000335593559	181100465	/nfs/dbraw/zinc/10/04/65/181100465.db2.gz	KRHFOJOKYBOIDG-UHFFFAOYSA-N	0	1	216.200	0.804	20	30		BCEDMN
N#Cc1ccc(CC(=O)NCCN2CCC2)cc1	ZINC000337317522	181102167	/nfs/dbraw/zinc/10/21/67/181102167.db2.gz	LSDAWMCCDUFZQX-UHFFFAOYSA-N	0	1	243.310	0.923	20	30		BCEDMN
N#Cc1ccc(CN2CCOC[C@H](O)C2)cc1	ZINC000294848112	181104565	/nfs/dbraw/zinc/10/45/65/181104565.db2.gz	RVCZLVPCASKNNW-CYBMUJFWSA-N	0	1	232.283	0.751	20	30		BCEDMN
N#Cc1ccc(CNC(CO)CO)c(F)c1	ZINC000083693623	181106881	/nfs/dbraw/zinc/10/68/81/181106881.db2.gz	DOUQCDYNMOWIMP-UHFFFAOYSA-N	0	1	224.235	0.140	20	30		BCEDMN
CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCNC1=O	ZINC000332676466	134006114	/nfs/dbraw/zinc/00/61/14/134006114.db2.gz	ROQSIYOTQSURTP-AEJSXWLSSA-N	0	1	207.277	0.499	20	30		BCEDMN
Cc1nnc(SCCC(=O)N[C@H](C)C#N)[nH]1	ZINC000344971031	354385851	/nfs/dbraw/zinc/38/58/51/354385851.db2.gz	QTCJQYGIRPECIA-ZCFIWIBFSA-N	0	1	239.304	0.624	20	30		BCEDMN
CCN1CCN(CC(=O)N[C@@H](C)CC#N)CC1	ZINC000344988810	354389087	/nfs/dbraw/zinc/38/90/87/354389087.db2.gz	IJAIHSYMGPDLPL-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
N#Cc1ccc(NC(=O)N2CCNCC2)cc1	ZINC000019256274	181118424	/nfs/dbraw/zinc/11/84/24/181118424.db2.gz	JSILRQXXFUMQFQ-UHFFFAOYSA-N	0	1	230.271	0.995	20	30		BCEDMN
N#Cc1cccc(C(=O)N2CCNCC2)c1	ZINC000019282214	181135749	/nfs/dbraw/zinc/13/57/49/181135749.db2.gz	PETUBDODDHRBNM-UHFFFAOYSA-N	0	1	215.256	0.604	20	30		BCEDMN
N#Cc1cccc(C(=O)NCc2nnc[nH]2)c1	ZINC000037920209	181135915	/nfs/dbraw/zinc/13/59/15/181135915.db2.gz	YFTOOUISQDUXFK-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
CC[N@@H+](C)CCNC(=O)NCCCC#N	ZINC000345355835	354628497	/nfs/dbraw/zinc/62/84/97/354628497.db2.gz	SEHHCPGHDYAVPP-UHFFFAOYSA-N	0	1	212.297	0.541	20	30		BCEDMN
Cc1cc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000611032727	358488514	/nfs/dbraw/zinc/48/85/14/358488514.db2.gz	RZPPTNXDFPYXIZ-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
C=CCCCN1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000345898618	354802183	/nfs/dbraw/zinc/80/21/83/354802183.db2.gz	CLNODESNIHKTFZ-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCN(C(C)C)CC1	ZINC000346160620	354872655	/nfs/dbraw/zinc/87/26/55/354872655.db2.gz	YZMRBKLRNKNDLJ-CYBMUJFWSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)CC[C@@H]2C1	ZINC000346456369	354948633	/nfs/dbraw/zinc/94/86/33/354948633.db2.gz	OLRFKFFSPKTCDF-NEPJUHHUSA-N	0	1	238.331	0.620	20	30		BCEDMN
C=CCOCCCNCc1ncnn1CC	ZINC000639317890	355713774	/nfs/dbraw/zinc/71/37/74/355713774.db2.gz	WULXQQCEJDYPBR-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
C=CCCCNC(=O)CCc1c[nH]nn1	ZINC000632797162	355967638	/nfs/dbraw/zinc/96/76/38/355967638.db2.gz	CQSIMAVOLHGTGW-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=CCCCNC(=O)CCc1cnn[nH]1	ZINC000632797162	355967642	/nfs/dbraw/zinc/96/76/42/355967642.db2.gz	CQSIMAVOLHGTGW-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
[O-]C(=[NH+][C@@H]1CCc2cn[nH]c2C1)N1CC(F)C1	ZINC000329766720	356116527	/nfs/dbraw/zinc/11/65/27/356116527.db2.gz	YNJPRXSTGDIQJJ-SECBINFHSA-N	0	1	238.266	0.835	20	30		BCEDMN
Cc1nnccc1NC(=O)N1CCCN(C)CC1	ZINC000330100301	356171303	/nfs/dbraw/zinc/17/13/03/356171303.db2.gz	DUCVAKSRSYLUHI-UHFFFAOYSA-N	0	1	249.318	0.968	20	30		BCEDMN
C=C(C)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000335912659	356135723	/nfs/dbraw/zinc/13/57/23/356135723.db2.gz	KUKSGZOULFLQIQ-SNVBAGLBSA-N	0	1	232.349	0.528	20	30		BCEDMN
C=CCN(C(=O)CN(C)C)[C@@H](C)COC	ZINC000617578651	356146961	/nfs/dbraw/zinc/14/69/61/356146961.db2.gz	NXENEXHSHDSUEG-JTQLQIEISA-N	0	1	214.309	0.598	20	30		BCEDMN
O=C(NCC1CC1)N1CCn2ncnc2C1	ZINC000329940524	356147675	/nfs/dbraw/zinc/14/76/75/356147675.db2.gz	UOSWUYZLKPTNEY-UHFFFAOYSA-N	0	1	221.264	0.418	20	30		BCEDMN
C[C@H]1OCC[C@H]1NC(=O)NCCN1CCC1	ZINC000330258888	356194721	/nfs/dbraw/zinc/19/47/21/356194721.db2.gz	MWGXXOKMYPWMMH-NXEZZACHSA-N	0	1	227.308	0.373	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)C[C@H]1CCCN1C	ZINC000420772753	192259411	/nfs/dbraw/zinc/25/94/11/192259411.db2.gz	VDHHOBUEUWVMKW-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
CC(C)N(CC(N)=O)CC1(CC#N)CC1	ZINC000088259399	356647488	/nfs/dbraw/zinc/64/74/88/356647488.db2.gz	ZZEXXKQNDUXNBD-UHFFFAOYSA-N	0	1	209.293	0.876	20	30		BCEDMN
Cc1n[nH]c(NC(=O)CSCC#N)n1	ZINC000112703123	134161167	/nfs/dbraw/zinc/16/11/67/134161167.db2.gz	KEAPHCUGQXBRBK-UHFFFAOYSA-N	0	1	211.250	0.308	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](O)C1	ZINC000114486413	134161600	/nfs/dbraw/zinc/16/16/00/134161600.db2.gz	KXSCWGLHROUNNG-VXGBXAGGSA-N	0	1	238.331	0.642	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000035297789	134161778	/nfs/dbraw/zinc/16/17/78/134161778.db2.gz	GNSZFAYASSIDOP-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000035297789	134161779	/nfs/dbraw/zinc/16/17/79/134161779.db2.gz	GNSZFAYASSIDOP-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)C[C@@H](C)OC	ZINC000353199204	134162460	/nfs/dbraw/zinc/16/24/60/134162460.db2.gz	BSYXGLOZRNXNRL-LLVKDONJSA-N	0	1	241.335	0.715	20	30		BCEDMN
C[C@H](NC(=O)CC(C)(C)C#N)c1nnc[nH]1	ZINC000354319356	134167657	/nfs/dbraw/zinc/16/76/57/134167657.db2.gz	ZZRUBPMUYGWQJB-ZETCQYMHSA-N	0	1	221.264	0.922	20	30		BCEDMN
C=C(C)COCCNC(=O)CCc1nc[nH]n1	ZINC000354891752	134170741	/nfs/dbraw/zinc/17/07/41/134170741.db2.gz	KQJQGDGJOSHPOY-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C=CCCCN1CCO[C@H](Cn2ccnn2)C1	ZINC000639862643	356871263	/nfs/dbraw/zinc/87/12/63/356871263.db2.gz	XMEFTJGCVAGKJI-LBPRGKRZSA-N	0	1	236.319	0.945	20	30		BCEDMN
CC#CCCN1CCC[C@H](NS(C)(=O)=O)C1	ZINC000155356683	538710228	/nfs/dbraw/zinc/71/02/28/538710228.db2.gz	LDDGVWWXEOQOFQ-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](O)C1	ZINC000114470637	134182867	/nfs/dbraw/zinc/18/28/67/134182867.db2.gz	ATQASYILKRPARR-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
CC[C@@H](O)[C@H]1CCCCN1CC(=O)NCC#N	ZINC000358210811	134187078	/nfs/dbraw/zinc/18/70/78/134187078.db2.gz	POFOVIUPXMVSEK-GHMZBOCLSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCCCNc1ccncc1C(N)=O	ZINC000389972209	357076151	/nfs/dbraw/zinc/07/61/51/357076151.db2.gz	CMGJGABLPRWXMZ-UHFFFAOYSA-N	0	1	205.261	0.981	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1	ZINC000358655601	134192237	/nfs/dbraw/zinc/19/22/37/134192237.db2.gz	ADDRAOIPNCSMMI-WZRBSPASSA-N	0	1	240.347	0.865	20	30		BCEDMN
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Cc1nc2n(n1)C[C@H](NCCC#N)CC2	ZINC000393620790	357290447	/nfs/dbraw/zinc/29/04/47/357290447.db2.gz	PQYCIFHMSZIALT-SECBINFHSA-N	0	1	205.265	0.405	20	30		BCEDMN
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C[C@H]1C[C@H]1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000600558370	369544638	/nfs/dbraw/zinc/54/46/38/369544638.db2.gz	UCXLNQZGUJSZBF-BQBZGAKWSA-N	0	1	205.217	0.064	20	30		BCEDMN
C[C@@H]1C[C@H]1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000600558373	369544697	/nfs/dbraw/zinc/54/46/97/369544697.db2.gz	UCXLNQZGUJSZBF-RQJHMYQMSA-N	0	1	205.217	0.064	20	30		BCEDMN
C[C@@H]1C[C@@H]1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000600558372	369544933	/nfs/dbraw/zinc/54/49/33/369544933.db2.gz	UCXLNQZGUJSZBF-RNFRBKRXSA-N	0	1	205.217	0.064	20	30		BCEDMN
N#Cc1cnnc(N2CC(N3CCCC3)C2)c1	ZINC000601194310	369604136	/nfs/dbraw/zinc/60/41/36/369604136.db2.gz	YDVXQCQWDJQQDY-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
CCN(CC)CC(=O)Nc1n[nH]cc1C#N	ZINC000601639017	369646768	/nfs/dbraw/zinc/64/67/68/369646768.db2.gz	GFBZYBJQYMXDQR-UHFFFAOYSA-N	0	1	221.264	0.562	20	30		BCEDMN
COC[C@H](CNCc1cccc(C#N)n1)OC	ZINC000602597476	369823251	/nfs/dbraw/zinc/82/32/51/369823251.db2.gz	QZNMSPYNMPPECA-LBPRGKRZSA-N	0	1	235.287	0.704	20	30		BCEDMN
CNC(=O)C[C@H](C)NCc1cccc(C#N)n1	ZINC000602685084	369841679	/nfs/dbraw/zinc/84/16/79/369841679.db2.gz	XWCSMSUJNKPGTC-VIFPVBQESA-N	0	1	232.287	0.567	20	30		BCEDMN
C[C@@H]1CCNC(=O)[C@@H]1NCc1cccc(C#N)n1	ZINC000602655426	369835070	/nfs/dbraw/zinc/83/50/70/369835070.db2.gz	KRTGOKXWNTZWIT-BXKDBHETSA-N	0	1	244.298	0.567	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000620590472	369942272	/nfs/dbraw/zinc/94/22/72/369942272.db2.gz	AIZXZPBIKMUORN-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
CCOC[C@H](O)CN[C@H](CC)CC#N	ZINC000308687907	370149959	/nfs/dbraw/zinc/14/99/59/370149959.db2.gz	QJLSMHRWTVOPKH-NXEZZACHSA-N	0	1	200.282	0.666	20	30		BCEDMN
Cc1cc(CNc2cc(C#N)ncn2)n[nH]1	ZINC000309690970	370244286	/nfs/dbraw/zinc/24/42/86/370244286.db2.gz	JIBNKRMEIXTYSS-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
N#Cc1ncccc1NCCc1nc[nH]n1	ZINC000130985057	370591333	/nfs/dbraw/zinc/59/13/33/370591333.db2.gz	WEFCKATVFQEQCJ-UHFFFAOYSA-N	0	1	214.232	0.726	20	30		BCEDMN
N#Cc1nccnc1NCCc1nc[nH]n1	ZINC000070646473	371050251	/nfs/dbraw/zinc/05/02/51/371050251.db2.gz	DIFFODIRUWVSBC-UHFFFAOYSA-N	0	1	215.220	0.121	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCc2nc[nH]c2C1	ZINC000627370897	371589144	/nfs/dbraw/zinc/58/91/44/371589144.db2.gz	PRZLSPUZMJQSOO-GFCCVEGCSA-N	0	1	235.287	0.622	20	30		BCEDMN
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H](C)N1C	ZINC000162539758	371707008	/nfs/dbraw/zinc/70/70/08/371707008.db2.gz	UZMMHYXYBMQDJB-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#Cc1ccc(NCCc2nc[nH]n2)cn1	ZINC000133495543	372062998	/nfs/dbraw/zinc/06/29/98/372062998.db2.gz	WINYILIGPDDWGE-UHFFFAOYSA-N	0	1	214.232	0.726	20	30		BCEDMN
C=CCOCCCNS(=O)(=O)c1ncc[nH]1	ZINC000632557342	373005505	/nfs/dbraw/zinc/00/55/05/373005505.db2.gz	LVLZJNUEJPBJHG-UHFFFAOYSA-N	0	1	245.304	0.281	20	30		BCEDMN
C=CCC(C)(C)CNC(=O)CCc1nn[nH]n1	ZINC000633196720	373336940	/nfs/dbraw/zinc/33/69/40/373336940.db2.gz	JHLYNRGTJNQXSS-UHFFFAOYSA-N	0	1	237.307	0.851	20	30		BCEDMN
C=CC(C)(C)CNC(=O)Cc1nnc[nH]1	ZINC000633306382	373463772	/nfs/dbraw/zinc/46/37/72/373463772.db2.gz	LOZWSHIMVAWMQM-UHFFFAOYSA-N	0	1	208.265	0.676	20	30		BCEDMN
C=CCNC(=O)CN(CCO)C1CCC1	ZINC000221145354	134317282	/nfs/dbraw/zinc/31/72/82/134317282.db2.gz	GKPMYDSXDGNDTI-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
CCN(C)CCNS(=O)(=O)CC1(C#N)CC1	ZINC000180410894	134326912	/nfs/dbraw/zinc/32/69/12/134326912.db2.gz	BQZGESVDKSSZDF-UHFFFAOYSA-N	0	1	245.348	0.161	20	30		BCEDMN
CC[C@H](C(N)=O)N1CCC(C)(C#N)CC1	ZINC000227353697	134378761	/nfs/dbraw/zinc/37/87/61/134378761.db2.gz	LZTZZSBXMUKUPT-SECBINFHSA-N	0	1	209.293	0.876	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1ccncc1C#N	ZINC000561325982	383900238	/nfs/dbraw/zinc/90/02/38/383900238.db2.gz	OMWPAXXMGCMJKM-UHFFFAOYSA-N	0	1	214.232	0.708	20	30		BCEDMN
CCN1CCCN(C(=O)CSCC#N)CC1	ZINC000363440527	384033171	/nfs/dbraw/zinc/03/31/71/384033171.db2.gz	AEPXXPKQWWMBLZ-UHFFFAOYSA-N	0	1	241.360	0.797	20	30		BCEDMN
CN(C)CC(=O)NCCc1cccc(C#N)c1	ZINC000340107015	384103120	/nfs/dbraw/zinc/10/31/20/384103120.db2.gz	WTFOCGJWZDCKKP-UHFFFAOYSA-N	0	1	231.299	0.779	20	30		BCEDMN
C#CCCCCNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000183284216	533031224	/nfs/dbraw/zinc/03/12/24/533031224.db2.gz	ZZVKKLSQQLSYEY-SECBINFHSA-N	0	1	235.291	0.968	20	30		BCEDMN
C#CCCCCNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000367800192	533032599	/nfs/dbraw/zinc/03/25/99/533032599.db2.gz	IMEOBTQNRVWSDR-UWVGGRQHSA-N	0	1	232.287	0.828	20	30		BCEDMN
CN(Cc1ccc(C#N)cc1)[C@H]1COC[C@@H]1O	ZINC000340283603	384147359	/nfs/dbraw/zinc/14/73/59/384147359.db2.gz	LZDRHGQMPHDWCR-STQMWFEESA-N	0	1	232.283	0.750	20	30		BCEDMN
CN(Cc1ccc(C#N)cc1)[C@@H]1COC[C@@H]1O	ZINC000340283599	384147969	/nfs/dbraw/zinc/14/79/69/384147969.db2.gz	LZDRHGQMPHDWCR-OLZOCXBDSA-N	0	1	232.283	0.750	20	30		BCEDMN
C[C@H](CO)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000135622634	384204845	/nfs/dbraw/zinc/20/48/45/384204845.db2.gz	ULEGPZNFKNPRNH-MFKMUULPSA-N	0	1	234.299	0.904	20	30		BCEDMN
C#CCCN1CCC[C@H](S(=O)(=O)NC)C1	ZINC000371205332	533050328	/nfs/dbraw/zinc/05/03/28/533050328.db2.gz	QVYSYYXQLBPIJB-JTQLQIEISA-N	0	1	230.333	0.023	20	30		BCEDMN
Cc1nc([C@@H]2CN(CC#N)CCO2)n[nH]1	ZINC000173662541	384250475	/nfs/dbraw/zinc/25/04/75/384250475.db2.gz	PNPOKAPJTOCYDT-QMMMGPOBSA-N	0	1	207.237	0.010	20	30		BCEDMN
C#CCCN1CCC[C@H](S(=O)(=O)N(C)C)C1	ZINC000375624489	533050873	/nfs/dbraw/zinc/05/08/73/533050873.db2.gz	OWWPFODQAJRXFX-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@](CC)(CO)C1	ZINC000187565099	384274844	/nfs/dbraw/zinc/27/48/44/384274844.db2.gz	YDRQASRZMONFKD-CYBMUJFWSA-N	0	1	240.347	0.773	20	30		BCEDMN
C=CC1CCN(C(=O)[C@H]2CNCCO2)CC1	ZINC000187757908	384306267	/nfs/dbraw/zinc/30/62/67/384306267.db2.gz	UBBYXWGMQBSBDU-LLVKDONJSA-N	0	1	224.304	0.399	20	30		BCEDMN
N#CCC(=O)N=c1[nH]c2ccccc2[nH]1	ZINC000083343339	384290981	/nfs/dbraw/zinc/29/09/81/384290981.db2.gz	XKZZIVCNJOJHOC-UHFFFAOYSA-N	0	1	200.201	0.837	20	30		BCEDMN
C=CCNC(=O)CN1CCC(CCO)CC1	ZINC000400927297	384357613	/nfs/dbraw/zinc/35/76/13/384357613.db2.gz	MPBOSJQRXCIFBX-UHFFFAOYSA-N	0	1	226.320	0.383	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2cncc(C#N)n2)C1	ZINC000401207218	384394426	/nfs/dbraw/zinc/39/44/26/384394426.db2.gz	KLDPSJRXYDHKLE-NSHDSACASA-N	0	1	246.318	0.006	20	30		BCEDMN
C#CCCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000367756988	533062803	/nfs/dbraw/zinc/06/28/03/533062803.db2.gz	JRLICIXIGOVQKL-VIFPVBQESA-N	0	1	232.287	0.590	20	30		BCEDMN
CN(C)[C@@H]1CCN(S(=O)(=O)CCCC#N)C1	ZINC000111339273	384611600	/nfs/dbraw/zinc/61/16/00/384611600.db2.gz	GBXDJBGBIAZQTJ-SNVBAGLBSA-N	0	1	245.348	0.256	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NC(=O)c1cnn[nH]1	ZINC000086558702	384661755	/nfs/dbraw/zinc/66/17/55/384661755.db2.gz	BEBXWLHKYAYXKR-RNFRBKRXSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=CCC[C@H](CO)NCc1ncnn1C	ZINC000320185287	384780660	/nfs/dbraw/zinc/78/06/60/384780660.db2.gz	AGNQAXXVEFHZDT-SECBINFHSA-N	0	1	210.281	0.232	20	30		BCEDMN
C#C[C@@H](C)N(C)CCCS(=O)(=O)N(C)C	ZINC000491792570	384732482	/nfs/dbraw/zinc/73/24/82/384732482.db2.gz	GNGXXFKFNWJMIA-SNVBAGLBSA-N	0	1	232.349	0.221	20	30		BCEDMN
C#CCNC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000491040608	384750889	/nfs/dbraw/zinc/75/08/89/384750889.db2.gz	VOYVURGYISBQLZ-UHFFFAOYSA-N	0	1	229.243	0.173	20	30		BCEDMN
Cn1cnnc1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188803349	384832478	/nfs/dbraw/zinc/83/24/78/384832478.db2.gz	AXPKRPUWHWIDCO-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC(=O)c1ncn[nH]1	ZINC000087444096	384794842	/nfs/dbraw/zinc/79/48/42/384794842.db2.gz	QVDIXTSBEGRLKR-NKWVEPMBSA-N	0	1	205.221	0.227	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC(=O)c1nc[nH]n1	ZINC000087444096	384794846	/nfs/dbraw/zinc/79/48/46/384794846.db2.gz	QVDIXTSBEGRLKR-NKWVEPMBSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCc1cnc[nH]1	ZINC000354369626	384871867	/nfs/dbraw/zinc/87/18/67/384871867.db2.gz	URENLCWGKSVGIG-JTQLQIEISA-N	0	1	209.249	0.353	20	30		BCEDMN
CC#CCCN1CC[C@@H](S(=O)(=O)NC)C1	ZINC000156850826	384989759	/nfs/dbraw/zinc/98/97/59/384989759.db2.gz	ZXSBYCPSVGCADY-SNVBAGLBSA-N	0	1	230.333	0.023	20	30		BCEDMN
N#CCCN1CCC[C@@H](c2nc[nH]n2)C1	ZINC000407947831	385084544	/nfs/dbraw/zinc/08/45/44/385084544.db2.gz	HHIBTZJIPISLGH-SECBINFHSA-N	0	1	205.265	0.898	20	30		BCEDMN
CC(C)c1cc(C(=O)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000106047457	385077336	/nfs/dbraw/zinc/07/73/36/385077336.db2.gz	JTRAXJOQFQMVSG-SECBINFHSA-N	0	1	248.286	0.898	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000408046968	385152229	/nfs/dbraw/zinc/15/22/29/385152229.db2.gz	NUVFPPMJDRXDTI-QMMMGPOBSA-N	0	1	247.302	0.576	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000408046968	385152232	/nfs/dbraw/zinc/15/22/32/385152232.db2.gz	NUVFPPMJDRXDTI-QMMMGPOBSA-N	0	1	247.302	0.576	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCSC(C)(C)C1	ZINC000177511794	385257633	/nfs/dbraw/zinc/25/76/33/385257633.db2.gz	JIUQIQFSDFFESV-JTQLQIEISA-N	0	1	240.372	0.952	20	30		BCEDMN
Cc1[nH]nc(NC(=O)CN(C)C(C)C)c1C#N	ZINC000287959879	385252921	/nfs/dbraw/zinc/25/29/21/385252921.db2.gz	INAJWUUYWUXCIN-UHFFFAOYSA-N	0	1	235.291	0.869	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)NCc1cn[nH]c1C	ZINC000491298155	385323912	/nfs/dbraw/zinc/32/39/12/385323912.db2.gz	UKYACWXHXJEMAP-NSHDSACASA-N	0	1	248.286	0.262	20	30		BCEDMN
C#CCN(CC1CCS(=O)(=O)CC1)C1CC1	ZINC000491276228	385296499	/nfs/dbraw/zinc/29/64/99/385296499.db2.gz	IEHRVDUEDDDYBC-UHFFFAOYSA-N	0	1	241.356	0.909	20	30		BCEDMN
OC[C@]1(O)CCCN(CC#Cc2ccccc2)C1	ZINC000313683306	385443086	/nfs/dbraw/zinc/44/30/86/385443086.db2.gz	PAODWBJCGCJRPO-HNNXBMFYSA-N	0	1	245.322	0.857	20	30		BCEDMN
C=CCCOCC(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000644086907	385438069	/nfs/dbraw/zinc/43/80/69/385438069.db2.gz	AEAMRCYOAKDUHN-PHIMTYICSA-N	0	1	226.320	0.788	20	30		BCEDMN
CN(C1CCN(C)CC1)S(=O)(=O)CCC#N	ZINC000408193979	385680739	/nfs/dbraw/zinc/68/07/39/385680739.db2.gz	VGBZVHFBWOUEBU-UHFFFAOYSA-N	0	1	245.348	0.256	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](O)C1	ZINC000302833788	385731937	/nfs/dbraw/zinc/73/19/37/385731937.db2.gz	RAGIHTXFWOWLJB-GHMZBOCLSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)CCCc1nn[nH]n1	ZINC000602095098	385765690	/nfs/dbraw/zinc/76/56/90/385765690.db2.gz	ZDIOGFYOWAUGQR-QMMMGPOBSA-N	0	1	236.279	0.283	20	30		BCEDMN
C=CCNC(=O)CN1CCC(C)(CO)CC1	ZINC000186897456	385812217	/nfs/dbraw/zinc/81/22/17/385812217.db2.gz	JKSUVHVPWFPPQG-UHFFFAOYSA-N	0	1	226.320	0.383	20	30		BCEDMN
CO/N=C/C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000283715543	385829928	/nfs/dbraw/zinc/82/99/28/385829928.db2.gz	KDWHNOJCPOHQAG-KEXZDQNZSA-N	0	1	224.264	0.398	20	30		BCEDMN
C#CCN1CCC(C(=O)NOC(C)C)CC1	ZINC000295488291	533147485	/nfs/dbraw/zinc/14/74/85/533147485.db2.gz	FHSLQGNHCQHONI-UHFFFAOYSA-N	0	1	224.304	0.788	20	30		BCEDMN
Cc1cc(C#N)nc(NCCc2nc[nH]n2)n1	ZINC000231940125	385897326	/nfs/dbraw/zinc/89/73/26/385897326.db2.gz	MZZDFGYCVIZPHU-UHFFFAOYSA-N	0	1	229.247	0.429	20	30		BCEDMN
CC(C)c1nnc(Cn2cnc(C#N)c2C#N)[nH]1	ZINC000291663868	385908473	/nfs/dbraw/zinc/90/84/73/385908473.db2.gz	PDMRUYOTHJSMLN-UHFFFAOYSA-N	0	1	241.258	0.916	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCC(F)(F)[C@H](CO)C1	ZINC000643387574	385948513	/nfs/dbraw/zinc/94/85/13/385948513.db2.gz	UJQIQDFMFRWLFB-UWVGGRQHSA-N	0	1	235.274	0.873	20	30		BCEDMN
CCC#C[C@H](C)N1CC[C@@H](NC(C)=O)C1	ZINC000643254191	385994193	/nfs/dbraw/zinc/99/41/93/385994193.db2.gz	ACUXYRSJKBBWMD-CMPLNLGQSA-N	0	1	208.305	0.999	20	30		BCEDMN
CCc1nc(CN(CC#N)C2CC2)n[nH]1	ZINC000274596393	386126851	/nfs/dbraw/zinc/12/68/51/386126851.db2.gz	LHKRNFOEVKMDRS-UHFFFAOYSA-N	0	1	205.265	0.855	20	30		BCEDMN
N#CCNC(=O)CCCCc1cn[nH]n1	ZINC000347032414	386223673	/nfs/dbraw/zinc/22/36/73/386223673.db2.gz	AIOXBOSDPCCIBU-UHFFFAOYSA-N	0	1	207.237	0.157	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C	ZINC000424933545	386224592	/nfs/dbraw/zinc/22/45/92/386224592.db2.gz	QUKGYKXDHNBWII-TUAOUCFPSA-N	0	1	238.331	0.788	20	30		BCEDMN
CSc1n[nH]c(NC(=O)[C@@H](C)C#N)n1	ZINC000347038200	386225963	/nfs/dbraw/zinc/22/59/63/386225963.db2.gz	OUMLHHPUYSQMPD-BYPYZUCNSA-N	0	1	211.250	0.625	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1cnccn1	ZINC000292679801	533162774	/nfs/dbraw/zinc/16/27/74/533162774.db2.gz	BTPLECJOYYSRFV-UHFFFAOYSA-N	0	1	232.287	0.048	20	30		BCEDMN
Cc1cc(C#N)ccc1C(=O)NCc1nnc[nH]1	ZINC000438979591	386199385	/nfs/dbraw/zinc/19/93/85/386199385.db2.gz	PHUCVOUVONVBEL-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
N#CC1(CN2[C@@H](CO)CC[C@@H]2CO)CC1	ZINC000347297552	386299282	/nfs/dbraw/zinc/29/92/82/386299282.db2.gz	WDMVBQCASODZLO-NXEZZACHSA-N	0	1	210.277	0.108	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)NC(=O)NCC	ZINC000057847819	386272141	/nfs/dbraw/zinc/27/21/41/386272141.db2.gz	LZMLSZGHIKOMKR-UHFFFAOYSA-N	0	1	227.308	0.730	20	30		BCEDMN
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CCC(C#N)(CC)C(=O)NCc1nn[n-]n1	ZINC000044933042	386338164	/nfs/dbraw/zinc/33/81/64/386338164.db2.gz	GMJQQHIDPKQCAC-UHFFFAOYSA-N	0	1	222.252	0.146	20	30		BCEDMN
CCC(C#N)(CC)C(=O)NCc1nn[nH]n1	ZINC000044933042	386338170	/nfs/dbraw/zinc/33/81/70/386338170.db2.gz	GMJQQHIDPKQCAC-UHFFFAOYSA-N	0	1	222.252	0.146	20	30		BCEDMN
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CCOC1CC(N(C)CC(=O)NCC#N)C1	ZINC000347406321	386390123	/nfs/dbraw/zinc/39/01/23/386390123.db2.gz	AYNVDSWEMHVCII-UHFFFAOYSA-N	0	1	225.292	0.125	20	30		BCEDMN
COc1cc([C@@H](C)NCC(=O)NCC#N)ccn1	ZINC000347559881	386451256	/nfs/dbraw/zinc/45/12/56/386451256.db2.gz	LLJJCTUQOVHYKY-SECBINFHSA-N	0	1	248.286	0.381	20	30		BCEDMN
C=CCOCCCC(=O)N1CCNC[C@H]1C	ZINC000124332406	386582307	/nfs/dbraw/zinc/58/23/07/386582307.db2.gz	SSKZWZPSPVDRMV-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
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C[C@@H](Cn1cccn1)[NH+]=C([O-])NCCCO	ZINC000330422366	386710967	/nfs/dbraw/zinc/71/09/67/386710967.db2.gz	YREOKSCHVGFBBC-VIFPVBQESA-N	0	1	226.280	0.158	20	30		BCEDMN
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Cc1n[nH]c(CCNC(=O)CC(C)(C)C#N)n1	ZINC000330450768	386741624	/nfs/dbraw/zinc/74/16/24/386741624.db2.gz	JPPTYCHPGKFWQH-UHFFFAOYSA-N	0	1	235.291	0.712	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H]1C[C@H](OC)CN1C	ZINC000330538082	386779677	/nfs/dbraw/zinc/77/96/77/386779677.db2.gz	FWWNBQNKJUSSQC-QWRGUYRKSA-N	0	1	239.319	0.468	20	30		BCEDMN
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[O-]C(=[NH+]CCn1cccn1)N1CC[C@H](CO)C1	ZINC000330807537	386895013	/nfs/dbraw/zinc/89/50/13/386895013.db2.gz	ICTXCJSHJAHRRH-JTQLQIEISA-N	0	1	238.291	0.111	20	30		BCEDMN
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CC(C)(C)c1nc(Cn2cnc(C#N)n2)n[nH]1	ZINC000292463097	387497125	/nfs/dbraw/zinc/49/71/25/387497125.db2.gz	PDQKFCJHZARMPW-UHFFFAOYSA-N	0	1	231.263	0.614	20	30		BCEDMN
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C#C[C@@H]1COCCN1C(=O)c1cc(C)[nH]n1	ZINC000491682488	388310732	/nfs/dbraw/zinc/31/07/32/388310732.db2.gz	RWUOERYMPKXTRC-SECBINFHSA-N	0	1	219.244	0.192	20	30		BCEDMN
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C#C[C@@H](C)N(C)C(=O)CCCCc1cn[nH]n1	ZINC000491711645	388314141	/nfs/dbraw/zinc/31/41/41/388314141.db2.gz	WWIYVSMCZVFPKA-SNVBAGLBSA-N	0	1	234.303	0.998	20	30		BCEDMN
C#C[C@@H](C)N(C)CCNC(=O)NC(C)C	ZINC000491731551	388315958	/nfs/dbraw/zinc/31/59/58/388315958.db2.gz	IQNPUGNXZIQUPT-SNVBAGLBSA-N	0	1	211.309	0.648	20	30		BCEDMN
C#C[C@@H](NC(=O)NCCN1CCC1)C(C)C	ZINC000491736621	388316404	/nfs/dbraw/zinc/31/64/04/388316404.db2.gz	UUGNTXSLYRVITC-LLVKDONJSA-N	0	1	223.320	0.649	20	30		BCEDMN
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C#CCN(CC#N)C(=O)CN1CC[C@H](C)C1	ZINC000491772758	388319325	/nfs/dbraw/zinc/31/93/25/388319325.db2.gz	UVYRTOIKJKERBI-NSHDSACASA-N	0	1	219.288	0.314	20	30		BCEDMN
C#CCN1CCSC[C@@H](C(=O)OC)C1	ZINC000491779861	388320509	/nfs/dbraw/zinc/32/05/09/388320509.db2.gz	JQUYSPBGONLMLL-VIFPVBQESA-N	0	1	213.302	0.458	20	30		BCEDMN
C#CCN(C)C(=O)[C@H](C)Cc1cnc[nH]1	ZINC000491802885	388321383	/nfs/dbraw/zinc/32/13/83/388321383.db2.gz	HOIUBXOEXXYRCR-SECBINFHSA-N	0	1	205.261	0.680	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2[C@H](C)C[C@@H]2C)CC1	ZINC000491039367	388266388	/nfs/dbraw/zinc/26/63/88/388266388.db2.gz	OERIEDLEMNTSBV-BETUJISGSA-N	0	1	249.358	0.247	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)C1=CCOCC1	ZINC000491103017	388269874	/nfs/dbraw/zinc/26/98/74/388269874.db2.gz	NUTXKJVONZUBCG-ZDUSSCGKSA-N	0	1	249.310	0.974	20	30		BCEDMN
C#CCNC(=O)c1ccc(CN(C)C)nc1	ZINC000491166737	388274377	/nfs/dbraw/zinc/27/43/77/388274377.db2.gz	UFSLDJHZQGMEMV-UHFFFAOYSA-N	0	1	217.272	0.506	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](NC(N)=O)C2)c1	ZINC000270577876	388358699	/nfs/dbraw/zinc/35/86/99/388358699.db2.gz	CHJOXOUKAXUPOQ-GFCCVEGCSA-N	0	1	244.298	0.801	20	30		BCEDMN
CN(C)CC(=O)N1CCC(CC#N)CC1	ZINC000335977110	388455519	/nfs/dbraw/zinc/45/55/19/388455519.db2.gz	PBPWQRNQCSVDJO-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2cc(C#N)cnn2)CCN1C	ZINC000596181724	388408133	/nfs/dbraw/zinc/40/81/33/388408133.db2.gz	DYBJNNPDOIPZEJ-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
COCCC1CCN(CC(=O)NCC#N)CC1	ZINC000528572340	388548465	/nfs/dbraw/zinc/54/84/65/388548465.db2.gz	ASLODYDSESIOJL-UHFFFAOYSA-N	0	1	239.319	0.375	20	30		BCEDMN
N#CCc1ccc(C[N@H+](CCO)CCCO)cc1	ZINC000343532247	388501526	/nfs/dbraw/zinc/50/15/26/388501526.db2.gz	PKKZHQFWPGJOPQ-UHFFFAOYSA-N	0	1	248.326	0.929	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1ncccc1C#N	ZINC000301377994	388612133	/nfs/dbraw/zinc/61/21/33/388612133.db2.gz	XFMAEPWRJGZKPE-UHFFFAOYSA-N	0	1	214.232	0.708	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1cccc(C#N)n1	ZINC000301559465	388613468	/nfs/dbraw/zinc/61/34/68/388613468.db2.gz	JUDPOHIBIXNVIL-UHFFFAOYSA-N	0	1	214.232	0.708	20	30		BCEDMN
Cn1cccc1C(=O)NC1(C#N)CCN(C)CC1	ZINC000521241306	388565503	/nfs/dbraw/zinc/56/55/03/388565503.db2.gz	FQNWLSJJMXBPFW-UHFFFAOYSA-N	0	1	246.314	0.743	20	30		BCEDMN
C=C(CC)CN1CCC[C@@H](S(=O)(=O)NC)C1	ZINC000538012773	388675954	/nfs/dbraw/zinc/67/59/54/388675954.db2.gz	JOCPICRQTHLLDC-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000551046736	388620196	/nfs/dbraw/zinc/62/01/96/388620196.db2.gz	MWLVEHLATLSEHK-NSHDSACASA-N	0	1	239.363	0.703	20	30		BCEDMN
COC(=O)[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1	ZINC000276757753	388741732	/nfs/dbraw/zinc/74/17/32/388741732.db2.gz	MGBJTBHBJWOIEU-NSHDSACASA-N	0	1	247.298	0.892	20	30		BCEDMN
CC[N@@H+](CCNC(=O)[C@H](C)C#N)C1CC1	ZINC000227633568	388754901	/nfs/dbraw/zinc/75/49/01/388754901.db2.gz	SFCAGCOGWLYGJL-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=C(C)COCCNC(=O)c1cnn[nH]1	ZINC000126068335	388687357	/nfs/dbraw/zinc/68/73/57/388687357.db2.gz	KCZHHLRSTMLYFQ-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C#CCNC(=O)NCCCCN1CCOCC1	ZINC000193120661	388693164	/nfs/dbraw/zinc/69/31/64/388693164.db2.gz	QEBIQEUDFXFXCQ-UHFFFAOYSA-N	0	1	239.319	0.031	20	30		BCEDMN
C#CCNC(=O)NCCCc1cn[nH]c1C	ZINC000193218150	388695891	/nfs/dbraw/zinc/69/58/91/388695891.db2.gz	DRDHVHIHWJCGEX-UHFFFAOYSA-N	0	1	220.276	0.583	20	30		BCEDMN
N#Cc1ncn(CCNCc2ccc(F)cn2)n1	ZINC000529566554	388710203	/nfs/dbraw/zinc/71/02/03/388710203.db2.gz	QTTDMNALHJVVED-UHFFFAOYSA-N	0	1	246.249	0.474	20	30		BCEDMN
N#Cc1c(F)cccc1C(=O)NCc1nnc[nH]1	ZINC000426648240	388712182	/nfs/dbraw/zinc/71/21/82/388712182.db2.gz	QAVBJBDHRARQAW-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(CC)CCOC	ZINC000270816952	135365011	/nfs/dbraw/zinc/36/50/11/135365011.db2.gz	XRJIGRFXELEQLM-JTQLQIEISA-N	0	1	214.309	0.645	20	30		BCEDMN
CN1CCC[C@@H](N2CCC(C#N)CC2)C1=O	ZINC000539811871	388779542	/nfs/dbraw/zinc/77/95/42/388779542.db2.gz	OMRDNANEZOOGPE-LLVKDONJSA-N	0	1	221.304	0.843	20	30		BCEDMN
Cc1cc(C(=O)N2CC(N(C)C)C2)ncc1C#N	ZINC000331988618	388780852	/nfs/dbraw/zinc/78/08/52/388780852.db2.gz	PEVHKYZYKZWTQN-UHFFFAOYSA-N	0	1	244.298	0.648	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000541017260	388836259	/nfs/dbraw/zinc/83/62/59/388836259.db2.gz	DCZXAXMQQNOTME-MXWKQRLJSA-N	0	1	238.335	0.928	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000541017263	388836774	/nfs/dbraw/zinc/83/67/74/388836774.db2.gz	DCZXAXMQQNOTME-VWYCJHECSA-N	0	1	238.335	0.928	20	30		BCEDMN
CN(CC#N)C(=O)c1cccc2nn[nH]c21	ZINC000541892101	388873974	/nfs/dbraw/zinc/87/39/74/388873974.db2.gz	LVDPHWRSSCKFMO-UHFFFAOYSA-N	0	1	215.216	0.553	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](OC(C)C)C1	ZINC000564915752	388897106	/nfs/dbraw/zinc/89/71/06/388897106.db2.gz	CCKVKKWSUUBPKG-LLVKDONJSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H]1CCN(C)C1	ZINC000336620586	533527985	/nfs/dbraw/zinc/52/79/85/533527985.db2.gz	IYXVGOATKWSLFO-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
C=C(C)CN1CC[C@H](NS(C)(=O)=O)C1	ZINC000116891661	533512737	/nfs/dbraw/zinc/51/27/37/533512737.db2.gz	JMBFWUSGSCEJTR-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
CCC(C#N)(CC)C(=O)N1CCNCC1	ZINC000044765649	168260361	/nfs/dbraw/zinc/26/03/61/168260361.db2.gz	SAPHNZUSCYSAGY-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@H](O)CN1CCN(c2ccc(C#N)nc2)CC1	ZINC000267441686	132190010	/nfs/dbraw/zinc/19/00/10/132190010.db2.gz	YUMUPKXYFNMRST-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
CCN1CCN(c2ccc(C#N)nn2)CC1	ZINC000031977345	132389910	/nfs/dbraw/zinc/38/99/10/132389910.db2.gz	CRNXHQJVYDTBHK-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000330416906	134061008	/nfs/dbraw/zinc/06/10/08/134061008.db2.gz	ODSBPIFLEVNTRK-GFCCVEGCSA-N	0	1	248.330	0.984	20	30		BCEDMN
Cc1ncc(C(=O)N2CC(C)(C#N)C2)[nH]1	ZINC000336316513	134143353	/nfs/dbraw/zinc/14/33/53/134143353.db2.gz	ICLMSKPCQYZAIC-UHFFFAOYSA-N	0	1	204.233	0.704	20	30		BCEDMN
N#C[C@@H](NC(=O)CCCCc1cn[nH]n1)C1CC1	ZINC000352440783	134145028	/nfs/dbraw/zinc/14/50/28/134145028.db2.gz	PYZKDVQXOZQTBL-LLVKDONJSA-N	0	1	247.302	0.936	20	30		BCEDMN
Cc1nnc(NC(=O)CSCC#N)[nH]1	ZINC000112703123	134161166	/nfs/dbraw/zinc/16/11/66/134161166.db2.gz	KEAPHCUGQXBRBK-UHFFFAOYSA-N	0	1	211.250	0.308	20	30		BCEDMN
CO[C@H](C)CN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000353255861	134162865	/nfs/dbraw/zinc/16/28/65/134162865.db2.gz	PSRCOLKFJFVYAO-MNOVXSKESA-N	0	1	241.335	0.714	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CCc1cnc[nH]1	ZINC000356635950	134178989	/nfs/dbraw/zinc/17/89/89/134178989.db2.gz	PRMXEVRTEMAWIZ-MRVPVSSYSA-N	0	1	206.249	0.761	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000357071226	134182117	/nfs/dbraw/zinc/18/21/17/134182117.db2.gz	KPBKCAPZVGVICB-JTQLQIEISA-N	0	1	235.291	0.907	20	30		BCEDMN
CC#CCCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000359143403	134193946	/nfs/dbraw/zinc/19/39/46/134193946.db2.gz	MDBICHXYPYJASH-JTQLQIEISA-N	0	1	246.314	0.980	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)C(C)C#N	ZINC000359103037	134194016	/nfs/dbraw/zinc/19/40/16/134194016.db2.gz	KCSLELCHEIMQPR-AEJSXWLSSA-N	0	1	238.287	0.946	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCCOCC1	ZINC000363152826	134215258	/nfs/dbraw/zinc/21/52/58/134215258.db2.gz	DHWXBIKGYRXROO-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCCN1CCO[C@H]([C@H]2CCCO2)C1	ZINC000371209495	134228103	/nfs/dbraw/zinc/22/81/03/134228103.db2.gz	URYMTGPEZFZNTE-NEPJUHHUSA-N	0	1	209.289	0.890	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1CCCc2c[nH]nc21	ZINC000371267834	134228259	/nfs/dbraw/zinc/22/82/59/134228259.db2.gz	DVKOTNGTMNPTFP-GFCCVEGCSA-N	0	1	241.294	0.925	20	30		BCEDMN
CN(C)[C@@]1(C(=O)NCC#N)CCCSC1	ZINC000373088592	134233454	/nfs/dbraw/zinc/23/34/54/134233454.db2.gz	SXIKAQQJLKZVQB-JTQLQIEISA-N	0	1	227.333	0.454	20	30		BCEDMN
CN1C[C@H]2CN(CCCCC#N)CCN2C1=O	ZINC000373233109	134233618	/nfs/dbraw/zinc/23/36/18/134233618.db2.gz	VQGNDGHDERPNRH-NSHDSACASA-N	0	1	236.319	0.732	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)[C@H](C)CO	ZINC000305742987	134242317	/nfs/dbraw/zinc/24/23/17/134242317.db2.gz	SYPMSAZZEFGWNU-SNVBAGLBSA-N	0	1	227.308	0.061	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000376878298	134243537	/nfs/dbraw/zinc/24/35/37/134243537.db2.gz	TUXJXNXOQSWYKF-IUCAKERBSA-N	0	1	233.275	0.670	20	30		BCEDMN
CC(C)N1CCO[C@@H](C(=O)N(C)CCC#N)C1	ZINC000377073623	134243679	/nfs/dbraw/zinc/24/36/79/134243679.db2.gz	OZIHELCTKUGUHE-LLVKDONJSA-N	0	1	239.319	0.468	20	30		BCEDMN
CCN(CC(=O)N1CCOC[C@@H]1C#N)C1CC1	ZINC000179176633	134317950	/nfs/dbraw/zinc/31/79/50/134317950.db2.gz	RPMZZJPFBCDDAP-NSHDSACASA-N	0	1	237.303	0.222	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(C#N)CC2)C[C@H]1C	ZINC000408110534	134394983	/nfs/dbraw/zinc/39/49/83/134394983.db2.gz	RFIYBPCFXYOGMK-NEPJUHHUSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCNC(=O)CN1CCCO[C@@H]2CCC[C@@H]21	ZINC000363412593	134399109	/nfs/dbraw/zinc/39/91/09/134399109.db2.gz	QXKIVACJRFBVPA-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN(CCOC)C(=O)c1cc(C)[nH]n1	ZINC000191961331	134578246	/nfs/dbraw/zinc/57/82/46/134578246.db2.gz	OEFXYAUZXMECKZ-UHFFFAOYSA-N	0	1	223.276	0.993	20	30		BCEDMN
C=CCN1CC[C@@H](N[C@@](C)(CC)C(N)=O)C1=O	ZINC000337189392	135004121	/nfs/dbraw/zinc/00/41/21/135004121.db2.gz	RMGNEPYNRHHVAN-SKDRFNHKSA-N	0	1	239.319	0.017	20	30		BCEDMN
C=CCN1CC[C@H](N[C@](C)(CC)C(N)=O)C1=O	ZINC000337189391	135004126	/nfs/dbraw/zinc/00/41/26/135004126.db2.gz	RMGNEPYNRHHVAN-JOYOIKCWSA-N	0	1	239.319	0.017	20	30		BCEDMN
C=CCN1CC[C@@H](N[C@@H](C)c2cn[nH]c2)C1=O	ZINC000337198995	135005762	/nfs/dbraw/zinc/00/57/62/135005762.db2.gz	DNQAAPUXMMSPKS-GXSJLCMTSA-N	0	1	234.303	0.847	20	30		BCEDMN
C=CCC[C@H](O)CN1CCOC[C@H]1C[C@H](C)O	ZINC000248633192	135016993	/nfs/dbraw/zinc/01/69/93/135016993.db2.gz	SAKRWOMKZLNADX-XQQFMLRXSA-N	0	1	243.347	0.785	20	30		BCEDMN
N#CCNC(=O)c1n[nH]nc1-c1ccccc1	ZINC000338416868	135036012	/nfs/dbraw/zinc/03/60/12/135036012.db2.gz	UBKHSSGIXYTNGE-UHFFFAOYSA-N	0	1	227.227	0.725	20	30		BCEDMN
C=CCCN1CCN(c2nccn(C)c2=O)CC1	ZINC000338544110	135039221	/nfs/dbraw/zinc/03/92/21/135039221.db2.gz	KDDVLYRXBTUKPY-UHFFFAOYSA-N	0	1	248.330	0.478	20	30		BCEDMN
CN(C)C(=O)[C@@H]1CCCN1CCOCCC#N	ZINC000338909002	135048098	/nfs/dbraw/zinc/04/80/98/135048098.db2.gz	FWZOPGUBVWIOQW-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
C=CCOCCN(C)[C@H](C)C[S@](C)=O	ZINC000339082360	135057166	/nfs/dbraw/zinc/05/71/66/135057166.db2.gz	CYPQUQKZYBAPFS-YGRLFVJLSA-N	0	1	219.350	0.888	20	30		BCEDMN
C[C@@H]1CCN(CCOCCC#N)[C@H](C(N)=O)C1	ZINC000339100195	135059729	/nfs/dbraw/zinc/05/97/29/135059729.db2.gz	VUTZMDRJODHMHR-MNOVXSKESA-N	0	1	239.319	0.502	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCc3n[nH]nc3C2)C1	ZINC000339119996	135059751	/nfs/dbraw/zinc/05/97/51/135059751.db2.gz	VXBWTIDQZMVUDW-BDAKNGLRSA-N	0	1	217.276	0.855	20	30		BCEDMN
C=CCOCC(=O)N1[C@H](C)CN(C)C[C@H]1C	ZINC000339475672	135074075	/nfs/dbraw/zinc/07/40/75/135074075.db2.gz	ZTTGDZNWHNFSKY-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
CC[C@H](C#N)NC(=O)Cc1cc(C)n[nH]1	ZINC000260262039	135147354	/nfs/dbraw/zinc/14/73/54/135147354.db2.gz	XUOBVCHHVUXKOD-MRVPVSSYSA-N	0	1	206.249	0.679	20	30		BCEDMN
C[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000340432991	135181508	/nfs/dbraw/zinc/18/15/08/135181508.db2.gz	IXVDLNCKUMWGPA-HTQZYQBOSA-N	0	1	218.260	0.858	20	30		BCEDMN
C=CCN(C)Cc1nc(C(C)(C)N)no1	ZINC000261563838	135206411	/nfs/dbraw/zinc/20/64/11/135206411.db2.gz	CBYBBQRXIQOOSC-UHFFFAOYSA-N	0	1	210.281	0.881	20	30		BCEDMN
CC#CCNC(=O)c1[nH]nc2c1CCC2	ZINC000121329955	135222647	/nfs/dbraw/zinc/22/26/47/135222647.db2.gz	XAHYNRLMTFFJHM-UHFFFAOYSA-N	0	1	203.245	0.652	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@H](O)C[C@@H]1C	ZINC000340921310	135232181	/nfs/dbraw/zinc/23/21/81/135232181.db2.gz	KYBPSZKKTGUCAZ-WDEREUQCSA-N	0	1	239.319	0.204	20	30		BCEDMN
N#C[C@H]1CSCCN1C(=O)c1cnc[nH]1	ZINC000342217761	135253178	/nfs/dbraw/zinc/25/31/78/135253178.db2.gz	MVUXFFWSEMEZPK-ZETCQYMHSA-N	0	1	222.273	0.491	20	30		BCEDMN
N#CCN(CC#N)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000342689509	135305508	/nfs/dbraw/zinc/30/55/08/135305508.db2.gz	RYEMGJZQSYOLDR-VIFPVBQESA-N	0	1	243.270	0.705	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000334170958	135318154	/nfs/dbraw/zinc/31/81/54/135318154.db2.gz	BJZHBXCXPFDJIU-LURJTMIESA-N	0	1	204.233	0.540	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCN(C)CC[C@H]1C	ZINC000334166499	135323431	/nfs/dbraw/zinc/32/34/31/135323431.db2.gz	AQJIULIILQCLQG-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](O)[C@H]1C	ZINC000295851482	135379906	/nfs/dbraw/zinc/37/99/06/135379906.db2.gz	DJVHXVPVDMVOJZ-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C[C@H](NC(=O)NCCCC#N)c1nnc[nH]1	ZINC000345808893	135899357	/nfs/dbraw/zinc/89/93/57/135899357.db2.gz	CSDYYOHMCKSPKF-ZETCQYMHSA-N	0	1	222.252	0.469	20	30		BCEDMN
C=CCOCCC[N@H+]1CCO[C@@H](C(=O)NC)C1	ZINC000348047096	136030278	/nfs/dbraw/zinc/03/02/78/136030278.db2.gz	LBXUZMRKHREOEW-LLVKDONJSA-N	0	1	242.319	0.026	20	30		BCEDMN
C=CCOCCCN1CCO[C@@H](C(=O)NC)C1	ZINC000348047096	136030279	/nfs/dbraw/zinc/03/02/79/136030279.db2.gz	LBXUZMRKHREOEW-LLVKDONJSA-N	0	1	242.319	0.026	20	30		BCEDMN
C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)N(C)C	ZINC000589981345	397811272	/nfs/dbraw/zinc/81/12/72/397811272.db2.gz	KGVRVRQRBVUWSO-KWQFWETISA-N	0	1	209.293	0.745	20	30		BCEDMN
C[C@H](C(=O)N[C@H](C#N)CO)N1CCCCCC1	ZINC000597746047	398017301	/nfs/dbraw/zinc/01/73/01/398017301.db2.gz	HOCYYZLWJLASCN-GHMZBOCLSA-N	0	1	239.319	0.252	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)CC(C)(C)C#N	ZINC000598159576	398027688	/nfs/dbraw/zinc/02/76/88/398027688.db2.gz	JPDWZORWVNUAHI-UHFFFAOYSA-N	0	1	223.320	0.946	20	30		BCEDMN
COC(=O)COC[C@H](C)NCC1(C#N)CCC1	ZINC000418138496	397988706	/nfs/dbraw/zinc/98/87/06/397988706.db2.gz	GGEGIHUJYAIGBY-JTQLQIEISA-N	0	1	240.303	0.848	20	30		BCEDMN
C#C[C@H](NC(=O)N1CCNCC1)C(C)C	ZINC000491769012	398067775	/nfs/dbraw/zinc/06/77/75/398067775.db2.gz	MCTYTMCRJQXKSD-JTQLQIEISA-N	0	1	209.293	0.259	20	30		BCEDMN
C=CCNC(=O)CN(CC)[C@@H]1CCCOC1	ZINC000649759750	398088983	/nfs/dbraw/zinc/08/89/83/398088983.db2.gz	USLITLATNCYUSF-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)C[N@@H+](CC)CCOCC(=O)[O-]	ZINC000572008667	398129377	/nfs/dbraw/zinc/12/93/77/398129377.db2.gz	YIIHFFQMLXUAQS-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C#CCC(C)(C)C(=O)N1CC(N(C)C)C1	ZINC000274586617	166116229	/nfs/dbraw/zinc/11/62/29/166116229.db2.gz	ZQVJWRMGCUVMEW-UHFFFAOYSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCN(C)C(=O)CCSc1nnc(C)[nH]1	ZINC000276568443	166155782	/nfs/dbraw/zinc/15/57/82/166155782.db2.gz	BCBWYXHTBSWMLI-UHFFFAOYSA-N	0	1	238.316	0.687	20	30		BCEDMN
C#CCCCN1CCN(C)C(=O)C1(C)C	ZINC000161138464	166129894	/nfs/dbraw/zinc/12/98/94/166129894.db2.gz	RCCJYQLZXAHGRF-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCCN1CCN(Cc2ncnn2CC)CC1	ZINC000278959916	166137651	/nfs/dbraw/zinc/13/76/51/166137651.db2.gz	ZYKKHEXBNNGDSR-UHFFFAOYSA-N	0	1	247.346	0.439	20	30		BCEDMN
C#CCCNC(=O)NCCCc1cn[nH]c1C	ZINC000264975714	166141329	/nfs/dbraw/zinc/14/13/29/166141329.db2.gz	HNFCLEUMCJHVMU-UHFFFAOYSA-N	0	1	234.303	0.973	20	30		BCEDMN
C#CCN[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000272990781	166191154	/nfs/dbraw/zinc/19/11/54/166191154.db2.gz	KWBSBQPGHUHOFJ-NSHDSACASA-N	0	1	220.247	0.445	20	30		BCEDMN
C=CCCN(C)CC(=O)NCCOCC	ZINC000276472716	166257852	/nfs/dbraw/zinc/25/78/52/166257852.db2.gz	RVENDLFVIGLZAV-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CCNCC1	ZINC000159449295	166272864	/nfs/dbraw/zinc/27/28/64/166272864.db2.gz	DMPWTMJSYXLNAO-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)Cc1nnc[nH]1	ZINC000177546236	166296820	/nfs/dbraw/zinc/29/68/20/166296820.db2.gz	KEZMVOOCWIKDNV-SECBINFHSA-N	0	1	210.281	0.564	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCC[C@H]1C(=O)OC	ZINC000268574019	166297404	/nfs/dbraw/zinc/29/74/04/166297404.db2.gz	RVDYBVFJBBLASR-MNOVXSKESA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)[C@H]1CCN(C)C1=O	ZINC000268597150	166298315	/nfs/dbraw/zinc/29/83/15/166298315.db2.gz	WTXKCZMWXQUFKX-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCN(CC=C)C(=O)C[C@H]1COCCN1	ZINC000087508430	166327633	/nfs/dbraw/zinc/32/76/33/166327633.db2.gz	YYQNSYMAMROSBW-NSHDSACASA-N	0	1	224.304	0.566	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CCC[C@@H](O)C1	ZINC000042975613	166327860	/nfs/dbraw/zinc/32/78/60/166327860.db2.gz	OLVWAEMULZUBOT-GFCCVEGCSA-N	0	1	238.331	0.644	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@@](C)(O)C1	ZINC000177976217	166328142	/nfs/dbraw/zinc/32/81/42/166328142.db2.gz	NKYVFFTWJMQZNN-CYBMUJFWSA-N	0	1	238.331	0.644	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@H](OC)C1	ZINC000267668746	166328642	/nfs/dbraw/zinc/32/86/42/166328642.db2.gz	OESLGHJXUWYYKK-LBPRGKRZSA-N	0	1	238.331	0.908	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H]1CCC[C@@H]1O	ZINC000352659909	166365683	/nfs/dbraw/zinc/36/56/83/166365683.db2.gz	LOHGRQISMHDMRO-UWVGGRQHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)CN1CCC(C)(O)CC1	ZINC000087781420	166365194	/nfs/dbraw/zinc/36/51/94/166365194.db2.gz	BCTRNRKNDVMBSI-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1CC	ZINC000292474289	166376992	/nfs/dbraw/zinc/37/69/92/166376992.db2.gz	RPOJYXMFASYHTR-NXEZZACHSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)[O-]	ZINC000038022010	166382009	/nfs/dbraw/zinc/38/20/09/166382009.db2.gz	HTPJCSIFTFHQLS-SECBINFHSA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)[O-]	ZINC000038022010	166382010	/nfs/dbraw/zinc/38/20/10/166382010.db2.gz	HTPJCSIFTFHQLS-SECBINFHSA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+](C)CCCC(=O)NC	ZINC000154763839	166382189	/nfs/dbraw/zinc/38/21/89/166382189.db2.gz	NAYGZJSHUZKDEC-SNVBAGLBSA-N	0	1	241.335	0.135	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(C)(C)O	ZINC000086274780	166382408	/nfs/dbraw/zinc/38/24/08/166382408.db2.gz	ZHXZHLYXVKUKQU-SNVBAGLBSA-N	0	1	228.336	0.770	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@@H](O)C(C)(C)C1	ZINC000279700475	166388750	/nfs/dbraw/zinc/38/87/50/166388750.db2.gz	GYPFWJZULRKTNY-VHSXEESVSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCCNC(=O)N(C)CC1CN(C)C1	ZINC000661564778	410846239	/nfs/dbraw/zinc/84/62/39/410846239.db2.gz	FEBKLPJGXODVCJ-UHFFFAOYSA-N	0	1	211.309	0.766	20	30		BCEDMN
N#CC[C@]1(O)CCN(c2ncnc3[nH]cnc32)C1	ZINC000591977425	411131915	/nfs/dbraw/zinc/13/19/15/411131915.db2.gz	YLDJVUHPSHNFSL-NSHDSACASA-N	0	1	244.258	0.208	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000331124588	411163638	/nfs/dbraw/zinc/16/36/38/411163638.db2.gz	CROIWIOOSXCPRN-DTWKUNHWSA-N	0	1	235.287	0.493	20	30		BCEDMN
C#CC[N@@H+](C)CC(=O)[N-]OCc1ccccc1	ZINC000192231879	411186234	/nfs/dbraw/zinc/18/62/34/411186234.db2.gz	ZYTMELVWHHQPAI-UHFFFAOYSA-N	0	1	232.283	0.799	20	30		BCEDMN
C#CC[N@H+](C)CC(=O)[N-]OCc1ccccc1	ZINC000192231879	411186237	/nfs/dbraw/zinc/18/62/37/411186237.db2.gz	ZYTMELVWHHQPAI-UHFFFAOYSA-N	0	1	232.283	0.799	20	30		BCEDMN
Cc1nc2cccc(C(=O)N[C@H](C#N)CO)c2[nH]1	ZINC000597736853	411209955	/nfs/dbraw/zinc/20/99/55/411209955.db2.gz	GZDYFIKDSXHAQJ-MRVPVSSYSA-N	0	1	244.254	0.486	20	30		BCEDMN
CCC#C[C@H](C)N1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000656581496	411303985	/nfs/dbraw/zinc/30/39/85/411303985.db2.gz	YFWSOMISKXYIBN-SRVKXCTJSA-N	0	1	236.315	0.378	20	30		BCEDMN
C=CCn1cc(C(=O)N2CCCN(C)CC2)nn1	ZINC000648714116	411317337	/nfs/dbraw/zinc/31/73/37/411317337.db2.gz	URGVQTPKLGQCPE-UHFFFAOYSA-N	0	1	249.318	0.242	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCCCOCC	ZINC000662166172	411370339	/nfs/dbraw/zinc/37/03/39/411370339.db2.gz	UKKJPCZIOJKPDL-WDEREUQCSA-N	0	1	244.335	0.054	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)c1cncnc1C	ZINC000658334917	411343245	/nfs/dbraw/zinc/34/32/45/411343245.db2.gz	XTIVXJKWXFJTRZ-NXEZZACHSA-N	0	1	207.277	0.983	20	30		BCEDMN
C=C[C@@H](C)NC(=O)[C@@H](N)COC(C)C	ZINC000659261187	411383152	/nfs/dbraw/zinc/38/31/52/411383152.db2.gz	XYSVFXSCKCNCOC-BDAKNGLRSA-N	0	1	200.282	0.429	20	30		BCEDMN
COCC#CCN1CCC[C@@H]2COC[C@@H]21	ZINC000657294437	411455494	/nfs/dbraw/zinc/45/54/94/411455494.db2.gz	CGSZFPHVVIQMIV-NEPJUHHUSA-N	0	1	209.289	0.747	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](C)CCO)nn1	ZINC000657368707	411480586	/nfs/dbraw/zinc/48/05/86/411480586.db2.gz	RPFPSRJQTXKRGL-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCNC(=O)CNCc1cnn2c1CCC2	ZINC000657429458	411507535	/nfs/dbraw/zinc/50/75/35/411507535.db2.gz	PYZFLHSXMUHIBQ-UHFFFAOYSA-N	0	1	234.303	0.221	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2C[C@@H](C(N)=O)C2)nn1	ZINC000657501165	411538419	/nfs/dbraw/zinc/53/84/19/411538419.db2.gz	RIPAEOUVJFXEIF-AOOOYVTPSA-N	0	1	249.318	0.208	20	30		BCEDMN
C=C(C)CNC(=O)N(C)CC1CN(C)C1	ZINC000661047264	411692667	/nfs/dbraw/zinc/69/26/67/411692667.db2.gz	KEGJMZBSAGPVLE-UHFFFAOYSA-N	0	1	211.309	0.766	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)Cc1cnc[nH]1	ZINC000661085773	411695858	/nfs/dbraw/zinc/69/58/58/411695858.db2.gz	PWCYEKVNUSBIGG-SECBINFHSA-N	0	1	222.292	0.532	20	30		BCEDMN
C=CC[N@H+](CCC(=O)[O-])[C@H](C)COC	ZINC000661244246	411743561	/nfs/dbraw/zinc/74/35/61/411743561.db2.gz	SGTPMDOUJLZLDA-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
CCc1nc(C#N)cc(NCCN2CCC2)n1	ZINC000596175324	411782423	/nfs/dbraw/zinc/78/24/23/411782423.db2.gz	RKEZCZYZXXXSTH-UHFFFAOYSA-N	0	1	231.303	1.028	20	30		BCEDMN
C[C@@H](C#N)C(=O)Nc1cc(-c2nccn2C)n[nH]1	ZINC000435714384	411804545	/nfs/dbraw/zinc/80/45/45/411804545.db2.gz	QOVNQFQHINUNCX-ZETCQYMHSA-N	0	1	244.258	0.908	20	30		BCEDMN
C[C@@H](Nc1ccc(C#N)cn1)C1N=NC(=O)N1C	ZINC000601186805	411829791	/nfs/dbraw/zinc/82/97/91/411829791.db2.gz	BGPWJSKXEFCZRJ-SSDOTTSWSA-N	0	1	244.258	0.960	20	30		BCEDMN
C#CCN1CCC[C@H](c2ccnc(N)n2)C1	ZINC000368456033	411848660	/nfs/dbraw/zinc/84/86/60/411848660.db2.gz	WSGJRUABVKGXCF-JTQLQIEISA-N	0	1	216.288	0.871	20	30		BCEDMN
C=CCN1CCC[C@@H](c2nnc(N)o2)C1	ZINC000639822341	411851054	/nfs/dbraw/zinc/85/10/54/411851054.db2.gz	SIEBGCULVKVYBR-MRVPVSSYSA-N	0	1	208.265	1.017	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](C)[C@@](C)(CO)C1	ZINC000662138502	411999757	/nfs/dbraw/zinc/99/97/57/411999757.db2.gz	WTXQJDZMJNDEEZ-CMPLNLGQSA-N	0	1	226.320	0.239	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N(CC)CC	ZINC000662165331	412014777	/nfs/dbraw/zinc/01/47/77/412014777.db2.gz	DTCHHTJSGZIVNC-NXEZZACHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)[O-])C1	ZINC000662215121	412027065	/nfs/dbraw/zinc/02/70/65/412027065.db2.gz	GBNDRTBIADKJFV-SNVBAGLBSA-N	0	1	240.303	0.475	20	30		BCEDMN
C=CCCNC(=O)NCc1n[nH]c(CC)n1	ZINC000664973602	412055854	/nfs/dbraw/zinc/05/58/54/412055854.db2.gz	QKDPBANRAFGIGM-UHFFFAOYSA-N	0	1	223.280	0.742	20	30		BCEDMN
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1	ZINC000662635105	412251253	/nfs/dbraw/zinc/25/12/53/412251253.db2.gz	JMDVXSDRWXWJMD-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H](N)COC(C)C)CC1	ZINC000662828785	412313632	/nfs/dbraw/zinc/31/36/32/412313632.db2.gz	ZLEQXOCPZIXTHC-NSHDSACASA-N	0	1	226.320	0.917	20	30		BCEDMN
Cc1cc(NC(=O)N[C@H](C)c2nnc[nH]2)nn1C	ZINC000329469287	412321620	/nfs/dbraw/zinc/32/16/20/412321620.db2.gz	XZDPIFXISSJQNL-SSDOTTSWSA-N	0	1	249.278	0.934	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CNCCO1)[C@@H](C)COC	ZINC000662856144	412326061	/nfs/dbraw/zinc/32/60/61/412326061.db2.gz	ZVLFCKJRRQNLRP-QWRGUYRKSA-N	0	1	242.319	0.024	20	30		BCEDMN
Cc1cc(NC(=O)CCNC[C@H](C)C#N)no1	ZINC000565535461	412342593	/nfs/dbraw/zinc/34/25/93/412342593.db2.gz	HVCLVBDNBQOMAU-MRVPVSSYSA-N	0	1	236.275	1.061	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(CC(C)C)CC1	ZINC000665531161	412350224	/nfs/dbraw/zinc/35/02/24/412350224.db2.gz	QTCAHNMZNOXMFX-LLVKDONJSA-N	0	1	226.320	0.334	20	30		BCEDMN
CN1CCN(CCNc2nccnc2C#N)CC1	ZINC000054377515	173081556	/nfs/dbraw/zinc/08/15/56/173081556.db2.gz	UIOAIPYAGFAIMD-UHFFFAOYSA-N	0	1	246.318	0.008	20	30		BCEDMN
COCCN(CCO)Cc1cc(C#N)n(C)c1	ZINC000191311301	174293843	/nfs/dbraw/zinc/29/38/43/174293843.db2.gz	OJAGHMNRRRIZMW-UHFFFAOYSA-N	0	1	237.303	0.337	20	30		BCEDMN
COCCN1CC[C@H](Nc2nccnc2C#N)C1	ZINC000264663654	174315592	/nfs/dbraw/zinc/31/55/92/174315592.db2.gz	ZBFHXPXEOVZZPS-JTQLQIEISA-N	0	1	247.302	0.481	20	30		BCEDMN
C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278622811	177033401	/nfs/dbraw/zinc/03/34/01/177033401.db2.gz	FYBOAZPWIFETFK-WQAKAFBOSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](O)[C@@H](O)C1	ZINC000278622811	177033403	/nfs/dbraw/zinc/03/34/03/177033403.db2.gz	FYBOAZPWIFETFK-WQAKAFBOSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](O)[C@H](O)C1	ZINC000278757438	177035512	/nfs/dbraw/zinc/03/55/12/177035512.db2.gz	MKVHEMKKUGJESV-OASPWFOLSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H](NC(=O)c1ccc(C#N)nc1)c1nnc[nH]1	ZINC000479624986	225191717	/nfs/dbraw/zinc/19/17/17/225191717.db2.gz	YMYYSTWSVUARGO-ZETCQYMHSA-N	0	1	242.242	0.562	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2nnc[nH]2)s1	ZINC000487234107	229178938	/nfs/dbraw/zinc/17/89/38/229178938.db2.gz	ICAKZDIYXHVNGD-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
CC#CCCCC(=O)NCc1nn[nH]n1	ZINC000681044302	487704076	/nfs/dbraw/zinc/70/40/76/487704076.db2.gz	HMCJQUOPPXZHCW-UHFFFAOYSA-N	0	1	207.237	0.010	20	30		BCEDMN
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CC[C@@H](CC#N)NC[C@@H]1CCCNC1=O	ZINC000572778171	323068267	/nfs/dbraw/zinc/06/82/67/323068267.db2.gz	ABTFCSFJCDYUKF-UWVGGRQHSA-N	0	1	209.293	0.794	20	30		BCEDMN
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CNS(=O)(=O)[C@@H]1CCN([C@H](C)CCC#N)C1	ZINC000572527662	324190693	/nfs/dbraw/zinc/19/06/93/324190693.db2.gz	HEQFAKVZZYUANF-NXEZZACHSA-N	0	1	245.348	0.302	20	30		BCEDMN
CC(C)n1cc([C@H](C)NCC(=O)NCC#N)cn1	ZINC000542573331	325035540	/nfs/dbraw/zinc/03/55/40/325035540.db2.gz	OQNCRHQJOSGUQO-JTQLQIEISA-N	0	1	249.318	0.754	20	30		BCEDMN
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C=CCNC(=O)NC(=O)[C@H](C)N1[C@H](C)C[C@H]1C	ZINC000547768573	325394253	/nfs/dbraw/zinc/39/42/53/325394253.db2.gz	AWGMZPLLLOEPEK-BBBLOLIVSA-N	0	1	239.319	0.869	20	30		BCEDMN
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COCC#CCN(C)CCn1cccn1	ZINC000677817206	487506742	/nfs/dbraw/zinc/50/67/42/487506742.db2.gz	IWIVHOJLJMQSSF-UHFFFAOYSA-N	0	1	207.277	0.465	20	30		BCEDMN
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CC#CC[C@@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000655161010	488005918	/nfs/dbraw/zinc/00/59/18/488005918.db2.gz	QVYLUTSLDIZYMR-NEPJUHHUSA-N	0	1	238.331	0.219	20	30		BCEDMN
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C=CC[C@]1(C(=O)N(C)Cc2nnc[n-]2)CCC[NH2+]1	ZINC000662736601	490145651	/nfs/dbraw/zinc/14/56/51/490145651.db2.gz	HTLOBARYUWXNBQ-GFCCVEGCSA-N	0	1	249.318	0.461	20	30		BCEDMN
COC(=O)[C@@](C)(O)CN1CCC(C)(C#N)CC1	ZINC000408183918	490165118	/nfs/dbraw/zinc/16/51/18/490165118.db2.gz	VBAYMDXNTSMZBP-LBPRGKRZSA-N	0	1	240.303	0.536	20	30		BCEDMN
C=CCCNC(=O)N1CCNC(C)(C)C1	ZINC000659561666	490355124	/nfs/dbraw/zinc/35/51/24/490355124.db2.gz	QOTQFRYSDSKXDC-UHFFFAOYSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CC[C@@H](O)[C@H]1C	ZINC000650186237	491097867	/nfs/dbraw/zinc/09/78/67/491097867.db2.gz	FEGUBICWDBFKMI-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
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C=C(Cl)CNC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000378481160	534445925	/nfs/dbraw/zinc/44/59/25/534445925.db2.gz	COJKQJBCXUIMRD-NKWVEPMBSA-N	0	1	226.667	0.777	20	30		BCEDMN
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C=C[C@@H](CO)NC(=O)c1ccc2[nH]nnc2c1	ZINC000356828335	534535935	/nfs/dbraw/zinc/53/59/35/534535935.db2.gz	CHDJWQIMNWVXAW-QMMMGPOBSA-N	0	1	232.243	0.235	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1cccc2nc[nH]c21	ZINC000356851149	534536296	/nfs/dbraw/zinc/53/62/96/534536296.db2.gz	CSWRCIBVISTGDZ-QMMMGPOBSA-N	0	1	231.255	0.840	20	30		BCEDMN
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C#CCN(C)C(=O)CN(C)[C@@H]1CCSC1	ZINC000491708596	526789502	/nfs/dbraw/zinc/78/95/02/526789502.db2.gz	QGCPCBHINDMJKM-SNVBAGLBSA-N	0	1	226.345	0.515	20	30		BCEDMN
C#CCN[C@](C)(CO)c1cccc(O)c1	ZINC000309020351	527061119	/nfs/dbraw/zinc/06/11/19/527061119.db2.gz	WPWVMDCYEJTFBX-GFCCVEGCSA-N	0	1	205.257	0.823	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000491644780	527205465	/nfs/dbraw/zinc/20/54/65/527205465.db2.gz	LNXSKXVOBIDPOX-ZJUUUORDSA-N	0	1	246.314	0.930	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccccc1	ZINC000491415129	527260889	/nfs/dbraw/zinc/26/08/89/527260889.db2.gz	GPMUUKZCRPIZIR-RYUDHWBXSA-N	0	1	205.257	0.304	20	30		BCEDMN
C#C[C@@H](NC(=O)N1CCN[C@H](C)C1)C(C)C	ZINC000491667246	527272690	/nfs/dbraw/zinc/27/26/90/527272690.db2.gz	HYPSTIYXJNKNCL-GHMZBOCLSA-N	0	1	223.320	0.648	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CCc1cnc[nH]1	ZINC000490711971	527348460	/nfs/dbraw/zinc/34/84/60/527348460.db2.gz	BVQQXJTTYFLSIA-SECBINFHSA-N	0	1	205.261	0.870	20	30		BCEDMN
CC1(C)NC(=O)CC[C@@H]1NCC1(C#N)CC1	ZINC000335606871	534969565	/nfs/dbraw/zinc/96/95/65/534969565.db2.gz	ZWBZCODOFPOEFB-VIFPVBQESA-N	0	1	221.304	0.937	20	30		BCEDMN
CC[C@@H](O)CCCNC(=O)c1cnn[nH]1	ZINC000331027878	535810314	/nfs/dbraw/zinc/81/03/14/535810314.db2.gz	WIUZOJPRURGEFI-SSDOTTSWSA-N	0	1	212.253	0.660	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N(CCC#N)CCC#N	ZINC000264976804	536387862	/nfs/dbraw/zinc/38/78/62/536387862.db2.gz	IOZKJHZWLIVCTM-NSHDSACASA-N	0	1	234.303	0.737	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N(CC#N)C1CC1	ZINC000336617493	536387924	/nfs/dbraw/zinc/38/79/24/536387924.db2.gz	HMHNOMGSWUUTGR-JTQLQIEISA-N	0	1	207.277	0.595	20	30		BCEDMN
CN1CCC[C@]2(CCN(CCC#N)C2)C1=O	ZINC000372572019	536395444	/nfs/dbraw/zinc/39/54/44/536395444.db2.gz	OYHFDLLRSDBWIU-GFCCVEGCSA-N	0	1	221.304	0.844	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)c1[nH]nc(C)c1C	ZINC000269595543	536616384	/nfs/dbraw/zinc/61/63/84/536616384.db2.gz	NTSWGAXKBNSZMV-NSHDSACASA-N	0	1	236.275	0.685	20	30		BCEDMN
COC[C@@H](O)CN1CCC(F)(C#N)CC1	ZINC000352441858	536730205	/nfs/dbraw/zinc/73/02/05/536730205.db2.gz	FKTITMZHLJLWST-VIFPVBQESA-N	0	1	216.256	0.321	20	30		BCEDMN
COCC1(C#N)CCN(C(=O)CN(C)C)CC1	ZINC000357091969	536799296	/nfs/dbraw/zinc/79/92/96/536799296.db2.gz	GNLUYBRVYRHALB-UHFFFAOYSA-N	0	1	239.319	0.327	20	30		BCEDMN
CN1C[C@H](NC[C@H](C#N)CCC#N)CCC1=O	ZINC000574962375	566326147	/nfs/dbraw/zinc/32/61/47/566326147.db2.gz	QVUDTAKRDNAWQU-WDEREUQCSA-N	0	1	234.303	0.640	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCc1n[nH]c(C)n1	ZINC000889701578	583301467	/nfs/dbraw/zinc/30/14/67/583301467.db2.gz	ZGJAADRTTYEFOB-UHFFFAOYSA-N	0	1	230.218	0.941	20	30		BCEDMN
C#Cc1cccnc1NCCN1CCN(C)CC1	ZINC000853106846	588720774	/nfs/dbraw/zinc/72/07/74/588720774.db2.gz	JMVBUIKVAGYDGO-UHFFFAOYSA-N	0	1	244.342	0.722	20	30		BCEDMN
C[C@@H](OC(=O)c1cc(C#N)cn1C)c1nnc[nH]1	ZINC000853221151	588726033	/nfs/dbraw/zinc/72/60/33/588726033.db2.gz	QTNJWGJJXFNOPM-SSDOTTSWSA-N	0	1	245.242	0.933	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853226222	588727240	/nfs/dbraw/zinc/72/72/40/588727240.db2.gz	UYMLUQZAHVPUAS-YIZRAAEISA-N	0	1	237.259	1.000	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cc3n(n2)CCC3)N1	ZINC000853330156	588733567	/nfs/dbraw/zinc/73/35/67/588733567.db2.gz	JZLXPRPUKJKVGE-MRVPVSSYSA-N	0	1	232.291	0.101	20	30		BCEDMN
C[C@@H](O)CNN=Cc1ccnn1-c1ccncc1	ZINC000853351030	588736773	/nfs/dbraw/zinc/73/67/73/588736773.db2.gz	SJENRCXKUZWGLR-SNVBAGLBSA-N	0	1	245.286	0.572	20	30		BCEDMN
C[C@H](O)CNN=Cc1ccnn1-c1ccncc1	ZINC000853351029	588736934	/nfs/dbraw/zinc/73/69/34/588736934.db2.gz	SJENRCXKUZWGLR-JTQLQIEISA-N	0	1	245.286	0.572	20	30		BCEDMN
Cn1nncc1NN=Cc1nnn(C(C)(C)C)n1	ZINC000853352014	588736977	/nfs/dbraw/zinc/73/69/77/588736977.db2.gz	CICODKISSGVJAB-UHFFFAOYSA-N	0	1	249.282	0.003	20	30		BCEDMN
CC(=NNc1cnnn1C)c1cnc[nH]1	ZINC000853352500	588737091	/nfs/dbraw/zinc/73/70/91/588737091.db2.gz	WPQICBIVNHTGOT-UHFFFAOYSA-N	0	1	205.225	0.374	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ccncc1F	ZINC000853402008	588741081	/nfs/dbraw/zinc/74/10/81/588741081.db2.gz	KZBAQZDAMNXNCJ-MRVPVSSYSA-N	0	1	222.267	0.992	20	30		BCEDMN
CCn1nncc1CN=Nc1nnc(C)n1C	ZINC000853431083	588741818	/nfs/dbraw/zinc/74/18/18/588741818.db2.gz	PKGSUAKVNBPVMV-UHFFFAOYSA-N	0	1	234.267	0.181	20	30		BCEDMN
C#Cc1cccnc1N1CCN(CCO)[C@@H](C)C1	ZINC000853486403	588745496	/nfs/dbraw/zinc/74/54/96/588745496.db2.gz	WHRLEAWQNGANGF-LBPRGKRZSA-N	0	1	245.326	0.566	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCCN1CCC1	ZINC000854074914	588773562	/nfs/dbraw/zinc/77/35/62/588773562.db2.gz	WBYXQSXAZWVWLI-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCCCc1nc[nH]n1	ZINC000854077920	588773715	/nfs/dbraw/zinc/77/37/15/588773715.db2.gz	DVEFUVMROWIIRI-SECBINFHSA-N	0	1	235.291	0.448	20	30		BCEDMN
C=C(C)CONC(=O)NCCCc1nc[nH]n1	ZINC000854218219	588779720	/nfs/dbraw/zinc/77/97/20/588779720.db2.gz	UHLPBFFWZVSKHQ-UHFFFAOYSA-N	0	1	239.279	0.544	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@H]1CCCCN1CC	ZINC000854547501	588793097	/nfs/dbraw/zinc/79/30/97/588793097.db2.gz	WOBVOYOUZBWDFR-VXGBXAGGSA-N	0	1	238.331	0.361	20	30		BCEDMN
CN(C)c1ncc(C=[NH+][N-]c2ncn[nH]2)n1C	ZINC000811650079	582480406	/nfs/dbraw/zinc/48/04/06/582480406.db2.gz	KCCBEZTWHXXOFJ-UHFFFAOYSA-N	0	1	234.267	0.050	20	30		BCEDMN
C#CCOc1ccc(CNCC(=O)NCC)cc1	ZINC000113314140	588831208	/nfs/dbraw/zinc/83/12/08/588831208.db2.gz	FFZUGWCXSBWYAR-UHFFFAOYSA-N	0	1	246.310	0.924	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)CCc1nn[nH]n1	ZINC000890655777	582494993	/nfs/dbraw/zinc/49/49/93/582494993.db2.gz	QFVQEAGTJLHMDP-SECBINFHSA-N	0	1	233.275	0.147	20	30		BCEDMN
CCN(C(=O)C=NOC)[C@H]1CC[N@@H+](CC)C1	ZINC000855485473	588837791	/nfs/dbraw/zinc/83/77/91/588837791.db2.gz	CRUILVYYUTUMTB-JTQLQIEISA-N	0	1	227.308	0.561	20	30		BCEDMN
C#CCNC(=O)CN(CC)CCOCC	ZINC000113427449	588839035	/nfs/dbraw/zinc/83/90/35/588839035.db2.gz	FQLMUUQCTHZVPH-UHFFFAOYSA-N	0	1	212.293	0.094	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N1CCN2CCC1CC2	ZINC000845616108	582616642	/nfs/dbraw/zinc/61/66/42/582616642.db2.gz	GOKLCLKTQQSXRR-JTQLQIEISA-N	0	1	239.319	0.982	20	30		BCEDMN
C[C@H](C#N)N(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000855585699	588840312	/nfs/dbraw/zinc/84/03/12/588840312.db2.gz	BFABAAXBLHBQEP-SSDOTTSWSA-N	0	1	234.259	0.642	20	30		BCEDMN
C#CCONC(=O)[C@](C)(C=C)CCOC	ZINC000855607078	588841617	/nfs/dbraw/zinc/84/16/17/588841617.db2.gz	WHHDCDJLHAWNBR-LLVKDONJSA-N	0	1	211.261	0.896	20	30		BCEDMN
C#Cc1ccc(C(=O)N(C)CC2CN(C)C2)cn1	ZINC000855638284	588842662	/nfs/dbraw/zinc/84/26/62/588842662.db2.gz	ACEWVOIVSOQBHY-UHFFFAOYSA-N	0	1	243.310	0.697	20	30		BCEDMN
CCCn1cc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000779794205	582732357	/nfs/dbraw/zinc/73/23/57/582732357.db2.gz	DSUORVHIWGQGOZ-VIFPVBQESA-N	0	1	234.307	0.564	20	30		BCEDMN
C=CCCONC(=O)Cc1nonc1C	ZINC000856027327	588855313	/nfs/dbraw/zinc/85/53/13/588855313.db2.gz	IKRDLWKSQYWGOJ-UHFFFAOYSA-N	0	1	211.221	0.544	20	30		BCEDMN
C#C[C@H](N[C@H]1CCN(CC)C1=O)[C@@H]1CCCO1	ZINC000851951110	582984472	/nfs/dbraw/zinc/98/44/72/582984472.db2.gz	UXAVYUREUMPHNJ-SRVKXCTJSA-N	0	1	236.315	0.378	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@H]1C[N@H+]2CCN1CCC2	ZINC000856033307	583114060	/nfs/dbraw/zinc/11/40/60/583114060.db2.gz	CCHDNGVYRWNWOL-LLVKDONJSA-N	0	1	239.319	0.000	20	30		BCEDMN
C#CCSCC(=O)NC[C@H]1CCN1CC	ZINC000893869467	583241668	/nfs/dbraw/zinc/24/16/68/583241668.db2.gz	ANGWNWWZMZWSHD-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
C#CCN(CC)C[C@@H]1[C@H](C(=O)OC)C1(F)F	ZINC000893975833	583265296	/nfs/dbraw/zinc/26/52/96/583265296.db2.gz	HYKSYFYJQOBVTK-RKDXNWHRSA-N	0	1	231.242	0.996	20	30		BCEDMN
C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)o3)[C@@H]2C1	ZINC000814145968	583342968	/nfs/dbraw/zinc/34/29/68/583342968.db2.gz	PMUJWTJGGWAMCY-GXSJLCMTSA-N	0	1	245.282	0.927	20	30		BCEDMN
COC(=O)CCN(CC#N)Cc1cn[nH]c1C	ZINC000877709378	583344818	/nfs/dbraw/zinc/34/48/18/583344818.db2.gz	WHKFVVDHYZHJRS-UHFFFAOYSA-N	0	1	236.275	0.607	20	30		BCEDMN
Cc1ccc(NN=Cc2cn(C)[nH]c2=O)nn1	ZINC000814222080	583348542	/nfs/dbraw/zinc/34/85/42/583348542.db2.gz	XFPUUTWBFUGARR-UHFFFAOYSA-N	0	1	232.247	0.670	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cc(C)no2)CC1	ZINC000726789562	583374748	/nfs/dbraw/zinc/37/47/48/583374748.db2.gz	MNCSWPQRQXHOOI-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCCOCC2)C1=O	ZINC000334816489	583439150	/nfs/dbraw/zinc/43/91/50/583439150.db2.gz	PXJYCEUKDYEJNW-LLVKDONJSA-N	0	1	224.304	0.496	20	30		BCEDMN
C=CCCCNC(=O)NCc1n[nH]c(C)n1	ZINC000894512240	583475260	/nfs/dbraw/zinc/47/52/60/583475260.db2.gz	UPLZVPSKXVZSGR-UHFFFAOYSA-N	0	1	223.280	0.879	20	30		BCEDMN
C[C@H](C1CC1)N1CCN(C(=O)CC#N)CC1	ZINC000895065653	583577854	/nfs/dbraw/zinc/57/78/54/583577854.db2.gz	GCJDSGVKKKDFLY-SNVBAGLBSA-N	0	1	221.304	0.843	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cn2cccnc2n1	ZINC000895096700	583588370	/nfs/dbraw/zinc/58/83/70/583588370.db2.gz	BSIVOMOOEUALNC-LLVKDONJSA-N	0	1	244.298	0.593	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3cccc(C#N)n3)C2)n1	ZINC000895328304	583651586	/nfs/dbraw/zinc/65/15/86/583651586.db2.gz	MQLZLUQADWMHBD-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
Cc1nc(C2CN(c3cccc(C#N)n3)C2)n[nH]1	ZINC000895328304	583651587	/nfs/dbraw/zinc/65/15/87/583651587.db2.gz	MQLZLUQADWMHBD-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
COC(=O)CCN(CC#N)Cc1cnc[nH]1	ZINC000895454309	583677694	/nfs/dbraw/zinc/67/76/94/583677694.db2.gz	JPQPPFVBPPUULQ-UHFFFAOYSA-N	0	1	222.248	0.298	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1cn(CC)nn1	ZINC000896035126	583764455	/nfs/dbraw/zinc/76/44/55/583764455.db2.gz	NMXFCLDONOXAFB-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN1C	ZINC000896619080	583818127	/nfs/dbraw/zinc/81/81/27/583818127.db2.gz	JHLHIWMYWFBABR-RYUDHWBXSA-N	0	1	235.331	0.888	20	30		BCEDMN
C[C@]1(C#N)CN(c2ncnc3nc[nH]c32)CCO1	ZINC000896856463	583840228	/nfs/dbraw/zinc/84/02/28/583840228.db2.gz	GPTDFITYEAAUSA-NSHDSACASA-N	0	1	244.258	0.472	20	30		BCEDMN
CC#CCNC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897254306	583903629	/nfs/dbraw/zinc/90/36/29/583903629.db2.gz	PXZSJTQXZPCUFI-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
CC#CCNC(=O)[C@H]1CCN1C(C)(C)C	ZINC000897254307	583903744	/nfs/dbraw/zinc/90/37/44/583903744.db2.gz	PXZSJTQXZPCUFI-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#Cc1ccc(C(=O)Nc2nnc(C)[nH]2)nc1	ZINC000728865598	583931566	/nfs/dbraw/zinc/93/15/66/583931566.db2.gz	FNYLVTAEPNPYDP-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
C#Cc1ccc(C(=O)Nc2nc(C)n[nH]2)nc1	ZINC000728865598	583931569	/nfs/dbraw/zinc/93/15/69/583931569.db2.gz	FNYLVTAEPNPYDP-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000219522733	583946011	/nfs/dbraw/zinc/94/60/11/583946011.db2.gz	MOVOTFUOLDDGIX-VHSXEESVSA-N	0	1	240.303	0.474	20	30		BCEDMN
C#CCN(C(=O)C1CN([C@@H]2CCOC2)C1)C1CC1	ZINC000897404316	583951499	/nfs/dbraw/zinc/95/14/99/583951499.db2.gz	BOJVVIFXHOXGAI-CYBMUJFWSA-N	0	1	248.326	0.331	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1cc[nH]n1	ZINC000858334397	588946776	/nfs/dbraw/zinc/94/67/76/588946776.db2.gz	WEKFCDUURHAHPE-SNVBAGLBSA-N	0	1	207.277	0.928	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000897648654	584034688	/nfs/dbraw/zinc/03/46/88/584034688.db2.gz	CZVXEDQCGJWOCZ-WDEREUQCSA-N	0	1	240.347	0.912	20	30		BCEDMN
C#CC1(O)CN(Cc2n[nH]c(C)c2C)C1	ZINC000898147460	584086993	/nfs/dbraw/zinc/08/69/93/584086993.db2.gz	OTXGTEXUBPUEPO-UHFFFAOYSA-N	0	1	205.261	0.206	20	30		BCEDMN
C#CC1(O)CN(Cc2cc(F)cc(F)c2O)C1	ZINC000898147440	584087312	/nfs/dbraw/zinc/08/73/12/584087312.db2.gz	OGXRRKUDCCDZBL-UHFFFAOYSA-N	0	1	239.221	0.850	20	30		BCEDMN
C#CCN(C(=O)NCc1n[nH]c(C)n1)C1CC1	ZINC000898353135	584112066	/nfs/dbraw/zinc/11/20/66/584112066.db2.gz	AZAVXKLDUTWLSC-UHFFFAOYSA-N	0	1	233.275	0.420	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCc1n[nH]c(C)n1	ZINC000898362549	584112443	/nfs/dbraw/zinc/11/24/43/584112443.db2.gz	HWJQZOJJBDOVFW-LURJTMIESA-N	0	1	209.253	0.487	20	30		BCEDMN
C=C1CN(C(=O)CCCCc2cn[nH]n2)C1	ZINC000898701252	584150653	/nfs/dbraw/zinc/15/06/53/584150653.db2.gz	QJXZTJNARAQJAZ-UHFFFAOYSA-N	0	1	220.276	0.916	20	30		BCEDMN
C=C1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1	ZINC000898700810	584150725	/nfs/dbraw/zinc/15/07/25/584150725.db2.gz	LHBFJOQRMBUHTD-UHFFFAOYSA-N	0	1	243.270	0.822	20	30		BCEDMN
C=C1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1	ZINC000898703071	584151692	/nfs/dbraw/zinc/15/16/92/584151692.db2.gz	JCHJBDUODRWKSG-SECBINFHSA-N	0	1	205.261	0.987	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2ccncn2)C1=O	ZINC000899349949	584203393	/nfs/dbraw/zinc/20/33/93/584203393.db2.gz	QBRYUFWVYNFRKL-SECBINFHSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CCCc1cc(=O)n(-c2nccn2C)[nH]1	ZINC000899356711	584203498	/nfs/dbraw/zinc/20/34/98/584203498.db2.gz	QXVJIWXTHPWHHQ-UHFFFAOYSA-N	0	1	216.244	0.926	20	30		BCEDMN
C=CCn1cc(CN[C@H]2COC[C@@H]2CC)nn1	ZINC000899884507	584246695	/nfs/dbraw/zinc/24/66/95/584246695.db2.gz	HBOSXRMXIKYVIH-JQWIXIFHSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000899920607	584255137	/nfs/dbraw/zinc/25/51/37/584255137.db2.gz	LTQCNADTCSUVPR-WCQYABFASA-N	0	1	238.331	0.642	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000900169066	584282023	/nfs/dbraw/zinc/28/20/23/584282023.db2.gz	QAAFPEROSUJWQE-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
CN(CC#N)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1	ZINC000900452024	584312728	/nfs/dbraw/zinc/31/27/28/584312728.db2.gz	KMQZAUGLLYARBZ-NSHDSACASA-N	0	1	247.302	0.772	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)c1cncc2nc[nH]c21	ZINC000900472728	584315112	/nfs/dbraw/zinc/31/51/12/584315112.db2.gz	XJXAFCNQSNGLJJ-ZETCQYMHSA-N	0	1	229.243	0.990	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)Cc1c[nH]cn1	ZINC000900568932	584326923	/nfs/dbraw/zinc/32/69/23/584326923.db2.gz	ZGEQZNQQLMRPSC-MRVPVSSYSA-N	0	1	206.249	0.713	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)Cc1cnc[nH]1	ZINC000900632827	584334216	/nfs/dbraw/zinc/33/42/16/584334216.db2.gz	CXVONINOZVTQLM-SECBINFHSA-N	0	1	206.249	0.617	20	30		BCEDMN
CN(CC(=O)N[C@H](C#N)C1CC1)C1CCC1	ZINC000900639170	584334767	/nfs/dbraw/zinc/33/47/67/584334767.db2.gz	VSLSJKHCAUKZGZ-LLVKDONJSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc3c2OCC3)N1	ZINC000901215487	584401523	/nfs/dbraw/zinc/40/15/23/584401523.db2.gz	JSZHTUZHKIOAEN-VIFPVBQESA-N	0	1	244.298	0.893	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@@H](C)N2)cnc1F	ZINC000901217512	584402016	/nfs/dbraw/zinc/40/20/16/584402016.db2.gz	XGYQMZANJZWHFM-MRVPVSSYSA-N	0	1	235.266	0.800	20	30		BCEDMN
CC(=NN[C@@H]1CCOC1)c1c[nH]c(N)n1	ZINC000901231861	584404021	/nfs/dbraw/zinc/40/40/21/584404021.db2.gz	PYQKWLHKIWHSLY-SSDOTTSWSA-N	0	1	209.253	0.094	20	30		BCEDMN
COc1cn(C)nc1C(C)N=Nc1cnn(C)c1	ZINC000901232352	584404038	/nfs/dbraw/zinc/40/40/38/584404038.db2.gz	YUMLDFRBPTYQIP-UHFFFAOYSA-N	0	1	248.290	0.998	20	30		BCEDMN
CC(=NNCCc1ccncc1)c1c[nH]c(N)n1	ZINC000901234078	584404691	/nfs/dbraw/zinc/40/46/91/584404691.db2.gz	CSCXSCNOJDEQKM-UHFFFAOYSA-N	0	1	244.302	0.943	20	30		BCEDMN
C[C@@H]1Cc2cc(C=NNC3=NCCN3)ccc2O1	ZINC000901252454	584410352	/nfs/dbraw/zinc/41/03/52/584410352.db2.gz	GFJITINIKQELEP-SECBINFHSA-N	0	1	244.298	0.893	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)Cc1cnc[nH]1	ZINC000901323871	584430316	/nfs/dbraw/zinc/43/03/16/584430316.db2.gz	XKIABIVLNVIVLU-SECBINFHSA-N	0	1	223.276	0.253	20	30		BCEDMN
COCCn1c(=O)cc(O)nc1SCC#N	ZINC000901653897	584475995	/nfs/dbraw/zinc/47/59/95/584475995.db2.gz	BYKDFBJTYSRURZ-UHFFFAOYSA-N	0	1	241.272	0.211	20	30		BCEDMN
C#C[C@H]1CCCN(CN2C[C@H]3C[C@H]3C2=O)C1	ZINC000902305152	584554448	/nfs/dbraw/zinc/55/44/48/584554448.db2.gz	ILQNAVNUZBNPDE-QJPTWQEYSA-N	0	1	218.300	0.767	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cn(CC)cn1	ZINC000902483894	584624625	/nfs/dbraw/zinc/62/46/25/584624625.db2.gz	SOAOLMOCZXYIJE-JTQLQIEISA-N	0	1	209.293	0.930	20	30		BCEDMN
C#CCCOC(=O)N[C@@H]1CCN(CCOC)C1	ZINC000859121295	589005284	/nfs/dbraw/zinc/00/52/84/589005284.db2.gz	WZGLGNHWIIWHHY-LLVKDONJSA-N	0	1	240.303	0.457	20	30		BCEDMN
COC[C@H](CO)N[C@H](C)c1cc(C#N)ccn1	ZINC000902976155	584707641	/nfs/dbraw/zinc/70/76/41/584707641.db2.gz	NTTIWJNJGZOKFA-KOLCDFICSA-N	0	1	235.287	0.611	20	30		BCEDMN
CC(C)(N)c1noc(CN2CCC[C@H](C#N)C2)n1	ZINC000903563558	584782438	/nfs/dbraw/zinc/78/24/38/584782438.db2.gz	HVVQIFDGFNQQLH-SECBINFHSA-N	0	1	249.318	0.999	20	30		BCEDMN
N#C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842315033	584892074	/nfs/dbraw/zinc/89/20/74/584892074.db2.gz	KBESFXGOBQGWOY-PRJMDXOYSA-N	0	1	210.189	0.497	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C=C1CCCC1	ZINC000834500168	584913593	/nfs/dbraw/zinc/91/35/93/584913593.db2.gz	QOUFJVCHDPXBJK-GHMZBOCLSA-N	0	1	219.288	0.715	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](c2ccco2)C1	ZINC000732206154	584934641	/nfs/dbraw/zinc/93/46/41/584934641.db2.gz	QVNKLSKRSUAXTG-NSHDSACASA-N	0	1	232.283	0.818	20	30		BCEDMN
C(=NNc1cnccn1)c1cnn2cccnc12	ZINC000755633898	584970407	/nfs/dbraw/zinc/97/04/07/584970407.db2.gz	HTINDCZUNRNTMO-UHFFFAOYSA-N	0	1	239.242	0.965	20	30		BCEDMN
C[C@H](CC#N)Nc1nccnc1-c1nn[nH]n1	ZINC000735964059	584984978	/nfs/dbraw/zinc/98/49/78/584984978.db2.gz	VBFRSEIZGIKWCZ-ZCFIWIBFSA-N	0	1	230.235	0.371	20	30		BCEDMN
C=CC[N@H+](CCC(=O)NCC(=O)[O-])C(C)C	ZINC000736108947	584988651	/nfs/dbraw/zinc/98/86/51/584988651.db2.gz	XESLMGFMZLOEPZ-UHFFFAOYSA-N	0	1	228.292	0.474	20	30		BCEDMN
CN1CCc2cc(C=NOCC(N)=O)ccc21	ZINC000771574662	585004659	/nfs/dbraw/zinc/00/46/59/585004659.db2.gz	JSCCUUAJLPGPQP-UHFFFAOYSA-N	0	1	233.271	0.515	20	30		BCEDMN
CC(C#N)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736679907	585009685	/nfs/dbraw/zinc/00/96/85/585009685.db2.gz	RGSRESNPHFRVQT-KOLCDFICSA-N	0	1	232.287	0.345	20	30		BCEDMN
CC#CCN(C)C(=O)NC[C@H]1CCN1CC	ZINC000890062307	585016657	/nfs/dbraw/zinc/01/66/57/585016657.db2.gz	RBEZUBYBKKHNMN-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C#CCCNC(=O)NCc1cc(C)[nH]n1	ZINC000738477511	585046357	/nfs/dbraw/zinc/04/63/57/585046357.db2.gz	KMLKQJDAAKTHMX-UHFFFAOYSA-N	0	1	206.249	0.541	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)NCc1cc(C)[nH]n1	ZINC000838480005	585059135	/nfs/dbraw/zinc/05/91/35/585059135.db2.gz	COANUWSZIFMMIO-LLVKDONJSA-N	0	1	248.286	0.262	20	30		BCEDMN
C=CCONC(=O)NCc1cc(CC)[nH]n1	ZINC000838708524	585066171	/nfs/dbraw/zinc/06/61/71/585066171.db2.gz	YFRQDXHQEUYJNH-UHFFFAOYSA-N	0	1	224.264	0.889	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1	ZINC000838786077	585070110	/nfs/dbraw/zinc/07/01/10/585070110.db2.gz	FVZUZACNFAIKNB-IONNQARKSA-N	0	1	208.261	0.877	20	30		BCEDMN
CCC#C[C@H](C)N1CCCN(C=O)CC1	ZINC000839022648	585087685	/nfs/dbraw/zinc/08/76/85/585087685.db2.gz	JZJBMBZAOSNEKS-LBPRGKRZSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cnn(CC)n1	ZINC000839127748	585093581	/nfs/dbraw/zinc/09/35/81/585093581.db2.gz	POYBVICOSLQTEE-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cnn(CC)n1	ZINC000839127747	585093587	/nfs/dbraw/zinc/09/35/87/585093587.db2.gz	POYBVICOSLQTEE-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C#CCN(CC#CC)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000745722622	585160439	/nfs/dbraw/zinc/16/04/39/585160439.db2.gz	XRLZTFJFYLRBAR-ZDUSSCGKSA-N	0	1	247.342	0.749	20	30		BCEDMN
C#CCN(CC#CC)C(=O)N[C@H]1CCCN(C)C1	ZINC000745722622	585160440	/nfs/dbraw/zinc/16/04/40/585160440.db2.gz	XRLZTFJFYLRBAR-ZDUSSCGKSA-N	0	1	247.342	0.749	20	30		BCEDMN
C#CCN(CC)CCn1ccccc1=O	ZINC000749155744	585200084	/nfs/dbraw/zinc/20/00/84/585200084.db2.gz	ZPRRBPDUYFPIRH-UHFFFAOYSA-N	0	1	204.273	0.803	20	30		BCEDMN
C=CCOCCCC(=O)OCCc1c[nH]nn1	ZINC000750712434	585218541	/nfs/dbraw/zinc/21/85/41/585218541.db2.gz	LQKPOZVYTQYHNQ-UHFFFAOYSA-N	0	1	239.275	0.873	20	30		BCEDMN
C=CCOCCCC(=O)OCCc1cnn[nH]1	ZINC000750712434	585218542	/nfs/dbraw/zinc/21/85/42/585218542.db2.gz	LQKPOZVYTQYHNQ-UHFFFAOYSA-N	0	1	239.275	0.873	20	30		BCEDMN
CS/C=C/C(=O)NC1(C#N)CCN(C)CC1	ZINC000751577976	585233367	/nfs/dbraw/zinc/23/33/67/585233367.db2.gz	HOAYFTDJNOELIB-FPYGCLRLSA-N	0	1	239.344	0.967	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1cnccn1	ZINC000752161719	585243355	/nfs/dbraw/zinc/24/33/55/585243355.db2.gz	USZZHWJFOWETTI-QMMMGPOBSA-N	0	1	205.265	0.826	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)c(C)n1C	ZINC000754960526	585292627	/nfs/dbraw/zinc/29/26/27/585292627.db2.gz	DZCRNWUUKOXGRM-QMMMGPOBSA-N	0	1	233.319	0.913	20	30		BCEDMN
CCCNC(=S)NN=Cc1[nH]cnc1C	ZINC000755579143	585301700	/nfs/dbraw/zinc/30/17/00/585301700.db2.gz	OCELLLPOWKGHOI-UHFFFAOYSA-N	0	1	225.321	0.926	20	30		BCEDMN
Cn1cncc1C=NNCCN1CCCCC1	ZINC000755657661	585303465	/nfs/dbraw/zinc/30/34/65/585303465.db2.gz	PJYRTRSILVMXHZ-UHFFFAOYSA-N	0	1	235.335	0.830	20	30		BCEDMN
Cc1nc[nH]c1C=NNS(=O)(=O)C(C)C	ZINC000755679087	585303739	/nfs/dbraw/zinc/30/37/39/585303739.db2.gz	OFZCBIGSVVXXPO-UHFFFAOYSA-N	0	1	230.293	0.380	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C1CCOCC1	ZINC000756518183	585320527	/nfs/dbraw/zinc/32/05/27/585320527.db2.gz	VYXGWODEGAYBHN-PSASIEDQSA-N	0	1	238.287	0.504	20	30		BCEDMN
Cc1cn(C)nc1C(=O)N=C1C[C@H](C)ON1	ZINC000839714900	585338059	/nfs/dbraw/zinc/33/80/59/585338059.db2.gz	PPHAJGCRWNDHHO-ZETCQYMHSA-N	0	1	222.248	0.581	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839727097	585338779	/nfs/dbraw/zinc/33/87/79/585338779.db2.gz	VHIIHXJEQZKYTH-XLPZGREQSA-N	0	1	211.221	0.460	20	30		BCEDMN
NC(=O)CNN=Cc1cc(Cl)cc(F)c1O	ZINC000758886950	585361118	/nfs/dbraw/zinc/36/11/18/585361118.db2.gz	ATCAQZFZFIANKM-UHFFFAOYSA-N	0	1	245.641	0.594	20	30		BCEDMN
NC(=O)CNN=Cc1cc(-c2ccccc2)[nH]n1	ZINC000758889273	585361242	/nfs/dbraw/zinc/36/12/42/585361242.db2.gz	NXWKCARLQITVBL-UHFFFAOYSA-N	0	1	243.270	0.486	20	30		BCEDMN
C#CCCN1CCN(CCn2cc(C)cn2)CC1	ZINC000760834282	585398706	/nfs/dbraw/zinc/39/87/06/585398706.db2.gz	YWYNVLOEGWHZJI-UHFFFAOYSA-N	0	1	246.358	0.832	20	30		BCEDMN
C#CCCN1CCN(C[C@@H]2COCCO2)CC1	ZINC000760840468	585398759	/nfs/dbraw/zinc/39/87/59/585398759.db2.gz	LCLPFBVBOGAPOQ-CYBMUJFWSA-N	0	1	238.331	0.043	20	30		BCEDMN
N#CCCNC(=O)CN1CCC2(CC2)CC1	ZINC000761060336	585405071	/nfs/dbraw/zinc/40/50/71/585405071.db2.gz	UHFJELAGLGFRIA-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@H](C(F)F)C1	ZINC000761109880	585410118	/nfs/dbraw/zinc/41/01/18/585410118.db2.gz	PXZCLOLYLXSNQI-BDAKNGLRSA-N	0	1	230.258	0.711	20	30		BCEDMN
C=CCCC(=O)COC(=O)CCc1nc[nH]n1	ZINC000761419261	585415189	/nfs/dbraw/zinc/41/51/89/585415189.db2.gz	YCGLSFGIYLWQNX-UHFFFAOYSA-N	0	1	237.259	0.816	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2ccncc2)=NO1	ZINC000763262311	585445373	/nfs/dbraw/zinc/44/53/73/585445373.db2.gz	XNOOLEJEESMMGJ-SSDOTTSWSA-N	0	1	205.217	0.934	20	30		BCEDMN
C[C@@H]1CC(NC(=O)CN2CCC(C)CC2)=NO1	ZINC000763261405	585445456	/nfs/dbraw/zinc/44/54/56/585445456.db2.gz	RCQVQRQFABBKBR-SNVBAGLBSA-N	0	1	239.319	0.957	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2ccc(C#N)cn2)NO1	ZINC000763261746	585445516	/nfs/dbraw/zinc/44/55/16/585445516.db2.gz	TWAWZIXWFLIRTG-ZETCQYMHSA-N	0	1	230.227	0.805	20	30		BCEDMN
C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C)CC1	ZINC000763921648	585457151	/nfs/dbraw/zinc/45/71/51/585457151.db2.gz	VMXXWVVDCFLYKV-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C=C(C[NH+](C)C)C(=O)[N-]O[C@@H]1CCCCO1	ZINC000764474860	585466293	/nfs/dbraw/zinc/46/62/93/585466293.db2.gz	JJHOQLIKELYNCH-SNVBAGLBSA-N	0	1	228.292	0.679	20	30		BCEDMN
C[C@@H]1CC(=NNS(C)(=O)=O)CCN1C	ZINC000764704014	585471601	/nfs/dbraw/zinc/47/16/01/585471601.db2.gz	IZOJCVPBWAXIHO-SSDOTTSWSA-N	0	1	219.310	0.006	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@]12CCOC2	ZINC000764755940	585472901	/nfs/dbraw/zinc/47/29/01/585472901.db2.gz	JXXGYRRLTYMRTI-KWBADKCTSA-N	0	1	248.282	0.400	20	30		BCEDMN
CC(C)COC(=O)[C@H](C)NC(=O)C(C)C#N	ZINC000765235806	585483069	/nfs/dbraw/zinc/48/30/69/585483069.db2.gz	ATHCBVVNJOSIQQ-IUCAKERBSA-N	0	1	226.276	0.850	20	30		BCEDMN
Cc1cc(C(=O)NC2=NO[C@H](C)C2)ncn1	ZINC000765375999	585484304	/nfs/dbraw/zinc/48/43/04/585484304.db2.gz	MHBRULMHDDSHPG-SSDOTTSWSA-N	0	1	220.232	0.637	20	30		BCEDMN
CC(C)(CC#N)CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839798074	585484317	/nfs/dbraw/zinc/48/43/17/585484317.db2.gz	DTCGJIIEWGVEMJ-HTQZYQBOSA-N	0	1	225.248	0.708	20	30		BCEDMN
COc1ccnc(C(=O)N=C2C[C@H](C)ON2)c1	ZINC000765373202	585484467	/nfs/dbraw/zinc/48/44/67/585484467.db2.gz	PQLGROVFSIDDIV-ZETCQYMHSA-N	0	1	235.243	0.942	20	30		BCEDMN
Cc1ncoc1C(=O)N=C1C[C@H](C)ON1	ZINC000765376373	585484646	/nfs/dbraw/zinc/48/46/46/585484646.db2.gz	OPACRFRWNZAGPR-YFKPBYRVSA-N	0	1	209.205	0.835	20	30		BCEDMN
C#Cc1ccc(C(=O)N=C2C[C@H](C)ON2)nc1	ZINC000765378032	585484800	/nfs/dbraw/zinc/48/48/00/585484800.db2.gz	ZSAVKOAXBPHFOH-QMMMGPOBSA-N	0	1	229.239	0.915	20	30		BCEDMN
C#CCNC(=S)N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000765509188	585488669	/nfs/dbraw/zinc/48/86/69/585488669.db2.gz	BZLHDOMDCPDKFE-QWRGUYRKSA-N	0	1	239.388	0.909	20	30		BCEDMN
CNC(=S)NN=C1CCN2CCC[C@H]12	ZINC000765548478	585489807	/nfs/dbraw/zinc/48/98/07/585489807.db2.gz	MAKKDBBKJYHSFA-MRVPVSSYSA-N	0	1	212.322	0.304	20	30		BCEDMN
CN1CCN(CC(=O)NCCC#N)C(C)(C)C1	ZINC000766999418	585512702	/nfs/dbraw/zinc/51/27/02/585512702.db2.gz	LWZMCWZFIIHXGX-UHFFFAOYSA-N	0	1	238.335	0.042	20	30		BCEDMN
CSC[C@@H]1CCCN1CC(=O)NCCC#N	ZINC000767904511	585528174	/nfs/dbraw/zinc/52/81/74/585528174.db2.gz	ABSYSQODRMBQKI-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C#CCCCNC(=O)NCc1cn[nH]c1C	ZINC000768240337	585534270	/nfs/dbraw/zinc/53/42/70/585534270.db2.gz	VQMXSTRVONOUMK-UHFFFAOYSA-N	0	1	220.276	0.931	20	30		BCEDMN
C[C@@H]1CN(CC(=O)NCCC#N)[C@@H](C)CN1C	ZINC000768765872	585542643	/nfs/dbraw/zinc/54/26/43/585542643.db2.gz	VNXHLHZFULTWOG-MNOVXSKESA-N	0	1	238.335	0.041	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C	ZINC000768845366	585544649	/nfs/dbraw/zinc/54/46/49/585544649.db2.gz	HZQBAVVAVMRFEM-NEPJUHHUSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCN(CC#C)C1CCN(C(C)=O)CC1	ZINC000769443294	585556407	/nfs/dbraw/zinc/55/64/07/585556407.db2.gz	UJBGXGAVZUOWQF-UHFFFAOYSA-N	0	1	218.300	0.566	20	30		BCEDMN
C=CCCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770511336	585575151	/nfs/dbraw/zinc/57/51/51/585575151.db2.gz	LLBZUNDWENXZIR-UHFFFAOYSA-N	0	1	224.216	0.924	20	30		BCEDMN
O=C1N=NCN1N=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000770622621	585577995	/nfs/dbraw/zinc/57/79/95/585577995.db2.gz	YKSCSOJZSBYETG-UHFFFAOYSA-N	0	1	249.186	0.480	20	30		BCEDMN
Cn1cc(C=NNC(=N)N)c(-c2ccccc2)n1	ZINC000771550234	585596031	/nfs/dbraw/zinc/59/60/31/585596031.db2.gz	FLUFGDUIQARCNQ-UHFFFAOYSA-N	0	1	242.286	0.904	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1CCCN1C)[C@H]1CCCO1	ZINC000772889045	585626439	/nfs/dbraw/zinc/62/64/39/585626439.db2.gz	FYOVOCHGJLZXQY-QJPTWQEYSA-N	0	1	236.315	0.378	20	30		BCEDMN
CCOc1nc(C(=O)N=C2C[C@@H](C)ON2)co1	ZINC000773536688	585639742	/nfs/dbraw/zinc/63/97/42/585639742.db2.gz	GBYNLOGMZRLJKN-ZCFIWIBFSA-N	0	1	239.231	0.925	20	30		BCEDMN
C#C[C@H](C)NC(=O)CN(C)[C@H]1CCSC1	ZINC000775384846	585677105	/nfs/dbraw/zinc/67/71/05/585677105.db2.gz	QLLLWDQMFNAOEM-UWVGGRQHSA-N	0	1	226.345	0.562	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NC1CC1)[C@@H]1CCCO1	ZINC000775784280	585685024	/nfs/dbraw/zinc/68/50/24/585685024.db2.gz	HKSBBQNYYAIVDA-USWWRNFRSA-N	0	1	236.315	0.424	20	30		BCEDMN
C[C@H](CO)NN=Cc1cnccc1N(C)C	ZINC000776187435	585692141	/nfs/dbraw/zinc/69/21/41/585692141.db2.gz	HVJZVARTAUSCAN-SECBINFHSA-N	0	1	222.292	0.452	20	30		BCEDMN
C#CCCN1CCN(Cc2cnc(C)cn2)CC1	ZINC000776593109	585702190	/nfs/dbraw/zinc/70/21/90/585702190.db2.gz	REXOXQRHMSPBBH-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
C#CCCN1CCN(CCOCCOC)CC1	ZINC000776594764	585702261	/nfs/dbraw/zinc/70/22/61/585702261.db2.gz	SLYRPUCJROLSGW-UHFFFAOYSA-N	0	1	240.347	0.290	20	30		BCEDMN
Cn1ccnc(NN=Cc2ccc(F)nc2)c1=O	ZINC000777439409	585712254	/nfs/dbraw/zinc/71/22/54/585712254.db2.gz	SPVZZVZXCPDAEC-UHFFFAOYSA-N	0	1	247.233	0.760	20	30		BCEDMN
C#CCNC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O	ZINC000778247760	585729151	/nfs/dbraw/zinc/72/91/51/585729151.db2.gz	XTMDRMNKXORASZ-RYUDHWBXSA-N	0	1	238.331	0.219	20	30		BCEDMN
Cc1nc(COC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000779227991	585747815	/nfs/dbraw/zinc/74/78/15/585747815.db2.gz	DWNPXMLMCHWIQL-UHFFFAOYSA-N	0	1	231.215	0.670	20	30		BCEDMN
Cc1noc(C)c1C=NNC1=NC[C@@H](C)N1	ZINC000779792319	585763935	/nfs/dbraw/zinc/76/39/35/585763935.db2.gz	LEOZINWFHBJJSJ-ZCFIWIBFSA-N	0	1	221.264	0.563	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccccn2)N1	ZINC000779792978	585763962	/nfs/dbraw/zinc/76/39/62/585763962.db2.gz	QFSLXZVWDPBFSU-QMMMGPOBSA-N	0	1	203.249	0.353	20	30		BCEDMN
CCn1ccnc1C=NNC1=NC[C@H](C)N1	ZINC000779793314	585764001	/nfs/dbraw/zinc/76/40/01/585764001.db2.gz	ZROPSVAVPKHRTI-QMMMGPOBSA-N	0	1	220.280	0.174	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000779795492	585764380	/nfs/dbraw/zinc/76/43/80/585764380.db2.gz	UXWUHFWYQVKMJO-SECBINFHSA-N	0	1	232.287	0.966	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn(C(C)(C)C)c2)N1	ZINC000779795327	585764474	/nfs/dbraw/zinc/76/44/74/585764474.db2.gz	SENOSMLVQYBTEX-SECBINFHSA-N	0	1	248.334	0.909	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@@H](C)N2)cc1O	ZINC000779802232	585765033	/nfs/dbraw/zinc/76/50/33/585765033.db2.gz	CMRNCRPLNXEETN-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2c(Cl)cnn2C)N1	ZINC000780242948	585774638	/nfs/dbraw/zinc/77/46/38/585774638.db2.gz	JYTQDQHFAOWVOR-LURJTMIESA-N	0	1	240.698	0.345	20	30		BCEDMN
Cc1cccnc1C=NNC1=NC[C@H](C)N1	ZINC000781595225	585800076	/nfs/dbraw/zinc/80/00/76/585800076.db2.gz	NRJUZPQKJJPZSP-VIFPVBQESA-N	0	1	217.276	0.661	20	30		BCEDMN
CN(C)CC(=O)NCc1ccc(C#N)cn1	ZINC000782026785	585807014	/nfs/dbraw/zinc/80/70/14/585807014.db2.gz	WZPAKCFCNLUJSM-UHFFFAOYSA-N	0	1	218.260	0.131	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)NOCCOC	ZINC000783657176	585839730	/nfs/dbraw/zinc/83/97/30/585839730.db2.gz	VBJPIENOGGTCIM-LLVKDONJSA-N	0	1	231.292	0.909	20	30		BCEDMN
CC(C)(C#N)CC(=O)OCCc1c[nH]nn1	ZINC000786423429	585891180	/nfs/dbraw/zinc/89/11/80/585891180.db2.gz	FESPWTXHGSRLJU-UHFFFAOYSA-N	0	1	222.248	0.830	20	30		BCEDMN
CC(C)(C#N)CC(=O)OCCc1cnn[nH]1	ZINC000786423429	585891181	/nfs/dbraw/zinc/89/11/81/585891181.db2.gz	FESPWTXHGSRLJU-UHFFFAOYSA-N	0	1	222.248	0.830	20	30		BCEDMN
C=CCCN(C)CN1C[C@H](OC)CC1=O	ZINC000787235085	585903410	/nfs/dbraw/zinc/90/34/10/585903410.db2.gz	LYWHGTVVEZECSQ-SNVBAGLBSA-N	0	1	212.293	0.699	20	30		BCEDMN
C[C@@H]1CN(C2CC2)CC1N=N[C@H]1CCOC1	ZINC000788440243	585923635	/nfs/dbraw/zinc/92/36/35/585923635.db2.gz	GFKBWYKDFSUHBY-ZJUUUORDSA-N	0	1	223.320	0.835	20	30		BCEDMN
N#Cc1ccc(C(=O)Nc2c[nH]nn2)cc1	ZINC000789931771	585954324	/nfs/dbraw/zinc/95/43/24/585954324.db2.gz	MRIVJGAXGREDOS-UHFFFAOYSA-N	0	1	213.200	0.929	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N1CC[C@@](F)(C#N)C1	ZINC000790045227	585956486	/nfs/dbraw/zinc/95/64/86/585956486.db2.gz	DNTUMSCONJDUJW-SECBINFHSA-N	0	1	223.211	0.191	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C	ZINC000790052373	585956659	/nfs/dbraw/zinc/95/66/59/585956659.db2.gz	ZCOJNGZFFBTUJX-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn(C(C)(C)C)nn2)N1	ZINC000790174287	585959442	/nfs/dbraw/zinc/95/94/42/585959442.db2.gz	ROIAMEVTOYFCMZ-MRVPVSSYSA-N	0	1	249.322	0.304	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H]1[C@H]1CCCO1	ZINC000792926612	586006970	/nfs/dbraw/zinc/00/69/70/586006970.db2.gz	MXMSCHNBGOWBBV-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C(C)C#N	ZINC000794215429	586035611	/nfs/dbraw/zinc/03/56/11/586035611.db2.gz	HPWBTEPYQKXOMJ-FXQIFTODSA-N	0	1	228.223	0.258	20	30		BCEDMN
N=C(N)NN=Cc1ccnn1-c1ccc(F)cc1	ZINC000794488754	586040725	/nfs/dbraw/zinc/04/07/25/586040725.db2.gz	LKVHYXMYCWWVKB-UHFFFAOYSA-N	0	1	246.249	0.828	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1ccnc(F)c1	ZINC000794927992	586056033	/nfs/dbraw/zinc/05/60/33/586056033.db2.gz	RAWNKPLFHVSYGT-SSDOTTSWSA-N	0	1	235.266	0.882	20	30		BCEDMN
Cn1nncc1CN=Nc1cccc(F)n1	ZINC000795006272	586064711	/nfs/dbraw/zinc/06/47/11/586064711.db2.gz	LLNHNMZJILMAIE-UHFFFAOYSA-N	0	1	220.211	0.795	20	30		BCEDMN
COCC#CCNC(C)(C)C(=O)N1CCCC1	ZINC000796578243	586107487	/nfs/dbraw/zinc/10/74/87/586107487.db2.gz	ULARAGXVQYMGQW-UHFFFAOYSA-N	0	1	238.331	0.627	20	30		BCEDMN
C#Cc1cncc(C(=O)N[C@H](C)c2nnc[nH]2)c1	ZINC000798301431	586142675	/nfs/dbraw/zinc/14/26/75/586142675.db2.gz	DBASTLFKQOWJFQ-MRVPVSSYSA-N	0	1	241.254	0.672	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	ZINC000800385752	586214758	/nfs/dbraw/zinc/21/47/58/586214758.db2.gz	DUYYHZJFFHUFOK-QHOPCYEYSA-N	0	1	224.260	0.255	20	30		BCEDMN
CC#CC(=O)N[C@@H]1CCCN(CCOC)C1	ZINC000801151994	586243590	/nfs/dbraw/zinc/24/35/90/586243590.db2.gz	DWLXZVRCQMGZDT-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
CC#CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000801180321	586245574	/nfs/dbraw/zinc/24/55/74/586245574.db2.gz	VSXYQHCXXZHTIR-MNOVXSKESA-N	0	1	208.305	0.951	20	30		BCEDMN
CC#CC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000801179818	586245836	/nfs/dbraw/zinc/24/58/36/586245836.db2.gz	FHFWSGKQRINQSN-SSDOTTSWSA-N	0	1	206.249	0.568	20	30		BCEDMN
CC#CC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000801217536	586248442	/nfs/dbraw/zinc/24/84/42/586248442.db2.gz	XTDWUPFGPNBJTO-NSHDSACASA-N	0	1	238.331	0.313	20	30		BCEDMN
CCN(CCO[C@@H](C)C#N)[C@@H]1CCNC1=O	ZINC000801953329	586283810	/nfs/dbraw/zinc/28/38/10/586283810.db2.gz	MSMULLHWSIAHQU-VHSXEESVSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CCNC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C	ZINC000806277579	586408565	/nfs/dbraw/zinc/40/85/65/586408565.db2.gz	DFCITMNESAFVHU-GHMZBOCLSA-N	0	1	241.335	0.269	20	30		BCEDMN
C#Cc1cncc(C(=O)NCc2c[nH]nn2)c1	ZINC000806994051	586421740	/nfs/dbraw/zinc/42/17/40/586421740.db2.gz	OKRZPTLPOASDDX-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
O=C1CCC2=C([NH+]=Nc3nnc[n-]3)CCCC2N1	ZINC000807998514	586457379	/nfs/dbraw/zinc/45/73/79/586457379.db2.gz	IMGONGUZSFGOIO-UHFFFAOYSA-N	0	1	246.274	0.921	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@](CO)(CCC)C1	ZINC000808796193	586490183	/nfs/dbraw/zinc/49/01/83/586490183.db2.gz	GVYNCQHCRYAYML-ZDUSSCGKSA-N	0	1	238.331	0.220	20	30		BCEDMN
CN(CCc1ccncc1)C[C@H](O)CC#N	ZINC000809576074	586507854	/nfs/dbraw/zinc/50/78/54/586507854.db2.gz	HLRMSJHWNUUNKP-GFCCVEGCSA-N	0	1	219.288	0.830	20	30		BCEDMN
CON=CC(=O)Nc1cnn(-c2ccncc2)c1	ZINC000809648902	586510864	/nfs/dbraw/zinc/51/08/64/586510864.db2.gz	MLYGYXVCQCAORM-UHFFFAOYSA-N	0	1	245.242	0.838	20	30		BCEDMN
Cn1cc(C(=O)Nc2cc(C#N)ccc2O)nn1	ZINC000809706256	586513943	/nfs/dbraw/zinc/51/39/43/586513943.db2.gz	RTWYCCJZOGSMPV-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
CON=CC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000809729763	586515470	/nfs/dbraw/zinc/51/54/70/586515470.db2.gz	ZBJPEIDCDFQGJN-SSDOTTSWSA-N	0	1	222.248	0.015	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCc1cc(CC)[nH]n1	ZINC000810394444	586538818	/nfs/dbraw/zinc/53/88/18/586538818.db2.gz	YFEIJKCKTAONQW-LBPRGKRZSA-N	0	1	237.303	0.915	20	30		BCEDMN
COCCON=Cc1cnc(N(C)C)n1C	ZINC000811643332	586562593	/nfs/dbraw/zinc/56/25/93/586562593.db2.gz	BCGWEQHIPBPHPW-UHFFFAOYSA-N	0	1	226.280	0.483	20	30		BCEDMN
CC[C@@H](O)CNN=C1CCN2CCC[C@@H]12	ZINC000811652551	586563465	/nfs/dbraw/zinc/56/34/65/586563465.db2.gz	PHBGBWDVOUVNQD-KOLCDFICSA-N	0	1	211.309	0.571	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000812011203	586569537	/nfs/dbraw/zinc/56/95/37/586569537.db2.gz	REIYBVUIGOLSLD-GHMZBOCLSA-N	0	1	223.320	0.744	20	30		BCEDMN
C(=NNc1cccnn1)c1cncnc1	ZINC000814852533	586638831	/nfs/dbraw/zinc/63/88/31/586638831.db2.gz	CQPVPCGAOLJNRQ-UHFFFAOYSA-N	0	1	200.205	0.713	20	30		BCEDMN
Cc1nccc(CN=Nc2nccn(C)c2=O)n1	ZINC000814863576	586639981	/nfs/dbraw/zinc/63/99/81/586639981.db2.gz	SWESGQXZCCMBSO-UHFFFAOYSA-N	0	1	244.258	0.325	20	30		BCEDMN
C[C@H]1CN=C(NN=C2COc3ccccc32)N1	ZINC000814897993	586645702	/nfs/dbraw/zinc/64/57/02/586645702.db2.gz	PGSKQUMKUOGOAO-QMMMGPOBSA-N	0	1	230.271	0.720	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2nc3c(s2)CCC3)N1	ZINC000814898962	586645777	/nfs/dbraw/zinc/64/57/77/586645777.db2.gz	XNXPVZNAWJLRLH-SSDOTTSWSA-N	0	1	249.343	0.903	20	30		BCEDMN
OCCNN=Cc1cc(-c2ccccc2)[nH]n1	ZINC000814942966	586656875	/nfs/dbraw/zinc/65/68/75/586656875.db2.gz	BZOIZSANMDDKLG-UHFFFAOYSA-N	0	1	230.271	0.993	20	30		BCEDMN
C[C@@H](O)CNN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000814966427	586662125	/nfs/dbraw/zinc/66/21/25/586662125.db2.gz	SZMGBADJOPXQDO-RXMQYKEDSA-N	0	1	236.197	0.733	20	30		BCEDMN
Cn1nncc1N=NCc1nc(C#N)cs1	ZINC000814980626	586662414	/nfs/dbraw/zinc/66/24/14/586662414.db2.gz	GMENGUKCLUELCR-UHFFFAOYSA-N	0	1	233.260	0.589	20	30		BCEDMN
C[C@H]1CC(N=Nc2cnnn2C)CN1C1CC1	ZINC000814981311	586662818	/nfs/dbraw/zinc/66/28/18/586662818.db2.gz	BTSYINAUGVXVKN-QMMMGPOBSA-N	0	1	234.307	0.840	20	30		BCEDMN
Cn1cccc1C=NNc1cnnn1C	ZINC000814982931	586663406	/nfs/dbraw/zinc/66/34/06/586663406.db2.gz	VKKIUWSOFWCBOI-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CC1(C#N)CC1	ZINC000815910163	586696968	/nfs/dbraw/zinc/69/69/68/586696968.db2.gz	QRDOTZBZSMOWPR-VIFPVBQESA-N	0	1	233.271	0.914	20	30		BCEDMN
C#Cc1ccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000859806783	589061867	/nfs/dbraw/zinc/06/18/67/589061867.db2.gz	NAOWGXXNNHEMSW-ZDUSSCGKSA-N	0	1	245.278	0.953	20	30		BCEDMN
C#Cc1ccc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000859806783	589061869	/nfs/dbraw/zinc/06/18/69/589061869.db2.gz	NAOWGXXNNHEMSW-ZDUSSCGKSA-N	0	1	245.278	0.953	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@H]1CCCN1C1CC1	ZINC000816669664	586753853	/nfs/dbraw/zinc/75/38/53/586753853.db2.gz	YLJMUUVOJYYQSC-CMPLNLGQSA-N	0	1	236.315	0.114	20	30		BCEDMN
CC(C#N)C(=O)N(C)[C@@H]1CC(C)(C)OC1=O	ZINC000817074162	586781267	/nfs/dbraw/zinc/78/12/67/586781267.db2.gz	MEWPYFUJMOOZEJ-HTQZYQBOSA-N	0	1	224.260	0.699	20	30		BCEDMN
O[C@@H]1CCC[C@H]1NN=C1CCN2CCC[C@@H]12	ZINC000817335415	586796781	/nfs/dbraw/zinc/79/67/81/586796781.db2.gz	DSXUJLSGTLUQQT-GRYCIOLGSA-N	0	1	223.320	0.714	20	30		BCEDMN
C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000817772338	586827799	/nfs/dbraw/zinc/82/77/99/586827799.db2.gz	UWNZVMYDAFAQCF-JOYOIKCWSA-N	0	1	248.282	0.997	20	30		BCEDMN
C#CCOCCN1CCC[C@H]1c1ccc(=O)[nH]n1	ZINC000859887064	589068814	/nfs/dbraw/zinc/06/88/14/589068814.db2.gz	CHGXSOLCRDNPPM-LBPRGKRZSA-N	0	1	247.298	0.969	20	30		BCEDMN
C[N@@H+](CCCSCC#N)CC(=O)[O-]	ZINC000818469851	586893728	/nfs/dbraw/zinc/89/37/28/586893728.db2.gz	AKBIZQPEJHOAQQ-UHFFFAOYSA-N	0	1	202.279	0.650	20	30		BCEDMN
CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840381978	586958400	/nfs/dbraw/zinc/95/84/00/586958400.db2.gz	MYGIGNGLRXUEGJ-PRJMDXOYSA-N	0	1	225.248	0.706	20	30		BCEDMN
C=CCCn1cc(C(=O)NC2=NO[C@H](C)C2)nn1	ZINC000819440442	586965151	/nfs/dbraw/zinc/96/51/51/586965151.db2.gz	NQOQTKRBMDMAKC-MRVPVSSYSA-N	0	1	249.274	0.706	20	30		BCEDMN
COCCN(C)N=Cc1ccncc1N	ZINC000819813697	586997878	/nfs/dbraw/zinc/99/78/78/586997878.db2.gz	RMSNNNXSBJMRJC-UHFFFAOYSA-N	0	1	208.265	0.576	20	30		BCEDMN
C[C@H](C#N)CNc1nccnc1-c1nn[nH]n1	ZINC000819854789	586999230	/nfs/dbraw/zinc/99/92/30/586999230.db2.gz	CCVHWXBXBSSZBQ-ZCFIWIBFSA-N	0	1	230.235	0.228	20	30		BCEDMN
C[C@@H](C#N)CNc1nccnc1-c1nn[nH]n1	ZINC000819854785	586999638	/nfs/dbraw/zinc/99/96/38/586999638.db2.gz	CCVHWXBXBSSZBQ-LURJTMIESA-N	0	1	230.235	0.228	20	30		BCEDMN
C#CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000819982577	587010806	/nfs/dbraw/zinc/01/08/06/587010806.db2.gz	SDNJRBIYCJPMKC-RKDXNWHRSA-N	0	1	203.245	0.653	20	30		BCEDMN
C#CCSCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000820192979	587033876	/nfs/dbraw/zinc/03/38/76/587033876.db2.gz	JKTUAUYSFFVMEX-NXEZZACHSA-N	0	1	249.339	0.996	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)C[C@H]1CC	ZINC000820401062	587046462	/nfs/dbraw/zinc/04/64/62/587046462.db2.gz	VNISIXHNTRXMMP-GHMZBOCLSA-N	0	1	223.320	0.744	20	30		BCEDMN
CN(CCC#N)C(=O)CC[N@@H+](C)CCC(=O)[O-]	ZINC000820586367	587056913	/nfs/dbraw/zinc/05/69/13/587056913.db2.gz	VSASOZYGPJXKIC-UHFFFAOYSA-N	0	1	241.291	0.155	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NCCCc1nc[nH]n1	ZINC000820667267	587064607	/nfs/dbraw/zinc/06/46/07/587064607.db2.gz	UAJDCXGRFJHKNU-JTQLQIEISA-N	0	1	249.318	0.838	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)C#CC(C)C	ZINC000820977920	587085842	/nfs/dbraw/zinc/08/58/42/587085842.db2.gz	UJDSREZBFCJMQQ-UHFFFAOYSA-N	0	1	205.261	0.994	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H](O)C2)c1	ZINC000821349225	587110268	/nfs/dbraw/zinc/11/02/68/587110268.db2.gz	ODDQSHYDLQHTGL-DTORHVGOSA-N	0	1	232.239	0.973	20	30		BCEDMN
C=CCOCCNC(=O)CN1CCCC1	ZINC000821802166	587139225	/nfs/dbraw/zinc/13/92/25/587139225.db2.gz	PEVQFOUCJFUFNU-UHFFFAOYSA-N	0	1	212.293	0.401	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCN1C1CCCC1	ZINC000822679407	587180784	/nfs/dbraw/zinc/18/07/84/587180784.db2.gz	HSVMWFBHHVQMBN-CYBMUJFWSA-N	0	1	245.326	0.989	20	30		BCEDMN
C=CCCc1noc(C[C@@H]2COCCN2)n1	ZINC000823263136	587212447	/nfs/dbraw/zinc/21/24/47/587212447.db2.gz	DCIBYCSBCMUVBC-SECBINFHSA-N	0	1	223.276	0.719	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000823313648	587216005	/nfs/dbraw/zinc/21/60/05/587216005.db2.gz	BRDKMWQOCPHGRB-PWSUYJOCSA-N	0	1	236.315	0.114	20	30		BCEDMN
C#CC[N@H+](CC#CC)C[C@H]1CCN(C(=O)[O-])C1	ZINC000823450400	587223183	/nfs/dbraw/zinc/22/31/83/587223183.db2.gz	BAYSNRKMGQNTEE-GFCCVEGCSA-N	0	1	234.299	0.945	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823496208	587227116	/nfs/dbraw/zinc/22/71/16/587227116.db2.gz	FVASVFSSLWMNFS-QWRGUYRKSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[O-])C1	ZINC000823497135	587227438	/nfs/dbraw/zinc/22/74/38/587227438.db2.gz	WMWUOQQYQCDMSQ-WDEREUQCSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1cn(CC)nn1	ZINC000824033086	587249756	/nfs/dbraw/zinc/24/97/56/587249756.db2.gz	BJGZXESFFAFHDO-QMMMGPOBSA-N	0	1	224.264	0.463	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1cn(CC)nn1	ZINC000824033085	587249980	/nfs/dbraw/zinc/24/99/80/587249980.db2.gz	BJGZXESFFAFHDO-MRVPVSSYSA-N	0	1	224.264	0.463	20	30		BCEDMN
C#CC1CCN(C(=O)CCCc2nn[nH]n2)CC1	ZINC000824037019	587250275	/nfs/dbraw/zinc/25/02/75/587250275.db2.gz	XYUFTICYVGGRML-UHFFFAOYSA-N	0	1	247.302	0.394	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)CN2CCCC2)C1	ZINC000824290407	587264939	/nfs/dbraw/zinc/26/49/39/587264939.db2.gz	LYOVARZYNPMRKN-GFCCVEGCSA-N	0	1	220.316	0.954	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@@H]1CCCCN1C	ZINC000825080832	587303144	/nfs/dbraw/zinc/30/31/44/587303144.db2.gz	XSXWURNLZXMFSS-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000825080455	587303379	/nfs/dbraw/zinc/30/33/79/587303379.db2.gz	PZLGQAVBEKRQME-HBNTYKKESA-N	0	1	247.298	0.668	20	30		BCEDMN
CCCCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000825302048	587313800	/nfs/dbraw/zinc/31/38/00/587313800.db2.gz	UPPQEWXORQTDRZ-UHFFFAOYSA-N	0	1	217.236	0.735	20	30		BCEDMN
C#CC[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825625589	587326890	/nfs/dbraw/zinc/32/68/90/587326890.db2.gz	IPOFNUIUYPPRMB-NSHDSACASA-N	0	1	214.224	0.907	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825664486	587330398	/nfs/dbraw/zinc/33/03/98/587330398.db2.gz	BLFPJFDXOZZUKI-GXSJLCMTSA-N	0	1	231.267	0.812	20	30		BCEDMN
COCCN1CC[C@H](NC(=O)C#CC(C)C)C1	ZINC000826797357	587362537	/nfs/dbraw/zinc/36/25/37/587362537.db2.gz	RSGCZBCIFBXSEI-LBPRGKRZSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#Cc1cnc(N2CCN(CC)[C@H](C)C2)nc1	ZINC000827807494	587403539	/nfs/dbraw/zinc/40/35/39/587403539.db2.gz	APPNGHSHQREFDW-LLVKDONJSA-N	0	1	230.315	0.988	20	30		BCEDMN
Cc1oc(C=O)cc1C(=O)NCC#CCN(C)C	ZINC000827972183	587414098	/nfs/dbraw/zinc/41/40/98/587414098.db2.gz	UYDVPNPWNGXWEX-UHFFFAOYSA-N	0	1	248.282	0.695	20	30		BCEDMN
C[N@@H+](CCC#N)C1CCN(C(=O)[O-])CC1	ZINC000828273276	587430091	/nfs/dbraw/zinc/43/00/91/587430091.db2.gz	KYZHBPGQBQKSRY-UHFFFAOYSA-N	0	1	211.265	0.974	20	30		BCEDMN
C#CCSCCNC(=O)C1(N(C)C)CC1	ZINC000828459446	587443693	/nfs/dbraw/zinc/44/36/93/587443693.db2.gz	MNHKAPHFXAPOHM-UHFFFAOYSA-N	0	1	226.345	0.563	20	30		BCEDMN
C#C[C@H](NCc1c[nH]nn1)[C@H]1CCCO1	ZINC000828954663	587475500	/nfs/dbraw/zinc/47/55/00/587475500.db2.gz	WBJTTYHNIALWOB-VHSXEESVSA-N	0	1	206.249	0.075	20	30		BCEDMN
C#C[C@H](NCc1c[nH]nn1)[C@@H]1CCCO1	ZINC000828954662	587475569	/nfs/dbraw/zinc/47/55/69/587475569.db2.gz	WBJTTYHNIALWOB-UWVGGRQHSA-N	0	1	206.249	0.075	20	30		BCEDMN
CC[N@@H+](CCO)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829714087	587511127	/nfs/dbraw/zinc/51/11/27/587511127.db2.gz	ZAZYZTQZHGZQTK-GFCCVEGCSA-N	0	1	248.282	0.998	20	30		BCEDMN
C#CC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000829811013	587518485	/nfs/dbraw/zinc/51/84/85/587518485.db2.gz	XTOZGIJFMUIETQ-VIFPVBQESA-N	0	1	220.276	0.746	20	30		BCEDMN
N#CCSCCC[N@@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000831109604	587586637	/nfs/dbraw/zinc/58/66/37/587586637.db2.gz	ONQLLSGEWFQUHO-SECBINFHSA-N	0	1	243.332	0.975	20	30		BCEDMN
Cc1nnc(C(=O)NC2=NO[C@H](C)C2)s1	ZINC000831399563	587601910	/nfs/dbraw/zinc/60/19/10/587601910.db2.gz	OHUCMWGDJXRRQX-SCSAIBSYSA-N	0	1	226.261	0.699	20	30		BCEDMN
CC(C)C#CC(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000832125343	587645816	/nfs/dbraw/zinc/64/58/16/587645816.db2.gz	BIELYCYIASMQAY-SECBINFHSA-N	0	1	235.291	0.421	20	30		BCEDMN
C#CCC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833362417	587708240	/nfs/dbraw/zinc/70/82/40/587708240.db2.gz	QSNBOOCCCNEJEP-VHSXEESVSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833362417	587708242	/nfs/dbraw/zinc/70/82/42/587708242.db2.gz	QSNBOOCCCNEJEP-VHSXEESVSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833362415	587708274	/nfs/dbraw/zinc/70/82/74/587708274.db2.gz	QSNBOOCCCNEJEP-NXEZZACHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833362415	587708276	/nfs/dbraw/zinc/70/82/76/587708276.db2.gz	QSNBOOCCCNEJEP-NXEZZACHSA-N	0	1	239.271	0.348	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000833368214	587709335	/nfs/dbraw/zinc/70/93/35/587709335.db2.gz	CRUFOYWUSFMQFN-RKDXNWHRSA-N	0	1	201.266	0.576	20	30		BCEDMN
C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[O-])CC1	ZINC000833368710	587709439	/nfs/dbraw/zinc/70/94/39/587709439.db2.gz	QPDGRBNNAVDYRE-SECBINFHSA-N	0	1	214.265	0.219	20	30		BCEDMN
C=CCC[N@H+](C)[C@H](COCC)C(=O)[O-]	ZINC000833374217	587711013	/nfs/dbraw/zinc/71/10/13/587711013.db2.gz	UYPDPABTPZXUCK-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
CC#CCN1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833380616	587711387	/nfs/dbraw/zinc/71/13/87/587711387.db2.gz	LCQDFBJRFVAGBO-LLVKDONJSA-N	0	1	224.304	0.491	20	30		BCEDMN
C[C@@](O)(C[N@@H+](CCC#N)CC1CC1)C(=O)[O-]	ZINC000833524642	587718745	/nfs/dbraw/zinc/71/87/45/587718745.db2.gz	KRXMSIYSSBEQEE-LLVKDONJSA-N	0	1	226.276	0.448	20	30		BCEDMN
C#CCC[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787647	587731978	/nfs/dbraw/zinc/73/19/78/587731978.db2.gz	WOPQWCHURDYUHI-ZJUUUORDSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#CCC[N@H+]1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787647	587731980	/nfs/dbraw/zinc/73/19/80/587731980.db2.gz	WOPQWCHURDYUHI-ZJUUUORDSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#CCCO[NH+]=C(N)[C@@H](C)CN(C)C(=O)[O-]	ZINC000833786987	587732153	/nfs/dbraw/zinc/73/21/53/587732153.db2.gz	FZASNKPOQSZGSM-QMMMGPOBSA-N	0	1	227.264	0.754	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CCSCC1	ZINC000834488664	587755874	/nfs/dbraw/zinc/75/58/74/587755874.db2.gz	FTDQKVNLKKSCLW-ZJUUUORDSA-N	0	1	239.344	0.357	20	30		BCEDMN
Cc1cc(F)ccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834480231	587756000	/nfs/dbraw/zinc/75/60/00/587756000.db2.gz	MYWCCALRECBZEY-JOYOIKCWSA-N	0	1	247.273	0.976	20	30		BCEDMN
Cc1cc(C)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1	ZINC000834479347	587756089	/nfs/dbraw/zinc/75/60/89/587756089.db2.gz	DCNDQGYHQRPNHJ-VHSXEESVSA-N	0	1	233.271	0.738	20	30		BCEDMN
CC[C@H](C)OCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834480406	587756093	/nfs/dbraw/zinc/75/60/93/587756093.db2.gz	PPJXQOUVANBDNI-GUBZILKMSA-N	0	1	225.292	0.029	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000834479554	587756185	/nfs/dbraw/zinc/75/61/85/587756185.db2.gz	FVXPDXSGCZZLLL-ZIQFBCGOSA-N	0	1	233.315	0.650	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC12CCCC2	ZINC000834479954	587756266	/nfs/dbraw/zinc/75/62/66/587756266.db2.gz	JWFXRZDJUYGJSH-GMTAPVOTSA-N	0	1	233.315	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CC(F)(F)C1	ZINC000834479314	587756316	/nfs/dbraw/zinc/75/63/16/587756316.db2.gz	CHVFXZOUIISVCC-JGVFFNPUSA-N	0	1	229.230	0.259	20	30		BCEDMN
Cc1c(F)cccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834483862	587756333	/nfs/dbraw/zinc/75/63/33/587756333.db2.gz	ARUVDVKSWJWUEG-BXKDBHETSA-N	0	1	247.273	0.976	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1N	ZINC000834485384	587756521	/nfs/dbraw/zinc/75/65/21/587756521.db2.gz	VXSUVCKPBUOAOP-CMPLNLGQSA-N	0	1	244.298	0.419	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1F	ZINC000834485311	587756551	/nfs/dbraw/zinc/75/65/51/587756551.db2.gz	VEMMNDNXJLDFLT-CMPLNLGQSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC12CC2	ZINC000834485249	587756603	/nfs/dbraw/zinc/75/66/03/587756603.db2.gz	UCFJRBMUOSQJTC-VGMNWLOBSA-N	0	1	205.261	0.014	20	30		BCEDMN
Cc1ccc(N)cc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834484830	587756682	/nfs/dbraw/zinc/75/66/82/587756682.db2.gz	OADVZWDOQWKPJH-BXKDBHETSA-N	0	1	244.298	0.419	20	30		BCEDMN
CCc1cccnc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834485019	587756735	/nfs/dbraw/zinc/75/67/35/587756735.db2.gz	QXIIXJKFNQNCHG-WDEREUQCSA-N	0	1	244.298	0.485	20	30		BCEDMN
CC(Cl)(Cl)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834485319	587756863	/nfs/dbraw/zinc/75/68/63/587756863.db2.gz	VGRNSTFSWIAFBE-NTSWFWBYSA-N	0	1	236.102	0.408	20	30		BCEDMN
CSCCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834490475	587756894	/nfs/dbraw/zinc/75/68/94/587756894.db2.gz	VIUFPFJYBDUARO-UWVGGRQHSA-N	0	1	241.360	0.747	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1Cc2ccccc21	ZINC000834489681	587756896	/nfs/dbraw/zinc/75/68/96/587756896.db2.gz	OPOYKPSZWLIHKB-KGYLQXTDSA-N	0	1	241.294	0.554	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)cn1	ZINC000834490329	587757086	/nfs/dbraw/zinc/75/70/86/587757086.db2.gz	UEYZCRNKVOYQIY-NWDGAFQWSA-N	0	1	244.298	0.160	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCOCC1	ZINC000834494106	587757088	/nfs/dbraw/zinc/75/70/88/587757088.db2.gz	KGABZBPQESANHQ-NXEZZACHSA-N	0	1	237.303	0.031	20	30		BCEDMN
COCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCC1	ZINC000834499176	587757290	/nfs/dbraw/zinc/75/72/90/587757290.db2.gz	FMRYNXKJILXANK-ZJUUUORDSA-N	0	1	237.303	0.031	20	30		BCEDMN
CC(C)n1cc(C(=O)N[C@H]2CNC[C@H]2C#N)cn1	ZINC000834498815	587757392	/nfs/dbraw/zinc/75/73/92/587757392.db2.gz	BUXWSVRAYDTJRF-KOLCDFICSA-N	0	1	247.302	0.305	20	30		BCEDMN
Cc1ncc(C(=O)N[C@H]2CNC[C@H]2C#N)s1	ZINC000834494687	587757606	/nfs/dbraw/zinc/75/76/06/587757606.db2.gz	OVFTVVGMACWJJF-SFYZADRCSA-N	0	1	236.300	0.293	20	30		BCEDMN
Cc1ncc(C(=O)N[C@H]2CNC[C@@H]2C#N)s1	ZINC000834494689	587757624	/nfs/dbraw/zinc/75/76/24/587757624.db2.gz	OVFTVVGMACWJJF-YUMQZZPRSA-N	0	1	236.300	0.293	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1conc1C1CC1	ZINC000834500547	587758022	/nfs/dbraw/zinc/75/80/22/587758022.db2.gz	ULORCEHZBIUJCP-WPRPVWTQSA-N	0	1	246.270	0.393	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CCCCC1	ZINC000834505424	587758041	/nfs/dbraw/zinc/75/80/41/587758041.db2.gz	KPEJICRMELOTKQ-MNOVXSKESA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1F	ZINC000834510824	587758066	/nfs/dbraw/zinc/75/80/66/587758066.db2.gz	FTCBTKMJLXZXBI-JQWIXIFHSA-N	0	1	247.273	0.976	20	30		BCEDMN
COc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834506681	587758070	/nfs/dbraw/zinc/75/80/70/587758070.db2.gz	UZVRZPCAELMRSB-GXSJLCMTSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1cccnc1	ZINC000834511481	587758088	/nfs/dbraw/zinc/75/80/88/587758088.db2.gz	LMJNDBIALSXDEF-NEPJUHHUSA-N	0	1	244.298	0.242	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cc(Cl)c[nH]1	ZINC000834510437	587758098	/nfs/dbraw/zinc/75/80/98/587758098.db2.gz	AVOKJXNZJGJFFW-IMTBSYHQSA-N	0	1	238.678	0.509	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1F	ZINC000834510826	587758102	/nfs/dbraw/zinc/75/81/02/587758102.db2.gz	FTCBTKMJLXZXBI-ZYHUDNBSSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(Cl)c[nH]1	ZINC000834510441	587758132	/nfs/dbraw/zinc/75/81/32/587758132.db2.gz	AVOKJXNZJGJFFW-RCOVLWMOSA-N	0	1	238.678	0.509	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1	ZINC000834507268	587758156	/nfs/dbraw/zinc/75/81/56/587758156.db2.gz	ZFBMVFDVXDIYNS-NEPJUHHUSA-N	0	1	229.283	0.836	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)n1C	ZINC000834511547	587758170	/nfs/dbraw/zinc/75/81/70/587758170.db2.gz	MFKZJDFDIHHQFD-NXEZZACHSA-N	0	1	232.287	0.175	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccccc1F	ZINC000834512063	587758209	/nfs/dbraw/zinc/75/82/09/587758209.db2.gz	RJPBGQAJWRTJFZ-PWSUYJOCSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834511305	587758228	/nfs/dbraw/zinc/75/82/28/587758228.db2.gz	KIRFBTAWDJBMDF-PWSUYJOCSA-N	0	1	229.283	0.836	20	30		BCEDMN
Cc1ccc(O)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834506210	587758353	/nfs/dbraw/zinc/75/83/53/587758353.db2.gz	QSICHWGBIWHEQE-MWLCHTKSSA-N	0	1	245.282	0.542	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)cc1	ZINC000834511147	587758408	/nfs/dbraw/zinc/75/84/08/587758408.db2.gz	ISOUVPBMGCAYPY-CHWSQXEVSA-N	0	1	243.310	0.765	20	30		BCEDMN
CC(C)(C)SCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834516531	587758441	/nfs/dbraw/zinc/75/84/41/587758441.db2.gz	JQPIHWKRUINQTI-BDAKNGLRSA-N	0	1	241.360	0.746	20	30		BCEDMN
CC(C)OCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834517809	587758565	/nfs/dbraw/zinc/75/85/65/587758565.db2.gz	ZJHXRBIBHHYTAQ-ZJUUUORDSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)n1	ZINC000834517616	587758567	/nfs/dbraw/zinc/75/85/67/587758567.db2.gz	XPOVBUYXSXPGFU-ONGXEEELSA-N	0	1	230.271	0.231	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000834551910	587759291	/nfs/dbraw/zinc/75/92/91/587759291.db2.gz	CARQMOWDTJAYLE-ZETCQYMHSA-N	0	1	207.233	0.219	20	30		BCEDMN
C#CCn1cc(CNC(=O)[C@@H]2CCCN2C)cn1	ZINC000834609648	587760814	/nfs/dbraw/zinc/76/08/14/587760814.db2.gz	FWNBJJXAXBKJMR-LBPRGKRZSA-N	0	1	246.314	0.227	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ccncn1	ZINC000835001894	587777194	/nfs/dbraw/zinc/77/71/94/587777194.db2.gz	LITNIPGAAICAMM-QMMMGPOBSA-N	0	1	205.265	0.826	20	30		BCEDMN
C=CCONC(=O)Cc1ncccc1OC	ZINC000837048156	587850880	/nfs/dbraw/zinc/85/08/80/587850880.db2.gz	LWUYHFBKQVDFSW-UHFFFAOYSA-N	0	1	222.244	0.867	20	30		BCEDMN
CN1CCCN(C(=O)C#CC2CC2)CC1	ZINC000837307987	587865137	/nfs/dbraw/zinc/86/51/37/587865137.db2.gz	BWMOAQCCMFZYKU-UHFFFAOYSA-N	0	1	206.289	0.564	20	30		BCEDMN
Cc1occc1C=NNC1=NC[C@@H](C)N1	ZINC000841633594	587962775	/nfs/dbraw/zinc/96/27/75/587962775.db2.gz	LNVLOMBRCMXXNB-SSDOTTSWSA-N	0	1	206.249	0.859	20	30		BCEDMN
CNC(=S)N(C)N=C1CCN2CCC[C@@H]12	ZINC000841645825	587966061	/nfs/dbraw/zinc/96/60/61/587966061.db2.gz	IEQCYUSFWHFVEE-VIFPVBQESA-N	0	1	226.349	0.647	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)cc1C	ZINC000841660209	587969252	/nfs/dbraw/zinc/96/92/52/587969252.db2.gz	WCDANWOPMYTLJS-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
Fc1ccc2c(c1)C(=NNC1=NCCN1)CCO2	ZINC000841660521	587969344	/nfs/dbraw/zinc/96/93/44/587969344.db2.gz	ZIOOFCVPMAFKIR-UHFFFAOYSA-N	0	1	248.261	0.861	20	30		BCEDMN
Cn1cc(C=NNC2=NCCN2)c(C(C)(C)C)n1	ZINC000841659747	587969405	/nfs/dbraw/zinc/96/94/05/587969405.db2.gz	CQAIJOXPBJHKMC-UHFFFAOYSA-N	0	1	248.334	0.600	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc2n[nH]cc2c1	ZINC000841660570	587969811	/nfs/dbraw/zinc/96/98/11/587969811.db2.gz	RRAXSZNUWDACOO-UHFFFAOYSA-N	0	1	242.286	0.836	20	30		BCEDMN
CC(=NNC1=NCCN1)c1occc1C	ZINC000841660933	587970048	/nfs/dbraw/zinc/97/00/48/587970048.db2.gz	LCFOXJCDPSIUMV-UHFFFAOYSA-N	0	1	206.249	0.861	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)c(C)n1C	ZINC000841662353	587970106	/nfs/dbraw/zinc/97/01/06/587970106.db2.gz	WLMCZVBUSJSVAK-UHFFFAOYSA-N	0	1	219.292	0.525	20	30		BCEDMN
COc1ccc(O)c(C(C)=NNC2=NCCN2)c1	ZINC000841661671	587970198	/nfs/dbraw/zinc/97/01/98/587970198.db2.gz	NTRQVRIJRMRGDZ-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
C(=NNC1=NCCN1)c1nc2c(s1)CCCC2	ZINC000841661695	587970416	/nfs/dbraw/zinc/97/04/16/587970416.db2.gz	ZAQZGCRZYPGMHV-UHFFFAOYSA-N	0	1	249.343	0.905	20	30		BCEDMN
C#CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842317273	588016633	/nfs/dbraw/zinc/01/66/33/588016633.db2.gz	RRMXTWYNOCZMRE-BBBLOLIVSA-N	0	1	223.228	0.997	20	30		BCEDMN
C#CC[C@@H]1CCCN(CN2CC(=O)N(C)C2=O)C1	ZINC000842629824	588047172	/nfs/dbraw/zinc/04/71/72/588047172.db2.gz	SAJJATVALGIZRA-LLVKDONJSA-N	0	1	249.314	0.573	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)[nH]1	ZINC000843459106	588111649	/nfs/dbraw/zinc/11/16/49/588111649.db2.gz	BVQCMWRBRLXKMA-GXSJLCMTSA-N	0	1	232.287	0.473	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)[nH]1	ZINC000843459111	588112029	/nfs/dbraw/zinc/11/20/29/588112029.db2.gz	BVQCMWRBRLXKMA-KOLCDFICSA-N	0	1	232.287	0.473	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccn1	ZINC000843461504	588112344	/nfs/dbraw/zinc/11/23/44/588112344.db2.gz	VDKOJGDDUPBGPE-NHCYSSNCSA-N	0	1	244.298	0.413	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000843670911	588131206	/nfs/dbraw/zinc/13/12/06/588131206.db2.gz	TXHNMKQDSLGVLF-HBNTYKKESA-N	0	1	236.271	0.914	20	30		BCEDMN
CS[C@H](C)CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000844194805	588172666	/nfs/dbraw/zinc/17/26/66/588172666.db2.gz	MHKOYDIUSLWYJO-HLTSFMKQSA-N	0	1	227.333	0.356	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\c1cccnc1	ZINC000844194239	588172925	/nfs/dbraw/zinc/17/29/25/588172925.db2.gz	CRUMBZJDLGFYGL-OPVGQWETSA-N	0	1	242.282	0.323	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)cc2F)N1	ZINC000844589939	588205813	/nfs/dbraw/zinc/20/58/13/588205813.db2.gz	LZYSSCYECAPKBX-SSDOTTSWSA-N	0	1	236.250	0.803	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000845623650	588237487	/nfs/dbraw/zinc/23/74/87/588237487.db2.gz	JLJZZUZPKZUZLN-BQBZGAKWSA-N	0	1	225.252	0.671	20	30		BCEDMN
C=C(C)CONC(=O)Cc1nonc1C	ZINC000846534053	588270488	/nfs/dbraw/zinc/27/04/88/588270488.db2.gz	JSMPCFOQJXKRCR-UHFFFAOYSA-N	0	1	211.221	0.544	20	30		BCEDMN
C=C(C)CONC(=O)C1CN(C(C)=O)C1	ZINC000846535215	588271056	/nfs/dbraw/zinc/27/10/56/588271056.db2.gz	TULHODUJGPUFMV-UHFFFAOYSA-N	0	1	212.249	0.089	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000846536754	588271880	/nfs/dbraw/zinc/27/18/80/588271880.db2.gz	YWNYDJOIJBBBCB-NSHDSACASA-N	0	1	239.319	0.000	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCc1nc[nH]n1	ZINC000846545347	588273960	/nfs/dbraw/zinc/27/39/60/588273960.db2.gz	GIAAFEMRYZBAKO-SSDOTTSWSA-N	0	1	210.237	0.360	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC000846549579	588274999	/nfs/dbraw/zinc/27/49/99/588274999.db2.gz	ZERDTORCBHRATJ-ZJUUUORDSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H]1C[N@@H+](CC)CCO1	ZINC000846549579	588275000	/nfs/dbraw/zinc/27/50/00/588275000.db2.gz	ZERDTORCBHRATJ-ZJUUUORDSA-N	0	1	228.292	0.329	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1ccnn1C	ZINC000846554120	588276745	/nfs/dbraw/zinc/27/67/45/588276745.db2.gz	HTDMZUVKXWDQQM-MRVPVSSYSA-N	0	1	209.249	0.585	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)C1CN(CC(F)F)C1	ZINC000846555003	588277066	/nfs/dbraw/zinc/27/70/66/588277066.db2.gz	NDXOBOJWFORHPA-SSDOTTSWSA-N	0	1	234.246	0.806	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000846678645	588282224	/nfs/dbraw/zinc/28/22/24/588282224.db2.gz	WIANGUCSJKNZIK-NZEXEKPDSA-N	0	1	245.326	0.816	20	30		BCEDMN
C#CCN(CC)C[C@@H]1CN(CC)C(=O)O1	ZINC000846812382	588290823	/nfs/dbraw/zinc/29/08/23/588290823.db2.gz	VJJJPNZPUWGZMW-SNVBAGLBSA-N	0	1	210.277	0.782	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N2CCCC2)C1	ZINC000847021126	588303042	/nfs/dbraw/zinc/30/30/42/588303042.db2.gz	JIHKRMUMQWSWGG-LBPRGKRZSA-N	0	1	220.316	0.954	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N2CCN(C)CC2)C1	ZINC000847024076	588303722	/nfs/dbraw/zinc/30/37/22/588303722.db2.gz	PIDZKDKUAUXRJP-CYBMUJFWSA-N	0	1	249.358	0.106	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NC(C)C)C1	ZINC000847026167	588304105	/nfs/dbraw/zinc/30/41/05/588304105.db2.gz	BSHXBCUKEWOTGS-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
C#C[C@@H](NC(=O)C1(N(C)C)CC1)C(C)C	ZINC000847112188	588306544	/nfs/dbraw/zinc/30/65/44/588306544.db2.gz	AEJVFOMVDWOYBB-SNVBAGLBSA-N	0	1	208.305	0.855	20	30		BCEDMN
C#CCCNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000847496278	588314694	/nfs/dbraw/zinc/31/46/94/588314694.db2.gz	LUOLGFWEUDWCHV-SECBINFHSA-N	0	1	205.261	0.728	20	30		BCEDMN
C#CCOCCNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000847719059	588327487	/nfs/dbraw/zinc/32/74/87/588327487.db2.gz	IZZYKAXKLROGRJ-JTQLQIEISA-N	0	1	235.287	0.354	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC000848035068	588349241	/nfs/dbraw/zinc/34/92/41/588349241.db2.gz	KORKOZQGGFLTTF-RYUDHWBXSA-N	0	1	238.331	0.219	20	30		BCEDMN
C=CCONC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000848200372	588365877	/nfs/dbraw/zinc/36/58/77/588365877.db2.gz	KQKIQNCOVHCLQD-QMMMGPOBSA-N	0	1	209.249	0.822	20	30		BCEDMN
C[C@H]1CCC[N@H+]1CCNc1ccnc(C#N)n1	ZINC000848669786	588404501	/nfs/dbraw/zinc/40/45/01/588404501.db2.gz	IXZUQXCJWXBKHW-JTQLQIEISA-N	0	1	231.303	0.666	20	30		BCEDMN
C[C@@H]1CCC[N@H+]1CCNc1ccnc(C#N)n1	ZINC000848669787	588404614	/nfs/dbraw/zinc/40/46/14/588404614.db2.gz	IXZUQXCJWXBKHW-SNVBAGLBSA-N	0	1	231.303	0.666	20	30		BCEDMN
CC(C)(O)CONc1ccnc(C#N)n1	ZINC000848692455	588406439	/nfs/dbraw/zinc/40/64/39/588406439.db2.gz	PWZAQLIFZVUJAS-UHFFFAOYSA-N	0	1	208.221	0.463	20	30		BCEDMN
CON(C)C(=O)CCN1CC(CC#N)C1	ZINC000849327847	588472850	/nfs/dbraw/zinc/47/28/50/588472850.db2.gz	VSZUUOZKCGWLII-UHFFFAOYSA-N	0	1	211.265	0.242	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](OC)C1CCCC1	ZINC000850764496	588565991	/nfs/dbraw/zinc/56/59/91/588565991.db2.gz	RCMMQNSBLACYIR-GXSJLCMTSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850825513	588569484	/nfs/dbraw/zinc/56/94/84/588569484.db2.gz	AKFAPUUFOVYFLE-WUHRBBMRSA-N	0	1	249.310	0.520	20	30		BCEDMN
C#C[C@H](C)N(C)CCc1nnn(C(C)(C)C)n1	ZINC000851990313	588652160	/nfs/dbraw/zinc/65/21/60/588652160.db2.gz	QTKLUAJFJDPODM-JTQLQIEISA-N	0	1	235.335	0.924	20	30		BCEDMN
C#CCOCCN1CCO[C@]2(CCO[C@H]2C)C1	ZINC000851999139	588654068	/nfs/dbraw/zinc/65/40/68/588654068.db2.gz	YODOHBKYXPPWRZ-QWHCGFSZSA-N	0	1	239.315	0.516	20	30		BCEDMN
C#CCOCC[N@H+]1CCN(CC)C[C@H]1C	ZINC000852041956	588657465	/nfs/dbraw/zinc/65/74/65/588657465.db2.gz	SVUXUOJKSHQYPE-GFCCVEGCSA-N	0	1	210.321	0.662	20	30		BCEDMN
C=C[C@H](CO)NC(=O)NCc1cc(CC)[nH]n1	ZINC000852130882	588665830	/nfs/dbraw/zinc/66/58/30/588665830.db2.gz	JSTGDUCLAFPIIP-SECBINFHSA-N	0	1	238.291	0.318	20	30		BCEDMN
C#C[C@H](C)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852261403	588674662	/nfs/dbraw/zinc/67/46/62/588674662.db2.gz	ADRAWIQJCDBGAH-QMMMGPOBSA-N	0	1	206.249	0.573	20	30		BCEDMN
CC#CCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432556	588682063	/nfs/dbraw/zinc/68/20/63/588682063.db2.gz	KBPGDJXCOQNEDL-SNVBAGLBSA-N	0	1	208.261	0.536	20	30		BCEDMN
CCCn1nccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852827829	588706245	/nfs/dbraw/zinc/70/62/45/588706245.db2.gz	QGBGDYRRBWTYJD-UWVGGRQHSA-N	0	1	247.302	0.134	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000852827285	588706251	/nfs/dbraw/zinc/70/62/51/588706251.db2.gz	FVYGBINUMIMLOB-JCIQBVFBSA-N	0	1	233.315	0.650	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000852827578	588706297	/nfs/dbraw/zinc/70/62/97/588706297.db2.gz	LKRQYRAIFAAHSE-KJPMQGKISA-N	0	1	219.288	0.260	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000852827576	588706378	/nfs/dbraw/zinc/70/63/78/588706378.db2.gz	LKRQYRAIFAAHSE-GEVSDDDWSA-N	0	1	219.288	0.260	20	30		BCEDMN
CO[C@@H]1CC[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)C1	ZINC000852827764	588706423	/nfs/dbraw/zinc/70/64/23/588706423.db2.gz	PBYTWYRVEATBOT-MMWGEVLESA-N	0	1	237.303	0.029	20	30		BCEDMN
CCCn1nccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852827830	588706475	/nfs/dbraw/zinc/70/64/75/588706475.db2.gz	QGBGDYRRBWTYJD-VHSXEESVSA-N	0	1	247.302	0.134	20	30		BCEDMN
C=CCCNC(=O)c1[nH]nc2c1CNCC2	ZINC000852845082	588707581	/nfs/dbraw/zinc/70/75/81/588707581.db2.gz	CKQJBXWPLWWFSM-UHFFFAOYSA-N	0	1	220.276	0.361	20	30		BCEDMN
CCC(F)(F)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852874559	588709938	/nfs/dbraw/zinc/70/99/38/588709938.db2.gz	AVJCPQIIIWDNGZ-NKWVEPMBSA-N	0	1	217.219	0.259	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NC[C@@H]1COCCN1	ZINC000861683858	589174060	/nfs/dbraw/zinc/17/40/60/589174060.db2.gz	BVFPNRUVWFPBHL-WDEREUQCSA-N	0	1	239.319	0.076	20	30		BCEDMN
C#CCOCCC(=O)N1CCc2nc[nH]c2C1	ZINC000861760345	589176833	/nfs/dbraw/zinc/17/68/33/589176833.db2.gz	BDFRKBMQQIJPCT-UHFFFAOYSA-N	0	1	233.271	0.334	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnc(C3CC3)o2)N1	ZINC000863105722	589256682	/nfs/dbraw/zinc/25/66/82/589256682.db2.gz	YRGNENHITBEKKJ-SSDOTTSWSA-N	0	1	233.275	0.823	20	30		BCEDMN
c1nc2c(s1)CCCC2=NNC1=NCCN1	ZINC000863119866	589260496	/nfs/dbraw/zinc/26/04/96/589260496.db2.gz	JMLVVWFFRCVUCB-UHFFFAOYSA-N	0	1	235.316	0.732	20	30		BCEDMN
C[C@H]1C[N@H+](C2CC2)CC1N=NCC(C)(C)O	ZINC000863138080	589262085	/nfs/dbraw/zinc/26/20/85/589262085.db2.gz	YRRGSRPKJBERAG-VIFPVBQESA-N	0	1	225.336	0.817	20	30		BCEDMN
Cc1cc(NN=C2C(=O)OC[C@H]2C)ccn1	ZINC000863159639	589264480	/nfs/dbraw/zinc/26/44/80/589264480.db2.gz	YMXMZZZWWWVJNK-SSDOTTSWSA-N	0	1	219.244	0.773	20	30		BCEDMN
Cc1cc(NN=C2C(=O)OC[C@@H]2C)ccn1	ZINC000863159641	589264788	/nfs/dbraw/zinc/26/47/88/589264788.db2.gz	YMXMZZZWWWVJNK-ZETCQYMHSA-N	0	1	219.244	0.773	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CN1CC[C@@H](C)C1	ZINC000863804435	589320155	/nfs/dbraw/zinc/32/01/55/589320155.db2.gz	FSABDBNBCBCKGO-VXGBXAGGSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCN(CC#C)C(=O)C[N@H+](C)C1CCC1	ZINC000863900517	589324562	/nfs/dbraw/zinc/32/45/62/589324562.db2.gz	XANSZYDQBVUMKK-UHFFFAOYSA-N	0	1	218.300	0.566	20	30		BCEDMN
C=CCONC(=O)[C@H](C)c1cncnc1	ZINC000863924870	589326892	/nfs/dbraw/zinc/32/68/92/589326892.db2.gz	PDKCDWCDTIZQKT-MRVPVSSYSA-N	0	1	207.233	0.814	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)[C@]1(C#N)CCCOC1	ZINC000864776781	589393638	/nfs/dbraw/zinc/39/36/38/589393638.db2.gz	YQHCPNIRGBAWBH-LBPRGKRZSA-N	0	1	248.286	0.655	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864832897	589397114	/nfs/dbraw/zinc/39/71/14/589397114.db2.gz	TWEYIOJLZHKZBF-SNVBAGLBSA-N	0	1	223.276	0.868	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)CCc1c[nH]nn1	ZINC000865078848	589407750	/nfs/dbraw/zinc/40/77/50/589407750.db2.gz	VUJQZILORIEIHL-SNVBAGLBSA-N	0	1	221.264	0.546	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)CCc1cnn[nH]1	ZINC000865078848	589407751	/nfs/dbraw/zinc/40/77/51/589407751.db2.gz	VUJQZILORIEIHL-SNVBAGLBSA-N	0	1	221.264	0.546	20	30		BCEDMN
C=CCN(C(=O)Cc1ncn[nH]1)C(C)C	ZINC000865162937	589411906	/nfs/dbraw/zinc/41/19/06/589411906.db2.gz	CSYYCSYPYROYHB-UHFFFAOYSA-N	0	1	208.265	0.770	20	30		BCEDMN
C=CCN(C(=O)CCc1nn[nH]n1)C(C)C	ZINC000865163723	589412329	/nfs/dbraw/zinc/41/23/29/589412329.db2.gz	PJVUMBMWAGHPFT-UHFFFAOYSA-N	0	1	223.280	0.555	20	30		BCEDMN
Cc1cc(CNC(=O)[C@]2(C#N)CCCOC2)n[nH]1	ZINC000865851442	589465045	/nfs/dbraw/zinc/46/50/45/589465045.db2.gz	NEJUWEJAQWCGIU-LBPRGKRZSA-N	0	1	248.286	0.655	20	30		BCEDMN
C#CCCCCNC(=O)CCc1c[nH]nn1	ZINC000866547975	589500343	/nfs/dbraw/zinc/50/03/43/589500343.db2.gz	HLTIBXXXMRBDQC-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C#CCCCCNC(=O)CCc1cnn[nH]1	ZINC000866547975	589500345	/nfs/dbraw/zinc/50/03/45/589500345.db2.gz	HLTIBXXXMRBDQC-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)CCc1nn[nH]n1	ZINC000868630180	589569537	/nfs/dbraw/zinc/56/95/37/589569537.db2.gz	RXFYLXBMRQNBFH-SNVBAGLBSA-N	0	1	221.264	0.050	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869187519	589592306	/nfs/dbraw/zinc/59/23/06/589592306.db2.gz	TXOQZDDYXXAWAL-KOLCDFICSA-N	0	1	233.271	0.315	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1	ZINC000869252146	589594165	/nfs/dbraw/zinc/59/41/65/589594165.db2.gz	DYLXTXSZPRKUOJ-SECBINFHSA-N	0	1	246.257	0.645	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCCN(CC(F)F)C1	ZINC000869252146	589594166	/nfs/dbraw/zinc/59/41/66/589594166.db2.gz	DYLXTXSZPRKUOJ-SECBINFHSA-N	0	1	246.257	0.645	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869294167	589596673	/nfs/dbraw/zinc/59/66/73/589596673.db2.gz	IKCZSMKDSSPOKG-KOLCDFICSA-N	0	1	234.259	0.205	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869393398	589603068	/nfs/dbraw/zinc/60/30/68/589603068.db2.gz	MKUFJSAEVIGCCP-SECBINFHSA-N	0	1	218.260	0.219	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869395358	589603432	/nfs/dbraw/zinc/60/34/32/589603432.db2.gz	WJLKDYGQRSPJIT-KOLCDFICSA-N	0	1	235.287	0.868	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C	ZINC000870154094	589645956	/nfs/dbraw/zinc/64/59/56/589645956.db2.gz	YMVKHVJCKHZTDA-VAPHQMJDSA-N	0	1	220.272	0.733	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)/C=C/COC	ZINC000870194090	589648497	/nfs/dbraw/zinc/64/84/97/589648497.db2.gz	IRUUEWXXOCZROR-HOSRBBHYSA-N	0	1	237.299	0.830	20	30		BCEDMN
C=C[C@H](OC(=O)[C@@H](C(C)C)N(C)C)C(=O)OC	ZINC000870532537	589672011	/nfs/dbraw/zinc/67/20/11/589672011.db2.gz	WTGUTMRBNMDZON-VHSXEESVSA-N	0	1	243.303	0.843	20	30		BCEDMN
N#Cc1cccc(ONC(=O)C2CC(=O)C2)c1	ZINC000870691378	589684271	/nfs/dbraw/zinc/68/42/71/589684271.db2.gz	JNIPFCYHQOUMGT-UHFFFAOYSA-N	0	1	230.223	0.947	20	30		BCEDMN
C#CCN(C)c1nnc(Cc2cc(C)n[nH]2)n1C	ZINC000871024144	589714660	/nfs/dbraw/zinc/71/46/60/589714660.db2.gz	MQTMUZPYSLIRMP-UHFFFAOYSA-N	0	1	244.302	0.507	20	30		BCEDMN
C[NH+](C)CC(=O)Nc1nc2cc(C#N)ccc2[nH]1	ZINC000871069891	589719917	/nfs/dbraw/zinc/71/99/17/589719917.db2.gz	BAYYNTOTNRFZPQ-UHFFFAOYSA-N	0	1	243.270	0.935	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H]1CCCn2nccc21	ZINC000871930668	589834159	/nfs/dbraw/zinc/83/41/59/589834159.db2.gz	ZDCJDKCCPYEIFJ-WDEREUQCSA-N	0	1	246.314	0.446	20	30		BCEDMN
C=CCCc1noc([C@@H](N)CN(C)C)n1	ZINC000872182780	589888525	/nfs/dbraw/zinc/88/85/25/589888525.db2.gz	QMVXRVFGACRTLY-QMMMGPOBSA-N	0	1	210.281	0.750	20	30		BCEDMN
CC(C)(O)C[C@H](O)CNCC1(C#N)CC1	ZINC000872207266	589890970	/nfs/dbraw/zinc/89/09/70/589890970.db2.gz	RAYMNSXETPJHSS-VIFPVBQESA-N	0	1	212.293	0.402	20	30		BCEDMN
Cc1nnc(N=NC2CC[N@@H+](C)[C@@H]2C)[n-]c1=O	ZINC000872331693	589913551	/nfs/dbraw/zinc/91/35/51/589913551.db2.gz	RLQMQESZXOXSLA-SSDOTTSWSA-N	0	1	236.279	0.378	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@@H](C)N2)c(O)c1	ZINC000872363318	589920048	/nfs/dbraw/zinc/92/00/48/589920048.db2.gz	BYLWTJRXRDMYML-SECBINFHSA-N	0	1	232.287	0.972	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn(C3CC3)cn2)N1	ZINC000872365018	589920885	/nfs/dbraw/zinc/92/08/85/589920885.db2.gz	ZNGHKJMHJVMASC-QMMMGPOBSA-N	0	1	232.291	0.489	20	30		BCEDMN
C[C@@H](O)CNN=Cc1ccc(F)c(F)c1O	ZINC000872377700	589926352	/nfs/dbraw/zinc/92/63/52/589926352.db2.gz	IGSZMGNMMGZYDC-ZCFIWIBFSA-N	0	1	230.214	0.975	20	30		BCEDMN
Cn1nncc1NN=Cc1cn(C2CC2)cn1	ZINC000872379458	589927344	/nfs/dbraw/zinc/92/73/44/589927344.db2.gz	ZAWCWTPRLJTAHC-UHFFFAOYSA-N	0	1	231.263	0.793	20	30		BCEDMN
C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000124673734	590071964	/nfs/dbraw/zinc/07/19/64/590071964.db2.gz	HFJJTJNTMPNTPD-LPEHRKFASA-N	0	1	220.272	0.974	20	30		BCEDMN
C=C(Br)CNC(=O)[C@@H](C)N(C)C	ZINC000874214322	590097044	/nfs/dbraw/zinc/09/70/44/590097044.db2.gz	ZVPQGUULTWVRPN-SSDOTTSWSA-N	0	1	235.125	0.961	20	30		BCEDMN
CN(C(=O)CN1CCCC1)C1(C#N)CCC1	ZINC000874175209	590095544	/nfs/dbraw/zinc/09/55/44/590095544.db2.gz	TXSSJAXPVGMXCE-UHFFFAOYSA-N	0	1	221.304	0.987	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)CN1CCCC1	ZINC000874262842	590100398	/nfs/dbraw/zinc/10/03/98/590100398.db2.gz	MBNFUYSKRZQDCW-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)CN1CCCC1	ZINC000874357866	590105950	/nfs/dbraw/zinc/10/59/50/590105950.db2.gz	GOIWXHIFSAKFBS-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@H](C)C#N)CC1	ZINC000876449889	590201206	/nfs/dbraw/zinc/20/12/06/590201206.db2.gz	RIYVAOVBEOQASC-LLVKDONJSA-N	0	1	233.315	0.702	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)C#CC(C)(C)C	ZINC000876515593	590206344	/nfs/dbraw/zinc/20/63/44/590206344.db2.gz	VMXAZPFPDLMKII-JTQLQIEISA-N	0	1	208.305	0.856	20	30		BCEDMN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876801760	590243107	/nfs/dbraw/zinc/24/31/07/590243107.db2.gz	ILNMVORKBXZSIE-CNOCOONNSA-N	0	1	233.315	0.506	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CCCC12CC2	ZINC000876801325	590243298	/nfs/dbraw/zinc/24/32/98/590243298.db2.gz	BBCMHTZPNFDPJF-MXWKQRLJSA-N	0	1	233.315	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C12CC(C1)C2	ZINC000876801401	590243469	/nfs/dbraw/zinc/24/34/69/590243469.db2.gz	BVICUPAEZNHEDL-QMFGVRBNSA-N	0	1	205.261	0.014	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC(F)(F)C1	ZINC000876803891	590243720	/nfs/dbraw/zinc/24/37/20/590243720.db2.gz	YUODRKMIRNEQHT-HTQZYQBOSA-N	0	1	243.257	0.650	20	30		BCEDMN
CNc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000876803018	590243874	/nfs/dbraw/zinc/24/38/74/590243874.db2.gz	UEKMTBFPVQVYJQ-CMPLNLGQSA-N	0	1	244.298	0.570	20	30		BCEDMN
CCC[C@H](OCC)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876803912	590243931	/nfs/dbraw/zinc/24/39/31/590243931.db2.gz	ZKROLSMPQNITNH-AXFHLTTASA-N	0	1	239.319	0.419	20	30		BCEDMN
COC(=O)CCN(CC#N)Cc1[nH]ncc1C	ZINC000877710856	590398319	/nfs/dbraw/zinc/39/83/19/590398319.db2.gz	VZSCYRSKHGRGJP-UHFFFAOYSA-N	0	1	236.275	0.607	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1	ZINC000877748588	590412633	/nfs/dbraw/zinc/41/26/33/590412633.db2.gz	FZVYRBSFHKTFAY-OLZOCXBDSA-N	0	1	232.283	0.486	20	30		BCEDMN
C=CC[C@@H](C)[N@@H+](C)CC(=O)N1CCOCC1	ZINC000877940169	590452969	/nfs/dbraw/zinc/45/29/69/590452969.db2.gz	KUYJWNMMNOKDNR-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@H](CO)C1	ZINC000878123546	590500360	/nfs/dbraw/zinc/50/03/60/590500360.db2.gz	BGDGQJGDQQBHML-UWVGGRQHSA-N	0	1	213.277	0.418	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@@H](CO)C1	ZINC000878123548	590500502	/nfs/dbraw/zinc/50/05/02/590500502.db2.gz	BGDGQJGDQQBHML-ZJUUUORDSA-N	0	1	213.277	0.418	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCC[C@@](C)(O)C1	ZINC000878328260	590546978	/nfs/dbraw/zinc/54/69/78/590546978.db2.gz	FZXCTFFXQHDNSX-ZYHUDNBSSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@@H](C(=O)NC)C1	ZINC000878397571	590559646	/nfs/dbraw/zinc/55/96/46/590559646.db2.gz	WRURSYGWNXJNMS-NXEZZACHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCCCCCN1CCO[C@@H](C(=O)NC)C1	ZINC000878396341	590559778	/nfs/dbraw/zinc/55/97/78/590559778.db2.gz	KXUZJQMHDQSLQJ-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@H](C(=O)NC)C1	ZINC000878397572	590559975	/nfs/dbraw/zinc/55/99/75/590559975.db2.gz	WRURSYGWNXJNMS-UWVGGRQHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#C[C@H](NCCN(C#N)CC)[C@@H]1CCCO1	ZINC000878454185	590571052	/nfs/dbraw/zinc/57/10/52/590571052.db2.gz	VBVPNBSQMRJKKZ-RYUDHWBXSA-N	0	1	221.304	0.560	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@@](O)(CC)C1	ZINC000878465969	590572559	/nfs/dbraw/zinc/57/25/59/590572559.db2.gz	IZAPJNVYVILVJW-JQWIXIFHSA-N	0	1	227.304	0.951	20	30		BCEDMN
C#C[C@@H](C)[N@@H+](C)C[C@H](O)CC1(O)CCCC1	ZINC000878517748	590585231	/nfs/dbraw/zinc/58/52/31/590585231.db2.gz	WJMGXKXCJNGDDM-VXGBXAGGSA-N	0	1	225.332	0.996	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000878518028	590585465	/nfs/dbraw/zinc/58/54/65/590585465.db2.gz	YYYJXSAXBRHNQD-CYZMBNFOSA-N	0	1	225.332	0.852	20	30		BCEDMN
C#CCOCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000878772339	590621156	/nfs/dbraw/zinc/62/11/56/590621156.db2.gz	LDFIVGPJSNGHOG-BETUJISGSA-N	0	1	235.331	0.554	20	30		BCEDMN
C=C(Cl)CN1CCN(Cc2nnc[nH]2)CC1	ZINC000878809739	590626611	/nfs/dbraw/zinc/62/66/11/590626611.db2.gz	YPNHNFNHWAMUGT-UHFFFAOYSA-N	0	1	241.726	0.675	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000878820600	590627792	/nfs/dbraw/zinc/62/77/92/590627792.db2.gz	NABQHCQWWBOLTO-ADEWGFFLSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCCCN1CCN(c2nc[nH]n2)CC1	ZINC000878823965	590628448	/nfs/dbraw/zinc/62/84/48/590628448.db2.gz	NEUTVMZICGPVQY-UHFFFAOYSA-N	0	1	219.292	0.340	20	30		BCEDMN
C=C(Cl)CN1[C@H](CO)CC[C@H]1CO	ZINC000878881932	590637837	/nfs/dbraw/zinc/63/78/37/590637837.db2.gz	UWZIFCRZWZHYTB-IUCAKERBSA-N	0	1	205.685	0.557	20	30		BCEDMN
Cn1nnnc1CCN1CCC[C@H](CC#N)C1	ZINC000878886762	590639420	/nfs/dbraw/zinc/63/94/20/590639420.db2.gz	ONRVVHFNFWTXDH-SNVBAGLBSA-N	0	1	234.307	0.378	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(C#N)o1	ZINC000878980802	590667904	/nfs/dbraw/zinc/66/79/04/590667904.db2.gz	FMXJMPWHQUKSSW-SKDRFNHKSA-N	0	1	236.271	0.469	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@H](Cn2ccnn2)C1	ZINC000878985474	590668562	/nfs/dbraw/zinc/66/85/62/590668562.db2.gz	FQMQUXXBTYLSTN-NEPJUHHUSA-N	0	1	236.319	0.944	20	30		BCEDMN
COCC#CCN1CCC([C@@H](F)C(N)=O)CC1	ZINC000879041279	590684253	/nfs/dbraw/zinc/68/42/53/590684253.db2.gz	DBRAMDCKDBSNGX-LLVKDONJSA-N	0	1	242.294	0.172	20	30		BCEDMN
CC#CCN1CCC([C@H](F)C(N)=O)CC1	ZINC000879041572	590684442	/nfs/dbraw/zinc/68/44/42/590684442.db2.gz	HPXVDMRJJNZTMD-JTQLQIEISA-N	0	1	212.268	0.545	20	30		BCEDMN
C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#N	ZINC000879173293	590707076	/nfs/dbraw/zinc/70/70/76/590707076.db2.gz	ISDDRTJIPSCQKI-OIBJUYFYSA-N	0	1	218.260	0.715	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1c[nH]nc1C	ZINC000879188856	590709992	/nfs/dbraw/zinc/70/99/92/590709992.db2.gz	QYZCJPLPMGHKNT-UHFFFAOYSA-N	0	1	234.303	0.289	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](OC)CC[C@@H]1C	ZINC000879317802	590737418	/nfs/dbraw/zinc/73/74/18/590737418.db2.gz	HVWJEINJNWFRJS-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CO[C@H]1CC[C@@H](C)N(CC(=O)NCCC#N)C1	ZINC000879319315	590739971	/nfs/dbraw/zinc/73/99/71/590739971.db2.gz	VJLAYENMDRVWCB-MNOVXSKESA-N	0	1	239.319	0.516	20	30		BCEDMN
CO[C@@H]1CC[C@@H](C)N(CC(=O)NCCC#N)C1	ZINC000879319314	590740782	/nfs/dbraw/zinc/74/07/82/590740782.db2.gz	VJLAYENMDRVWCB-GHMZBOCLSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1C[C@H](O)CC(C)(C)C1	ZINC000879616699	590832039	/nfs/dbraw/zinc/83/20/39/590832039.db2.gz	ISWOAMHIDZEAHE-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCCCN1CCC[C@H]2OCCNC(=O)[C@H]21	ZINC000879720811	590854938	/nfs/dbraw/zinc/85/49/38/590854938.db2.gz	HQLVUVNRSDXAHK-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
COCC1(N(C)CC(=O)NCC#N)CCC1	ZINC000880186393	590953661	/nfs/dbraw/zinc/95/36/61/590953661.db2.gz	CWQWESKNRYACHX-UHFFFAOYSA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CCOC[C@@H]1OC	ZINC000880424223	591030521	/nfs/dbraw/zinc/03/05/21/591030521.db2.gz	GNCNFJFJPZRMQC-MNOVXSKESA-N	0	1	242.319	0.024	20	30		BCEDMN
C#CCC1(O)CCN([C@H](C)C(=O)N(C)C)CC1	ZINC000880476843	591054182	/nfs/dbraw/zinc/05/41/82/591054182.db2.gz	HSAJZRSHRLBKPM-LLVKDONJSA-N	0	1	238.331	0.313	20	30		BCEDMN
C#CCC1(O)CCN(Cc2ccnn2C)CC1	ZINC000880481668	591056011	/nfs/dbraw/zinc/05/60/11/591056011.db2.gz	XQKPMXQEBGUZKM-UHFFFAOYSA-N	0	1	233.315	0.770	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)CN(C)C)C(=O)OCC	ZINC000881752633	591269529	/nfs/dbraw/zinc/26/95/29/591269529.db2.gz	VTNAEFNKCOFOMB-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCCOCC(=O)NC[C@H]1CCN1CC	ZINC000882484936	591362060	/nfs/dbraw/zinc/36/20/60/591362060.db2.gz	ODHRIVNSSWZPQY-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1cc(C#N)ccn1	ZINC000882491659	591368085	/nfs/dbraw/zinc/36/80/85/591368085.db2.gz	IMFFDCXLKHIZRQ-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCn1cc(C(=O)NC[C@@H]2CCN2CC)nn1	ZINC000882496255	591378438	/nfs/dbraw/zinc/37/84/38/591378438.db2.gz	ZXXQSRQRKDCSAJ-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)C1(N(C)C)CC1	ZINC000882902426	591471864	/nfs/dbraw/zinc/47/18/64/591471864.db2.gz	GVIDEAQUPHCZRP-SNVBAGLBSA-N	0	1	226.320	0.524	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCCO1	ZINC000131000423	591540585	/nfs/dbraw/zinc/54/05/85/591540585.db2.gz	RSCITUGMMWCCDM-NXEZZACHSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc(Cl)n1C	ZINC000883125567	591544776	/nfs/dbraw/zinc/54/47/76/591544776.db2.gz	MUPLIVXHEJPMQF-QMMMGPOBSA-N	0	1	227.695	0.547	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccc(C)nn1	ZINC000883156748	591556116	/nfs/dbraw/zinc/55/61/16/591556116.db2.gz	XVIADKHNLKMPFC-LBPRGKRZSA-N	0	1	219.288	0.649	20	30		BCEDMN
C=CCC[C@H](C)NCc1nnc2n1CCNC2=O	ZINC000883304087	591610809	/nfs/dbraw/zinc/61/08/09/591610809.db2.gz	NEIAIZBNBWDIIG-VIFPVBQESA-N	0	1	249.318	0.466	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1cn(C)cn1	ZINC000883400496	591647474	/nfs/dbraw/zinc/64/74/74/591647474.db2.gz	ODNMASZBRYOFDG-SNVBAGLBSA-N	0	1	209.293	0.837	20	30		BCEDMN
CC#CCNC(=O)NC[C@@H]1CCN1CC	ZINC000883541882	591689001	/nfs/dbraw/zinc/68/90/01/591689001.db2.gz	VDOUXPYQUNVZQB-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C=CCOCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883560633	591691693	/nfs/dbraw/zinc/69/16/93/591691693.db2.gz	JHSWGLKZDSKXSX-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C#CCOCCNC(=O)NC[C@H]1CCN1CC	ZINC000883566291	591693256	/nfs/dbraw/zinc/69/32/56/591693256.db2.gz	RREGUMMLISXXLY-LLVKDONJSA-N	0	1	239.319	0.030	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)C(C)(C)C1	ZINC000883581257	591695945	/nfs/dbraw/zinc/69/59/45/591695945.db2.gz	TUDPBBOVHRHHAQ-JTQLQIEISA-N	0	1	223.320	0.744	20	30		BCEDMN
CC#CCCNC(=O)NC[C@H]1CCN1CC	ZINC000883625946	591705805	/nfs/dbraw/zinc/70/58/05/591705805.db2.gz	MSTVYBZZKSGDIF-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
C=CCONC(=O)NC[C@H]1CCN1CC	ZINC000883733103	591729347	/nfs/dbraw/zinc/72/93/47/591729347.db2.gz	JWLMOIWVLAFRDM-SECBINFHSA-N	0	1	213.281	0.497	20	30		BCEDMN
C=C(C)CONC(=O)NC[C@H]1CCN1CC	ZINC000883764239	591736743	/nfs/dbraw/zinc/73/67/43/591736743.db2.gz	UVMRODRJDUJNKH-SNVBAGLBSA-N	0	1	227.308	0.888	20	30		BCEDMN
C=C(C)CONC(=O)NC[C@@H]1CCN1CC	ZINC000883764238	591736932	/nfs/dbraw/zinc/73/69/32/591736932.db2.gz	UVMRODRJDUJNKH-JTQLQIEISA-N	0	1	227.308	0.888	20	30		BCEDMN
C=CCN(C)C(=O)NC[C@H]1CCN1CC	ZINC000883897026	591764883	/nfs/dbraw/zinc/76/48/83/591764883.db2.gz	ZIXYZBNDSZJJHY-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCN1CC	ZINC000883896328	591765263	/nfs/dbraw/zinc/76/52/63/591765263.db2.gz	NMFDPUAAXNNCKF-MNOVXSKESA-N	0	1	241.335	0.317	20	30		BCEDMN
C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H](C)N1	ZINC000884030307	591814164	/nfs/dbraw/zinc/81/41/64/591814164.db2.gz	LVVYQNBFEMLKQO-IUCAKERBSA-N	0	1	232.287	0.709	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)nc1	ZINC000884249973	591884019	/nfs/dbraw/zinc/88/40/19/591884019.db2.gz	VEWSSCMCVQDUEI-ONGXEEELSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1cnc(F)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000884249840	591884085	/nfs/dbraw/zinc/88/40/85/591884085.db2.gz	SAPZQZJEXUEPHY-WCBMZHEXSA-N	0	1	248.261	0.371	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000884250273	591884130	/nfs/dbraw/zinc/88/41/30/591884130.db2.gz	ATRCBUFGEDUDLH-BJDJZHNGSA-N	0	1	233.315	0.650	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1c[nH]cc1C1CC1	ZINC000884250725	591884254	/nfs/dbraw/zinc/88/42/54/591884254.db2.gz	MGDKOJLGSPNWBN-JOYOIKCWSA-N	0	1	244.298	0.733	20	30		BCEDMN
C=CCC1(O)CCN(Cn2cnnc2)CC1	ZINC000884479054	591951271	/nfs/dbraw/zinc/95/12/71/591951271.db2.gz	UOMODQMIKMKWEK-UHFFFAOYSA-N	0	1	222.292	0.639	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1CCSCC1	ZINC000134984963	591967509	/nfs/dbraw/zinc/96/75/09/591967509.db2.gz	ORQHJBQVAFPASB-VIFPVBQESA-N	0	1	240.328	0.975	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CC(=O)CC[C@H]1C	ZINC000885083863	592049209	/nfs/dbraw/zinc/04/92/09/592049209.db2.gz	XNEQDYXEQUUNGW-SNVBAGLBSA-N	0	1	224.304	0.684	20	30		BCEDMN
CCN(CC(N)=O)C[C@H](O)CC1(C#N)CCC1	ZINC000886166416	592167999	/nfs/dbraw/zinc/16/79/99/592167999.db2.gz	HWGRPMWQLRRUQW-SNVBAGLBSA-N	0	1	239.319	0.238	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cnn(CC)n2)C1	ZINC000886209679	592176890	/nfs/dbraw/zinc/17/68/90/592176890.db2.gz	SBVSBHVOQOBPDW-GFCCVEGCSA-N	0	1	247.346	0.485	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cocn2)C1	ZINC000886211438	592177169	/nfs/dbraw/zinc/17/71/69/592177169.db2.gz	PFRBFSZTSJOXBZ-NSHDSACASA-N	0	1	219.288	0.862	20	30		BCEDMN
C[C@](O)(CN1CC[C@@](O)(CC#N)C1)C(F)F	ZINC000886265400	592189867	/nfs/dbraw/zinc/18/98/67/592189867.db2.gz	HWIOLUQDBXBLDH-UWVGGRQHSA-N	0	1	234.246	0.353	20	30		BCEDMN
CCN(C(=O)C(C)C#N)C(C)(C)C(=O)OC	ZINC000886424486	592224209	/nfs/dbraw/zinc/22/42/09/592224209.db2.gz	PBBLEYQVOIBALN-MRVPVSSYSA-N	0	1	226.276	0.946	20	30		BCEDMN
COC(=O)[C@]12C[C@H]1CCCN2C(=O)C(C)C#N	ZINC000886343752	592212184	/nfs/dbraw/zinc/21/21/84/592212184.db2.gz	HOUNOGROBYQWPD-SBMIAAHKSA-N	0	1	236.271	0.700	20	30		BCEDMN
C=CCCCNC(=O)NCc1n[nH]c(=O)n1C	ZINC000888920401	592312900	/nfs/dbraw/zinc/31/29/00/592312900.db2.gz	UZVNEVXXXYBAQB-UHFFFAOYSA-N	0	1	239.279	0.286	20	30		BCEDMN
Cc1cc(C(=O)N2CCO[C@](C)(C#N)C2)n[nH]1	ZINC000887672928	592539956	/nfs/dbraw/zinc/53/99/56/592539956.db2.gz	LDKVLDWOIYFZFG-LLVKDONJSA-N	0	1	234.259	0.473	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887677514	592540404	/nfs/dbraw/zinc/54/04/04/592540404.db2.gz	YPFRKYMDENFRKO-JQWIXIFHSA-N	0	1	237.303	0.222	20	30		BCEDMN
CC(C#N)C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887676830	592540412	/nfs/dbraw/zinc/54/04/12/592540412.db2.gz	LEGYEAXTKDVTMA-SCZZXKLOSA-N	0	1	207.233	0.287	20	30		BCEDMN
C#CCSCC(=O)NCc1n[nH]c(C)n1	ZINC000889696234	592646119	/nfs/dbraw/zinc/64/61/19/592646119.db2.gz	FQNGZCXIIDCMNI-UHFFFAOYSA-N	0	1	224.289	0.096	20	30		BCEDMN
C=CC[N@@H+](CC(=O)NCC(=O)[O-])C(C)C	ZINC000309666402	597770371	/nfs/dbraw/zinc/77/03/71/597770371.db2.gz	IBTDMKNDNACGNV-UHFFFAOYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCCC[N@H+](C)[C@H](C)C(=O)NCC(=O)[O-]	ZINC000736102311	600262923	/nfs/dbraw/zinc/26/29/23/600262923.db2.gz	GBXRQMYCUGIDEA-SECBINFHSA-N	0	1	228.292	0.474	20	30		BCEDMN
C=CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000070593202	600397551	/nfs/dbraw/zinc/39/75/51/600397551.db2.gz	SFYWEKDJBOCOIR-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253090997	601114183	/nfs/dbraw/zinc/11/41/83/601114183.db2.gz	IVXUONKFDBRNSF-ZJUUUORDSA-N	0	1	240.303	0.836	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000062935446	601911396	/nfs/dbraw/zinc/91/13/96/601911396.db2.gz	OQNJMOJVHDNBMF-JOYOIKCWSA-N	0	1	240.303	0.474	20	30		BCEDMN
N#CCCC[N@@H+]1CC[C@@H](CNC(=O)[O-])C1	ZINC000740308319	601954225	/nfs/dbraw/zinc/95/42/25/601954225.db2.gz	XMYNSNKUPNWOOU-VIFPVBQESA-N	0	1	211.265	0.880	20	30		BCEDMN
CN(C[C@@H]1CC[N@H+](CCC#N)C1)C(=O)[O-]	ZINC000739663079	602541102	/nfs/dbraw/zinc/54/11/02/602541102.db2.gz	AHQSJRKHIBPCBC-VIFPVBQESA-N	0	1	211.265	0.832	20	30		BCEDMN
CN(C[C@@H]1CC[N@@H+](CCC#N)C1)C(=O)[O-]	ZINC000739663079	602541103	/nfs/dbraw/zinc/54/11/03/602541103.db2.gz	AHQSJRKHIBPCBC-VIFPVBQESA-N	0	1	211.265	0.832	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[O-]	ZINC000738494327	603255434	/nfs/dbraw/zinc/25/54/34/603255434.db2.gz	AKCASQQYRKOHRI-SECBINFHSA-N	0	1	243.307	0.267	20	30		BCEDMN
C#CCC[NH+]1CCN(CCCC(=O)[O-])CC1	ZINC000309662965	604919454	/nfs/dbraw/zinc/91/94/54/604919454.db2.gz	GQDODEQHRJXIIH-UHFFFAOYSA-N	0	1	224.304	0.492	20	30		BCEDMN
CC(C)(C#N)CC[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000083639215	604994453	/nfs/dbraw/zinc/99/44/53/604994453.db2.gz	FSBDNUCNDZPMTG-VIFPVBQESA-N	0	1	226.276	0.712	20	30		BCEDMN
CC(C)(C#N)CC[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000083639215	604994456	/nfs/dbraw/zinc/99/44/56/604994456.db2.gz	FSBDNUCNDZPMTG-VIFPVBQESA-N	0	1	226.276	0.712	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)C2CC2)C1	ZINC001009847034	634604508	/nfs/dbraw/zinc/60/45/08/634604508.db2.gz	WZLLPBCONVHLGX-NSHDSACASA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)C(F)F)C2)C1	ZINC000981568356	635370816	/nfs/dbraw/zinc/37/08/16/635370816.db2.gz	BOTJBZUQPCZAMH-UHFFFAOYSA-N	0	1	242.269	0.809	20	30		BCEDMN
N=C(N)NN=Cc1cc(F)c(F)cc1F	ZINC000308777348	631641738	/nfs/dbraw/zinc/64/17/38/631641738.db2.gz	GKCMUIUXHNGNMF-UHFFFAOYSA-N	0	1	216.166	0.921	20	30		BCEDMN
C#C[C@H](N[C@@H](CO)C(=C)C)[C@H]1CCCO1	ZINC000308816131	631665264	/nfs/dbraw/zinc/66/52/64/631665264.db2.gz	AQHLXYBXRGAEFY-SDDRHHMPSA-N	0	1	209.289	0.694	20	30		BCEDMN
C#C[C@@H](CCC)NS(=O)(=O)c1ncc[nH]1	ZINC000308870567	631699289	/nfs/dbraw/zinc/69/92/89/631699289.db2.gz	SBXNWAREWHSOCE-QMMMGPOBSA-N	0	1	227.289	0.490	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H]1CC[C@@H]1OC	ZINC000934129851	631706216	/nfs/dbraw/zinc/70/62/16/631706216.db2.gz	WJCMYOZZURKJSZ-UWVGGRQHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1	ZINC000972090476	631763089	/nfs/dbraw/zinc/76/30/89/631763089.db2.gz	KSLKAXQZYTWGTI-GRYCIOLGSA-N	0	1	220.316	0.808	20	30		BCEDMN
C#Cc1ccc(CN[C@H](C)C(N)=O)cc1	ZINC000309116471	631888107	/nfs/dbraw/zinc/88/81/07/631888107.db2.gz	LRWWDSPPHAFFBQ-SECBINFHSA-N	0	1	202.257	0.631	20	30		BCEDMN
CC[C@H](NN=C1C[N@H+](C)C[C@@H]1C)C(=O)[O-]	ZINC000308834897	631894672	/nfs/dbraw/zinc/89/46/72/631894672.db2.gz	HSQBEOZUGMIZMM-YUMQZZPRSA-N	0	1	213.281	0.377	20	30		BCEDMN
CC[C@H](NN=C1C[N@@H+](C)C[C@@H]1C)C(=O)[O-]	ZINC000308834897	631894674	/nfs/dbraw/zinc/89/46/74/631894674.db2.gz	HSQBEOZUGMIZMM-YUMQZZPRSA-N	0	1	213.281	0.377	20	30		BCEDMN
C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1	ZINC000972414868	632026455	/nfs/dbraw/zinc/02/64/55/632026455.db2.gz	FRPGLKXPAFLSPO-GFCCVEGCSA-N	0	1	246.314	0.809	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C1CC1	ZINC000309500408	632416843	/nfs/dbraw/zinc/41/68/43/632416843.db2.gz	LKSDYDPGVIVLKV-HGNGGELXSA-N	0	1	207.277	0.260	20	30		BCEDMN
CC(C)[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000309509468	632432662	/nfs/dbraw/zinc/43/26/62/632432662.db2.gz	ORDAMHSHAZMWON-GUBZILKMSA-N	0	1	209.293	0.506	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccs1	ZINC000309637153	632596861	/nfs/dbraw/zinc/59/68/61/632596861.db2.gz	NBKQHFXSRVLOAC-YUMQZZPRSA-N	0	1	221.285	0.589	20	30		BCEDMN
Cc1ccnc(NC(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000841183911	635834027	/nfs/dbraw/zinc/83/40/27/635834027.db2.gz	WUZVNJWGHOZZTC-ZJUUUORDSA-N	0	1	245.286	0.623	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccoc1	ZINC000309635628	633215285	/nfs/dbraw/zinc/21/52/85/633215285.db2.gz	MIWVGDKKILRSHD-IUCAKERBSA-N	0	1	205.217	0.121	20	30		BCEDMN
C=CCN(C)[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000336725174	636001378	/nfs/dbraw/zinc/00/13/78/636001378.db2.gz	PTCWHCDAUBHLJY-GFCCVEGCSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC(=O)N(C[C@H]2CCN2CC)C1=O	ZINC000925095116	636001435	/nfs/dbraw/zinc/00/14/35/636001435.db2.gz	GVLMYQFKDXVNPS-SNVBAGLBSA-N	0	1	237.303	0.531	20	30		BCEDMN
C=CCCCN(C)CN1CC(=O)N(C)C1=O	ZINC000182281444	636044989	/nfs/dbraw/zinc/04/49/89/636044989.db2.gz	SZPJRHFSCIRUOW-UHFFFAOYSA-N	0	1	225.292	0.736	20	30		BCEDMN
CC1(C)OCC(CO)(NCCCC#N)CO1	ZINC000309801113	633754863	/nfs/dbraw/zinc/75/48/63/633754863.db2.gz	REUSFIGBBSRECB-UHFFFAOYSA-N	0	1	228.292	0.394	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@@H]1C	ZINC001026008499	633830832	/nfs/dbraw/zinc/83/08/32/633830832.db2.gz	PHJNJCCMPDMEAW-ZXPJVPCYSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C	ZINC001026128812	633853745	/nfs/dbraw/zinc/85/37/45/633853745.db2.gz	XFHOMNVSGJYRPI-MEBFFEOJSA-N	0	1	246.354	0.958	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccsc1	ZINC000309653322	633984963	/nfs/dbraw/zinc/98/49/63/633984963.db2.gz	UNYDRDALVUIFMK-IUCAKERBSA-N	0	1	221.285	0.589	20	30		BCEDMN
C#C[C@@H]1CCCN(C[C@@H]2CCCS2(=O)=O)C1	ZINC000930884592	634152750	/nfs/dbraw/zinc/15/27/50/634152750.db2.gz	GEBFUMQPFVUSDX-NEPJUHHUSA-N	0	1	241.356	0.909	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ccn[nH]1	ZINC001027766013	635139628	/nfs/dbraw/zinc/13/96/28/635139628.db2.gz	PYNORYVJASDLGY-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
CC#CCN1CCC[C@@H]1CNC(=O)c1ccn[nH]1	ZINC001027762599	635140052	/nfs/dbraw/zinc/14/00/52/635140052.db2.gz	PRPAIKVWQULZBO-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
N#CCCNC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000336488175	635162550	/nfs/dbraw/zinc/16/25/50/635162550.db2.gz	QBCQHBZRRYEJKQ-SECBINFHSA-N	0	1	233.275	1.000	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1	ZINC001010034804	635167733	/nfs/dbraw/zinc/16/77/33/635167733.db2.gz	XMIXGHKKIIVYTG-LBPRGKRZSA-N	0	1	247.298	0.310	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cn(C)nn1	ZINC001027861433	635180278	/nfs/dbraw/zinc/18/02/78/635180278.db2.gz	XICRBPUEPGNKAQ-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2)C1	ZINC001010111995	635202445	/nfs/dbraw/zinc/20/24/45/635202445.db2.gz	ARRACNLSDWBCQW-LLVKDONJSA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@H]2CCOC2)CC1	ZINC000980800679	635275213	/nfs/dbraw/zinc/27/52/13/635275213.db2.gz	APYYHLLEZGOTND-LBPRGKRZSA-N	0	1	238.331	0.743	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cncn1C	ZINC001028002911	635297583	/nfs/dbraw/zinc/29/75/83/635297583.db2.gz	BBODBNVRVUUQKL-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1	ZINC000981670416	635383423	/nfs/dbraw/zinc/38/34/23/635383423.db2.gz	VXCVBDUVHSWFHR-LBPRGKRZSA-N	0	1	245.326	0.704	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ocnc2C)CC1	ZINC000928655859	636273838	/nfs/dbraw/zinc/27/38/38/636273838.db2.gz	BEYNDFSXTNVHFS-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
Cc1nnc(SCC(=O)NCCC#N)[nH]1	ZINC000021586552	636348198	/nfs/dbraw/zinc/34/81/98/636348198.db2.gz	SXFCGEGENZTFRX-UHFFFAOYSA-N	0	1	225.277	0.235	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)NCCC#N)n1	ZINC000021586552	636348204	/nfs/dbraw/zinc/34/82/04/636348204.db2.gz	SXFCGEGENZTFRX-UHFFFAOYSA-N	0	1	225.277	0.235	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2nnc[nH]2)nc1	ZINC000728962978	636434956	/nfs/dbraw/zinc/43/49/56/636434956.db2.gz	WMKMXIFKRAQXRL-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@H](NCC#N)[C@@H]2C)n[nH]1	ZINC000986011892	636467918	/nfs/dbraw/zinc/46/79/18/636467918.db2.gz	SACYPUAXVIOFDU-UWVGGRQHSA-N	0	1	247.302	0.434	20	30		BCEDMN
N#Cc1ccc(NCCNCc2cc[nH]n2)nc1	ZINC000897398731	636581066	/nfs/dbraw/zinc/58/10/66/636581066.db2.gz	OGUUJZDLXBXKTP-UHFFFAOYSA-N	0	1	242.286	0.878	20	30		BCEDMN
Cc1ccnc(N)c1C=NNC[C@@H](C)O	ZINC000872378004	636584100	/nfs/dbraw/zinc/58/41/00/636584100.db2.gz	QWINMAGRNHUNJD-MRVPVSSYSA-N	0	1	208.265	0.277	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@@H](NCC#N)C[C@@H]2C)[nH]1	ZINC000988364621	636696863	/nfs/dbraw/zinc/69/68/63/636696863.db2.gz	GRNGWFMRMHQWRO-WPRPVWTQSA-N	0	1	247.302	0.434	20	30		BCEDMN
C#CCSCC(=O)NCc1n[nH]c(CC)n1	ZINC000897866034	636840099	/nfs/dbraw/zinc/84/00/99/636840099.db2.gz	PREBUHWRPQGJBF-UHFFFAOYSA-N	0	1	238.316	0.350	20	30		BCEDMN
C#CCCNC(=O)NCc1cc(N(C)C)ccn1	ZINC000924656138	636976182	/nfs/dbraw/zinc/97/61/82/636976182.db2.gz	YUSJHIRVPZYHEF-UHFFFAOYSA-N	0	1	246.314	0.970	20	30		BCEDMN
CN(C(=O)Cc1c[nH]cn1)C1(C#N)CCC1	ZINC000900354575	637178084	/nfs/dbraw/zinc/17/80/84/637178084.db2.gz	GXPPLZRGDIRHCA-UHFFFAOYSA-N	0	1	218.260	0.857	20	30		BCEDMN
C#CCN1CCC[C@H](N[C@@H](C)c2cn(C)nn2)C1	ZINC000903092854	637343180	/nfs/dbraw/zinc/34/31/80/637343180.db2.gz	DSJJRENXAKRDAW-RYUDHWBXSA-N	0	1	247.346	0.563	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1nncs1	ZINC000905154012	637636745	/nfs/dbraw/zinc/63/67/45/637636745.db2.gz	VFVGQSQYCWSMMP-UHFFFAOYSA-N	0	1	239.304	0.225	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1nccs1	ZINC000905152672	637637387	/nfs/dbraw/zinc/63/73/87/637637387.db2.gz	FIDHJXDDLJAHSH-UHFFFAOYSA-N	0	1	238.316	0.830	20	30		BCEDMN
N#CC1(CNC[C@H](O)C2(O)CCC2)CC1	ZINC000905244367	637703319	/nfs/dbraw/zinc/70/33/19/637703319.db2.gz	QFYFJVACVSGCQY-VIFPVBQESA-N	0	1	210.277	0.156	20	30		BCEDMN
C=CCn1c(S(=O)(=O)C(C)C)n[nH]c1=O	ZINC000905251352	637710905	/nfs/dbraw/zinc/71/09/05/637710905.db2.gz	LIPDGDQLNRNAPH-UHFFFAOYSA-N	0	1	231.277	0.352	20	30		BCEDMN
N#Cc1ccc(CNC[C@H](O)C2(O)CCC2)nc1	ZINC000905261740	637715873	/nfs/dbraw/zinc/71/58/73/637715873.db2.gz	JYXZXEDMHIIGHY-LBPRGKRZSA-N	0	1	247.298	0.319	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)C[C@@H](O)c1ccccc1	ZINC000905365236	637787810	/nfs/dbraw/zinc/78/78/10/637787810.db2.gz	HVKDRIVMGRNJOK-MGPQQGTHSA-N	0	1	249.310	0.055	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1cccc(C)c1	ZINC000905365966	637790133	/nfs/dbraw/zinc/79/01/33/637790133.db2.gz	LOFWKZOFYHATJC-QWHCGFSZSA-N	0	1	219.284	0.612	20	30		BCEDMN
Cc1nn(C)c(C=NNC2=NCCN2)c1Cl	ZINC000905478710	637819663	/nfs/dbraw/zinc/81/96/63/637819663.db2.gz	LYLFPRQSFPLGAF-UHFFFAOYSA-N	0	1	240.698	0.265	20	30		BCEDMN
CCCn1cc(C(C)=NNC2=NC[C@H](C)N2)nn1	ZINC000905461949	637824155	/nfs/dbraw/zinc/82/41/55/637824155.db2.gz	XYKKAQBFJDYPBN-QMMMGPOBSA-N	0	1	249.322	0.349	20	30		BCEDMN
COC(=O)[C@@H](F)CNC[C@@H](O)CC1(C#N)CC1	ZINC000905488199	637833831	/nfs/dbraw/zinc/83/38/31/637833831.db2.gz	CBGSDAXCUNKBOS-IUCAKERBSA-N	0	1	244.266	0.142	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907387321	638369481	/nfs/dbraw/zinc/36/94/81/638369481.db2.gz	HYUUZYMXACDUCY-JFGNBEQYSA-N	0	1	239.319	0.250	20	30		BCEDMN
C=C(C)CNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907520475	638402605	/nfs/dbraw/zinc/40/26/05/638402605.db2.gz	DARYYCJZJNALCU-KOLCDFICSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCCN(C)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907638355	638428735	/nfs/dbraw/zinc/42/87/35/638428735.db2.gz	AURUXMSOIJPBMX-CMPLNLGQSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCCN(C)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000907638356	638429193	/nfs/dbraw/zinc/42/91/93/638429193.db2.gz	AURUXMSOIJPBMX-JQWIXIFHSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCCCNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907852009	638487442	/nfs/dbraw/zinc/48/74/42/638487442.db2.gz	GZVCZWZIRMKSJL-CMPLNLGQSA-N	0	1	226.320	0.524	20	30		BCEDMN
CCOC(=O)[C@H]1CSCN1C(=O)C(C)C#N	ZINC000907898453	638503006	/nfs/dbraw/zinc/50/30/06/638503006.db2.gz	UEDALVQUYKWNEZ-HTQZYQBOSA-N	0	1	242.300	0.611	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)Cc1cnc[nH]1	ZINC000908297837	638648434	/nfs/dbraw/zinc/64/84/34/638648434.db2.gz	AKGJGYLNVLLBCB-NSHDSACASA-N	0	1	218.260	0.761	20	30		BCEDMN
C#CCN(C)CCCNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21	ZINC000908436785	638714204	/nfs/dbraw/zinc/71/42/04/638714204.db2.gz	IAJLEYVGSIRNAO-RAIGVLPGSA-N	0	1	248.326	0.283	20	30		BCEDMN
C=CC(C)(C)NS(=O)(=O)c1ncc[nH]1	ZINC000908466703	638730384	/nfs/dbraw/zinc/73/03/84/638730384.db2.gz	OQJDRGVLNNZEJX-UHFFFAOYSA-N	0	1	215.278	0.653	20	30		BCEDMN
C#C[C@H](CO)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2	ZINC000908616757	639036408	/nfs/dbraw/zinc/03/64/08/639036408.db2.gz	GFKHVMDDZJRJQP-DTWKUNHWSA-N	0	1	247.298	0.258	20	30		BCEDMN
C=CC(C)(C)CNC(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000908939749	639096940	/nfs/dbraw/zinc/09/69/40/639096940.db2.gz	NIIJUTTWRYTBOM-GWCFXTLKSA-N	0	1	240.347	0.770	20	30		BCEDMN
C[C@H](CC#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000909723946	639213342	/nfs/dbraw/zinc/21/33/42/639213342.db2.gz	JJGGOMYKNLQNFD-SSDOTTSWSA-N	0	1	221.264	0.706	20	30		BCEDMN
CC(C)C#CC(=O)NC(C)(C)c1c[nH]nn1	ZINC000909724101	639213720	/nfs/dbraw/zinc/21/37/20/639213720.db2.gz	MFIDFSCMRFAXIJ-UHFFFAOYSA-N	0	1	220.276	0.815	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N1CC=CC1	ZINC000910008112	639320741	/nfs/dbraw/zinc/32/07/41/639320741.db2.gz	ZXGLNCQPIBGTOX-NSHDSACASA-N	0	1	204.273	0.482	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)C[N@H+](C)CCC)C(=O)[O-]	ZINC000910287731	639406136	/nfs/dbraw/zinc/40/61/36/639406136.db2.gz	RZOOZSDCUDZCEP-SNVBAGLBSA-N	0	1	242.319	0.864	20	30		BCEDMN
N#CC1(CNC(=O)c2[nH]ncc2F)CCC1	ZINC000910941003	639547564	/nfs/dbraw/zinc/54/75/64/639547564.db2.gz	KJSYKFXXCLWSRQ-UHFFFAOYSA-N	0	1	222.223	0.972	20	30		BCEDMN
CN(CC(=O)Nc1n[nH]cc1C#N)C1CCC1	ZINC000910945269	639550347	/nfs/dbraw/zinc/55/03/47/639550347.db2.gz	TYVPODBCSGFYCL-UHFFFAOYSA-N	0	1	233.275	0.704	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@H]1NCc1cncc(C#N)c1	ZINC000930323417	639706759	/nfs/dbraw/zinc/70/67/59/639706759.db2.gz	FDAOVCNQXZZLMR-CABZTGNLSA-N	0	1	244.298	0.567	20	30		BCEDMN
CO[C@@H]1COC[C@@H]1NCc1cncc(C#N)c1	ZINC000930703483	639869211	/nfs/dbraw/zinc/86/92/11/639869211.db2.gz	ANFAUUQUPFMMFS-NWDGAFQWSA-N	0	1	233.271	0.457	20	30		BCEDMN
C#CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1	ZINC000912031379	639923870	/nfs/dbraw/zinc/92/38/70/639923870.db2.gz	UFQZZIOADFTRNF-SNVBAGLBSA-N	0	1	208.305	0.808	20	30		BCEDMN
CCOCCOCCN[C@@H](C)CC#N	ZINC000930867615	639958927	/nfs/dbraw/zinc/95/89/27/639958927.db2.gz	LEOLNLYZXADZPH-JTQLQIEISA-N	0	1	200.282	0.931	20	30		BCEDMN
CC[N@@H+]1[C@H](C)CN(C[C@H](O)CC#N)C[C@@H]1C	ZINC000930882577	639967074	/nfs/dbraw/zinc/96/70/74/639967074.db2.gz	HWSMSYPFKWNURD-GRYCIOLGSA-N	0	1	225.336	0.675	20	30		BCEDMN
C#C[C@H]1CCCN([C@H]2CCN(OC)C2=O)C1	ZINC000930886612	639972436	/nfs/dbraw/zinc/97/24/36/639972436.db2.gz	UUKDWJHFNPYGDB-QWRGUYRKSA-N	0	1	222.288	0.494	20	30		BCEDMN
C=CCN(C[C@H](O)CC#N)[C@@H](C)COC	ZINC000930931571	639993366	/nfs/dbraw/zinc/99/33/66/639993366.db2.gz	ZDPZAZKDARFLQN-WDEREUQCSA-N	0	1	212.293	0.784	20	30		BCEDMN
C#CCN(C(=O)CN1CCCC1)C1CSC1	ZINC000912366359	640040716	/nfs/dbraw/zinc/04/07/16/640040716.db2.gz	RCPHBWCBYBRXDA-UHFFFAOYSA-N	0	1	238.356	0.659	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@H]1c1nnc[nH]1	ZINC000931137163	640072915	/nfs/dbraw/zinc/07/29/15/640072915.db2.gz	PRTBCNOQOUEFFX-VIFPVBQESA-N	0	1	235.291	0.244	20	30		BCEDMN
C#CCNCC(=O)N1CCC[C@@H]1c1cc(C)on1	ZINC000912466995	640073383	/nfs/dbraw/zinc/07/33/83/640073383.db2.gz	INIOUVHSHGWALP-GFCCVEGCSA-N	0	1	247.298	0.869	20	30		BCEDMN
C[C@H](C#N)OCCN1CCC[C@H]1c1nnc[nH]1	ZINC000931140252	640074729	/nfs/dbraw/zinc/07/47/29/640074729.db2.gz	JPRNWXCQSZLXTK-ZJUUUORDSA-N	0	1	235.291	0.870	20	30		BCEDMN
C#CC1(O)CCN(Cc2cc(C)ncn2)CC1	ZINC000931149280	640077600	/nfs/dbraw/zinc/07/76/00/640077600.db2.gz	GDCKMMDYDCBFDP-UHFFFAOYSA-N	0	1	231.299	0.745	20	30		BCEDMN
C=CCCONC(=O)C[C@]1(O)CCC[N@H+](C)C1	ZINC000912628034	640144723	/nfs/dbraw/zinc/14/47/23/640144723.db2.gz	TVWUKAFJYUOHHV-GFCCVEGCSA-N	0	1	242.319	0.457	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C	ZINC000912627449	640145184	/nfs/dbraw/zinc/14/51/84/640145184.db2.gz	DRYDOTIGUPRVRG-ONGXEEELSA-N	0	1	228.292	0.065	20	30		BCEDMN
CC#CC(=O)N[C@@H](CCSC)c1nn[nH]n1	ZINC000912862202	640226087	/nfs/dbraw/zinc/22/60/87/640226087.db2.gz	LDKMODWKYIBGHS-ZETCQYMHSA-N	0	1	239.304	0.133	20	30		BCEDMN
C=CCCOCC(=O)N1CC[C@H](N2CCC2)C1	ZINC000912919460	640242957	/nfs/dbraw/zinc/24/29/57/640242957.db2.gz	LLPJEVBUBXPLON-LBPRGKRZSA-N	0	1	238.331	0.886	20	30		BCEDMN
N#CC[C@@H](O)CN1CCNC(=O)CC12CCC2	ZINC000931619990	640289261	/nfs/dbraw/zinc/28/92/61/640289261.db2.gz	IODCJDZHQCUZQU-SNVBAGLBSA-N	0	1	237.303	0.006	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCC(F)F)CC1	ZINC000931635220	640299647	/nfs/dbraw/zinc/29/96/47/640299647.db2.gz	SYRDMRBYXBGVTH-UHFFFAOYSA-N	0	1	245.273	0.648	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)Cc1cnc[nH]1	ZINC000913348161	640356751	/nfs/dbraw/zinc/35/67/51/640356751.db2.gz	HMGAKWAKFRTPOM-SNVBAGLBSA-N	0	1	235.287	0.497	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)Cc1cnc[nH]1	ZINC000913348160	640357611	/nfs/dbraw/zinc/35/76/11/640357611.db2.gz	HMGAKWAKFRTPOM-JTQLQIEISA-N	0	1	235.287	0.497	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)Nc1cccc(C#N)n1	ZINC000931806231	640371944	/nfs/dbraw/zinc/37/19/44/640371944.db2.gz	MPTBLIZIONNUQK-JTQLQIEISA-N	0	1	245.286	0.779	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)NCC#CCN(C)C)[C@H](C)O1	ZINC000913525120	640380177	/nfs/dbraw/zinc/38/01/77/640380177.db2.gz	KRMJOIYVWRLJOP-WOPDTQHZSA-N	0	1	238.331	0.481	20	30		BCEDMN
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913525016	640380260	/nfs/dbraw/zinc/38/02/60/640380260.db2.gz	HEMIZYYQDRETSV-XQHKEYJVSA-N	0	1	234.343	0.960	20	30		BCEDMN
CN(C)CC#CCNC(=O)C=C1CCC1	ZINC000913520014	640381748	/nfs/dbraw/zinc/38/17/48/640381748.db2.gz	ZBGJFQUUHWQTOR-UHFFFAOYSA-N	0	1	206.289	0.778	20	30		BCEDMN
CC[C@H](C)[C@H](O)C(=O)NCC#CCN(C)C	ZINC000913520644	640381922	/nfs/dbraw/zinc/38/19/22/640381922.db2.gz	WCFRLKBXURTOSQ-QWRGUYRKSA-N	0	1	226.320	0.075	20	30		BCEDMN
C[C@H]1C[C@H](C(=O)NCC#CCN(C)C)CCO1	ZINC000913520145	640381932	/nfs/dbraw/zinc/38/19/32/640381932.db2.gz	FNNOKUNCBLCYTC-NWDGAFQWSA-N	0	1	238.331	0.483	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1CCCCO1	ZINC000913519915	640382443	/nfs/dbraw/zinc/38/24/43/640382443.db2.gz	UNBIWROEJAPYSX-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1CCC=CO1	ZINC000913520741	640382318	/nfs/dbraw/zinc/38/23/18/640382318.db2.gz	WRTYPZJLTBITEZ-LLVKDONJSA-N	0	1	222.288	0.360	20	30		BCEDMN
COCC(C)(C)C(=O)NCC#CCN(C)C	ZINC000913520106	640382699	/nfs/dbraw/zinc/38/26/99/640382699.db2.gz	CSHQVFLDQKFBQF-UHFFFAOYSA-N	0	1	226.320	0.340	20	30		BCEDMN
CCCn1cc(C(=O)NCC#CCN(C)C)cn1	ZINC000913521314	640383786	/nfs/dbraw/zinc/38/37/86/640383786.db2.gz	SZHWBWRRBDSDMO-UHFFFAOYSA-N	0	1	248.330	0.588	20	30		BCEDMN
C[C@@H](C(=O)NCC#CCN(C)C)C(C)(F)F	ZINC000913522612	640384009	/nfs/dbraw/zinc/38/40/09/640384009.db2.gz	QTJGLTHMIZWJPW-VIFPVBQESA-N	0	1	232.274	0.959	20	30		BCEDMN
CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C#N)CC1	ZINC000913534081	640388900	/nfs/dbraw/zinc/38/89/00/640388900.db2.gz	LVAXJLXDXHDNLI-PHIMTYICSA-N	0	1	233.315	0.985	20	30		BCEDMN
C#CCOCCN1CC[C@@H](c2noc(C)n2)C1	ZINC000931935034	640394110	/nfs/dbraw/zinc/39/41/10/640394110.db2.gz	CKWHXPGPKALOLL-LLVKDONJSA-N	0	1	235.287	0.817	20	30		BCEDMN
Cn1ccc(C2CCN(C[C@H](O)CC#N)CC2)n1	ZINC000932142189	640439865	/nfs/dbraw/zinc/43/98/65/640439865.db2.gz	NFFCFZULQHXSDE-GFCCVEGCSA-N	0	1	248.330	0.874	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCO[C@H](C)CC1	ZINC000932348696	640490570	/nfs/dbraw/zinc/49/05/70/640490570.db2.gz	GRXBLIYLPKVKMU-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCOCCN1C2CCC1(C(N)=O)CC2	ZINC000932934664	640648619	/nfs/dbraw/zinc/64/86/19/640648619.db2.gz	OMOCFCGAURFIGW-UHFFFAOYSA-N	0	1	224.304	0.671	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cn[nH]c2)C[C@H]1C	ZINC000947093530	640664437	/nfs/dbraw/zinc/66/44/37/640664437.db2.gz	DKBFZRNOSQXPNR-ZYHUDNBSSA-N	0	1	246.314	0.626	20	30		BCEDMN
CC[C@H]1C(=O)NCCCN1CCCC#N	ZINC000933228794	640687404	/nfs/dbraw/zinc/68/74/04/640687404.db2.gz	SXAGBBCHVNILKG-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@@H]2COCC[C@@H]21	ZINC000933970376	640798626	/nfs/dbraw/zinc/79/86/26/640798626.db2.gz	IKXARRHXENUTET-RWMBFGLXSA-N	0	1	241.331	0.803	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC(=O)NCC	ZINC000934472703	641163512	/nfs/dbraw/zinc/16/35/12/641163512.db2.gz	QAJLZODXMZMIOP-VHSXEESVSA-N	0	1	239.319	0.871	20	30		BCEDMN
C#C[C@H]1CCCCN1CCN1C(=O)CCC1=O	ZINC000934511701	641178016	/nfs/dbraw/zinc/17/80/16/641178016.db2.gz	SYRJADFFOPPLJX-NSHDSACASA-N	0	1	234.299	0.623	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1C(=O)CCC1=O	ZINC000934511700	641178972	/nfs/dbraw/zinc/17/89/72/641178972.db2.gz	SYRJADFFOPPLJX-LLVKDONJSA-N	0	1	234.299	0.623	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cc(C=O)n(C)n2)=NO1	ZINC000935136386	641347041	/nfs/dbraw/zinc/34/70/41/641347041.db2.gz	DCINYUDUHUBAHM-LURJTMIESA-N	0	1	236.231	0.085	20	30		BCEDMN
CC#CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	ZINC000935143012	641347862	/nfs/dbraw/zinc/34/78/62/641347862.db2.gz	POYQMIQWXPUTTM-UHFFFAOYSA-N	0	1	249.314	0.514	20	30		BCEDMN
COc1cc(C(=O)NC2=NO[C@@H](C)C2)ncn1	ZINC000935137456	641348127	/nfs/dbraw/zinc/34/81/27/641348127.db2.gz	YCFHPUUCXHYQKR-LURJTMIESA-N	0	1	236.231	0.337	20	30		BCEDMN
C#CCCCC(=O)NC12CCN(CC1)C2	ZINC000913634067	641435752	/nfs/dbraw/zinc/43/57/52/641435752.db2.gz	ZUAIVYBJYWYFEL-UHFFFAOYSA-N	0	1	206.289	0.754	20	30		BCEDMN
N#C[C@@]1(C(=O)NC23CCN(CC2)C3)CCCOC1	ZINC000913638021	641440225	/nfs/dbraw/zinc/44/02/25/641440225.db2.gz	RCVKXYXFYMMYIP-LBPRGKRZSA-N	0	1	249.314	0.271	20	30		BCEDMN
CC[C@@H](C)OCC(=O)C(C#N)C(=O)NC1CC1	ZINC000152346578	641560934	/nfs/dbraw/zinc/56/09/34/641560934.db2.gz	XYENKBWTNRKTEZ-SCZZXKLOSA-N	0	1	238.287	0.789	20	30		BCEDMN
CC(=O)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1O	ZINC000159864791	641704847	/nfs/dbraw/zinc/70/48/47/641704847.db2.gz	DBMMTSYPYXIJMQ-ZETCQYMHSA-N	0	1	247.254	0.727	20	30		BCEDMN
C=C(C)CCN1CC(NC(=O)c2ncn[nH]2)C1	ZINC001031121869	641718727	/nfs/dbraw/zinc/71/87/27/641718727.db2.gz	PCQGFQPKYBQFIC-UHFFFAOYSA-N	0	1	235.291	0.185	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnon2)C[C@@H]1C	ZINC000947833176	641759206	/nfs/dbraw/zinc/75/92/06/641759206.db2.gz	RIOFMIPCJKKZEG-UWVGGRQHSA-N	0	1	248.286	0.286	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)Cc2cnoc2)C1	ZINC001015600678	641800274	/nfs/dbraw/zinc/80/02/74/641800274.db2.gz	HXNHMMSZHVDEKL-GFCCVEGCSA-N	0	1	247.298	0.431	20	30		BCEDMN
C=CCO[N-]C(=O)[C@@H]1CCC[N@H+]1C1CC1	ZINC000837047565	641839885	/nfs/dbraw/zinc/83/98/85/641839885.db2.gz	BVIWIVIXCRBBDS-JTQLQIEISA-N	0	1	210.277	0.847	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncn[n-]2)[C@@H]1C	ZINC000994019836	641880923	/nfs/dbraw/zinc/88/09/23/641880923.db2.gz	JDMLXCJTZDQZLI-UWVGGRQHSA-N	0	1	247.302	0.021	20	30		BCEDMN
Cc1nn(C[C@H]2CCCN2C)c(=O)c(C#N)c1C	ZINC000916275339	641925270	/nfs/dbraw/zinc/92/52/70/641925270.db2.gz	WOQBBFWCABLDQA-LLVKDONJSA-N	0	1	246.314	0.826	20	30		BCEDMN
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C=C(C)[C@H](CO)N1CCN(C(C)(C)CO)CC1	ZINC000929980964	642062384	/nfs/dbraw/zinc/06/23/84/642062384.db2.gz	HOYNUDHOBPOUHU-LBPRGKRZSA-N	0	1	242.363	0.312	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2C[C@@H]2C)C1	ZINC001031519767	642260830	/nfs/dbraw/zinc/26/08/30/642260830.db2.gz	HSBCBXKJDLNCEL-ONGXEEELSA-N	0	1	208.305	0.876	20	30		BCEDMN
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C#CCCN1CC(CNC(=O)c2ccoc2)C1	ZINC001031547121	642292199	/nfs/dbraw/zinc/29/21/99/642292199.db2.gz	IVLGDQSNQBJINA-UHFFFAOYSA-N	0	1	232.283	0.965	20	30		BCEDMN
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C#CCN(C)[C@H]1CCN(C(=O)c2cocn2)C1	ZINC000971180218	642316176	/nfs/dbraw/zinc/31/61/76/642316176.db2.gz	GIEIKDUQEQZESC-JTQLQIEISA-N	0	1	233.271	0.454	20	30		BCEDMN
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C=C(C)CN1CC(CNC(=O)c2cnnn2C)C1	ZINC001031643793	642433748	/nfs/dbraw/zinc/43/37/48/642433748.db2.gz	DWPLHTRDYQMBDO-UHFFFAOYSA-N	0	1	249.318	0.053	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1	ZINC000960033433	642656359	/nfs/dbraw/zinc/65/63/59/642656359.db2.gz	XPAVLSNFQLEPHC-GDNZZTSVSA-N	0	1	232.327	0.856	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1	ZINC000961390586	642686641	/nfs/dbraw/zinc/68/66/41/642686641.db2.gz	AKWDVMWBBZRLEH-IAZYJMLFSA-N	0	1	245.282	0.358	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C	ZINC000961493744	642690625	/nfs/dbraw/zinc/69/06/25/642690625.db2.gz	ZFILAJRWJKSJFL-KVSVUVNWSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccco1	ZINC000962099958	642715915	/nfs/dbraw/zinc/71/59/15/642715915.db2.gz	CSXCUJQRWQTDHZ-IMRBUKKESA-N	0	1	244.294	0.502	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nocc1C	ZINC000962215811	642725107	/nfs/dbraw/zinc/72/51/07/642725107.db2.gz	NKBXVJUNMPXBLU-IAZYJMLFSA-N	0	1	245.282	0.276	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1	ZINC001006665624	642823692	/nfs/dbraw/zinc/82/36/92/642823692.db2.gz	HCPPFEMAPSFPLA-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2cnon2)C1	ZINC001008925858	642834755	/nfs/dbraw/zinc/83/47/55/642834755.db2.gz	FWRSKDXFUSJPBA-SNVBAGLBSA-N	0	1	248.286	0.287	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CO[C@H](C)C2)C1	ZINC001031789225	642849427	/nfs/dbraw/zinc/84/94/27/642849427.db2.gz	MLSUDSMOZHLBNX-ZYHUDNBSSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=C(C)CN(C)CC(=O)N1CCO[C@H](C)C1	ZINC000181262032	642856329	/nfs/dbraw/zinc/85/63/29/642856329.db2.gz	ITTXAXHHPLFZMG-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1	ZINC001010285504	642857182	/nfs/dbraw/zinc/85/71/82/642857182.db2.gz	KOWTWURUUPOZDE-RYUDHWBXSA-N	0	1	248.330	0.821	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@H]2CCOC2)C1	ZINC001010344546	642859096	/nfs/dbraw/zinc/85/90/96/642859096.db2.gz	NVSSQFAGXPAKJV-WDEREUQCSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnn(CC)c2)C1	ZINC001010392260	642861529	/nfs/dbraw/zinc/86/15/29/642861529.db2.gz	HUKVZALLUIRSLJ-GFCCVEGCSA-N	0	1	248.330	0.893	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cc2ccon2)C1	ZINC001010405596	642864001	/nfs/dbraw/zinc/86/40/01/642864001.db2.gz	VTXXOBJWXNZQHK-LBPRGKRZSA-N	0	1	247.298	0.431	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1	ZINC001010630987	642870573	/nfs/dbraw/zinc/87/05/73/642870573.db2.gz	PUYRUVBGOPVAIU-RYUDHWBXSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2coc(C)n2)C1	ZINC001010733914	642871513	/nfs/dbraw/zinc/87/15/13/642871513.db2.gz	DWCZYIVMYRVDTC-NSHDSACASA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2nccc(C)n2)C1	ZINC001010787702	642873720	/nfs/dbraw/zinc/87/37/20/642873720.db2.gz	XNMCCSDBWXTAPE-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001014495754	642889863	/nfs/dbraw/zinc/88/98/63/642889863.db2.gz	QUYPMHZOQARBMJ-GVXVVHGQSA-N	0	1	236.315	0.399	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2cnc(C)o2)C1	ZINC001014704347	642893176	/nfs/dbraw/zinc/89/31/76/642893176.db2.gz	GKDCMPCEKNBHSB-NSHDSACASA-N	0	1	249.314	0.902	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cn2nccc2C)C1	ZINC001015776737	642930656	/nfs/dbraw/zinc/93/06/56/642930656.db2.gz	GAHAVMAORJGCBL-LBPRGKRZSA-N	0	1	248.330	0.568	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2nocc2C)C1	ZINC001015950535	642940501	/nfs/dbraw/zinc/94/05/01/642940501.db2.gz	DQXMDRFJEIKINH-LLVKDONJSA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016245294	642951682	/nfs/dbraw/zinc/95/16/82/642951682.db2.gz	GJLDMVGBAQQWSC-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1	ZINC001016258233	642952223	/nfs/dbraw/zinc/95/22/23/642952223.db2.gz	DOPBGRFWMUWFRY-GFCCVEGCSA-N	0	1	248.330	0.568	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001016247175	642953496	/nfs/dbraw/zinc/95/34/96/642953496.db2.gz	TXSPFRGAVVPXDO-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001016247175	642953501	/nfs/dbraw/zinc/95/35/01/642953501.db2.gz	TXSPFRGAVVPXDO-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016313114	642956202	/nfs/dbraw/zinc/95/62/02/642956202.db2.gz	DYIGDVCUXLIWRU-LBPRGKRZSA-N	0	1	231.299	0.381	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016313114	642956225	/nfs/dbraw/zinc/95/62/25/642956225.db2.gz	DYIGDVCUXLIWRU-LBPRGKRZSA-N	0	1	231.299	0.381	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2[nH]cnc2C)C1	ZINC001016425117	642959739	/nfs/dbraw/zinc/95/97/39/642959739.db2.gz	QHRAZCHLMJXMEJ-JTQLQIEISA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2c[nH]nc2C)C1	ZINC001031888707	642992538	/nfs/dbraw/zinc/99/25/38/642992538.db2.gz	MVOKEDZIIDWRKP-UHFFFAOYSA-N	0	1	234.303	0.566	20	30		BCEDMN
CC#CCN1CC([C@H](C)NC(=O)C2CC2)C1	ZINC000969183988	643099598	/nfs/dbraw/zinc/09/95/98/643099598.db2.gz	WVVDXLZTMYSQGI-JTQLQIEISA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCO2)C1	ZINC000969255019	643120470	/nfs/dbraw/zinc/12/04/70/643120470.db2.gz	XLISVGLTPXEQFE-ZYHUDNBSSA-N	0	1	238.331	0.788	20	30		BCEDMN
CO[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C	ZINC000120271884	643143267	/nfs/dbraw/zinc/14/32/67/643143267.db2.gz	SDQBVAOTWHMWOI-YUMQZZPRSA-N	0	1	212.249	0.255	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1	ZINC000941849949	643145124	/nfs/dbraw/zinc/14/51/24/643145124.db2.gz	KKXPETCWQMYCLE-ZYHUDNBSSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)[C@H]2CCOC2)C1	ZINC000969365283	643154935	/nfs/dbraw/zinc/15/49/35/643154935.db2.gz	HYNPXXZUCADSDU-QWRGUYRKSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccnnc2)C1	ZINC001032003839	643175561	/nfs/dbraw/zinc/17/55/61/643175561.db2.gz	HNGYWIOEACAUJC-UHFFFAOYSA-N	0	1	232.287	0.324	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnnn2C)C1	ZINC000969599035	643197975	/nfs/dbraw/zinc/19/79/75/643197975.db2.gz	JQAQLNBZKNZFKN-VIFPVBQESA-N	0	1	249.318	0.051	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2n[nH]cc2C)C1	ZINC000969644754	643205013	/nfs/dbraw/zinc/20/50/13/643205013.db2.gz	KJHPSRRXDRDVNK-SNVBAGLBSA-N	0	1	248.330	0.954	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ncccn2)C1	ZINC001032064716	643225706	/nfs/dbraw/zinc/22/57/06/643225706.db2.gz	BAMHEXAOIMWYRK-UHFFFAOYSA-N	0	1	232.287	0.324	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C	ZINC000890652742	643229216	/nfs/dbraw/zinc/22/92/16/643229216.db2.gz	WVGSIQAJODEUIN-WDEREUQCSA-N	0	1	208.305	0.951	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CCO[C@@H]2C)C1	ZINC001032076126	643236208	/nfs/dbraw/zinc/23/62/08/643236208.db2.gz	LLWZMMYWDHOJPS-PWSUYJOCSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC1	ZINC001032241422	643390260	/nfs/dbraw/zinc/39/02/60/643390260.db2.gz	JDDDJOYZSCFACL-RYUDHWBXSA-N	0	1	218.300	0.705	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2[nH]nnc2C)C1	ZINC000970249147	643403907	/nfs/dbraw/zinc/40/39/07/643403907.db2.gz	UFZXGTPXJMHUPU-MRVPVSSYSA-N	0	1	249.318	0.349	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ccnnc2)C1	ZINC000970484674	643443529	/nfs/dbraw/zinc/44/35/29/643443529.db2.gz	AFBYNZPVESDUQJ-JTQLQIEISA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)C	ZINC001032283970	643445332	/nfs/dbraw/zinc/44/53/32/643445332.db2.gz	CDEUPXFCYDBBSH-RYUDHWBXSA-N	0	1	220.316	0.951	20	30		BCEDMN
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1	ZINC001032287972	643450894	/nfs/dbraw/zinc/45/08/94/643450894.db2.gz	DNLGHSVINUCIII-UWVGGRQHSA-N	0	1	232.287	0.494	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2cncnc2)C1	ZINC001010712969	643484459	/nfs/dbraw/zinc/48/44/59/643484459.db2.gz	RTJZXFMKFVWNST-LBPRGKRZSA-N	0	1	244.298	0.304	20	30		BCEDMN
O=C(NCC#C[C@H]1CCCCO1)c1ncn[nH]1	ZINC000891124483	643501901	/nfs/dbraw/zinc/50/19/01/643501901.db2.gz	KPEUOENZPWHDIU-SECBINFHSA-N	0	1	234.259	0.107	20	30		BCEDMN
O=C(NCC#C[C@H]1CCCCO1)c1nc[nH]n1	ZINC000891124483	643501909	/nfs/dbraw/zinc/50/19/09/643501909.db2.gz	KPEUOENZPWHDIU-SECBINFHSA-N	0	1	234.259	0.107	20	30		BCEDMN
C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc[nH]n1	ZINC001032328275	643511215	/nfs/dbraw/zinc/51/12/15/643511215.db2.gz	OKIABHOEWIFIPH-RYUDHWBXSA-N	0	1	246.314	0.423	20	30		BCEDMN
CN1CC(C(=O)N[C@@H](C#N)C2CCCC2)=NC1=O	ZINC000921551312	643603073	/nfs/dbraw/zinc/60/30/73/643603073.db2.gz	PTWXYNLCQNWRNU-VIFPVBQESA-N	0	1	248.286	0.938	20	30		BCEDMN
C#CCCN1CCN(C(=O)c2cc(C)[nH]n2)CC1	ZINC000068444340	643631574	/nfs/dbraw/zinc/63/15/74/643631574.db2.gz	MVQDHXPFHCRJSY-UHFFFAOYSA-N	0	1	246.314	0.499	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H](OCC)C1	ZINC000084222308	643650893	/nfs/dbraw/zinc/65/08/93/643650893.db2.gz	SLRHYWNVZGZOMI-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1	ZINC000971062016	643692533	/nfs/dbraw/zinc/69/25/33/643692533.db2.gz	VBVFHGVYFKDHDJ-LLVKDONJSA-N	0	1	247.298	0.763	20	30		BCEDMN
N#CCN[C@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC000998589466	643714273	/nfs/dbraw/zinc/71/42/73/643714273.db2.gz	UACJQDTXQBDBFE-VIFPVBQESA-N	0	1	233.275	0.127	20	30		BCEDMN
C=CC[N@@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1	ZINC001000469874	643786120	/nfs/dbraw/zinc/78/61/20/643786120.db2.gz	JYPXMYZSNZGSES-UHFFFAOYSA-N	0	1	246.314	0.958	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000921980727	643837575	/nfs/dbraw/zinc/83/75/75/643837575.db2.gz	NOESPTPYVWRZNT-AXFHLTTASA-N	0	1	236.319	0.682	20	30		BCEDMN
N#Cc1cc(CN[C@]2(CO)CCOC2)cs1	ZINC000921992909	643840561	/nfs/dbraw/zinc/84/05/61/643840561.db2.gz	BTHSHMJJGLCYKM-NSHDSACASA-N	0	1	238.312	0.861	20	30		BCEDMN
C=CC[N@H+](CCCOCC)CC(=O)[O-]	ZINC000086138403	643921542	/nfs/dbraw/zinc/92/15/42/643921542.db2.gz	ZIAXYRVXQKAWEN-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C=CC[N@H+](CCn1ccnc1C)CC(=O)[O-]	ZINC000086138632	643924224	/nfs/dbraw/zinc/92/42/24/643924224.db2.gz	RJTFYSKAZKHBSJ-UHFFFAOYSA-N	0	1	223.276	0.764	20	30		BCEDMN
C=C[C@H](CO)NCc1c2c(nn1C)CCC2	ZINC000922264362	643935085	/nfs/dbraw/zinc/93/50/85/643935085.db2.gz	SICITIJJKRTRBK-SECBINFHSA-N	0	1	221.304	0.545	20	30		BCEDMN
C[C@@H](O)[C@H](O)CNCc1csc(C#N)c1	ZINC000922308564	643964653	/nfs/dbraw/zinc/96/46/53/643964653.db2.gz	FEWCVWLNROCKBB-GMSGAONNSA-N	0	1	226.301	0.451	20	30		BCEDMN
C#CCN1CCC(NC(=O)N[C@@H](C#C)CC)CC1	ZINC000922525709	644014086	/nfs/dbraw/zinc/01/40/86/644014086.db2.gz	NHZYIYVRNBTANM-LBPRGKRZSA-N	0	1	247.342	0.795	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000922751801	644084761	/nfs/dbraw/zinc/08/47/61/644084761.db2.gz	WCJSDFAYBQPMLU-JTQLQIEISA-N	0	1	223.276	0.396	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2cc[nH]n2)CC1	ZINC001005128707	644172346	/nfs/dbraw/zinc/17/23/46/644172346.db2.gz	FALFGQOWJWXKKE-UHFFFAOYSA-N	0	1	246.314	0.579	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2C[C@H](CO)C2)nn1	ZINC000923005759	644223723	/nfs/dbraw/zinc/22/37/23/644223723.db2.gz	SDXJINHCISWRTC-XYPYZODXSA-N	0	1	236.319	0.715	20	30		BCEDMN
C#CCC1(NCc2cn(C)nn2)CCC1	ZINC000922998854	644223748	/nfs/dbraw/zinc/22/37/48/644223748.db2.gz	ZSXKIQQIXXCUKC-UHFFFAOYSA-N	0	1	204.277	0.851	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC(C)C	ZINC000193411300	644239458	/nfs/dbraw/zinc/23/94/58/644239458.db2.gz	AHOFPQWGDJQNOH-VIFPVBQESA-N	0	1	226.276	0.504	20	30		BCEDMN
C=CCN(C)C(=O)NCCCc1nc[nH]n1	ZINC000923136878	644273376	/nfs/dbraw/zinc/27/33/76/644273376.db2.gz	FHPKERDQXZTLMO-UHFFFAOYSA-N	0	1	223.280	0.565	20	30		BCEDMN
C=C(Cl)CNC(=O)NCCCc1nc[nH]n1	ZINC000923142225	644276293	/nfs/dbraw/zinc/27/62/93/644276293.db2.gz	JVGCSPLAWBCXGO-UHFFFAOYSA-N	0	1	243.698	0.789	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000246414529	644586644	/nfs/dbraw/zinc/58/66/44/644586644.db2.gz	FMFVKFBXDFGYBZ-QCLAVDOMSA-N	0	1	220.272	0.877	20	30		BCEDMN
C#CCNCC(=O)NCCc1cccc(F)c1	ZINC000092492206	644660346	/nfs/dbraw/zinc/66/03/46/644660346.db2.gz	DFOSVYOJSRSUPQ-UHFFFAOYSA-N	0	1	234.274	0.707	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnccc2N(C)C)N1	ZINC000779798754	644716811	/nfs/dbraw/zinc/71/68/11/644716811.db2.gz	GDKTYVYLXMXVGP-SECBINFHSA-N	0	1	246.318	0.419	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@H](C)N2)c(O)c1	ZINC000779804331	644717427	/nfs/dbraw/zinc/71/74/27/644717427.db2.gz	CZYJUBNNOZAROY-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1	ZINC000249714387	644735892	/nfs/dbraw/zinc/73/58/92/644735892.db2.gz	HFJJTJNTMPNTPD-UTLUCORTSA-N	0	1	220.272	0.974	20	30		BCEDMN
C#CCNC(=O)CCN[C@H](C)c1nccnc1C	ZINC000783232724	644750947	/nfs/dbraw/zinc/75/09/47/644750947.db2.gz	WGPMQPUUZKCYKA-SNVBAGLBSA-N	0	1	246.314	0.575	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000785369177	644768902	/nfs/dbraw/zinc/76/89/02/644768902.db2.gz	UWDGSQMLKLJFCO-RKDXNWHRSA-N	0	1	249.270	0.911	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1	ZINC000958158566	644778726	/nfs/dbraw/zinc/77/87/26/644778726.db2.gz	XABDPRQRWPFNPH-QNWHQSFQSA-N	0	1	248.326	0.235	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C	ZINC000958245243	644783370	/nfs/dbraw/zinc/78/33/70/644783370.db2.gz	FRKDAYIQRKOAPQ-GDNZZTSVSA-N	0	1	244.294	0.881	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1	ZINC000958323701	644789003	/nfs/dbraw/zinc/78/90/03/644789003.db2.gz	KLCGJRRWMXOXLC-IAZYJMLFSA-N	0	1	244.298	0.011	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1	ZINC000958446109	644797330	/nfs/dbraw/zinc/79/73/30/644797330.db2.gz	YRNYNBXPPOUUDX-CIQGVGRVSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C1CC1	ZINC000958491567	644800123	/nfs/dbraw/zinc/80/01/23/644800123.db2.gz	QBDONKRDYBMMMO-FTYKPCCVSA-N	0	1	232.327	0.712	20	30		BCEDMN
C[C@H]1CC(N=Nc2cncnc2)CN1C	ZINC000794979281	644806317	/nfs/dbraw/zinc/80/63/17/644806317.db2.gz	UTVDBPGMPAGHJJ-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1	ZINC000958581056	644812247	/nfs/dbraw/zinc/81/22/47/644812247.db2.gz	VGARMIQMJDYKLT-XQHKEYJVSA-N	0	1	248.326	0.235	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(C)C	ZINC000958595129	644814164	/nfs/dbraw/zinc/81/41/64/644814164.db2.gz	TVQPEJBWLTXWMX-WHOHXGKFSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C	ZINC000958816479	644830597	/nfs/dbraw/zinc/83/05/97/644830597.db2.gz	OBXBUPNPKXRPOR-IAZYJMLFSA-N	0	1	244.298	0.011	20	30		BCEDMN
Cc1cc(F)ccc1[C@@H](O)CNCC#CCO	ZINC000843078617	644833073	/nfs/dbraw/zinc/83/30/73/644833073.db2.gz	CXRHOOJUZFWASN-ZDUSSCGKSA-N	0	1	237.274	0.753	20	30		BCEDMN
CNC(=O)[C@@H]1CCCN1CCO[C@H](C)C#N	ZINC000304218961	644877055	/nfs/dbraw/zinc/87/70/55/644877055.db2.gz	GYBBWDVPDVKISD-ZJUUUORDSA-N	0	1	225.292	0.125	20	30		BCEDMN
CCCCN(CCO[C@@H](C)C#N)CC(N)=O	ZINC000304245024	644882281	/nfs/dbraw/zinc/88/22/81/644882281.db2.gz	OZHDFIKFQSPKPT-JTQLQIEISA-N	0	1	227.308	0.502	20	30		BCEDMN
C#CCCN1CCN(CCOCCC#N)CC1	ZINC000815077458	644950678	/nfs/dbraw/zinc/95/06/78/644950678.db2.gz	PJUOTZYAUQKORT-UHFFFAOYSA-N	0	1	235.331	0.558	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@H]1CCCN1C1CC1	ZINC000816669667	644965513	/nfs/dbraw/zinc/96/55/13/644965513.db2.gz	YLJMUUVOJYYQSC-ZYHUDNBSSA-N	0	1	236.315	0.114	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CN1CCCC1	ZINC000821712097	645036662	/nfs/dbraw/zinc/03/66/62/645036662.db2.gz	MPIZUNXSIDECCW-NSHDSACASA-N	0	1	226.320	0.383	20	30		BCEDMN
C#CC1CCN(CC(=O)N2CCOCC2)CC1	ZINC000830301387	645118807	/nfs/dbraw/zinc/11/88/07/645118807.db2.gz	LPFPLWDLZWESLZ-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)c(N)c1	ZINC000834484112	645142782	/nfs/dbraw/zinc/14/27/82/645142782.db2.gz	DWMBRGHAVSUQOE-LDYMZIIASA-N	0	1	248.261	0.249	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@H]2C#N)[nH]n1	ZINC000834521464	645143685	/nfs/dbraw/zinc/14/36/85/645143685.db2.gz	JQKOIEFFUHRWIU-KCJUWKMLSA-N	0	1	247.302	0.374	20	30		BCEDMN
CC(C)CNC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000841506948	645216763	/nfs/dbraw/zinc/21/67/63/645216763.db2.gz	MJHDNCMUPMFXRT-DTWKUNHWSA-N	0	1	210.281	0.053	20	30		BCEDMN
CC(C)(C)NC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000841507136	645217357	/nfs/dbraw/zinc/21/73/57/645217357.db2.gz	VTFVNMROLXKJJY-JGVFFNPUSA-N	0	1	210.281	0.196	20	30		BCEDMN
C=CCC[C@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926545282	645268355	/nfs/dbraw/zinc/26/83/55/645268355.db2.gz	JGAUWBPWUQPABV-NXEZZACHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cn3c(n2)CCC3)NO1	ZINC000843840136	645310781	/nfs/dbraw/zinc/31/07/81/645310781.db2.gz	LMYQRHPICLVMAE-SSDOTTSWSA-N	0	1	234.259	0.681	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1(CSC)CC1	ZINC000845444994	645360978	/nfs/dbraw/zinc/36/09/78/645360978.db2.gz	HXAJBBWSURDUBV-QMMMGPOBSA-N	0	1	240.328	0.975	20	30		BCEDMN
CC[C@@H](CC#N)NCCC(=O)N(C)OC	ZINC000846979931	645410458	/nfs/dbraw/zinc/41/04/58/645410458.db2.gz	DJPIYLKGJPPTDP-VIFPVBQESA-N	0	1	213.281	0.678	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1c(C)n[nH]c1C(C)C	ZINC000854544464	645508908	/nfs/dbraw/zinc/50/89/08/645508908.db2.gz	PWIQILXPLCWMPZ-JTQLQIEISA-N	0	1	249.314	0.956	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927698444	645638743	/nfs/dbraw/zinc/63/87/43/645638743.db2.gz	YWRMRAKWLZZTPY-LLVKDONJSA-N	0	1	235.287	0.311	20	30		BCEDMN
CC#CC(=O)N[C@H]1CCCN2CCSC[C@H]12	ZINC000928087956	645701781	/nfs/dbraw/zinc/70/17/81/645701781.db2.gz	WRTBHOHFTMJQNS-WDEREUQCSA-N	0	1	238.356	0.706	20	30		BCEDMN
N#C[C@H]1CCCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000928214512	645711048	/nfs/dbraw/zinc/71/10/48/645711048.db2.gz	PLSKGKHHEWAGAZ-SECBINFHSA-N	0	1	248.290	0.285	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCN1C	ZINC000928555816	645814571	/nfs/dbraw/zinc/81/45/71/645814571.db2.gz	PQWDWFHNBLRGDF-JTQLQIEISA-N	0	1	232.287	0.629	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCc2n[nH]nc2C1	ZINC000878491500	645814847	/nfs/dbraw/zinc/81/48/47/645814847.db2.gz	MMVOPNDNPZSUOU-SNVBAGLBSA-N	0	1	236.275	0.281	20	30		BCEDMN
C#CC[C@H](CO)NCc1cn(C)nc1C(F)F	ZINC000883124416	645849505	/nfs/dbraw/zinc/84/95/05/645849505.db2.gz	GHRGGJNBXNZEOO-SECBINFHSA-N	0	1	243.257	0.832	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2coc(C)n2)CC1	ZINC000928652540	645853393	/nfs/dbraw/zinc/85/33/93/645853393.db2.gz	BPVHSTRGOJYZAN-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
N#CC[C@H](NC(=O)Cc1nnc[nH]1)C(F)(F)F	ZINC000928801909	645860437	/nfs/dbraw/zinc/86/04/37/645860437.db2.gz	DHZBPVARIMBKRN-YFKPBYRVSA-N	0	1	247.180	0.308	20	30		BCEDMN
C=CCCc1noc(Cc2nnc[nH]2)n1	ZINC000924084316	645978448	/nfs/dbraw/zinc/97/84/48/645978448.db2.gz	PTDUMZQRFADEJW-UHFFFAOYSA-N	0	1	205.221	0.897	20	30		BCEDMN
C#CCN(C[C@H](O)CO)[C@H]1CCc2ccccc21	ZINC000929336045	646084367	/nfs/dbraw/zinc/08/43/67/646084367.db2.gz	ZYSVGJJVOMDEKE-ZFWWWQNUSA-N	0	1	245.322	0.962	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H](C)c1cccnc1	ZINC000035206497	646087705	/nfs/dbraw/zinc/08/77/05/646087705.db2.gz	QKQHAWGHABXBHY-MNOVXSKESA-N	0	1	231.299	0.870	20	30		BCEDMN
C=C(C)CN(C)C(=O)NC[C@H]1CCN1C	ZINC000925413982	646268243	/nfs/dbraw/zinc/26/82/43/646268243.db2.gz	JYRJFQLKCXBTMM-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=C(C)CN(C)C(=O)NC[C@@H]1CCN1C	ZINC000925413981	646269328	/nfs/dbraw/zinc/26/93/28/646269328.db2.gz	JYRJFQLKCXBTMM-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C#CCN(C(=O)NC[C@H]1CCN1C)C1CC1	ZINC000925413153	646269430	/nfs/dbraw/zinc/26/94/30/646269430.db2.gz	FGHKSPLFEWOPAT-LLVKDONJSA-N	0	1	221.304	0.498	20	30		BCEDMN
C#CCC1(NC(=O)NC[C@H]2CCN2C)CCC1	ZINC000925439109	646284029	/nfs/dbraw/zinc/28/40/29/646284029.db2.gz	QXGWBRNSDMHELD-LLVKDONJSA-N	0	1	235.331	0.936	20	30		BCEDMN
CN(CCOCC1CC1)C[C@H](O)CC#N	ZINC000929826772	646340816	/nfs/dbraw/zinc/34/08/16/646340816.db2.gz	VXMXROUAEANCJE-LLVKDONJSA-N	0	1	212.293	0.619	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCC1(OC)OC)[C@@H]1CCCO1	ZINC000926211930	646594988	/nfs/dbraw/zinc/59/49/88/646594988.db2.gz	WNASRWQLJYCNGN-SDDRHHMPSA-N	0	1	239.315	0.908	20	30		BCEDMN
CC(=O)OC(C)(C)C(=O)NCC#CCN(C)C	ZINC000913520916	711823881	/nfs/dbraw/zinc/82/38/81/711823881.db2.gz	DFDCAOQJKCJWLE-UHFFFAOYSA-N	0	1	240.303	0.009	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)cnn1	ZINC000913521041	711823986	/nfs/dbraw/zinc/82/39/86/711823986.db2.gz	JCWJGVMUIHIPLN-UHFFFAOYSA-N	0	1	232.287	0.080	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001077524060	711856917	/nfs/dbraw/zinc/85/69/17/711856917.db2.gz	USZBXIRQQHOQEF-NNYUYHANSA-N	0	1	238.331	0.380	20	30		BCEDMN
C[C@H](C#N)CNC(=O)C1=NC(=O)N(C)C1	ZINC000708392554	712191703	/nfs/dbraw/zinc/19/17/03/712191703.db2.gz	SVYASIFSSMFSNT-ZCFIWIBFSA-N	0	1	208.221	0.015	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1	ZINC001079743383	712350602	/nfs/dbraw/zinc/35/06/02/712350602.db2.gz	NDOKEKNMUIHRTB-GHMZBOCLSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H](CSC)C1	ZINC000390209098	712388675	/nfs/dbraw/zinc/38/86/75/712388675.db2.gz	UGBKUUJGMZYABD-LLVKDONJSA-N	0	1	240.372	0.811	20	30		BCEDMN
CCN1CC[C@@H]1CNc1ccnc(C#N)n1	ZINC000712571014	712447751	/nfs/dbraw/zinc/44/77/51/712447751.db2.gz	UJYYRXCYFPARHO-SECBINFHSA-N	0	1	217.276	0.276	20	30		BCEDMN
C=CC[C@H](CO)NCc1cn(CC)nn1	ZINC000714927679	712500296	/nfs/dbraw/zinc/50/02/96/712500296.db2.gz	JVHDTPXHLQQSGP-SECBINFHSA-N	0	1	210.281	0.325	20	30		BCEDMN
CCn1ccnc(NCC#CCN(C)C)c1=O	ZINC000717606943	712662475	/nfs/dbraw/zinc/66/24/75/712662475.db2.gz	UOHROPWNECXODW-UHFFFAOYSA-N	0	1	234.303	0.240	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCC#CCN(C)C	ZINC000717665447	712663814	/nfs/dbraw/zinc/66/38/14/712663814.db2.gz	GESVTYOHVOTKRN-LBPRGKRZSA-N	0	1	221.304	0.607	20	30		BCEDMN
CC#CC[C@H](CO)N[C@@H](C)c1cnccn1	ZINC000717813194	712681046	/nfs/dbraw/zinc/68/10/46/712681046.db2.gz	HNZMVOPGQGVLDQ-WDEREUQCSA-N	0	1	219.288	0.902	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CCCS1	ZINC000381483115	710645319	/nfs/dbraw/zinc/64/53/19/710645319.db2.gz	FZXZIGUNZPIUFY-HLTSFMKQSA-N	0	1	225.317	0.110	20	30		BCEDMN
C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001038195014	710678731	/nfs/dbraw/zinc/67/87/31/710678731.db2.gz	RIHDHCBYYLAAKZ-SNVBAGLBSA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001038195014	710678734	/nfs/dbraw/zinc/67/87/34/710678734.db2.gz	RIHDHCBYYLAAKZ-SNVBAGLBSA-N	0	1	247.298	0.777	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1	ZINC001038289857	710682918	/nfs/dbraw/zinc/68/29/18/710682918.db2.gz	QVWHYRJVGXWVSY-GFCCVEGCSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cc[nH]c1	ZINC001038289857	710682922	/nfs/dbraw/zinc/68/29/22/710682922.db2.gz	QVWHYRJVGXWVSY-GFCCVEGCSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C	ZINC001038416765	710685696	/nfs/dbraw/zinc/68/56/96/710685696.db2.gz	LLMFEHUMMGUXDL-CHWSQXEVSA-N	0	1	249.358	0.294	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cnon1	ZINC001038841169	710709047	/nfs/dbraw/zinc/70/90/47/710709047.db2.gz	XGUMEGOYAGCJBG-VIFPVBQESA-N	0	1	236.275	0.450	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cccnn1	ZINC001038844581	710712197	/nfs/dbraw/zinc/71/21/97/710712197.db2.gz	LTUNZXJBAANJDV-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
CCC[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000393790637	710719689	/nfs/dbraw/zinc/71/96/89/710719689.db2.gz	LSPPANBBFUDXPJ-GUBZILKMSA-N	0	1	209.293	0.650	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc2n1CCOC2	ZINC000722851019	710722306	/nfs/dbraw/zinc/72/23/06/710722306.db2.gz	OOVUBEPPWXQPPM-LLVKDONJSA-N	0	1	249.314	0.277	20	30		BCEDMN
C=CCN1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1	ZINC001042492876	710788089	/nfs/dbraw/zinc/78/80/89/710788089.db2.gz	AXDHTLIISCKMCO-UHFFFAOYSA-N	0	1	248.330	0.914	20	30		BCEDMN
C#CCCN1CC(N(C)C(=O)c2cc(C)[nH]n2)C1	ZINC001042516443	710789851	/nfs/dbraw/zinc/78/98/51/710789851.db2.gz	RCJDJONNKYJCJJ-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
CC(=NN1CCOCC1)c1ccc(N)nc1	ZINC000382148562	710799649	/nfs/dbraw/zinc/79/96/49/710799649.db2.gz	OTYUEHZZPLUJGR-UHFFFAOYSA-N	0	1	220.276	0.550	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2ccnn2C)C1	ZINC001046181734	710855247	/nfs/dbraw/zinc/85/52/47/710855247.db2.gz	AAMOHNFYVJRBSJ-ZDUSSCGKSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1	ZINC001046239008	710856663	/nfs/dbraw/zinc/85/66/63/710856663.db2.gz	MVDIMDDISNNMHR-CYBMUJFWSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1	ZINC001046286252	710858621	/nfs/dbraw/zinc/85/86/21/710858621.db2.gz	UNSDXUZFELFYFZ-GFCCVEGCSA-N	0	1	249.318	0.195	20	30		BCEDMN
CC#CCN1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1	ZINC001046306875	710859349	/nfs/dbraw/zinc/85/93/49/710859349.db2.gz	XFKRIKAPKHBEMK-CYBMUJFWSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2c[nH]nc2C)C1	ZINC001046526035	710861315	/nfs/dbraw/zinc/86/13/15/710861315.db2.gz	NKCJSNADSQNBJP-CYBMUJFWSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1	ZINC001046698058	710864530	/nfs/dbraw/zinc/86/45/30/710864530.db2.gz	BKDSCESHMULJEU-GFCCVEGCSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1	ZINC001047308821	710869710	/nfs/dbraw/zinc/86/97/10/710869710.db2.gz	RLDWLOSAWOHKQE-RYUDHWBXSA-N	0	1	240.347	0.722	20	30		BCEDMN
C=CCN1CCN([C@H]2CCN(C(C)=O)C2)CC1	ZINC001051955710	710960568	/nfs/dbraw/zinc/96/05/68/710960568.db2.gz	FSQVMLFDMKEVNT-ZDUSSCGKSA-N	0	1	237.347	0.411	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H](CC)OC	ZINC000386151836	711023691	/nfs/dbraw/zinc/02/36/91/711023691.db2.gz	SGGBUNTZFMCJOY-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
Nc1ncccc1CN=Nc1cnccn1	ZINC000390120680	711106606	/nfs/dbraw/zinc/10/66/06/711106606.db2.gz	FNFBBFBZIPUNON-UHFFFAOYSA-N	0	1	214.232	0.322	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)c1cc(C)nn1C	ZINC000393608964	711165961	/nfs/dbraw/zinc/16/59/61/711165961.db2.gz	LBPUAKMZNBONCC-VHSXEESVSA-N	0	1	209.293	0.926	20	30		BCEDMN
C=CCN1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2	ZINC001071107744	711167070	/nfs/dbraw/zinc/16/70/70/711167070.db2.gz	KFYCPNJRHDWKGZ-YPMHNXCESA-N	0	1	238.331	0.884	20	30		BCEDMN
CC[N@H+]1CCC(=NNCC(=O)[O-])[C@H](C)C1	ZINC000393910841	711178371	/nfs/dbraw/zinc/17/83/71/711178371.db2.gz	BQXCTPGWJRBLJZ-MRVPVSSYSA-N	0	1	213.281	0.378	20	30		BCEDMN
C#CCN1C[C@@H](NC(=O)C2CC2)CC[C@H]1C	ZINC001071291879	711186279	/nfs/dbraw/zinc/18/62/79/711186279.db2.gz	QMNINTBETWAGFZ-PWSUYJOCSA-N	0	1	220.316	0.999	20	30		BCEDMN
C=C(C)CN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C	ZINC001071788710	711202680	/nfs/dbraw/zinc/20/26/80/711202680.db2.gz	JGZDMLQLGFAUQA-ZJUUUORDSA-N	0	1	239.319	0.017	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC001010672768	710593551	/nfs/dbraw/zinc/59/35/51/710593551.db2.gz	WMJNLFJBXVOLBL-LLVKDONJSA-N	0	1	244.298	0.876	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001014867559	710612052	/nfs/dbraw/zinc/61/20/52/710612052.db2.gz	GCWJNFVUAUQVEF-VIFPVBQESA-N	0	1	248.286	0.172	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cc(F)c[nH]1	ZINC001038521867	710692978	/nfs/dbraw/zinc/69/29/78/710692978.db2.gz	ONPOLPTWIMGHFI-NSHDSACASA-N	0	1	249.289	0.981	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001038607988	710699266	/nfs/dbraw/zinc/69/92/66/710699266.db2.gz	NUFLHYUPODPJRH-NDBYEHHHSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1CC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21	ZINC001041877141	710771378	/nfs/dbraw/zinc/77/13/78/710771378.db2.gz	YPTCHOKBVZVHBH-YPMHNXCESA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2cnco2)CC1	ZINC001045516171	710839751	/nfs/dbraw/zinc/83/97/51/710839751.db2.gz	HJSONZGDTXQHEY-UHFFFAOYSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1	ZINC001046139072	710851528	/nfs/dbraw/zinc/85/15/28/710851528.db2.gz	BMDWSDZWGBXBKS-CYBMUJFWSA-N	0	1	231.299	0.842	20	30		BCEDMN
C=C(C)CN1C[C@H](O)[C@@H](N(C)C(C)=O)C1	ZINC001047269921	710869228	/nfs/dbraw/zinc/86/92/28/710869228.db2.gz	MZTSMBWNTKONQA-QWRGUYRKSA-N	0	1	212.293	0.086	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCc1n[nH]c(C)n1	ZINC000392735442	711149689	/nfs/dbraw/zinc/14/96/89/711149689.db2.gz	VNWPMMHCGDTSEQ-SNVBAGLBSA-N	0	1	221.264	0.669	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1	ZINC001072530044	711378706	/nfs/dbraw/zinc/37/87/06/711378706.db2.gz	HKOXAZSGGJHZRP-GFCCVEGCSA-N	0	1	248.326	0.190	20	30		BCEDMN
C=CCN1CCCO[C@H](CNC(C)=O)C1	ZINC001073499202	711440810	/nfs/dbraw/zinc/44/08/10/711440810.db2.gz	GAHCOHFTMSTYHY-LLVKDONJSA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1	ZINC000971024960	711494579	/nfs/dbraw/zinc/49/45/79/711494579.db2.gz	KZDUEHMPQWCYHE-VXGBXAGGSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1	ZINC000971502181	711521540	/nfs/dbraw/zinc/52/15/40/711521540.db2.gz	MPSXCSXCNRFTKE-SNVBAGLBSA-N	0	1	232.287	0.189	20	30		BCEDMN
C=C(Br)CNCCC(N)=O	ZINC000037681375	711585308	/nfs/dbraw/zinc/58/53/08/711585308.db2.gz	UHPUQADAABVVAF-UHFFFAOYSA-N	0	1	207.071	0.360	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C2CC2)CC1	ZINC000724682716	711608645	/nfs/dbraw/zinc/60/86/45/711608645.db2.gz	XTUZYTLOUPUULD-UHFFFAOYSA-N	0	1	220.316	0.858	20	30		BCEDMN
C[C@@H]1CN(Cc2cncc(C#N)c2)C[C@H]1O	ZINC000721556816	711624644	/nfs/dbraw/zinc/62/46/44/711624644.db2.gz	MQNMNDIAQUFDMO-BXKDBHETSA-N	0	1	217.272	0.766	20	30		BCEDMN
C=CC[N@@H+](CCO[C@H]1CCOC1)CC(=O)[O-]	ZINC000724929923	711629933	/nfs/dbraw/zinc/62/99/33/711629933.db2.gz	FMZOEPGZTISQPY-JTQLQIEISA-N	0	1	229.276	0.365	20	30		BCEDMN
C=CC[N@H+](CCO[C@H]1CCOC1)CC(=O)[O-]	ZINC000724929923	711629934	/nfs/dbraw/zinc/62/99/34/711629934.db2.gz	FMZOEPGZTISQPY-JTQLQIEISA-N	0	1	229.276	0.365	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001006881799	711655581	/nfs/dbraw/zinc/65/55/81/711655581.db2.gz	NQBORKCSDBOWMG-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CC[N@@H+](C)CCCNc1nc(C(=O)[O-])co1	ZINC000383126079	711682814	/nfs/dbraw/zinc/68/28/14/711682814.db2.gz	HTNHBNDVLAJLPF-UHFFFAOYSA-N	0	1	237.259	0.162	20	30		BCEDMN
C#CC[N@@H+](C)CCCNc1ccc(C(=O)[O-])cn1	ZINC000394142190	711683797	/nfs/dbraw/zinc/68/37/97/711683797.db2.gz	VTJLGFNEWBVKMY-UHFFFAOYSA-N	0	1	247.298	0.569	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1	ZINC001075523961	711685586	/nfs/dbraw/zinc/68/55/86/711685586.db2.gz	HYHVBXDJSFUPDZ-XQQFMLRXSA-N	0	1	248.326	0.331	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1	ZINC001075576419	711732741	/nfs/dbraw/zinc/73/27/41/711732741.db2.gz	ZICIYCZKXHSDEY-CMPLNLGQSA-N	0	1	246.314	0.742	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ncc[nH]1	ZINC001027872490	711739932	/nfs/dbraw/zinc/73/99/32/711739932.db2.gz	RXHJKDMQBKQDRU-SNVBAGLBSA-N	0	1	232.287	0.237	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cn(C)cn1	ZINC001038162541	711761038	/nfs/dbraw/zinc/76/10/38/711761038.db2.gz	SVRZDAAYQARAHY-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
CN(C)C1(C(=O)N2CCC[C@H](C#N)C2)CC1	ZINC000928216690	711767977	/nfs/dbraw/zinc/76/79/77/711767977.db2.gz	JODJFEYFCLSOFD-SNVBAGLBSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCOCCNC(=O)[C@H]1CCCCN1CC	ZINC000753233676	711793232	/nfs/dbraw/zinc/79/32/32/711793232.db2.gz	YLHLSTPFNFBRLG-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCN1C	ZINC001038119355	711801378	/nfs/dbraw/zinc/80/13/78/711801378.db2.gz	VVDGMGNQHBTILJ-STQMWFEESA-N	0	1	249.358	0.294	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1cccs1	ZINC000913514453	711823483	/nfs/dbraw/zinc/82/34/83/711823483.db2.gz	QIGPJJXOAXXSIT-UHFFFAOYSA-N	0	1	236.340	0.972	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccccn1	ZINC000913513167	711823504	/nfs/dbraw/zinc/82/35/04/711823504.db2.gz	BAMTUUUGMGGYKB-UHFFFAOYSA-N	0	1	217.272	0.376	20	30		BCEDMN
CCc1cc(C(=O)NCC#CCN(C)C)n(C)n1	ZINC000913525298	711823525	/nfs/dbraw/zinc/82/35/25/711823525.db2.gz	QWGUILRSYOPWCW-UHFFFAOYSA-N	0	1	248.330	0.277	20	30		BCEDMN
Cc1cnc(C(=O)NCC#CCN(C)C)cn1	ZINC000913514463	711823658	/nfs/dbraw/zinc/82/36/58/711823658.db2.gz	QYPWHRSURNSNAT-UHFFFAOYSA-N	0	1	232.287	0.080	20	30		BCEDMN
Cc1cc(C)n(CC(=O)NCC#CCN(C)C)n1	ZINC000913515819	711823734	/nfs/dbraw/zinc/82/37/34/711823734.db2.gz	ORDLGOGGKZNBRC-UHFFFAOYSA-N	0	1	248.330	0.181	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)n1C	ZINC000913515710	711823744	/nfs/dbraw/zinc/82/37/44/711823744.db2.gz	KCKPKZWKDCDJDV-UHFFFAOYSA-N	0	1	233.315	0.628	20	30		BCEDMN
CN(C)CC#CCNC(=O)/C=C\c1cnn(C)c1	ZINC000913515646	711823756	/nfs/dbraw/zinc/82/37/56/711823756.db2.gz	GXSWGZRLLYDSBO-SREVYHEPSA-N	0	1	246.314	0.115	20	30		BCEDMN
CC(C)[C@H]1C[C@H]1C(=O)NCC#CCN(C)C	ZINC000913521094	711823897	/nfs/dbraw/zinc/82/38/97/711823897.db2.gz	KPKROJNBTXQKSL-VXGBXAGGSA-N	0	1	222.332	0.960	20	30		BCEDMN
C[C@H]1C[C@@H](C(=O)NCC#CCN(C)C)CO1	ZINC000913520911	711824059	/nfs/dbraw/zinc/82/40/59/711824059.db2.gz	DBSSWLPIBHGTBL-WDEREUQCSA-N	0	1	224.304	0.093	20	30		BCEDMN
C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCOC1	ZINC001038099321	711824940	/nfs/dbraw/zinc/82/49/40/711824940.db2.gz	WNFKTESXFFUCJQ-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
C/C=C/C(=O)NC1(C#N)CCN(C)CC1	ZINC000701306775	711858034	/nfs/dbraw/zinc/85/80/34/711858034.db2.gz	MNMXZGBEEWESCY-ONEGZZNKSA-N	0	1	207.277	0.667	20	30		BCEDMN
CC#CCN1CCC[C@@H](NC(C)=O)[C@H]1C	ZINC000992930497	711861792	/nfs/dbraw/zinc/86/17/92/711861792.db2.gz	ZLWNNPWMMQBYGG-ZYHUDNBSSA-N	0	1	208.305	0.999	20	30		BCEDMN
CC#CCN1CCC[C@H](NC(C)=O)[C@@H]1C	ZINC000992930495	711861841	/nfs/dbraw/zinc/86/18/41/711861841.db2.gz	ZLWNNPWMMQBYGG-JQWIXIFHSA-N	0	1	208.305	0.999	20	30		BCEDMN
CC#CCN1CCC[C@H](NC(C)=O)[C@H]1C	ZINC000992930496	711861959	/nfs/dbraw/zinc/86/19/59/711861959.db2.gz	ZLWNNPWMMQBYGG-PWSUYJOCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CC[NH+]1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001031628864	711880167	/nfs/dbraw/zinc/88/01/67/711880167.db2.gz	DYCDPLFPCHRQNG-UHFFFAOYSA-N	0	1	247.298	0.635	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ncccc2O)C1	ZINC001031628864	711880171	/nfs/dbraw/zinc/88/01/71/711880171.db2.gz	DYCDPLFPCHRQNG-UHFFFAOYSA-N	0	1	247.298	0.635	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2C[C@H](C)CO2)C1	ZINC001031858153	711893547	/nfs/dbraw/zinc/89/35/47/711893547.db2.gz	QJRRZCWQLIGJIN-JQWIXIFHSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C	ZINC001032563846	711926052	/nfs/dbraw/zinc/92/60/52/711926052.db2.gz	PUKWTECOQWEUEC-MROQNXINSA-N	0	1	232.327	0.951	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ccn[nH]1	ZINC001038079361	711945977	/nfs/dbraw/zinc/94/59/77/711945977.db2.gz	VMFVLXRCKXFXIE-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
N#CCCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000359046750	711956354	/nfs/dbraw/zinc/95/63/54/711956354.db2.gz	VGYBYWOWLMSSNR-QMMMGPOBSA-N	0	1	233.275	0.480	20	30		BCEDMN
CN(C(=O)Cc1ccn[nH]1)[C@@H]1CCN(CC#N)C1	ZINC001032982466	711969823	/nfs/dbraw/zinc/96/98/23/711969823.db2.gz	UEHYTNINANXMDJ-LLVKDONJSA-N	0	1	247.302	0.008	20	30		BCEDMN
CN(C(=O)Cc1ccn[nH]1)[C@H]1CCN(CC#N)C1	ZINC001032982467	711969902	/nfs/dbraw/zinc/96/99/02/711969902.db2.gz	UEHYTNINANXMDJ-NSHDSACASA-N	0	1	247.302	0.008	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1	ZINC001033355708	711987615	/nfs/dbraw/zinc/98/76/15/711987615.db2.gz	DZVBZQCNGMTSQS-GFCCVEGCSA-N	0	1	249.314	0.936	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1	ZINC001033457286	711991981	/nfs/dbraw/zinc/99/19/81/711991981.db2.gz	HNVMAYGZCJSZRQ-GFCCVEGCSA-N	0	1	246.314	0.118	20	30		BCEDMN
C#CC1(O)CCN(Cc2cnoc2C)CC1	ZINC000700758395	712004462	/nfs/dbraw/zinc/00/44/62/712004462.db2.gz	ALPVASHLICRABH-UHFFFAOYSA-N	0	1	220.272	0.943	20	30		BCEDMN
N#CC1(NC(=O)c2ncn[nH]2)CCCCC1	ZINC000700872377	712009600	/nfs/dbraw/zinc/00/96/00/712009600.db2.gz	VFHXADVUHRILNM-UHFFFAOYSA-N	0	1	219.248	0.761	20	30		BCEDMN
N#CC1(NC(=O)c2nc[nH]n2)CCCCC1	ZINC000700872377	712009603	/nfs/dbraw/zinc/00/96/03/712009603.db2.gz	VFHXADVUHRILNM-UHFFFAOYSA-N	0	1	219.248	0.761	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1	ZINC001033672968	712011169	/nfs/dbraw/zinc/01/11/69/712011169.db2.gz	UOBODYSLOVEMEF-ZDUSSCGKSA-N	0	1	245.326	0.723	20	30		BCEDMN
C#CCN1CC[C@H](N(CC)C(=O)c2ccn[nH]2)C1	ZINC001033762958	712017640	/nfs/dbraw/zinc/01/76/40/712017640.db2.gz	CKJLEQQMYBOJLY-NSHDSACASA-N	0	1	246.314	0.579	20	30		BCEDMN
C/C=C\C(=O)NC1(C#N)CCN(C)CC1	ZINC000701306773	712019511	/nfs/dbraw/zinc/01/95/11/712019511.db2.gz	MNMXZGBEEWESCY-ARJAWSKDSA-N	0	1	207.277	0.667	20	30		BCEDMN
C#CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2	ZINC000703839854	712090117	/nfs/dbraw/zinc/09/01/17/712090117.db2.gz	TZSJMEZZDJDRRS-MNOVXSKESA-N	0	1	238.356	0.706	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)S2	ZINC000703839854	712090119	/nfs/dbraw/zinc/09/01/19/712090119.db2.gz	TZSJMEZZDJDRRS-MNOVXSKESA-N	0	1	238.356	0.706	20	30		BCEDMN
C[C@@H](O)[C@@H]1CCCCN1CC(=O)NCCC#N	ZINC000708314142	712186769	/nfs/dbraw/zinc/18/67/69/712186769.db2.gz	ZEXHKKYWBYQICI-MNOVXSKESA-N	0	1	239.319	0.252	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1	ZINC000708338546	712188749	/nfs/dbraw/zinc/18/87/49/712188749.db2.gz	QZBBQSOBJAXWOC-SECBINFHSA-N	0	1	233.271	0.611	20	30		BCEDMN
CN1CC(C(=O)N[C@H](C#N)C2CC2)=NC1=O	ZINC000708392555	712191646	/nfs/dbraw/zinc/19/16/46/712191646.db2.gz	SXUVJWXKSDHROU-SSDOTTSWSA-N	0	1	220.232	0.158	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000708396218	712192490	/nfs/dbraw/zinc/19/24/90/712192490.db2.gz	QSWNGVYTLCMLNJ-ZETCQYMHSA-N	0	1	222.248	0.500	20	30		BCEDMN
CN1CC(C(=O)NCC2(CC#N)CC2)=NC1=O	ZINC000708394894	712192787	/nfs/dbraw/zinc/19/27/87/712192787.db2.gz	BXCHULIUQKPWFA-UHFFFAOYSA-N	0	1	234.259	0.549	20	30		BCEDMN
N#CC[C@H]1CCCN(CCn2cnnn2)C1	ZINC000711943273	712340088	/nfs/dbraw/zinc/34/00/88/712340088.db2.gz	NCKHUGCVGONGGW-SNVBAGLBSA-N	0	1	220.280	0.299	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)c1ccc(C#N)cc1	ZINC000712263290	712344958	/nfs/dbraw/zinc/34/49/58/712344958.db2.gz	GAJXKQXNBJWYDZ-GFCCVEGCSA-N	0	1	229.283	0.992	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1	ZINC001079474534	712348659	/nfs/dbraw/zinc/34/86/59/712348659.db2.gz	GQYQQKDTEZQDJG-DGCLKSJQSA-N	0	1	248.326	0.750	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001079443162	712348741	/nfs/dbraw/zinc/34/87/41/712348741.db2.gz	SKGFILQPNQGWNM-MWLCHTKSSA-N	0	1	234.303	0.646	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001079515245	712350256	/nfs/dbraw/zinc/35/02/56/712350256.db2.gz	VLSHYVPZDARILV-ZYHUDNBSSA-N	0	1	246.314	0.022	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1	ZINC001080312518	712353168	/nfs/dbraw/zinc/35/31/68/712353168.db2.gz	WKEBQWVXBYKHPB-ZYHUDNBSSA-N	0	1	247.298	0.287	20	30		BCEDMN
C[C@H]1CC(=NNCC(=O)[O-])C[N@@H+]1C1CC1	ZINC000378674763	712356403	/nfs/dbraw/zinc/35/64/03/712356403.db2.gz	NUIWYEOKOVOOGH-ZETCQYMHSA-N	0	1	211.265	0.273	20	30		BCEDMN
C[C@H]1CC(=NNCC(=O)[O-])C[N@H+]1C1CC1	ZINC000378674763	712356404	/nfs/dbraw/zinc/35/64/04/712356404.db2.gz	NUIWYEOKOVOOGH-ZETCQYMHSA-N	0	1	211.265	0.273	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@H](C(=O)OC)C1	ZINC000715742626	712531140	/nfs/dbraw/zinc/53/11/40/712531140.db2.gz	ZAKLVFWDFPKVCQ-ZJUUUORDSA-N	0	1	213.277	0.825	20	30		BCEDMN
CON=CC(=O)Nc1nc(SC)n[nH]1	ZINC000809642536	712584897	/nfs/dbraw/zinc/58/48/97/712584897.db2.gz	KAMYXEVSIRAAAL-UHFFFAOYSA-N	0	1	215.238	0.097	20	30		BCEDMN
C#CCNC(=O)CN(CC)C[C@@H](C)OC	ZINC000379853004	712616887	/nfs/dbraw/zinc/61/68/87/712616887.db2.gz	KYWVYWGWLPAKAD-SNVBAGLBSA-N	0	1	212.293	0.093	20	30		BCEDMN
C=CCOCCN1CCC[C@H]2CCNC(=O)[C@H]21	ZINC000880523707	712633511	/nfs/dbraw/zinc/63/35/11/712633511.db2.gz	KNGILGSRGCLKQG-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCC1(O)CCN([C@H](CC)C(N)=O)CC1	ZINC000717422957	712657650	/nfs/dbraw/zinc/65/76/50/712657650.db2.gz	IJJYLEYIKAFQGD-SNVBAGLBSA-N	0	1	226.320	0.653	20	30		BCEDMN
C#CCCCCC(=O)NCC#CCN(C)C	ZINC000717595520	712661081	/nfs/dbraw/zinc/66/10/81/712661081.db2.gz	PWZDUTRTGOGBRW-UHFFFAOYSA-N	0	1	220.316	0.861	20	30		BCEDMN
C[NH+](C)CC#CCNC(=O)c1cncc([O-])c1	ZINC000717595234	712661211	/nfs/dbraw/zinc/66/12/11/712661211.db2.gz	NDOKEAVIKDIJIE-UHFFFAOYSA-N	0	1	233.271	0.082	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(CO)o1	ZINC000717788538	712677618	/nfs/dbraw/zinc/67/76/18/712677618.db2.gz	UNMAOTSZYTUFJS-VIFPVBQESA-N	0	1	209.245	0.246	20	30		BCEDMN
C#CC[C@H](CO)NCc1c(C)noc1C	ZINC000717788020	712677622	/nfs/dbraw/zinc/67/76/22/712677622.db2.gz	QSNLNFKQBHPJPC-SNVBAGLBSA-N	0	1	208.261	0.765	20	30		BCEDMN
CS(=O)(=O)CCNCc1ccc(C#N)cc1	ZINC000037740449	712753249	/nfs/dbraw/zinc/75/32/49/712753249.db2.gz	MRCQCABMJUOUKL-UHFFFAOYSA-N	0	1	238.312	0.692	20	30		BCEDMN
C=C(C)CN(CC)C(=O)C[N@@H+](C)CCC(=O)[O-]	ZINC000037932932	712788304	/nfs/dbraw/zinc/78/83/04/712788304.db2.gz	LMXXHSLTRMEUPB-UHFFFAOYSA-N	0	1	242.319	0.818	20	30		BCEDMN
N#CCC(=O)N[C@@H]1CCCN2CCSC[C@@H]12	ZINC000720511299	712847777	/nfs/dbraw/zinc/84/77/77/712847777.db2.gz	MTYFGMSKHFOTNB-ZJUUUORDSA-N	0	1	239.344	0.596	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)C1CC1	ZINC001037984817	712895332	/nfs/dbraw/zinc/89/53/32/712895332.db2.gz	LSEASSQPLSSHMA-NSHDSACASA-N	0	1	206.289	0.610	20	30		BCEDMN
C=CCSCCNC(=O)[C@@H](C)N(C)C	ZINC000602087424	349435138	/nfs/dbraw/zinc/43/51/38/349435138.db2.gz	GJRBSPUYYOHKLO-SECBINFHSA-N	0	1	216.350	0.972	20	30		BCEDMN
C[C@@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000034673970	136212222	/nfs/dbraw/zinc/21/22/22/136212222.db2.gz	IJGPEDDIKRLIKY-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
N#C[C@H](CO)NC(=O)[C@H]1CCN1C1CCCC1	ZINC000602159225	349465347	/nfs/dbraw/zinc/46/53/47/349465347.db2.gz	QUBRAPGGHAQMQV-MWLCHTKSSA-N	0	1	237.303	0.004	20	30		BCEDMN
C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)N(C)C	ZINC000602188430	349468923	/nfs/dbraw/zinc/46/89/23/349468923.db2.gz	QFMXQASNRJAQQT-KOLCDFICSA-N	0	1	209.293	0.699	20	30		BCEDMN
CNC(=O)N[C@H]1CCN(CCCC#N)C1	ZINC000408256663	136212986	/nfs/dbraw/zinc/21/29/86/136212986.db2.gz	MMEQZJQNUDUDRV-VIFPVBQESA-N	0	1	210.281	0.293	20	30		BCEDMN
N#Cc1cc(NCCN2CCC(O)CC2)ncn1	ZINC000322336347	343978922	/nfs/dbraw/zinc/97/89/22/343978922.db2.gz	QNUCXOJCSTVCLM-UHFFFAOYSA-N	0	1	247.302	0.217	20	30		BCEDMN
N#CCCN1CCN(C(=O)Cc2ccn[nH]2)CC1	ZINC000602208595	349475096	/nfs/dbraw/zinc/47/50/96/349475096.db2.gz	RFXDOQLEOROWFA-UHFFFAOYSA-N	0	1	247.302	0.010	20	30		BCEDMN
C[C@@H](C#N)C(=O)N(C)[C@H]1CN2CCC1CC2	ZINC000334192765	136215766	/nfs/dbraw/zinc/21/57/66/136215766.db2.gz	JPNYMGVUBZZTBA-ONGXEEELSA-N	0	1	221.304	0.699	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)[C@H](C)OC)nn1	ZINC000424290913	398180778	/nfs/dbraw/zinc/18/07/78/398180778.db2.gz	CMWFRHRZFAYXHE-UWVGGRQHSA-N	0	1	224.308	0.977	20	30		BCEDMN
C#C[C@H](C)N[C@H](Cc1ccccc1)C(N)=O	ZINC000274776257	398164369	/nfs/dbraw/zinc/16/43/69/398164369.db2.gz	KPLKNMSIOWADRV-CMPLNLGQSA-N	0	1	216.284	0.694	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCC(C)(C)C	ZINC000625564786	398200014	/nfs/dbraw/zinc/20/00/14/398200014.db2.gz	YCHAUPYQDUYTHW-SECBINFHSA-N	0	1	214.309	0.285	20	30		BCEDMN
CC(C)N1CCN(c2ncncc2C#N)CC1	ZINC000306083344	343982873	/nfs/dbraw/zinc/98/28/73/343982873.db2.gz	FLGWCOPUXZQJSY-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NCCN1CC[C@H](O)C1	ZINC000629915715	361770468	/nfs/dbraw/zinc/77/04/68/361770468.db2.gz	LRDFJHSTKVQKTH-RYUDHWBXSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#CCNC(=O)CCN(C(C)C)C1COC1	ZINC000295280190	166172336	/nfs/dbraw/zinc/17/23/36/166172336.db2.gz	CYHWYZSNOWZSEW-UHFFFAOYSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCNCC1(C)C	ZINC000390798994	398249821	/nfs/dbraw/zinc/24/98/21/398249821.db2.gz	VYWPICYWUDXTJQ-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
COCCCN(CCO)Cc1ccc(C#N)cn1	ZINC000576644690	365648448	/nfs/dbraw/zinc/64/84/48/365648448.db2.gz	LBBILWFNQSGPCQ-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
CN(CCC#N)C[C@H](O)CNCc1ccccn1	ZINC000576748160	365675097	/nfs/dbraw/zinc/67/50/97/365675097.db2.gz	GYLWYALSISLFLP-CYBMUJFWSA-N	0	1	248.330	0.378	20	30		BCEDMN
CCC(C#N)(CC)C(=O)NC[C@@H]1COCCN1	ZINC000602550028	349591804	/nfs/dbraw/zinc/59/18/04/349591804.db2.gz	ICLCQAAJFFKNAE-SNVBAGLBSA-N	0	1	239.319	0.421	20	30		BCEDMN
N#CC1(C(=O)NC[C@H]2COCCN2)CC2(CC2)C1	ZINC000602552532	349594559	/nfs/dbraw/zinc/59/45/59/349594559.db2.gz	UKVNPPLTBAHSDV-JTQLQIEISA-N	0	1	249.314	0.175	20	30		BCEDMN
C[C@H]1CN(C(=O)NCC(C)(C)C#N)CCN1	ZINC000335603136	136235561	/nfs/dbraw/zinc/23/55/61/136235561.db2.gz	BHMYRXMQKMSOBY-VIFPVBQESA-N	0	1	224.308	0.539	20	30		BCEDMN
COC[C@H](O)CN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000042504971	342777822	/nfs/dbraw/zinc/77/78/22/342777822.db2.gz	OGERUGOISBODGK-GMTAPVOTSA-N	0	1	212.293	0.618	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CN(C)C1CCC1	ZINC000630005070	361895581	/nfs/dbraw/zinc/89/55/81/361895581.db2.gz	QHIILPHTIBOSJY-NSHDSACASA-N	0	1	240.347	0.914	20	30		BCEDMN
CC#CCN1CCC(NC(=O)COC)CC1	ZINC000607726765	342782461	/nfs/dbraw/zinc/78/24/61/342782461.db2.gz	HBMLIIOMASMJDP-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)CN(C)C1CCC1	ZINC000630012553	361898354	/nfs/dbraw/zinc/89/83/54/361898354.db2.gz	ZCDVSQKYYPYSCA-NSHDSACASA-N	0	1	238.331	0.361	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@H]1CCCn2nccc21	ZINC000634580812	342796236	/nfs/dbraw/zinc/79/62/36/342796236.db2.gz	KYMVBLBKJYLFQD-QWRGUYRKSA-N	0	1	248.330	0.998	20	30		BCEDMN
C=CC[C@H](CO)NCc1cc(C(=O)OC)no1	ZINC000602610751	349634396	/nfs/dbraw/zinc/63/43/96/349634396.db2.gz	ABUHPQSDVYSWEA-MRVPVSSYSA-N	0	1	240.259	0.488	20	30		BCEDMN
CC[C@@H](CC#N)N[C@H](C)Cn1cncn1	ZINC000602611433	349634540	/nfs/dbraw/zinc/63/45/40/349634540.db2.gz	LMFKFDJOEVJEOR-ZJUUUORDSA-N	0	1	207.281	0.948	20	30		BCEDMN
CO[C@H](CNC[C@H](C)C#N)[C@H]1CCOC1	ZINC000602608930	349632738	/nfs/dbraw/zinc/63/27/38/349632738.db2.gz	ZUNFFLUDOVYPED-OUAUKWLOSA-N	0	1	212.293	0.787	20	30		BCEDMN
Cn1cncc1C(=O)NC1(C#N)CCN(C)CC1	ZINC000234346410	342921475	/nfs/dbraw/zinc/92/14/75/342921475.db2.gz	ALODZPXEFQJEAS-UHFFFAOYSA-N	0	1	247.302	0.138	20	30		BCEDMN
CO[C@]1(CNCC2(C#N)CC2)CCOC1	ZINC000602643595	349656090	/nfs/dbraw/zinc/65/60/90/349656090.db2.gz	RFCNVEYVKGEZBF-NSHDSACASA-N	0	1	210.277	0.685	20	30		BCEDMN
N#Cc1cccc(CNCCN2CCCC2=O)n1	ZINC000602714221	349705622	/nfs/dbraw/zinc/70/56/22/349705622.db2.gz	XHPAHKRGXBLJAU-UHFFFAOYSA-N	0	1	244.298	0.665	20	30		BCEDMN
N#CCCN1CCN(Cc2cc[nH]c(=O)c2)CC1	ZINC000602800645	349740393	/nfs/dbraw/zinc/74/03/93/349740393.db2.gz	SWAIEPAZKPVONC-UHFFFAOYSA-N	0	1	246.314	0.818	20	30		BCEDMN
CN(Cc1nnc[nH]1)CC1(CC#N)CC1	ZINC000602778267	349744664	/nfs/dbraw/zinc/74/46/64/349744664.db2.gz	HJDULIITXIHQRT-UHFFFAOYSA-N	0	1	205.265	0.930	20	30		BCEDMN
C=CCCCN1CCN(c2nccnn2)CC1	ZINC000625637994	344023216	/nfs/dbraw/zinc/02/32/16/344023216.db2.gz	FUDXJXQJYJFMTF-UHFFFAOYSA-N	0	1	233.319	0.960	20	30		BCEDMN
C[N@@H+](CC(C)(CO)CO)CC1(CC#N)CC1	ZINC000602786969	349750650	/nfs/dbraw/zinc/75/06/50/349750650.db2.gz	YFMIXOPEZLYITI-UHFFFAOYSA-N	0	1	226.320	0.603	20	30		BCEDMN
N#CCC1(CN2CCN3CCOC[C@H]3C2)CC1	ZINC000602811795	349755816	/nfs/dbraw/zinc/75/58/16/349755816.db2.gz	YGSRMCIFFIECJW-GFCCVEGCSA-N	0	1	235.331	0.697	20	30		BCEDMN
N#CCC1(CN2CCc3n[nH]nc3C2)CC1	ZINC000602816052	349757594	/nfs/dbraw/zinc/75/75/94/349757594.db2.gz	NTQJYMATFOLUEC-UHFFFAOYSA-N	0	1	217.276	0.857	20	30		BCEDMN
C=CCNC(=O)CNCc1cncc(OC)c1C	ZINC000631109497	343037288	/nfs/dbraw/zinc/03/72/88/343037288.db2.gz	RTIMTKMKHIFFRZ-UHFFFAOYSA-N	0	1	249.314	0.790	20	30		BCEDMN
C=C(C)[C@@H](CO)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856350	349789198	/nfs/dbraw/zinc/78/91/98/349789198.db2.gz	ZIFYUKRFVINEFE-FRRDWIJNSA-N	0	1	237.347	0.842	20	30		BCEDMN
C[C@@H]1CN(CCn2cccn2)C[C@@H](C)N1CC#N	ZINC000602850707	349785837	/nfs/dbraw/zinc/78/58/37/349785837.db2.gz	RRLRBIXBEDYHHU-CHWSQXEVSA-N	0	1	247.346	0.801	20	30		BCEDMN
C=CCN1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000352542923	136264194	/nfs/dbraw/zinc/26/41/94/136264194.db2.gz	ABDDIQAQXJSDOG-LLVKDONJSA-N	0	1	246.376	0.776	20	30		BCEDMN
CCOCCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602852231	349786404	/nfs/dbraw/zinc/78/64/04/349786404.db2.gz	ABYCXBQGMKDHHA-VXGBXAGGSA-N	0	1	225.336	0.941	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000352538965	136264272	/nfs/dbraw/zinc/26/42/72/136264272.db2.gz	RJUQXUKUBYTQKB-SSDOTTSWSA-N	0	1	244.320	0.670	20	30		BCEDMN
N#CC1CCN(CCN2CCCC2=O)CC1	ZINC000355947142	136266167	/nfs/dbraw/zinc/26/61/67/136266167.db2.gz	OHLQXSPFUCHQJM-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
N#Cc1cnc(NCc2c[nH]nn2)cn1	ZINC000308854962	346926158	/nfs/dbraw/zinc/92/61/58/346926158.db2.gz	LYPWOSHZMVWBNU-UHFFFAOYSA-N	0	1	201.193	0.078	20	30		BCEDMN
CCC[C@H](NC(=O)CCCC#N)c1nn[nH]n1	ZINC000362949349	136269038	/nfs/dbraw/zinc/26/90/38/136269038.db2.gz	NVTORZUHGITSKU-QMMMGPOBSA-N	0	1	236.279	0.851	20	30		BCEDMN
C[C@@H]1CC[N@@H+](CCOCCC#N)C[C@@H]1O	ZINC000339063354	136271124	/nfs/dbraw/zinc/27/11/24/136271124.db2.gz	VQQBSDJNODGFFM-MNOVXSKESA-N	0	1	212.293	0.619	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)OC[C@@H]2C1	ZINC000366300293	136280633	/nfs/dbraw/zinc/28/06/33/136280633.db2.gz	YSBSQYFOXOTVJK-QWRGUYRKSA-N	0	1	240.303	0.450	20	30		BCEDMN
CCOC(=O)COCCN[C@@H](C)CC#N	ZINC000602871672	349803850	/nfs/dbraw/zinc/80/38/50/349803850.db2.gz	UAAPONCEXOKLCF-VIFPVBQESA-N	0	1	214.265	0.458	20	30		BCEDMN
C[C@@H](CC#N)NC[C@H]1CCc2ncnn21	ZINC000602871839	349803244	/nfs/dbraw/zinc/80/32/44/349803244.db2.gz	YBPSJDRRGQHPRD-DTWKUNHWSA-N	0	1	205.265	0.657	20	30		BCEDMN
N#CC1CCC(CNC(=O)c2cnn[nH]2)CC1	ZINC000282436644	136286386	/nfs/dbraw/zinc/28/63/86/136286386.db2.gz	UGSJPESWVXDXKV-UHFFFAOYSA-N	0	1	233.275	0.864	20	30		BCEDMN
COC(=O)c1cnoc1CON=C(N)C(C)C	ZINC000285000186	136287426	/nfs/dbraw/zinc/28/74/26/136287426.db2.gz	CREVUYIGTIMHCT-UHFFFAOYSA-N	0	1	241.247	0.906	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc([C@@H](C)NC)nn1	ZINC000641083421	362203677	/nfs/dbraw/zinc/20/36/77/362203677.db2.gz	BLKULAMLFZWLPL-PSASIEDQSA-N	0	1	210.281	0.668	20	30		BCEDMN
N#CCC1(O)CN(C(=O)[C@@H]2CCCN2C2CC2)C1	ZINC000329314737	136364990	/nfs/dbraw/zinc/36/49/90/136364990.db2.gz	CMHIIXVUNUQQEK-NSHDSACASA-N	0	1	249.314	0.100	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn(CCOC)c1	ZINC000289854986	136375537	/nfs/dbraw/zinc/37/55/37/136375537.db2.gz	OEQSYQKBPCRFPH-LLVKDONJSA-N	0	1	225.292	0.166	20	30		BCEDMN
Cc1cc(CNC(=O)c2cc(C#N)ccn2)n[nH]1	ZINC000588365299	343473516	/nfs/dbraw/zinc/47/35/16/343473516.db2.gz	QBALBPQABGVNFB-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1CC1(C#N)CC1	ZINC000602899699	349815258	/nfs/dbraw/zinc/81/52/58/349815258.db2.gz	RCEPWHBYPCSLHS-UWVGGRQHSA-N	0	1	210.277	0.108	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(C#N)cn1	ZINC000602900379	349815974	/nfs/dbraw/zinc/81/59/74/349815974.db2.gz	UMFKWYKSELDCBH-CHWSQXEVSA-N	0	1	247.298	0.271	20	30		BCEDMN
C=CCN1CCN(CC=C)[C@H](CCO)C1	ZINC000570269804	323054745	/nfs/dbraw/zinc/05/47/45/323054745.db2.gz	DWIABLLAEAAIRM-GFCCVEGCSA-N	0	1	210.321	0.727	20	30		BCEDMN
COC[C@@](C)(CO)NCc1ccnc(C#N)c1	ZINC000602932600	349823395	/nfs/dbraw/zinc/82/33/95/349823395.db2.gz	QIYJUGQWYDTLMA-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
C[C@H](C#N)CN(C)S(=O)(=O)c1ncc[nH]1	ZINC000380081276	343677715	/nfs/dbraw/zinc/67/77/15/343677715.db2.gz	GLJNBXLFFAOHQW-SSDOTTSWSA-N	0	1	228.277	0.190	20	30		BCEDMN
C#CCN[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000035046484	166192642	/nfs/dbraw/zinc/19/26/42/166192642.db2.gz	WUEQWEHIUFVSSQ-SECBINFHSA-N	0	1	238.312	0.618	20	30		BCEDMN
COC[C@@H](O)CN(C)[C@H]1CCC[C@@H]1C#N	ZINC000602980292	349844889	/nfs/dbraw/zinc/84/48/89/349844889.db2.gz	OGERUGOISBODGK-VWYCJHECSA-N	0	1	212.293	0.618	20	30		BCEDMN
C[C@H]1C[C@@H](O)CN1Cc1ccc(C#N)cn1	ZINC000576644393	343755572	/nfs/dbraw/zinc/75/55/72/343755572.db2.gz	DJQBWDOSRCUCII-JOYOIKCWSA-N	0	1	217.272	0.908	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@H](C)N1CC#N	ZINC000603100711	349869831	/nfs/dbraw/zinc/86/98/31/349869831.db2.gz	QQCXHBRKSNQWRE-AOOOYVTPSA-N	0	1	247.302	0.468	20	30		BCEDMN
CNC(=O)CCN(C)[C@H]1CCC[C@@H]1C#N	ZINC000234367061	343954395	/nfs/dbraw/zinc/95/43/95/343954395.db2.gz	KLYZEICXROGIPT-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCN1C[C@@H](NCc2cccc(C#N)n2)CC1=O	ZINC000602686039	343961918	/nfs/dbraw/zinc/96/19/18/343961918.db2.gz	VGEPRVWICNLIBN-LBPRGKRZSA-N	0	1	244.298	0.664	20	30		BCEDMN
C#CCSCCNC(=O)CN(CC)C1CC1	ZINC000152883708	166201940	/nfs/dbraw/zinc/20/19/40/166201940.db2.gz	XGMMCRFFWVWRQU-UHFFFAOYSA-N	0	1	240.372	0.953	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)[C@H]1CCCCN(C)C1=O	ZINC000634743344	344161795	/nfs/dbraw/zinc/16/17/95/344161795.db2.gz	QTXIGZVNWWGRRN-NWDGAFQWSA-N	0	1	240.347	0.866	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)c1cc(C#N)c[nH]1	ZINC000588848630	344195661	/nfs/dbraw/zinc/19/56/61/344195661.db2.gz	ANVGOEXHOOLXHM-UHFFFAOYSA-N	0	1	247.214	0.247	20	30		BCEDMN
C[C@@H](CC#N)NCCn1cc([N+](=O)[O-])cn1	ZINC000381188346	344483614	/nfs/dbraw/zinc/48/36/14/344483614.db2.gz	YFEJLTAGTGUAPE-QMMMGPOBSA-N	0	1	223.236	0.683	20	30		BCEDMN
N#Cc1ccc(OCCNC2(C(N)=O)CC2)cc1	ZINC000152427303	344560074	/nfs/dbraw/zinc/56/00/74/344560074.db2.gz	LVIHWISKIBSCTH-UHFFFAOYSA-N	0	1	245.282	0.545	20	30		BCEDMN
CN(C)c1ccc(C(N)=NOCCO)cc1	ZINC000111997709	344610908	/nfs/dbraw/zinc/61/09/08/344610908.db2.gz	KNEWLBWQMCIWFW-UHFFFAOYSA-N	0	1	223.276	0.382	20	30		BCEDMN
C#CCCCN1CCN(C(=O)NCC)CC1	ZINC000113543693	344666305	/nfs/dbraw/zinc/66/63/05/344666305.db2.gz	IUOOHRYIHLXKHU-UHFFFAOYSA-N	0	1	223.320	0.747	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@H](CO)OC[C@@H]1C	ZINC000153477624	344885196	/nfs/dbraw/zinc/88/51/96/344885196.db2.gz	DUJSWDPFERMVFC-QJPTWQEYSA-N	0	1	229.320	0.395	20	30		BCEDMN
C#CCNC(=O)N1CCN(CC(C)C)CC1	ZINC000079263956	344949669	/nfs/dbraw/zinc/94/96/69/344949669.db2.gz	FEDMKDWFJLTMPM-UHFFFAOYSA-N	0	1	223.320	0.603	20	30		BCEDMN
N#CCCNCCCN1CCCCC1=O	ZINC000579463402	345004458	/nfs/dbraw/zinc/00/44/58/345004458.db2.gz	RARRGOQNCWUKIO-UHFFFAOYSA-N	0	1	209.293	0.892	20	30		BCEDMN
CC(=O)N1CC(C(=O)NCc2cnc[nH]2)C1	ZINC000328684688	537887230	/nfs/dbraw/zinc/88/72/30/537887230.db2.gz	WYBBMVSPEMWVFT-UHFFFAOYSA-N	0	1	222.248	0.345	20	30		BCEDMN
N#CCC(=O)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000408316485	345135660	/nfs/dbraw/zinc/13/56/60/345135660.db2.gz	BWNQOOAOAJSQPG-NSHDSACASA-N	0	1	237.303	0.081	20	30		BCEDMN
C#C[C@H](C)NC(=O)CCSc1nnc(C)[nH]1	ZINC000274769952	166214037	/nfs/dbraw/zinc/21/40/37/166214037.db2.gz	RJNBYAVCJLJBHM-ZETCQYMHSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#CCOc1ccccc1CN1C[C@@H](O)[C@@H](O)C1	ZINC000093483780	345673989	/nfs/dbraw/zinc/67/39/89/345673989.db2.gz	QGDWNCSTLFETOQ-BETUJISGSA-N	0	1	247.294	0.236	20	30		BCEDMN
C#C[C@H](C)NCc1ccc(C(=O)N(C)C)[nH]1	ZINC000289336316	166216649	/nfs/dbraw/zinc/21/66/49/166216649.db2.gz	HGWIHPGIVNBPKN-VIFPVBQESA-N	0	1	219.288	0.828	20	30		BCEDMN
C[C@H]1CSCCN(CC(=O)NCC#N)C1	ZINC000190428551	345977510	/nfs/dbraw/zinc/97/75/10/345977510.db2.gz	SSRUYGFZCZVFPR-SECBINFHSA-N	0	1	227.333	0.311	20	30		BCEDMN
C=CCSCCNC(=O)CCc1c[nH]nn1	ZINC000601019913	345995678	/nfs/dbraw/zinc/99/56/78/345995678.db2.gz	QIWQNKIIZNSZOO-UHFFFAOYSA-N	0	1	240.332	0.773	20	30		BCEDMN
C=CCSCCNC(=O)CCc1cnn[nH]1	ZINC000601019913	345995680	/nfs/dbraw/zinc/99/56/80/345995680.db2.gz	QIWQNKIIZNSZOO-UHFFFAOYSA-N	0	1	240.332	0.773	20	30		BCEDMN
C=CCSCCNC(=O)Cc1nnc[nH]1	ZINC000601019980	345994971	/nfs/dbraw/zinc/99/49/71/345994971.db2.gz	RFAPIEZPSOQERF-UHFFFAOYSA-N	0	1	226.305	0.383	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601031397	346002111	/nfs/dbraw/zinc/00/21/11/346002111.db2.gz	MFIQNZAMNQZDKC-QMMMGPOBSA-N	0	1	221.264	0.402	20	30		BCEDMN
C=CCCCCNC(=O)CCCc1nn[nH]n1	ZINC000635810850	346073859	/nfs/dbraw/zinc/07/38/59/346073859.db2.gz	KHGDGLZUPTZTOQ-UHFFFAOYSA-N	0	1	237.307	0.995	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000635798247	346066643	/nfs/dbraw/zinc/06/66/43/346066643.db2.gz	XZVWYWGDRQSSOT-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)c1cccc(C#N)c1	ZINC000054369857	346198459	/nfs/dbraw/zinc/19/84/59/346198459.db2.gz	UPJNORNEUJADHF-JTQLQIEISA-N	0	1	229.283	0.992	20	30		BCEDMN
C=CCn1cc(CNC(=O)[C@@H](C)N(C)C)nn1	ZINC000636056484	346303616	/nfs/dbraw/zinc/30/36/16/346303616.db2.gz	PDIFHNMEVUZZAF-SECBINFHSA-N	0	1	237.307	0.030	20	30		BCEDMN
C=CCOCC(=O)N(C)Cc1cn[nH]c1C	ZINC000636076733	346312933	/nfs/dbraw/zinc/31/29/33/346312933.db2.gz	HJTIXNOMXQHRQV-UHFFFAOYSA-N	0	1	223.276	0.879	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccnn1C	ZINC000641768722	362706723	/nfs/dbraw/zinc/70/67/23/362706723.db2.gz	GPMOISYASGODOU-SNVBAGLBSA-N	0	1	207.277	0.284	20	30		BCEDMN
CC#CCN(C)C(=O)[C@H](C)N1CC(C)C1	ZINC000563399501	323122901	/nfs/dbraw/zinc/12/29/01/323122901.db2.gz	YNUCFPZCLFISKH-NSHDSACASA-N	0	1	208.305	0.808	20	30		BCEDMN
CNC(=O)CCN(C)[C@@H]1CCC[C@H]1C#N	ZINC000300246477	346422946	/nfs/dbraw/zinc/42/29/46/346422946.db2.gz	KLYZEICXROGIPT-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=C(C)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1	ZINC000626168093	346536554	/nfs/dbraw/zinc/53/65/54/346536554.db2.gz	KCFQMIFONMJMLD-LLVKDONJSA-N	0	1	246.376	0.824	20	30		BCEDMN
CCN1CCN(c2cncc(C#N)n2)C[C@@H]1C	ZINC000401318428	346577684	/nfs/dbraw/zinc/57/76/84/346577684.db2.gz	FFMYYDGDMHWLDE-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H]2CCC[C@H]21	ZINC000491122082	346587587	/nfs/dbraw/zinc/58/75/87/346587587.db2.gz	SXWNFICGSMOFTP-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
Cc1nc(CCNc2cncc(C#N)n2)n[nH]1	ZINC000401335517	346605493	/nfs/dbraw/zinc/60/54/93/346605493.db2.gz	RJHCDNSNYHZIMX-UHFFFAOYSA-N	0	1	229.247	0.429	20	30		BCEDMN
Cc1nnc(CCNc2cncc(C#N)n2)[nH]1	ZINC000401335517	346605497	/nfs/dbraw/zinc/60/54/97/346605497.db2.gz	RJHCDNSNYHZIMX-UHFFFAOYSA-N	0	1	229.247	0.429	20	30		BCEDMN
Cc1nc(CN2CC[C@](F)(C#N)C2)n[nH]1	ZINC000589991895	346760586	/nfs/dbraw/zinc/76/05/86/346760586.db2.gz	CDUHOASDGXEBPQ-VIFPVBQESA-N	0	1	209.228	0.551	20	30		BCEDMN
N#Cc1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)ccn1	ZINC000590005355	346762214	/nfs/dbraw/zinc/76/22/14/346762214.db2.gz	AQSMFSSOBZLMNR-ITGUQSILSA-N	0	1	229.283	0.623	20	30		BCEDMN
C[C@H]1CC(=O)NCCN1CCOCCC#N	ZINC000590169358	346787326	/nfs/dbraw/zinc/78/73/26/346787326.db2.gz	XPQMHXJPEXJZAU-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN(CC)C1CC1	ZINC000185729083	347211484	/nfs/dbraw/zinc/21/14/84/347211484.db2.gz	FSHDYECHWIMAHV-SNVBAGLBSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCNC(=O)[C@@H]1Cc2ccccc2CN1	ZINC000019480799	347229878	/nfs/dbraw/zinc/22/98/78/347229878.db2.gz	PHIVZEMOONPISV-LBPRGKRZSA-N	0	1	214.268	0.450	20	30		BCEDMN
C[N@@H+](C[C@H](O)CN1CCC(C#N)CC1)C1CC1	ZINC000310504335	347290674	/nfs/dbraw/zinc/29/06/74/347290674.db2.gz	NNJUGHYFAZYSTC-ZDUSSCGKSA-N	0	1	237.347	0.677	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)Cc1ncn[nH]1)C1CC1	ZINC000601367917	347271447	/nfs/dbraw/zinc/27/14/47/347271447.db2.gz	FDQZIBMTKXISGP-MRVPVSSYSA-N	0	1	233.275	0.498	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)CCc1c[nH]nn1	ZINC000601444932	347363780	/nfs/dbraw/zinc/36/37/80/347363780.db2.gz	LHXFYTDYVVYLAT-QMMMGPOBSA-N	0	1	221.264	0.546	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)CCc1cnn[nH]1	ZINC000601444932	347363784	/nfs/dbraw/zinc/36/37/84/347363784.db2.gz	LHXFYTDYVVYLAT-QMMMGPOBSA-N	0	1	221.264	0.546	20	30		BCEDMN
N#CC1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1	ZINC000590483685	347366819	/nfs/dbraw/zinc/36/68/19/347366819.db2.gz	MMSOMNZPNDDSDD-SECBINFHSA-N	0	1	230.271	0.812	20	30		BCEDMN
C=CCCOCC(=O)N(C)Cc1cnc[nH]1	ZINC000616924583	347455615	/nfs/dbraw/zinc/45/56/15/347455615.db2.gz	ONEAEAGQFGTGKX-UHFFFAOYSA-N	0	1	223.276	0.961	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@H](O)C(C)(C)C1	ZINC000380103417	365880873	/nfs/dbraw/zinc/88/08/73/365880873.db2.gz	XWPUHCGAKPWGPE-MNOVXSKESA-N	0	1	238.331	0.217	20	30		BCEDMN
C[C@H]1C[C@]1(C#N)C(=O)NCCN1CC=CCC1	ZINC000590751168	347503534	/nfs/dbraw/zinc/50/35/34/347503534.db2.gz	NXDVGHUEMHUALU-WCQYABFASA-N	0	1	233.315	0.914	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnn(CC(F)F)c1	ZINC000292584490	323150320	/nfs/dbraw/zinc/15/03/20/323150320.db2.gz	FZNUAGFFPOCASY-VIFPVBQESA-N	0	1	231.246	0.785	20	30		BCEDMN
CN(CCC#N)C[C@H](O)CNCC(C)(C)C#N	ZINC000591759329	347691935	/nfs/dbraw/zinc/69/19/35/347691935.db2.gz	HVQRCORRLDZCEO-LLVKDONJSA-N	0	1	238.335	0.332	20	30		BCEDMN
CCOCC[C@H](O)CNCC(C)(C)C#N	ZINC000591759709	347692622	/nfs/dbraw/zinc/69/26/22/347692622.db2.gz	UMLVPVGLFJPNKN-JTQLQIEISA-N	0	1	214.309	0.913	20	30		BCEDMN
COC[C@H](C)OC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759620	347692732	/nfs/dbraw/zinc/69/27/32/347692732.db2.gz	QCKNYRNOOGQVHO-QWRGUYRKSA-N	0	1	244.335	0.538	20	30		BCEDMN
N#Cc1cncnc1N1CCc2cn[nH]c2C1	ZINC000591925998	347719323	/nfs/dbraw/zinc/71/93/23/347719323.db2.gz	SNGBJJNAWUVAOW-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
CCN(C)C(=O)CC[N@H+]1CC[C@](O)(CC#N)C1	ZINC000592149623	347740817	/nfs/dbraw/zinc/74/08/17/347740817.db2.gz	SHVFFCATKLSHJG-GFCCVEGCSA-N	0	1	239.319	0.205	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H](O)CN(CCCC#N)C1	ZINC000592207041	347757305	/nfs/dbraw/zinc/75/73/05/347757305.db2.gz	OBNWOQAMMLMBAG-VHSXEESVSA-N	0	1	226.276	0.146	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H](O)CN(CCCC#N)C1	ZINC000592207039	347757973	/nfs/dbraw/zinc/75/79/73/347757973.db2.gz	OBNWOQAMMLMBAG-NXEZZACHSA-N	0	1	226.276	0.146	20	30		BCEDMN
Cc1n[nH]c(C)c1CN1CC[C@@](O)(CC#N)C1	ZINC000592524082	347795099	/nfs/dbraw/zinc/79/50/99/347795099.db2.gz	VBVZNJGBGIAJCO-LBPRGKRZSA-N	0	1	234.303	0.877	20	30		BCEDMN
C=CCCOCCNC(=O)[C@@H]1CCCN1C	ZINC000155204614	166271140	/nfs/dbraw/zinc/27/11/40/166271140.db2.gz	QULVUIHBDVCDKT-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
N#CCNC(=O)CN1CCC12CCCC2	ZINC000593039993	347843136	/nfs/dbraw/zinc/84/31/36/347843136.db2.gz	UYLVFWAWIZIFBQ-UHFFFAOYSA-N	0	1	207.277	0.645	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC000593098610	347855153	/nfs/dbraw/zinc/85/51/53/347855153.db2.gz	YEJMMSKXAWPJIR-DDIVZENXSA-N	0	1	229.345	0.519	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H]2C[C@H]1C[S@]2=O	ZINC000593098613	347855949	/nfs/dbraw/zinc/85/59/49/347855949.db2.gz	YEJMMSKXAWPJIR-USXUVBGUSA-N	0	1	229.345	0.519	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](C)CS(C)(=O)=O	ZINC000577385644	365941596	/nfs/dbraw/zinc/94/15/96/365941596.db2.gz	MKBVVMMIHPCXHV-NXEZZACHSA-N	0	1	232.349	0.949	20	30		BCEDMN
CCOC(=O)c1c[nH]c(NC(=O)[C@@H](C)C#N)n1	ZINC000593900849	347966517	/nfs/dbraw/zinc/96/65/17/347966517.db2.gz	GVNPACBIPSRXAT-LURJTMIESA-N	0	1	236.231	0.685	20	30		BCEDMN
CC(C)(C#N)CC(=O)NCCCc1nc[nH]n1	ZINC000593911028	347969922	/nfs/dbraw/zinc/96/99/22/347969922.db2.gz	MCUBOBYFUSQYFW-UHFFFAOYSA-N	0	1	235.291	0.793	20	30		BCEDMN
N#CC1(CNC(=O)c2cnn[nH]2)CCCC1	ZINC000593782639	347944306	/nfs/dbraw/zinc/94/43/06/347944306.db2.gz	OIWCCZPQAZCOQR-UHFFFAOYSA-N	0	1	219.248	0.618	20	30		BCEDMN
C=CCCOCC(=O)NCc1cc(C)[nH]n1	ZINC000603485158	349979427	/nfs/dbraw/zinc/97/94/27/349979427.db2.gz	CSYMEMJUNIGLIS-UHFFFAOYSA-N	0	1	223.276	0.927	20	30		BCEDMN
CC(C)[C@@](C)(NCc1ccc(C#N)cn1)C(N)=O	ZINC000593986438	347979605	/nfs/dbraw/zinc/97/96/05/347979605.db2.gz	BGLXRFSILNXITP-CYBMUJFWSA-N	0	1	246.314	0.943	20	30		BCEDMN
CC1(C)CCN(CC(=O)NC2(C#N)CC2)C1	ZINC000594292336	348030795	/nfs/dbraw/zinc/03/07/95/348030795.db2.gz	FLJZAAWWHITCFQ-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCCCCC(=O)NCCN1CCC1	ZINC000594325464	348033785	/nfs/dbraw/zinc/03/37/85/348033785.db2.gz	GYMWSDOQQCUCLL-UHFFFAOYSA-N	0	1	209.293	0.892	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NCC(C)(C)C#N)C1	ZINC000594342097	348036730	/nfs/dbraw/zinc/03/67/30/348036730.db2.gz	XVBQGTDGGPEMHM-JTQLQIEISA-N	0	1	223.320	0.994	20	30		BCEDMN
CCOC(=O)CC[C@@H](O)CNCC1(C#N)CC1	ZINC000591764571	490125396	/nfs/dbraw/zinc/12/53/96/490125396.db2.gz	CEKWUCSXOFCUCT-SNVBAGLBSA-N	0	1	240.303	0.584	20	30		BCEDMN
CC(C)COC[C@@H](O)CN1CC(CC#N)C1	ZINC000594716790	348106490	/nfs/dbraw/zinc/10/64/90/348106490.db2.gz	WLROOQREXBDZMC-LBPRGKRZSA-N	0	1	226.320	0.865	20	30		BCEDMN
N#Cc1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)o1	ZINC000594614787	348083283	/nfs/dbraw/zinc/08/32/83/348083283.db2.gz	ZVOQLBYEHSMBGF-WDEREUQCSA-N	0	1	247.298	0.402	20	30		BCEDMN
C=CCCS(=O)(=O)NCC1=CCN(C)CC1	ZINC000273901921	166290390	/nfs/dbraw/zinc/29/03/90/166290390.db2.gz	HWOVQBOYBFJAGS-UHFFFAOYSA-N	0	1	244.360	0.744	20	30		BCEDMN
CCN(C[C@H](C)C#N)C[C@H]1CNC(=O)C1	ZINC000595297686	348216899	/nfs/dbraw/zinc/21/68/99/348216899.db2.gz	JGENPJQCBBEZQV-NXEZZACHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@H](C#N)CN(C[C@@H]1CNC(=O)C1)C1CC1	ZINC000595390026	348243673	/nfs/dbraw/zinc/24/36/73/348243673.db2.gz	SLORVCBXWFHFSE-ZJUUUORDSA-N	0	1	221.304	0.747	20	30		BCEDMN
C[C@@H](O)C[N@@H+](CCO)CCc1ccc(C#N)cc1	ZINC000595489007	348261383	/nfs/dbraw/zinc/26/13/83/348261383.db2.gz	IZEWALAEHJUNKZ-GFCCVEGCSA-N	0	1	248.326	0.776	20	30		BCEDMN
C[N@@H+](Cc1n[n-]c(=O)o1)[C@H]1CC[C@H](C#N)C1	ZINC000595547834	348268439	/nfs/dbraw/zinc/26/84/39/348268439.db2.gz	STGMAFIERJRTBN-YUMQZZPRSA-N	0	1	222.248	0.899	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1C(=O)CN(C)C1=O	ZINC000595530512	348273347	/nfs/dbraw/zinc/27/33/47/348273347.db2.gz	RCYSPKHLBVAOJW-VIFPVBQESA-N	0	1	238.291	0.162	20	30		BCEDMN
N#CC[C@H]1CCCN(Cc2c[nH]nn2)C1	ZINC000595622444	348291384	/nfs/dbraw/zinc/29/13/84/348291384.db2.gz	ARNYVVXVALRAMB-SECBINFHSA-N	0	1	205.265	0.930	20	30		BCEDMN
C[C@H]1CCCN(CC(=O)NCC#N)[C@@H]1CCO	ZINC000595706059	348308588	/nfs/dbraw/zinc/30/85/88/348308588.db2.gz	XDSXFWOGCZDTEK-WDEREUQCSA-N	0	1	239.319	0.109	20	30		BCEDMN
C[C@H](CO)[C@H]1CCCCN1CC(=O)NCC#N	ZINC000595670778	348308952	/nfs/dbraw/zinc/30/89/52/348308952.db2.gz	CTARGEQWBUKUSF-GHMZBOCLSA-N	0	1	239.319	0.109	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000595864357	348384387	/nfs/dbraw/zinc/38/43/87/348384387.db2.gz	ZQMLAMMAUODXGD-PWSUYJOCSA-N	0	1	239.319	0.177	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(CC)C[C@@H](C)C#N	ZINC000595864335	348384544	/nfs/dbraw/zinc/38/45/44/348384544.db2.gz	YLLMIVQIMLZDFN-WDEREUQCSA-N	0	1	239.319	0.131	20	30		BCEDMN
C=CCCSCCNC(=O)[C@H]1CNCCO1	ZINC000595940652	348409660	/nfs/dbraw/zinc/40/96/60/348409660.db2.gz	STMZMNBPWVXVIT-SNVBAGLBSA-N	0	1	244.360	0.400	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)C[C@@H]2COCCN2)C1	ZINC000595982043	348417478	/nfs/dbraw/zinc/41/74/78/348417478.db2.gz	RPWDQKRXMSKVQA-PWSUYJOCSA-N	0	1	237.303	0.127	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1cc(C#N)cnn1	ZINC000596247444	348486924	/nfs/dbraw/zinc/48/69/24/348486924.db2.gz	OZDVWUYVRDBREB-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
Cn1ncc(C#N)c1N1CC[C@@H](N2CC=CC2)C1	ZINC000596140832	348449536	/nfs/dbraw/zinc/44/95/36/348449536.db2.gz	JAUMLOCGDOGSEG-GFCCVEGCSA-N	0	1	243.314	0.742	20	30		BCEDMN
CN(CC1CN(C)C1)c1ccc(C#N)nn1	ZINC000596452071	348552060	/nfs/dbraw/zinc/55/20/60/348552060.db2.gz	AUJNXFQGWHYOAA-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
C[C@@]1(C#N)CCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000596530174	348567005	/nfs/dbraw/zinc/56/70/05/348567005.db2.gz	LVTRBGYMWUDBCG-NSHDSACASA-N	0	1	244.258	0.798	20	30		BCEDMN
CC[C@H](C#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597039138	348647512	/nfs/dbraw/zinc/64/75/12/348647512.db2.gz	JDHZVQKMMQNSCF-HTQZYQBOSA-N	0	1	233.275	0.643	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)Cc1cc(C)n[nH]1	ZINC000273446502	187399754	/nfs/dbraw/zinc/39/97/54/187399754.db2.gz	FCWXTVSDNWVPCK-VIFPVBQESA-N	0	1	223.276	0.314	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000596967039	348635754	/nfs/dbraw/zinc/63/57/54/348635754.db2.gz	BRDPLUVFXAVHFP-BQBZGAKWSA-N	0	1	219.248	0.253	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000596994904	348640028	/nfs/dbraw/zinc/64/00/28/348640028.db2.gz	KIHQBPWQEVNZLP-DTWKUNHWSA-N	0	1	232.287	0.933	20	30		BCEDMN
Cc1nc(CC(=O)NCC(C)(C)C#N)n[nH]1	ZINC000597490572	348749634	/nfs/dbraw/zinc/74/96/34/348749634.db2.gz	WWEFJHWWNMOXGR-UHFFFAOYSA-N	0	1	221.264	0.322	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)CCCC#N)C2	ZINC000597567005	348761063	/nfs/dbraw/zinc/76/10/63/348761063.db2.gz	AANUWTXNPRKCSH-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)c1ccc(C#N)[nH]1)C2	ZINC000597570745	348761657	/nfs/dbraw/zinc/76/16/57/348761657.db2.gz	CBDHPIFKGNBNSS-UHFFFAOYSA-N	0	1	244.298	0.664	20	30		BCEDMN
CCc1cc(C(=O)N2CC(CC#N)C2)n[nH]1	ZINC000598036676	348872570	/nfs/dbraw/zinc/87/25/70/348872570.db2.gz	NPLZDZPFHIPDDM-UHFFFAOYSA-N	0	1	218.260	0.958	20	30		BCEDMN
COC(=O)C12CC(C1)CN2C(=O)C(C)C#N	ZINC000598057169	348875348	/nfs/dbraw/zinc/87/53/48/348875348.db2.gz	OXXRZCGFBVUCNL-JYPKXMCJSA-N	0	1	222.244	0.310	20	30		BCEDMN
COC(=O)[C@](C)(CCF)NC(=O)C(C)C#N	ZINC000598283276	348922398	/nfs/dbraw/zinc/92/23/98/348922398.db2.gz	LEQCONOTFTXCAC-XCBNKYQSSA-N	0	1	230.239	0.554	20	30		BCEDMN
CN(C)C1(C(=O)N2CC[C@](C)(C#N)C2)CC1	ZINC000598420562	348958115	/nfs/dbraw/zinc/95/81/15/348958115.db2.gz	UOHZTSVKSDHNOD-LLVKDONJSA-N	0	1	221.304	0.843	20	30		BCEDMN
CCN(CC(N)=O)C[C@H](O)CC(C)(C)C#N	ZINC000598615856	349001183	/nfs/dbraw/zinc/00/11/83/349001183.db2.gz	LTFLASXENDXPFE-SECBINFHSA-N	0	1	227.308	0.094	20	30		BCEDMN
CNS(=O)(=O)CCN1CCC(CC#N)CC1	ZINC000598603788	349005924	/nfs/dbraw/zinc/00/59/24/349005924.db2.gz	KCIGHABWBXCOSM-UHFFFAOYSA-N	0	1	245.348	0.161	20	30		BCEDMN
C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]1O	ZINC000598606436	349007228	/nfs/dbraw/zinc/00/72/28/349007228.db2.gz	KDKNKFRPIDZHSQ-WOPDTQHZSA-N	0	1	240.347	0.990	20	30		BCEDMN
CC[C@H](C#N)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000598745726	349036710	/nfs/dbraw/zinc/03/67/10/349036710.db2.gz	OSBWDZSXIGIMHS-ZCFIWIBFSA-N	0	1	224.220	0.283	20	30		BCEDMN
Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1C#N	ZINC000599339723	349151849	/nfs/dbraw/zinc/15/18/49/349151849.db2.gz	RTPDXIQRNUVZAC-KBPBESRZSA-N	0	1	246.310	0.794	20	30		BCEDMN
N#CC1(C[C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000599303347	349142407	/nfs/dbraw/zinc/14/24/07/349142407.db2.gz	BJFHWXQEAJUZAZ-UTUOFQBUSA-N	0	1	236.315	0.904	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C23CC(C2)C3)CC1	ZINC000599379327	349162945	/nfs/dbraw/zinc/16/29/45/349162945.db2.gz	GXGSWWQMYQVBGD-UHFFFAOYSA-N	0	1	233.315	0.891	20	30		BCEDMN
C[C@H]1C[C@H]1CN1CCN(C(=O)CC#N)CC1	ZINC000599434269	349173976	/nfs/dbraw/zinc/17/39/76/349173976.db2.gz	WPPMIFMJRLWSRU-QWRGUYRKSA-N	0	1	221.304	0.700	20	30		BCEDMN
COC(=O)[C@]1(OC)CCN(CCCC#N)C1	ZINC000599558838	349217512	/nfs/dbraw/zinc/21/75/12/349217512.db2.gz	OKYJFNVRXYRIGH-NSHDSACASA-N	0	1	226.276	0.554	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCc3nc[nH]c3C2)[nH]1	ZINC000599951196	349273930	/nfs/dbraw/zinc/27/39/30/349273930.db2.gz	BILWLPYGTFBJPV-UHFFFAOYSA-N	0	1	241.254	0.808	20	30		BCEDMN
CN(C(=O)CCc1nn[nH]n1)[C@H]1CCC[C@H]1C#N	ZINC000601802593	349340469	/nfs/dbraw/zinc/34/04/69/349340469.db2.gz	VCFKAZVVEFUSEN-IUCAKERBSA-N	0	1	248.290	0.283	20	30		BCEDMN
CCN(C(=O)Cc1ncn[nH]1)[C@H](C)C#N	ZINC000601671285	349318979	/nfs/dbraw/zinc/31/89/79/349318979.db2.gz	RXVFDQAXPHNCNC-SSDOTTSWSA-N	0	1	207.237	0.108	20	30		BCEDMN
C[C@H](C#N)N(C(=O)CCc1nn[nH]n1)C1CC1	ZINC000601667930	349322144	/nfs/dbraw/zinc/32/21/44/349322144.db2.gz	YRXTZQAGVCASAP-SSDOTTSWSA-N	0	1	234.263	0.035	20	30		BCEDMN
COCCc1cc(=O)n([C@H](C)CC#N)[nH]1	ZINC000601935026	349388818	/nfs/dbraw/zinc/38/88/18/349388818.db2.gz	GOVZKNKKBNMYAF-MRVPVSSYSA-N	0	1	209.249	0.913	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n([C@H](C)CC#N)c1=O	ZINC000601935627	349389880	/nfs/dbraw/zinc/38/98/80/349389880.db2.gz	LEKHNNHZVHRTQT-VXNVDRBHSA-N	0	1	237.259	0.686	20	30		BCEDMN
C[C@H](C#N)Cn1[nH]c([C@H]2CCOC2)cc1=O	ZINC000601935390	349389971	/nfs/dbraw/zinc/38/99/71/349389971.db2.gz	TVPNNZTZJDBNNN-BDAKNGLRSA-N	0	1	221.260	0.771	20	30		BCEDMN
C=C(C)Cn1[nH]c(C)c(CC(=O)OC)c1=O	ZINC000601941392	349392369	/nfs/dbraw/zinc/39/23/69/349392369.db2.gz	VTGNRDQPWFXVOF-VIFPVBQESA-N	0	1	224.260	0.960	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(C[C@@H](C)C#N)c1=O	ZINC000601934595	349388183	/nfs/dbraw/zinc/38/81/83/349388183.db2.gz	LGGLDCOXLLQLPF-CBAPKCEASA-N	0	1	237.259	0.543	20	30		BCEDMN
C[C@@H](C#N)NC(=O)C(C)(C)CN1CCOCC1	ZINC000602083537	349431880	/nfs/dbraw/zinc/43/18/80/349431880.db2.gz	CZZMEJAFBUQOSH-JTQLQIEISA-N	0	1	239.319	0.373	20	30		BCEDMN
C=CCOCCCNC(=O)[C@@H]1CCCN1C	ZINC000618523968	350128718	/nfs/dbraw/zinc/12/87/18/350128718.db2.gz	XYTYQEUAUGPURJ-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CC1(C#N)CCN(C[C@@H]2CCC(=O)N2)CC1	ZINC000303548732	350123675	/nfs/dbraw/zinc/12/36/75/350123675.db2.gz	BKUIMBXABKIMKK-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCCN(C)[C@@H]1CCS(=O)(=O)C1	ZINC000132367978	191030192	/nfs/dbraw/zinc/03/01/92/191030192.db2.gz	HAOVZJBJLXFWEU-SECBINFHSA-N	0	1	203.307	0.681	20	30		BCEDMN
C[C@H](Nc1ccnc(C#N)n1)c1nnc[nH]1	ZINC000309382170	350361172	/nfs/dbraw/zinc/36/11/72/350361172.db2.gz	RBKITXQXRKEGRW-LURJTMIESA-N	0	1	215.220	0.639	20	30		BCEDMN
C=C(C)CN1CCC[C@H]1CS(=O)(=O)NC	ZINC000336653302	350420752	/nfs/dbraw/zinc/42/07/52/350420752.db2.gz	XXHFDUUDLRPPPB-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CCCN(C)CCS(=O)(=O)N(C)C	ZINC000336693125	350449019	/nfs/dbraw/zinc/44/90/19/350449019.db2.gz	QWPCTLVHYSDVDO-UHFFFAOYSA-N	0	1	220.338	0.386	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)C[C@H]1CC	ZINC000563994828	323342069	/nfs/dbraw/zinc/34/20/69/323342069.db2.gz	SQTZCNVQAHVUAP-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
N#CCC(=O)N1CCN2CCCC[C@H]2C1	ZINC000094439844	350482964	/nfs/dbraw/zinc/48/29/64/350482964.db2.gz	JZJIXUDPHBCZCH-JTQLQIEISA-N	0	1	207.277	0.597	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000337043819	350547973	/nfs/dbraw/zinc/54/79/73/350547973.db2.gz	DFWLDGVHWRWBJG-JQWIXIFHSA-N	0	1	238.331	0.666	20	30		BCEDMN
C=CCCN1CCN(CC(=O)N(C)C)CC1	ZINC000606896275	350621567	/nfs/dbraw/zinc/62/15/67/350621567.db2.gz	CCJVWVZAETXUMY-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C#CCN[C@H](C(N)=O)[C@H](C)c1ccccc1	ZINC000292380969	350958835	/nfs/dbraw/zinc/95/88/35/350958835.db2.gz	ZEKRTAKJNXCYCP-PWSUYJOCSA-N	0	1	216.284	0.867	20	30		BCEDMN
C[C@@H](NCc1ccc(C#N)o1)[C@H]1CN(C)CCO1	ZINC000129102874	350986700	/nfs/dbraw/zinc/98/67/00/350986700.db2.gz	SKGYOXUORBLTKT-ZWNOBZJWSA-N	0	1	249.314	0.960	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)Cc1ccn[nH]1	ZINC000344283041	351025026	/nfs/dbraw/zinc/02/50/26/351025026.db2.gz	WQJZUHGOZDSYRG-MRVPVSSYSA-N	0	1	206.249	0.570	20	30		BCEDMN
CC1CC(C#N)(C(=O)NCc2cnc[nH]2)C1	ZINC000122382797	363002153	/nfs/dbraw/zinc/00/21/53/363002153.db2.gz	GECSOYQIFVASLO-UHFFFAOYSA-N	0	1	218.260	0.966	20	30		BCEDMN
CC(=O)NCCCNCc1nc(C#N)cs1	ZINC000336645284	187475816	/nfs/dbraw/zinc/47/58/16/187475816.db2.gz	APCHJXZFMXJKAA-UHFFFAOYSA-N	0	1	238.316	0.631	20	30		BCEDMN
CC1CC(C#N)(C(=O)NCc2c[nH]nn2)C1	ZINC000398400444	351137220	/nfs/dbraw/zinc/13/72/20/351137220.db2.gz	NINCVXYPUOOLNN-UHFFFAOYSA-N	0	1	219.248	0.361	20	30		BCEDMN
C[N@H+]1CC[C@]2(CCN(c3ncncc3C#N)C2)C1	ZINC000386697489	363030264	/nfs/dbraw/zinc/03/02/64/363030264.db2.gz	PEIZVCLMXIMRDE-ZDUSSCGKSA-N	0	1	243.314	0.880	20	30		BCEDMN
N#CCCCN[C@H](Cc1ccccc1)C(N)=O	ZINC000273384955	351526118	/nfs/dbraw/zinc/52/61/18/351526118.db2.gz	GSVGXYAGGJITEQ-GFCCVEGCSA-N	0	1	231.299	0.976	20	30		BCEDMN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cn[nH]c1	ZINC000274142255	351561277	/nfs/dbraw/zinc/56/12/77/351561277.db2.gz	XKVBBMBSICFJNS-ZJUUUORDSA-N	0	1	249.318	0.821	20	30		BCEDMN
C=C(C)CN(CC)Cc1cnc(N)nc1N	ZINC000637837680	351691996	/nfs/dbraw/zinc/69/19/96/351691996.db2.gz	KWILWAKTMIQIJX-UHFFFAOYSA-N	0	1	221.308	0.700	20	30		BCEDMN
N#CCOc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1	ZINC000278777999	351783073	/nfs/dbraw/zinc/78/30/73/351783073.db2.gz	NKEMEIINFUBVEF-CHWSQXEVSA-N	0	1	248.282	0.126	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)N(CC)CC#N	ZINC000340049733	351841105	/nfs/dbraw/zinc/84/11/05/351841105.db2.gz	XGUXXIDANXFPPG-UHFFFAOYSA-N	0	1	247.364	0.503	20	30		BCEDMN
C=CCN1CC[C@@H](Sc2c[nH]nn2)C1=O	ZINC000280932586	351866169	/nfs/dbraw/zinc/86/61/69/351866169.db2.gz	HLASDIZZXHTRCU-SSDOTTSWSA-N	0	1	224.289	0.684	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCn2cccn2)C1=O	ZINC000282086941	351922360	/nfs/dbraw/zinc/92/23/60/351922360.db2.gz	UZOXPEWIRALJGH-LBPRGKRZSA-N	0	1	248.330	0.602	20	30		BCEDMN
CO/N=C/C(=O)Nc1cc(CN(C)C)ccn1	ZINC000283833421	351985094	/nfs/dbraw/zinc/98/50/94/351985094.db2.gz	ZUOYUTYHRGLYRY-NTUHNPAUSA-N	0	1	236.275	0.714	20	30		BCEDMN
CO/N=C/C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000289503345	352188498	/nfs/dbraw/zinc/18/84/98/352188498.db2.gz	TXDPIEMHLUXBGR-IGCGCMMHSA-N	0	1	239.279	0.738	20	30		BCEDMN
CO/N=C/C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1	ZINC000289503342	352188804	/nfs/dbraw/zinc/18/88/04/352188804.db2.gz	TXDPIEMHLUXBGR-AUEGDVLESA-N	0	1	239.279	0.738	20	30		BCEDMN
CON=CC(=O)N[C@@H](c1ncc[nH]1)C(C)C	ZINC000290057032	352208357	/nfs/dbraw/zinc/20/83/57/352208357.db2.gz	DZZVJXHMXXUMLN-UWZPUTRXSA-N	0	1	224.264	0.855	20	30		BCEDMN
C=C(CC)CNC(=O)NC[C@@H]1COCCN1	ZINC000627056599	363174752	/nfs/dbraw/zinc/17/47/52/363174752.db2.gz	XUGNEEWHPOGSMR-SNVBAGLBSA-N	0	1	227.308	0.240	20	30		BCEDMN
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C=CC[C@@H](CO)CNCc1ncnn1CC	ZINC000638830617	353009519	/nfs/dbraw/zinc/00/95/19/353009519.db2.gz	QUBJPHIVCWUCTP-SNVBAGLBSA-N	0	1	224.308	0.572	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](O)C1	ZINC000052875820	353124636	/nfs/dbraw/zinc/12/46/36/353124636.db2.gz	RAGIHTXFWOWLJB-QWRGUYRKSA-N	0	1	239.319	0.204	20	30		BCEDMN
C#CCN1CCC(C(=O)NCC(=O)CC)CC1	ZINC000274583052	188092479	/nfs/dbraw/zinc/09/24/79/188092479.db2.gz	ZDBCHPHDIAPVAV-UHFFFAOYSA-N	0	1	236.315	0.427	20	30		BCEDMN
C#C[C@@H](C)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000274776259	188092722	/nfs/dbraw/zinc/09/27/22/188092722.db2.gz	KPLKNMSIOWADRV-PWSUYJOCSA-N	0	1	216.284	0.694	20	30		BCEDMN
C=CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC000278390273	188095191	/nfs/dbraw/zinc/09/51/91/188095191.db2.gz	MWKGZOZEONFCNH-OKILXGFUSA-N	0	1	249.310	0.789	20	30		BCEDMN
C=CCOc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1	ZINC000278390273	188095192	/nfs/dbraw/zinc/09/51/92/188095192.db2.gz	MWKGZOZEONFCNH-OKILXGFUSA-N	0	1	249.310	0.789	20	30		BCEDMN
CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1	ZINC000330852871	353194611	/nfs/dbraw/zinc/19/46/11/353194611.db2.gz	RCVQDRLCMXANDC-JTQLQIEISA-N	0	1	239.319	0.935	20	30		BCEDMN
C[C@H](Cn1cncn1)NC(=O)NCCCC#N	ZINC000330865023	353188005	/nfs/dbraw/zinc/18/80/05/353188005.db2.gz	YSBNGFOBLPDNOH-SECBINFHSA-N	0	1	236.279	0.474	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N(C)[C@H](C)CO	ZINC000331003653	353211193	/nfs/dbraw/zinc/21/11/93/353211193.db2.gz	RPLOTPLXKLTISQ-SSDOTTSWSA-N	0	1	226.280	0.445	20	30		BCEDMN
C[C@H](Cn1cncn1)NC(=O)NCCC#N	ZINC000331143701	353222620	/nfs/dbraw/zinc/22/26/20/353222620.db2.gz	LHTMQSWUZDPDKV-MRVPVSSYSA-N	0	1	222.252	0.084	20	30		BCEDMN
CC[C@H](C)[C@@](C)(O)CNC(=O)c1cnn[nH]1	ZINC000331263146	353239202	/nfs/dbraw/zinc/23/92/02/353239202.db2.gz	NLDUISVDRNMEKO-XVKPBYJWSA-N	0	1	226.280	0.906	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](O)[C@H](C)C1	ZINC000251682729	353292212	/nfs/dbraw/zinc/29/22/12/353292212.db2.gz	NRWWKUPDQUEPAU-OUAUKWLOSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCN(C(=O)C[C@H]1COCCN1)C1CC1	ZINC000131298618	353366339	/nfs/dbraw/zinc/36/63/39/353366339.db2.gz	YILUEMKJMUWWLK-JTQLQIEISA-N	0	1	224.304	0.542	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCn2ccnc2)C1=O	ZINC000281399180	353446121	/nfs/dbraw/zinc/44/61/21/353446121.db2.gz	QIBRHXCWHGPPRC-GFCCVEGCSA-N	0	1	248.330	0.602	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](O)C1	ZINC000093345083	353482427	/nfs/dbraw/zinc/48/24/27/353482427.db2.gz	JZIQETCZGAWEOP-VWYCJHECSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@@H](C)CO)C1=O	ZINC000282880187	353485183	/nfs/dbraw/zinc/48/51/83/353485183.db2.gz	VGSOXLLRVULFDF-VHSXEESVSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)[C@@H](C)COC)C1=O	ZINC000281895642	353467697	/nfs/dbraw/zinc/46/76/97/353467697.db2.gz	FEYFVWWBPOCFAD-WDEREUQCSA-N	0	1	226.320	0.740	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000284286693	353510578	/nfs/dbraw/zinc/51/05/78/353510578.db2.gz	NQMRTUJREVJWDN-MRVPVSSYSA-N	0	1	207.233	0.176	20	30		BCEDMN
CC#CCN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1	ZINC000284566153	353514858	/nfs/dbraw/zinc/51/48/58/353514858.db2.gz	IUYDGNAJDHJWIX-MNOVXSKESA-N	0	1	234.303	0.898	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)OC	ZINC000285492832	353544279	/nfs/dbraw/zinc/54/42/79/353544279.db2.gz	CIZILUHHDICANN-VHSXEESVSA-N	0	1	214.309	0.644	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)OC	ZINC000285867149	353547161	/nfs/dbraw/zinc/54/71/61/353547161.db2.gz	XYWNDIVJZZPMOU-ZJUUUORDSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#CCC(CC#C)C(=O)Nc1nnc(C)[nH]1	ZINC000287860457	353592955	/nfs/dbraw/zinc/59/29/55/353592955.db2.gz	ZPMUKWAZSXPXMN-UHFFFAOYSA-N	0	1	216.244	0.714	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)C[C@H]1C	ZINC000286616762	353563865	/nfs/dbraw/zinc/56/38/65/353563865.db2.gz	RUQKWSCDCXSBED-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
C#CCCC[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	ZINC000289518406	353630652	/nfs/dbraw/zinc/63/06/52/353630652.db2.gz	VNBOHVHVCGRXTK-SNVBAGLBSA-N	0	1	234.303	0.691	20	30		BCEDMN
C#Cc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000289117732	353618235	/nfs/dbraw/zinc/61/82/35/353618235.db2.gz	NLCDKGPCWIEEOQ-ZDUSSCGKSA-N	0	1	249.335	0.945	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](n2cccn2)C1	ZINC000291708430	353697614	/nfs/dbraw/zinc/69/76/14/353697614.db2.gz	IKFZPKVBRHOAKD-NWDGAFQWSA-N	0	1	246.314	0.268	20	30		BCEDMN
C#CCONC(=O)c1cn[nH]c1C(C)C	ZINC000291027106	353678308	/nfs/dbraw/zinc/67/83/08/353678308.db2.gz	AYEQYCJENSTTLF-UHFFFAOYSA-N	0	1	207.233	0.828	20	30		BCEDMN
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C#CCNC(=O)[C@H](C)N1CC[C@H](n2cccn2)C1	ZINC000291708432	353697312	/nfs/dbraw/zinc/69/73/12/353697312.db2.gz	IKFZPKVBRHOAKD-RYUDHWBXSA-N	0	1	246.314	0.268	20	30		BCEDMN
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C=C[C@H](CO)NC(=O)c1cnccc1N(C)C	ZINC000290469029	353656318	/nfs/dbraw/zinc/65/63/18/353656318.db2.gz	CYDFSFRWAALHPM-SECBINFHSA-N	0	1	235.287	0.424	20	30		BCEDMN
C=CCn1nnnc1SCc1n[nH]c(C)n1	ZINC000291796718	353704565	/nfs/dbraw/zinc/70/45/65/353704565.db2.gz	XPLUJZBELJVPLX-UHFFFAOYSA-N	0	1	237.292	0.578	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](C)[C@@H]1C	ZINC000292904173	353728389	/nfs/dbraw/zinc/72/83/89/353728389.db2.gz	WHOJMDWICGYQID-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](C)[C@@H]1C	ZINC000292904177	353728680	/nfs/dbraw/zinc/72/86/80/353728680.db2.gz	WHOJMDWICGYQID-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCOCCN(CCC)CC(=O)NC	ZINC000293566567	353748882	/nfs/dbraw/zinc/74/88/82/353748882.db2.gz	SLCWIZDHIGSESN-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
CC(C)CN1CCO[C@H](CNC(=O)CC#N)C1	ZINC000185077204	353749719	/nfs/dbraw/zinc/74/97/19/353749719.db2.gz	ZFKFINGXVQFIGK-LLVKDONJSA-N	0	1	239.319	0.373	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCCc1nc(C)n[nH]1	ZINC000293277400	353739212	/nfs/dbraw/zinc/73/92/12/353739212.db2.gz	FHBUZWVNZDOYPO-UHFFFAOYSA-N	0	1	244.245	0.983	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](C)OC[C@@H]1C	ZINC000293411634	353743144	/nfs/dbraw/zinc/74/31/44/353743144.db2.gz	IEEIOCDDXIXJBF-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H]1C	ZINC000293547838	353748014	/nfs/dbraw/zinc/74/80/14/353748014.db2.gz	YRGSLOKJNRGOMD-BBBLOLIVSA-N	0	1	239.319	0.727	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)NCC#CC	ZINC000296347290	353823285	/nfs/dbraw/zinc/82/32/85/353823285.db2.gz	CTCJWFCSWKWWJC-UHFFFAOYSA-N	0	1	221.304	0.264	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCCN1CCCOCC1	ZINC000296836493	353829037	/nfs/dbraw/zinc/82/90/37/353829037.db2.gz	LPPUTBKVKIBDNM-NSHDSACASA-N	0	1	239.319	0.030	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC=C(COC)CC1	ZINC000185878354	353859354	/nfs/dbraw/zinc/85/93/54/353859354.db2.gz	VYUCJHYEVAFEIQ-LLVKDONJSA-N	0	1	238.331	0.956	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000186080240	353860174	/nfs/dbraw/zinc/86/01/74/353860174.db2.gz	YRMPRYVNJPWICN-BDAKNGLRSA-N	0	1	234.303	0.970	20	30		BCEDMN
C=CCOCC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000343358785	353871529	/nfs/dbraw/zinc/87/15/29/353871529.db2.gz	JFMQLWJKSFAEHG-ZETCQYMHSA-N	0	1	224.264	0.493	20	30		BCEDMN
C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1C	ZINC000343418733	353880750	/nfs/dbraw/zinc/88/07/50/353880750.db2.gz	CKHLNZKLSNZTJD-NXEZZACHSA-N	0	1	241.360	0.842	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@H](C)C#N)c1nn[nH]n1	ZINC000343725314	353959440	/nfs/dbraw/zinc/95/94/40/353959440.db2.gz	JLQCUNVKDWEQHZ-RNFRBKRXSA-N	0	1	222.252	0.317	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC(C)(O)CC1	ZINC000087781097	166387727	/nfs/dbraw/zinc/38/77/27/166387727.db2.gz	SCZBGBDGVCLGAP-JTQLQIEISA-N	0	1	226.320	0.524	20	30		BCEDMN
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C=CCNC(=O)[C@H](C)N[C@@H](C)c1cn[nH]c1	ZINC000273973927	166388411	/nfs/dbraw/zinc/38/84/11/166388411.db2.gz	GWRBWFVPMJLRQM-IUCAKERBSA-N	0	1	222.292	0.751	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000343981648	354058219	/nfs/dbraw/zinc/05/82/19/354058219.db2.gz	NZFUPNWKJPQRTB-GHMZBOCLSA-N	0	1	246.376	0.965	20	30		BCEDMN
C=CCC[C@H](CO)NCc1nccnc1OC	ZINC000449702613	202005343	/nfs/dbraw/zinc/00/53/43/202005343.db2.gz	ZIACMNGXIFECQN-SNVBAGLBSA-N	0	1	237.303	0.902	20	30		BCEDMN
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CN(CCCC#N)CCN1CCCC1=O	ZINC000609578184	355915483	/nfs/dbraw/zinc/91/54/83/355915483.db2.gz	CWLZWTYDDNYPES-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
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COCCN1CCN([C@@H](C)CCC#N)CC1	ZINC000351635633	356038356	/nfs/dbraw/zinc/03/83/56/356038356.db2.gz	XGUTUHZGRGXNBA-LBPRGKRZSA-N	0	1	225.336	0.943	20	30		BCEDMN
O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCCO1	ZINC000329755615	356113094	/nfs/dbraw/zinc/11/30/94/356113094.db2.gz	YEMNYRJNPRDISQ-QMMMGPOBSA-N	0	1	236.275	0.818	20	30		BCEDMN
CC(=O)N1CC(NC(=O)[C@H]2CCCN2C)C1	ZINC000329972855	356154222	/nfs/dbraw/zinc/15/42/22/356154222.db2.gz	YHQZNBYDRAOMCR-SNVBAGLBSA-N	0	1	225.292	0.268	20	30		BCEDMN
O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc2[nH]nnc2c1	ZINC000330059296	356164962	/nfs/dbraw/zinc/16/49/62/356164962.db2.gz	KSRHNFNPHJZZTB-VROVMSAKSA-N	0	1	244.254	0.907	20	30		BCEDMN
N#CCN(C(=O)Cc1ccn[nH]1)C1CC1	ZINC000329868782	356136762	/nfs/dbraw/zinc/13/67/62/356136762.db2.gz	XVWGGPPWPUEMPI-UHFFFAOYSA-N	0	1	204.233	0.467	20	30		BCEDMN
C=CCCNC(=O)CC[NH+]1CCN(CC)CC1	ZINC000617616094	356186211	/nfs/dbraw/zinc/18/62/11/356186211.db2.gz	IZMVZAXVUAIFCV-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
C[N@H+]1CCC[C@H]1CNC(=O)N=c1cn[n-]s1	ZINC000330255504	356194900	/nfs/dbraw/zinc/19/49/00/356194900.db2.gz	JZAWBXSPUNVXRP-ZETCQYMHSA-N	0	1	241.320	0.958	20	30		BCEDMN
N#CC1(CN2CC[C@@]3(CNC(=O)C3)C2)CC1	ZINC000333081189	134086823	/nfs/dbraw/zinc/08/68/23/134086823.db2.gz	XDTANNUGPSBXRL-GFCCVEGCSA-N	0	1	219.288	0.502	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)C1(N(C)C)CC1	ZINC000613489412	363462565	/nfs/dbraw/zinc/46/25/65/363462565.db2.gz	PQXDBAMLSJXHEQ-SECBINFHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCCS(=O)(=O)[N-][C@H](CC[NH3+])C(F)F	ZINC000420458225	192243504	/nfs/dbraw/zinc/24/35/04/192243504.db2.gz	ITJDZUALDNVIFC-SSDOTTSWSA-N	0	1	242.291	0.464	20	30		BCEDMN
CCN(CC(=O)NC1(C#N)CCC1)C[C@H](C)O	ZINC000352220086	134108686	/nfs/dbraw/zinc/10/86/86/134108686.db2.gz	GZRDEDMUFVFQDK-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1nnc[nH]1	ZINC000333434543	134108733	/nfs/dbraw/zinc/10/87/33/134108733.db2.gz	VCXOKDVPGWZBBU-HRDYMLBCSA-N	0	1	248.290	0.857	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)N[C@H](C)CC#N	ZINC000352256079	134118817	/nfs/dbraw/zinc/11/88/17/134118817.db2.gz	JAIXVWVPAIWAQE-SNVBAGLBSA-N	0	1	247.364	0.550	20	30		BCEDMN
CNC(=O)C(C)(C)CNC[C@@H](C#N)CCC#N	ZINC000578112877	366267991	/nfs/dbraw/zinc/26/79/91/366267991.db2.gz	SXKXRFJJJDYBFV-SNVBAGLBSA-N	0	1	236.319	0.792	20	30		BCEDMN
C[C@H]1C[C@@]1(C#N)C(=O)N1CC(N(C)C)C1	ZINC000336203257	134131155	/nfs/dbraw/zinc/13/11/55/134131155.db2.gz	PMKPHZNYOSYISR-KWQFWETISA-N	0	1	207.277	0.309	20	30		BCEDMN
CN(C)C(=O)CN(C)[C@H]1CC[C@H](C#N)C1	ZINC000336327861	134143576	/nfs/dbraw/zinc/14/35/76/134143576.db2.gz	YMAXLZNYRVMUKN-UWVGGRQHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C=C(C)CN1CCC(S(=O)(=O)NC)CC1	ZINC000336439059	134147319	/nfs/dbraw/zinc/14/73/19/134147319.db2.gz	HKLPYJOLALNXMB-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
CNC(=O)CCN(C)Cc1ccc(C#N)cn1	ZINC000582234587	356638083	/nfs/dbraw/zinc/63/80/83/356638083.db2.gz	OWKDXNXBNBMCLT-UHFFFAOYSA-N	0	1	232.287	0.521	20	30		BCEDMN
CCOC[C@H](O)CN1CCC(F)(C#N)CC1	ZINC000352458086	134146115	/nfs/dbraw/zinc/14/61/15/134146115.db2.gz	GMXOAOSKARAQAO-SNVBAGLBSA-N	0	1	230.283	0.711	20	30		BCEDMN
C[C@H](Nc1ccncc1C#N)c1nnc[nH]1	ZINC000399444048	356699796	/nfs/dbraw/zinc/69/97/96/356699796.db2.gz	MUIHSUZNNVMOSD-ZETCQYMHSA-N	0	1	214.232	0.666	20	30		BCEDMN
N#CCCCCN1C[C@H]2[C@@H](CCS2(=O)=O)C1	ZINC000353119674	134161813	/nfs/dbraw/zinc/16/18/13/134161813.db2.gz	OQTISBGCJNCHLV-QWRGUYRKSA-N	0	1	242.344	0.799	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)Cc1ccn[nH]1	ZINC000353274234	134162761	/nfs/dbraw/zinc/16/27/61/134162761.db2.gz	PAAXHLINFLGGPU-UHFFFAOYSA-N	0	1	220.276	0.960	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C2CCC2)CC1	ZINC000355753943	134175076	/nfs/dbraw/zinc/17/50/76/134175076.db2.gz	DKYMROVLIXIIMU-UHFFFAOYSA-N	0	1	237.347	0.459	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1CC#Cc1ccccc1	ZINC000639851090	356855234	/nfs/dbraw/zinc/85/52/34/356855234.db2.gz	YZENPBZMULHEPL-CABCVRRESA-N	0	1	245.322	0.856	20	30		BCEDMN
CN(CC#N)C(=O)[C@@H]1CCCc2c[nH]nc21	ZINC000362489253	356945759	/nfs/dbraw/zinc/94/57/59/356945759.db2.gz	VEEDDSBNUGIDMP-SECBINFHSA-N	0	1	218.260	0.812	20	30		BCEDMN
Cn1cc(N2CCC[C@H](NCCC#N)C2)cn1	ZINC000583688863	357120557	/nfs/dbraw/zinc/12/05/57/357120557.db2.gz	HGVNAMICZRKYTL-NSHDSACASA-N	0	1	233.319	0.892	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000582490820	357320270	/nfs/dbraw/zinc/32/02/70/357320270.db2.gz	OJODYAAVZVYVTI-ZJUUUORDSA-N	0	1	215.293	0.966	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000360214212	134199359	/nfs/dbraw/zinc/19/93/59/134199359.db2.gz	ADMAUGNNDKZIOM-MNOVXSKESA-N	0	1	246.376	0.965	20	30		BCEDMN
CCN(CC[C@H]1CCNC1=O)C[C@H](C)C#N	ZINC000395840062	357457458	/nfs/dbraw/zinc/45/74/58/357457458.db2.gz	HGYRBOQCNBNTHO-GHMZBOCLSA-N	0	1	223.320	0.994	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@H]1CCCN1C	ZINC000361079451	134203275	/nfs/dbraw/zinc/20/32/75/134203275.db2.gz	IURCPFQLNVFKII-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(O)CC1	ZINC000230376443	357530977	/nfs/dbraw/zinc/53/09/77/357530977.db2.gz	RHVRQEPSGXBAHI-DGCLKSJQSA-N	0	1	238.331	0.361	20	30		BCEDMN
CN1CCCN(CCCSCC#N)CC1=O	ZINC000191111739	357752076	/nfs/dbraw/zinc/75/20/76/357752076.db2.gz	LOYIFYMCCAWEIK-UHFFFAOYSA-N	0	1	241.360	0.797	20	30		BCEDMN
C#CCCN1CCO[C@]2(CCO[C@H]2C)C1	ZINC000369315999	134222470	/nfs/dbraw/zinc/22/24/70/134222470.db2.gz	XZOXMLKGHOFDJA-NWDGAFQWSA-N	0	1	209.289	0.890	20	30		BCEDMN
C=CCCN1CCN2C(=O)N(CC)C(=O)[C@H]2C1	ZINC000369468208	134222888	/nfs/dbraw/zinc/22/28/88/134222888.db2.gz	NCSMDZKUHVKYOC-SNVBAGLBSA-N	0	1	237.303	0.531	20	30		BCEDMN
N#CCCCS(=O)(=O)NCCN1CCCC1	ZINC000191860769	357810040	/nfs/dbraw/zinc/81/00/40/357810040.db2.gz	QTEYXSANKMDXIN-UHFFFAOYSA-N	0	1	245.348	0.305	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000235594357	357881433	/nfs/dbraw/zinc/88/14/33/357881433.db2.gz	IQGIHMLNLWSHGV-GXSJLCMTSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000235594357	357881437	/nfs/dbraw/zinc/88/14/37/357881437.db2.gz	IQGIHMLNLWSHGV-GXSJLCMTSA-N	0	1	240.303	0.474	20	30		BCEDMN
COCCN(CCC#N)C(=O)c1cnc(C)[nH]1	ZINC000610491583	357953873	/nfs/dbraw/zinc/95/38/73/357953873.db2.gz	FPQIPARXRMUMIT-UHFFFAOYSA-N	0	1	236.275	0.720	20	30		BCEDMN
C=CCCCCN1CCO[C@H](C(N)=O)C1	ZINC000584820348	358196355	/nfs/dbraw/zinc/19/63/55/358196355.db2.gz	QVJBCZSSTXOETP-JTQLQIEISA-N	0	1	212.293	0.529	20	30		BCEDMN
CC(C)(C)[C@H](NCc1ccnc(C#N)c1)C(N)=O	ZINC000610993578	358422726	/nfs/dbraw/zinc/42/27/26/358422726.db2.gz	VEQUVWXBYXKJHL-LLVKDONJSA-N	0	1	246.314	0.943	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCCC1	ZINC000043562553	358540395	/nfs/dbraw/zinc/54/03/95/358540395.db2.gz	GNGPDMVBXJGJFL-VIFPVBQESA-N	0	1	225.292	0.483	20	30		BCEDMN
CC(C)(C#N)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000044752906	358552804	/nfs/dbraw/zinc/55/28/04/358552804.db2.gz	UTBFJHRVCBDWFL-SECBINFHSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)[C@H]1CCCN(C)C1	ZINC000131309409	358671093	/nfs/dbraw/zinc/67/10/93/358671093.db2.gz	XXFARFJRQTZFNA-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
N#CCc1ccc(C(=O)NCc2c[nH]nn2)cc1	ZINC000611152416	358895697	/nfs/dbraw/zinc/89/56/97/358895697.db2.gz	PANYSYFHRRIFTM-UHFFFAOYSA-N	0	1	241.254	0.801	20	30		BCEDMN
C[C@H](NCC(=O)NCC#N)c1cccc(C#N)c1	ZINC000611388382	359358033	/nfs/dbraw/zinc/35/80/33/359358033.db2.gz	HCWDLQXILXQEMZ-JTQLQIEISA-N	0	1	242.282	0.849	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2=CCC2)CC1	ZINC000611544260	359394595	/nfs/dbraw/zinc/39/45/95/359394595.db2.gz	YSARLVLWFKYCKH-UHFFFAOYSA-N	0	1	219.288	0.811	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000611623435	359401877	/nfs/dbraw/zinc/40/18/77/359401877.db2.gz	AKPXMNWGFPRMLW-ZJUUUORDSA-N	0	1	224.308	0.539	20	30		BCEDMN
C=CCCN(C)C[C@H](C)S(C)(=O)=O	ZINC000450823338	202276654	/nfs/dbraw/zinc/27/66/54/202276654.db2.gz	VBUHOQBARNZELI-VIFPVBQESA-N	0	1	205.323	0.927	20	30		BCEDMN
COc1ccc(C#N)cc1CN(C)CCO	ZINC000130411155	359806033	/nfs/dbraw/zinc/80/60/33/359806033.db2.gz	RXXRZLVSKZKRDO-UHFFFAOYSA-N	0	1	220.272	0.991	20	30		BCEDMN
CC[C@H](CO)N(C)CC(=O)N(CC)CCC#N	ZINC000451151916	202365384	/nfs/dbraw/zinc/36/53/84/202365384.db2.gz	AKAOEAHBPPCWLJ-LLVKDONJSA-N	0	1	241.335	0.451	20	30		BCEDMN
C[C@@](CO)(NCC(=O)NCC#N)c1ccccc1	ZINC000169251886	359909189	/nfs/dbraw/zinc/90/91/89/359909189.db2.gz	SZAFOVLLKBHFKI-ZDUSSCGKSA-N	0	1	247.298	0.123	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000612601214	359909736	/nfs/dbraw/zinc/90/97/36/359909736.db2.gz	OLCGZGXCIHAPOS-PRHODGIISA-N	0	1	237.303	0.702	20	30		BCEDMN
COc1ccc([C@@H](C)NCC(=O)NCC#N)cc1	ZINC000090340343	360070311	/nfs/dbraw/zinc/07/03/11/360070311.db2.gz	DJCZYQDXQBWHTF-SNVBAGLBSA-N	0	1	247.298	0.986	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1CCCN1C	ZINC000092631503	360186642	/nfs/dbraw/zinc/18/66/42/360186642.db2.gz	BLNNBIBUHFCIJW-ZJUUUORDSA-N	0	1	245.348	0.254	20	30		BCEDMN
C=CCN(C)C(=O)[C@H](C)CN1CCOCC1	ZINC000428285621	201006479	/nfs/dbraw/zinc/00/64/79/201006479.db2.gz	OGYXXWZDIMHAAY-LLVKDONJSA-N	0	1	226.320	0.599	20	30		BCEDMN
N#Cc1ccc(CNCCC(N)=O)c(F)c1	ZINC000036747343	361391926	/nfs/dbraw/zinc/39/19/26/361391926.db2.gz	GXDHOFFKWBQGOF-UHFFFAOYSA-N	0	1	221.235	0.662	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000435438374	201271025	/nfs/dbraw/zinc/27/10/25/201271025.db2.gz	PGKXJKFXYNGICR-WDEREUQCSA-N	0	1	246.376	0.965	20	30		BCEDMN
COC(=O)C1(NC(=O)C(C)C#N)CCC1	ZINC000438243064	201397719	/nfs/dbraw/zinc/39/77/19/201397719.db2.gz	GWWOMFYQQSFCHE-SSDOTTSWSA-N	0	1	210.233	0.358	20	30		BCEDMN
CC(C)COC[C@@H](O)CNCCC#N	ZINC000573557630	364860682	/nfs/dbraw/zinc/86/06/82/364860682.db2.gz	GTSLBQMPULFXOW-JTQLQIEISA-N	0	1	200.282	0.523	20	30		BCEDMN
C=CCOCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000573490103	364845567	/nfs/dbraw/zinc/84/55/67/364845567.db2.gz	VPYRMRYWWJGLEH-UHFFFAOYSA-N	0	1	235.243	0.001	20	30		BCEDMN
Cc1cc(C[C@@H](C)Nc2ncncc2C#N)[nH]n1	ZINC000574395429	365052958	/nfs/dbraw/zinc/05/29/58/365052958.db2.gz	DGBSEFFPDAKTFX-MRVPVSSYSA-N	0	1	242.286	0.845	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCCCc1nc[nH]n1	ZINC000080626599	370801227	/nfs/dbraw/zinc/80/12/27/370801227.db2.gz	BHAIQSKBYAGDSF-MRVPVSSYSA-N	0	1	221.264	0.403	20	30		BCEDMN
N#CC1(C(=O)NCCCc2nc[nH]n2)CCCC1	ZINC000080643836	370805624	/nfs/dbraw/zinc/80/56/24/370805624.db2.gz	AVDGUNZHAFRAHO-UHFFFAOYSA-N	0	1	247.302	0.937	20	30		BCEDMN
C[C@@H](C(=O)NCCCC#N)N1CC(C)C1	ZINC000579857701	367054928	/nfs/dbraw/zinc/05/49/28/367054928.db2.gz	FJOUALVOYSNASF-JTQLQIEISA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CCCCc1cn[nH]n1	ZINC000184769834	367094061	/nfs/dbraw/zinc/09/40/61/367094061.db2.gz	NBORGNBISQSPFW-VIFPVBQESA-N	0	1	235.291	0.793	20	30		BCEDMN
CC(=O)N1CC(NCc2cc(C#N)n(C)c2)C1	ZINC000580903530	367203703	/nfs/dbraw/zinc/20/37/03/367203703.db2.gz	VNXJQNNUZZSASD-UHFFFAOYSA-N	0	1	232.287	0.217	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)COCCOC	ZINC000581140448	367276220	/nfs/dbraw/zinc/27/62/20/367276220.db2.gz	MOVCDVOKEPHGND-QWRGUYRKSA-N	0	1	230.308	0.292	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N[C@]2(C#N)CCOC2)C1	ZINC000581201334	367293273	/nfs/dbraw/zinc/29/32/73/367293273.db2.gz	VKGJCULBCDAWGH-JQWIXIFHSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCOCC[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000385845027	367869999	/nfs/dbraw/zinc/86/99/99/367869999.db2.gz	RZMXJCONYHOCED-SECBINFHSA-N	0	1	201.266	0.842	20	30		BCEDMN
COCCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000566218749	326016454	/nfs/dbraw/zinc/01/64/54/326016454.db2.gz	CRCCMQATNMIBIB-UHFFFAOYSA-N	0	1	237.259	0.225	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1	ZINC000615593863	368125937	/nfs/dbraw/zinc/12/59/37/368125937.db2.gz	GFMWUMGPZGPUON-ONGXEEELSA-N	0	1	225.267	0.545	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)Cc1n[nH]c(C)n1	ZINC000615849556	368530868	/nfs/dbraw/zinc/53/08/68/368530868.db2.gz	PHFXUMULRSZHIY-BDAKNGLRSA-N	0	1	236.275	0.115	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CCOC)CC1	ZINC000068713513	368733501	/nfs/dbraw/zinc/73/35/01/368733501.db2.gz	ZJRKGENAWDHTKN-UHFFFAOYSA-N	0	1	238.331	0.436	20	30		BCEDMN
C=CCNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1	ZINC000457414713	203059004	/nfs/dbraw/zinc/05/90/04/203059004.db2.gz	RLNAAIWFHXOQFZ-PHIMTYICSA-N	0	1	241.335	0.269	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN([C@@H](C)CC)CC1	ZINC000615984363	368855005	/nfs/dbraw/zinc/85/50/05/368855005.db2.gz	FCEDAZYDECVKDP-WDEREUQCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)Cc1n[nH]c(C)n1	ZINC000616100722	368951823	/nfs/dbraw/zinc/95/18/23/368951823.db2.gz	MLXPIXZNSMTLOH-VIFPVBQESA-N	0	1	238.291	0.099	20	30		BCEDMN
COCCNCC(=O)Nc1cccc(C#N)c1	ZINC000105674689	369061381	/nfs/dbraw/zinc/06/13/81/369061381.db2.gz	RIRCHLZVYDECOD-UHFFFAOYSA-N	0	1	233.271	0.733	20	30		BCEDMN
C=CCOCCCNC(=O)c1cnn[nH]1	ZINC000618521486	369165499	/nfs/dbraw/zinc/16/54/99/369165499.db2.gz	WLZXPNSHTYBIGQ-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C=C(CC)CNC(=O)NCCN1CCC1	ZINC000459081449	203231797	/nfs/dbraw/zinc/23/17/97/203231797.db2.gz	RDAQNWUQZGJUPG-UHFFFAOYSA-N	0	1	211.309	0.958	20	30		BCEDMN
C[C@@H]1CN(CCN[C@@H]2CCC[C@H]2C#N)CCO1	ZINC000459489228	203291842	/nfs/dbraw/zinc/29/18/42/203291842.db2.gz	XKNMMQGRCQIBKU-FRRDWIJNSA-N	0	1	237.347	0.989	20	30		BCEDMN
CCOC[C@@H](O)CNCC(C)(C)C#N	ZINC000405167055	369448396	/nfs/dbraw/zinc/44/83/96/369448396.db2.gz	JNGCYSOSSZEMLY-VIFPVBQESA-N	0	1	200.282	0.523	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@H]1C(C)C	ZINC000631000255	369535552	/nfs/dbraw/zinc/53/55/52/369535552.db2.gz	QNDPFZCZTXJVGC-JTQLQIEISA-N	0	1	211.309	0.812	20	30		BCEDMN
COC[C@H](O)CN(C)[C@H]1CCC[C@@H]1C#N	ZINC000250413938	369525082	/nfs/dbraw/zinc/52/50/82/369525082.db2.gz	OGERUGOISBODGK-MXWKQRLJSA-N	0	1	212.293	0.618	20	30		BCEDMN
CC(C)[N@@H+](C)CC(=O)Nc1n[nH]cc1C#N	ZINC000601641025	369651143	/nfs/dbraw/zinc/65/11/43/369651143.db2.gz	LQCASZCNDXGEQS-UHFFFAOYSA-N	0	1	221.264	0.560	20	30		BCEDMN
CC(C)N(C)CC(=O)Nc1n[nH]cc1C#N	ZINC000601641025	369651149	/nfs/dbraw/zinc/65/11/49/369651149.db2.gz	LQCASZCNDXGEQS-UHFFFAOYSA-N	0	1	221.264	0.560	20	30		BCEDMN
CN(C)C(=O)CCNCc1cccc(C#N)n1	ZINC000602530128	369806517	/nfs/dbraw/zinc/80/65/17/369806517.db2.gz	DSAIVSVXJDSROZ-UHFFFAOYSA-N	0	1	232.287	0.521	20	30		BCEDMN
C[C@H](CC(N)=O)NCc1cccc(C#N)n1	ZINC000602569701	369813858	/nfs/dbraw/zinc/81/38/58/369813858.db2.gz	RFRKDBAUZSZBRM-MRVPVSSYSA-N	0	1	218.260	0.307	20	30		BCEDMN
C[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)n1	ZINC000602607439	369826015	/nfs/dbraw/zinc/82/60/15/369826015.db2.gz	JWSCAMNPJLSKON-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@@H](O)CN(C)Cc1cccc(C#N)n1	ZINC000602607439	369826021	/nfs/dbraw/zinc/82/60/21/369826021.db2.gz	JWSCAMNPJLSKON-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@@H]2CO)n1	ZINC000602439007	369788407	/nfs/dbraw/zinc/78/84/07/369788407.db2.gz	VGFWIOXCUZMCMJ-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
N#Cc1cccc(CN(CCO)CCCO)n1	ZINC000602470233	369791046	/nfs/dbraw/zinc/79/10/46/369791046.db2.gz	YROFHZPEUGWVLN-UHFFFAOYSA-N	0	1	235.287	0.130	20	30		BCEDMN
CC(C)NC(=O)CCNCc1cccc(C#N)n1	ZINC000602509828	369798212	/nfs/dbraw/zinc/79/82/12/369798212.db2.gz	UMIXZHSPXQERIM-UHFFFAOYSA-N	0	1	246.314	0.958	20	30		BCEDMN
CN1CCN(Cc2ccccc2C#N)[C@@H](CO)C1	ZINC000602714620	369845892	/nfs/dbraw/zinc/84/58/92/369845892.db2.gz	HRTDPDSMFKOUDR-CQSZACIVSA-N	0	1	245.326	0.667	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1Cc1ccccc1C#N	ZINC000602898057	369861212	/nfs/dbraw/zinc/86/12/12/369861212.db2.gz	KUKFJSXCHQIXCG-KGLIPLIRSA-N	0	1	246.310	0.876	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1Cc1ccccc1C#N	ZINC000602898059	369861361	/nfs/dbraw/zinc/86/13/61/369861361.db2.gz	KUKFJSXCHQIXCG-ZIAGYGMSSA-N	0	1	246.310	0.876	20	30		BCEDMN
COC[C@@](C)(CO)NCc1ccc(C#N)cn1	ZINC000602931695	369866571	/nfs/dbraw/zinc/86/65/71/369866571.db2.gz	JDTCLJNMSPQTHQ-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
C=CCCCN(C)CCS(=O)(=O)NC	ZINC000621258450	370191687	/nfs/dbraw/zinc/19/16/87/370191687.db2.gz	LQIRNXZEPGYEIE-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
COC[C@@](C)(O)CCNC[C@@H](C#N)CCC#N	ZINC000569112257	326390566	/nfs/dbraw/zinc/39/05/66/326390566.db2.gz	VXVWSFFWJNYDFO-NEPJUHHUSA-N	0	1	239.319	0.807	20	30		BCEDMN
C=CCCC[C@@H](C)Nc1nc(N)nc(N)[nH+]1	ZINC000624086102	371297123	/nfs/dbraw/zinc/29/71/23/371297123.db2.gz	VQNDDRKCSMDKDX-SSDOTTSWSA-N	0	1	222.296	0.275	20	30		BCEDMN
Cc1nc([C@H](C)Nc2ccnc(C#N)n2)n[nH]1	ZINC000392502716	371400155	/nfs/dbraw/zinc/40/01/55/371400155.db2.gz	KMXVGVBRLKVPFY-LURJTMIESA-N	0	1	229.247	0.370	20	30		BCEDMN
C=CCC(C)(C)CNc1nc(N)nc(N)[nH+]1	ZINC000624244240	371431153	/nfs/dbraw/zinc/43/11/53/371431153.db2.gz	SGJOEYQLWFVINF-UHFFFAOYSA-N	0	1	222.296	0.133	20	30		BCEDMN
C=CC1CCN(C(=O)Cc2ncn[nH]2)CC1	ZINC000631221343	372245265	/nfs/dbraw/zinc/24/52/65/372245265.db2.gz	FYZPHVZGIKSLJR-UHFFFAOYSA-N	0	1	220.276	0.772	20	30		BCEDMN
C=CC[C@H](C)NC(=O)CCc1nn[nH]n1	ZINC000631343530	372303077	/nfs/dbraw/zinc/30/30/77/372303077.db2.gz	FFWJPKAEDYZJJC-ZETCQYMHSA-N	0	1	209.253	0.213	20	30		BCEDMN
C=CCCCN(C)C(=O)Cc1ncn[nH]1	ZINC000631392557	372332117	/nfs/dbraw/zinc/33/21/17/372332117.db2.gz	GBKRNDHJPPXHRT-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)Cc1nnc[nH]1	ZINC000632849752	373188138	/nfs/dbraw/zinc/18/81/38/373188138.db2.gz	PRWZBDCKHKVBMP-MRVPVSSYSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(N(C)C)nc1	ZINC000289444309	206028343	/nfs/dbraw/zinc/02/83/43/206028343.db2.gz	AZWCFRVSPBHHKB-SNVBAGLBSA-N	0	1	222.292	0.179	20	30		BCEDMN
CCOC(=O)COCCN[C@@H]1CCC[C@H]1C#N	ZINC000459492123	206127518	/nfs/dbraw/zinc/12/75/18/206127518.db2.gz	ZSOGHSSXYBZQCN-WDEREUQCSA-N	0	1	240.303	0.848	20	30		BCEDMN
Cc1nc([C@H](C)Nc2nccnc2C#N)n[nH]1	ZINC000343970757	383901343	/nfs/dbraw/zinc/90/13/43/383901343.db2.gz	IOMSPIJKRKZRSD-LURJTMIESA-N	0	1	229.247	0.948	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1c[nH]c(C#N)c1	ZINC000334890175	383971758	/nfs/dbraw/zinc/97/17/58/383971758.db2.gz	FDVZJZKSRCBXDV-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21	ZINC000332669884	384108612	/nfs/dbraw/zinc/10/86/12/384108612.db2.gz	BKALOHKMWCCZPR-GMTAPVOTSA-N	0	1	237.303	0.078	20	30		BCEDMN
C[N@@H+](CCC(N)=O)Cc1ccccc1C#N	ZINC000286544402	384188936	/nfs/dbraw/zinc/18/89/36/384188936.db2.gz	SCOWRDHGIGXJMV-UHFFFAOYSA-N	0	1	217.272	0.865	20	30		BCEDMN
CN(CCC(N)=O)Cc1ccccc1C#N	ZINC000286544402	384188939	/nfs/dbraw/zinc/18/89/39/384188939.db2.gz	SCOWRDHGIGXJMV-UHFFFAOYSA-N	0	1	217.272	0.865	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)c1ccn[nH]1	ZINC000067676717	134398392	/nfs/dbraw/zinc/39/83/92/134398392.db2.gz	DSFRMHNWQOQYNC-UHFFFAOYSA-N	0	1	217.232	0.679	20	30		BCEDMN
N#CCCCN1CCC[C@H](N2CCNC2=O)C1	ZINC000363438323	134399507	/nfs/dbraw/zinc/39/95/07/134399507.db2.gz	JGAWJXOBPZAFQZ-NSHDSACASA-N	0	1	236.319	0.780	20	30		BCEDMN
CCc1nc(CN2CCO[C@@H](C#N)C2)n[nH]1	ZINC000158437557	384228855	/nfs/dbraw/zinc/22/88/55/384228855.db2.gz	LXIWYWDKPYCNER-QMMMGPOBSA-N	0	1	221.264	0.091	20	30		BCEDMN
CC#CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000296638407	384282622	/nfs/dbraw/zinc/28/26/22/384282622.db2.gz	ZOXRRWTUPZZPFB-PHIMTYICSA-N	0	1	223.320	0.744	20	30		BCEDMN
CC#CCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296638407	384282624	/nfs/dbraw/zinc/28/26/24/384282624.db2.gz	ZOXRRWTUPZZPFB-PHIMTYICSA-N	0	1	223.320	0.744	20	30		BCEDMN
CC[N@@H+](CCO)C[C@H](O)c1ccc(C#N)cc1	ZINC000037900135	384283820	/nfs/dbraw/zinc/28/38/20/384283820.db2.gz	JYVYWJSQYTZKAP-ZDUSSCGKSA-N	0	1	234.299	0.906	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](OC)C1	ZINC000076347428	384367529	/nfs/dbraw/zinc/36/75/29/384367529.db2.gz	AIBGINGLJWCJPY-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C[C@@H](C#N)CN[C@H]1CCC(=O)NC1(C)C	ZINC000335607816	384386962	/nfs/dbraw/zinc/38/69/62/384386962.db2.gz	HXZGOHKWOBXLHK-IUCAKERBSA-N	0	1	209.293	0.793	20	30		BCEDMN
C=CCCS(=O)(=O)NC[C@@H](C)N(C)C1CC1	ZINC000120289794	384434151	/nfs/dbraw/zinc/43/41/51/384434151.db2.gz	VOGWUQAEEVETBK-SNVBAGLBSA-N	0	1	246.376	0.965	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCCO1	ZINC000490850257	384435930	/nfs/dbraw/zinc/43/59/30/384435930.db2.gz	AVPDEKLLZTZHCH-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCCO1	ZINC000490850256	384437679	/nfs/dbraw/zinc/43/76/79/384437679.db2.gz	AVPDEKLLZTZHCH-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
COc1cccc([C@@H](C)NCC(=O)NCC#N)c1	ZINC000148288436	384467273	/nfs/dbraw/zinc/46/72/73/384467273.db2.gz	GGEVXGNEZFQZKE-SNVBAGLBSA-N	0	1	247.298	0.986	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCCCO)CC1	ZINC000490897995	384474695	/nfs/dbraw/zinc/47/46/95/384474695.db2.gz	HHYYQQUZUBCSFG-UHFFFAOYSA-N	0	1	239.315	0.647	20	30		BCEDMN
CN(C)C1CN(C(=O)C2(C#N)CCCC2)C1	ZINC000335665675	384481362	/nfs/dbraw/zinc/48/13/62/384481362.db2.gz	MJWIPMQVRSKPKM-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)CCc1nc[nH]n1	ZINC000175872118	384502173	/nfs/dbraw/zinc/50/21/73/384502173.db2.gz	YZZIJFPIWREKRA-UHFFFAOYSA-N	0	1	247.302	0.890	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](O)C1	ZINC000299891208	384581871	/nfs/dbraw/zinc/58/18/71/384581871.db2.gz	JZIQETCZGAWEOP-OUAUKWLOSA-N	0	1	226.320	0.380	20	30		BCEDMN
C=C(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000154406764	384622361	/nfs/dbraw/zinc/62/23/61/384622361.db2.gz	DJNFEBOXZHKYGL-UHFFFAOYSA-N	0	1	210.193	0.624	20	30		BCEDMN
C[C@H]1C[C@H](Nc2ncncc2C#N)C[N@H+]1C1CC1	ZINC000565890202	384716174	/nfs/dbraw/zinc/71/61/74/384716174.db2.gz	OSGXWGWKCCOAMB-ONGXEEELSA-N	0	1	243.314	0.807	20	30		BCEDMN
CN(C)CC(=O)NCC#Cc1ccccc1	ZINC000298041076	385084737	/nfs/dbraw/zinc/08/47/37/385084737.db2.gz	IFIXMDIUTRDYPE-UHFFFAOYSA-N	0	1	216.284	0.716	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)N(C)C	ZINC000644785206	385191194	/nfs/dbraw/zinc/19/11/94/385191194.db2.gz	LLXGCOJWQWKWGA-DCAQKATOSA-N	0	1	226.320	0.644	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000408046967	385150346	/nfs/dbraw/zinc/15/03/46/385150346.db2.gz	NUVFPPMJDRXDTI-MRVPVSSYSA-N	0	1	247.302	0.576	20	30		BCEDMN
CC(C)(C#N)CNC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000408046967	385150347	/nfs/dbraw/zinc/15/03/47/385150347.db2.gz	NUVFPPMJDRXDTI-MRVPVSSYSA-N	0	1	247.302	0.576	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CC[C@](C)(O)C1	ZINC000178005209	385169387	/nfs/dbraw/zinc/16/93/87/385169387.db2.gz	WQOPFZUPUBJWOJ-ZDUSSCGKSA-N	0	1	240.347	0.868	20	30		BCEDMN
CCN(CCC(=O)NC(N)=O)C[C@H](C)C#N	ZINC000157649809	385221723	/nfs/dbraw/zinc/22/17/23/385221723.db2.gz	TVYKIZYXXGAARW-MRVPVSSYSA-N	0	1	226.280	0.053	20	30		BCEDMN
C=CCn1cc(C(=O)N2CCNC(C)(C)C2)nn1	ZINC000648148831	385256994	/nfs/dbraw/zinc/25/69/94/385256994.db2.gz	TWAUYQYZEDYMGL-UHFFFAOYSA-N	0	1	249.318	0.288	20	30		BCEDMN
Cc1nnc(NCc2nnc[nH]2)c(C#N)c1C	ZINC000109310452	385336172	/nfs/dbraw/zinc/33/61/72/385336172.db2.gz	PPLKTZUMYZGNNL-UHFFFAOYSA-N	0	1	229.247	0.695	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn(CCC)c1	ZINC000309046434	385389479	/nfs/dbraw/zinc/38/94/79/385389479.db2.gz	OXEFBBZAJRGQLP-LLVKDONJSA-N	0	1	209.293	0.930	20	30		BCEDMN
C#CCNC(=O)N1CC[N@H+](CC)C[C@H]1CC	ZINC000491373445	385479208	/nfs/dbraw/zinc/47/92/08/385479208.db2.gz	MZGLVIUMZOCCNP-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C#CCNC(=O)N1CCN(CC)C[C@H]1CC	ZINC000491373445	385479211	/nfs/dbraw/zinc/47/92/11/385479211.db2.gz	MZGLVIUMZOCCNP-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000408032992	385516480	/nfs/dbraw/zinc/51/64/80/385516480.db2.gz	GFGNDXTZAKKFCM-IUCAKERBSA-N	0	1	247.302	0.528	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000408032992	385516485	/nfs/dbraw/zinc/51/64/85/385516485.db2.gz	GFGNDXTZAKKFCM-IUCAKERBSA-N	0	1	247.302	0.528	20	30		BCEDMN
C#CCN(CC#N)Cc1n[nH]c(C(C)C)n1	ZINC000292739071	533126897	/nfs/dbraw/zinc/12/68/97/533126897.db2.gz	GSUHFPGMJCMZHO-UHFFFAOYSA-N	0	1	217.276	0.887	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)CN(CC)C1CC1	ZINC000491695196	385521064	/nfs/dbraw/zinc/52/10/64/385521064.db2.gz	NWDICHKJJFBPGO-LLVKDONJSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1	ZINC000491705261	385575276	/nfs/dbraw/zinc/57/52/76/385575276.db2.gz	LRZILMDOAFSLHR-SNVBAGLBSA-N	0	1	245.282	0.761	20	30		BCEDMN
N#Cc1csc(CNC[C@@H](O)C2CC2)n1	ZINC000308860722	385598616	/nfs/dbraw/zinc/59/86/16/385598616.db2.gz	AEXKTYJNZHQTHS-SECBINFHSA-N	0	1	223.301	0.875	20	30		BCEDMN
CN(C)C1(C(=O)N2CC(CC#N)C2)CC1	ZINC000598021264	385592432	/nfs/dbraw/zinc/59/24/32/385592432.db2.gz	PMGFDSAGFRXLGP-UHFFFAOYSA-N	0	1	207.277	0.453	20	30		BCEDMN
C=C[C@@H](CO)N[C@@H]1CCCc2nn(C)cc21	ZINC000309585530	385717443	/nfs/dbraw/zinc/71/74/43/385717443.db2.gz	SCOSCNYBQDZYDJ-GXSJLCMTSA-N	0	1	221.304	0.934	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)CCc1c[nH]nn1	ZINC000601585233	385710005	/nfs/dbraw/zinc/71/00/05/385710005.db2.gz	FTKSMDJYXGKFII-NSHDSACASA-N	0	1	233.275	0.546	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)CCc1cnn[nH]1	ZINC000601585233	385710012	/nfs/dbraw/zinc/71/00/12/385710012.db2.gz	FTKSMDJYXGKFII-NSHDSACASA-N	0	1	233.275	0.546	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CC(C)(C)CO)C1=O	ZINC000451252273	385752021	/nfs/dbraw/zinc/75/20/21/385752021.db2.gz	JYBHPLFLDHFSAS-NSHDSACASA-N	0	1	240.347	0.724	20	30		BCEDMN
CCN1CCC[C@@H](NS(=O)(=O)CCC#N)C1	ZINC000408459686	385726610	/nfs/dbraw/zinc/72/66/10/385726610.db2.gz	YRIXNZMFBBGZOQ-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
COC(=O)[C@](C)(O)CN1CCC(C#N)CC1	ZINC000408384399	385801860	/nfs/dbraw/zinc/80/18/60/385801860.db2.gz	ZHVYAJAGGNFFLJ-LLVKDONJSA-N	0	1	226.276	0.146	20	30		BCEDMN
CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CCC[C@H]1C#N	ZINC000602597346	385809253	/nfs/dbraw/zinc/80/92/53/385809253.db2.gz	BDUSNMZDZFZISW-AXFHLTTASA-N	0	1	237.303	0.125	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(C)(CO)CC1	ZINC000186944255	385817839	/nfs/dbraw/zinc/81/78/39/385817839.db2.gz	ONBAMXXVLQWGHY-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
CCC#C[C@H](C)N1CC[C@H](NC(C)=O)C1	ZINC000643254192	385994791	/nfs/dbraw/zinc/99/47/91/385994791.db2.gz	ACUXYRSJKBBWMD-JQWIXIFHSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=C(C)[C@@H](CO)N1C[C@@H](CO)OC(C)(C)C1	ZINC000643253318	385987587	/nfs/dbraw/zinc/98/75/87/385987587.db2.gz	JKWIKOQRCHNWBQ-WDEREUQCSA-N	0	1	229.320	0.395	20	30		BCEDMN
CCC#C[C@@H](C)N1CC[C@@H](NC(C)=O)C1	ZINC000643254194	385994050	/nfs/dbraw/zinc/99/40/50/385994050.db2.gz	ACUXYRSJKBBWMD-ZYHUDNBSSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1CCCC[C@@H]1COC(=O)NC	ZINC000286655865	533152800	/nfs/dbraw/zinc/15/28/00/533152800.db2.gz	AGWKENFJYIKHOT-SNVBAGLBSA-N	0	1	210.277	0.830	20	30		BCEDMN
CO[C@@]1(C)CCCN(CC(=O)NCC#N)CC1	ZINC000408345898	386153139	/nfs/dbraw/zinc/15/31/39/386153139.db2.gz	FRTZAZAOOMKPOP-LBPRGKRZSA-N	0	1	239.319	0.517	20	30		BCEDMN
COCCN(C)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000345808538	386131407	/nfs/dbraw/zinc/13/14/07/386131407.db2.gz	IOJZXJUQZGJVQB-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
C=CCn1cc(CNC(=O)[C@H]2CCCN2C)nn1	ZINC000424909894	386211784	/nfs/dbraw/zinc/21/17/84/386211784.db2.gz	WRCSFMNPHRNUKB-LLVKDONJSA-N	0	1	249.318	0.175	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)CN(C)C	ZINC000424929945	386222395	/nfs/dbraw/zinc/22/23/95/386222395.db2.gz	CRTMTCQLMPTOCZ-UWVGGRQHSA-N	0	1	212.293	0.255	20	30		BCEDMN
N#CC1(CN2[C@@H](CO)CC[C@H]2CO)CC1	ZINC000347297545	386300145	/nfs/dbraw/zinc/30/01/45/386300145.db2.gz	WDMVBQCASODZLO-AOOOYVTPSA-N	0	1	210.277	0.108	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000280356948	386344353	/nfs/dbraw/zinc/34/43/53/386344353.db2.gz	VBSHRVUIZYHXRK-KOLCDFICSA-N	0	1	206.289	0.751	20	30		BCEDMN
N#CCCNC(=O)N1CCN(CC2CC2)CC1	ZINC000408364472	386362548	/nfs/dbraw/zinc/36/25/48/386362548.db2.gz	CGEYRCXULOSPKN-UHFFFAOYSA-N	0	1	236.319	0.637	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)N1CCOCC1	ZINC000061758535	386483625	/nfs/dbraw/zinc/48/36/25/386483625.db2.gz	RFSKJWWDNRMFEU-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1	ZINC000572038237	386463237	/nfs/dbraw/zinc/46/32/37/386463237.db2.gz	IPMTWRMWMONKJR-KGLIPLIRSA-N	0	1	246.310	0.733	20	30		BCEDMN
C#CCN1CCC(C(=O)Nc2cnccn2)CC1	ZINC000048610625	386578924	/nfs/dbraw/zinc/57/89/24/386578924.db2.gz	UDCKBDHNQRRTQK-UHFFFAOYSA-N	0	1	244.298	0.760	20	30		BCEDMN
COCC#CCN1CCC[C@H](n2ccnn2)C1	ZINC000644947766	386633422	/nfs/dbraw/zinc/63/34/22/386633422.db2.gz	AUGUCNAFPBJCGR-LBPRGKRZSA-N	0	1	234.303	0.565	20	30		BCEDMN
CN1C[C@@H](C(=O)NCCN2CCC2)CC1=O	ZINC000328859688	386636067	/nfs/dbraw/zinc/63/60/67/386636067.db2.gz	YOYICNJGGCBIGI-VIFPVBQESA-N	0	1	225.292	0.127	20	30		BCEDMN
O=C(NCCN1CCC1)NCC1CCOCC1	ZINC000328711853	386612508	/nfs/dbraw/zinc/61/25/08/386612508.db2.gz	NGTBYKUBFOGKGX-UHFFFAOYSA-N	0	1	241.335	0.622	20	30		BCEDMN
C=CCOCC(=O)NC1(C#N)CCN(C)CC1	ZINC000520246495	386613961	/nfs/dbraw/zinc/61/39/61/386613961.db2.gz	NXHZAXAFMGMORJ-UHFFFAOYSA-N	0	1	237.303	0.293	20	30		BCEDMN
C[C@H](NC(=O)NCCN1CCC1)[C@H]1CCOC1	ZINC000328699627	386614000	/nfs/dbraw/zinc/61/40/00/386614000.db2.gz	IGQGMGJJAMOSJE-QWRGUYRKSA-N	0	1	241.335	0.621	20	30		BCEDMN
CCN(CC(=O)N[C@H](C)CC#N)C1CC1	ZINC000179163803	386614389	/nfs/dbraw/zinc/61/43/89/386614389.db2.gz	ANFWMGBAJSAHLM-SECBINFHSA-N	0	1	209.293	0.889	20	30		BCEDMN
CC#CCCN1CCC[C@H]1CS(N)(=O)=O	ZINC000330363663	386675405	/nfs/dbraw/zinc/67/54/05/386675405.db2.gz	OKFZLQCBHQTCHI-JTQLQIEISA-N	0	1	230.333	0.153	20	30		BCEDMN
CC[C@@H](C)N(C)C([O-])=[NH+]CCn1cncn1	ZINC000330419892	386709547	/nfs/dbraw/zinc/70/95/47/386709547.db2.gz	GCGMMOYQYNEWIV-SECBINFHSA-N	0	1	225.296	0.922	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CCC[C@@H]1CO	ZINC000050114627	386683274	/nfs/dbraw/zinc/68/32/74/386683274.db2.gz	OGANYEMJUFLWLY-GFCCVEGCSA-N	0	1	238.331	0.644	20	30		BCEDMN
COC[C@@H](N)C(=O)N1CCC(CCC#N)CC1	ZINC000520585421	386698822	/nfs/dbraw/zinc/69/88/22/386698822.db2.gz	PHKHUPFMRHMZFE-LLVKDONJSA-N	0	1	239.319	0.502	20	30		BCEDMN
CC[C@@H](COC)NC(=O)N(C)Cc1nnc[nH]1	ZINC000330485569	386733095	/nfs/dbraw/zinc/73/30/95/386733095.db2.gz	AXIWTVHCQHLHBT-QMMMGPOBSA-N	0	1	241.295	0.576	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cn(C)nn1	ZINC000321183984	386714747	/nfs/dbraw/zinc/71/47/47/386714747.db2.gz	ZZDSLOPANYBAIX-SECBINFHSA-N	0	1	210.281	0.232	20	30		BCEDMN
Cc1nc(C(C)(C)NC(=O)c2cnn[nH]2)no1	ZINC000330613935	386820360	/nfs/dbraw/zinc/82/03/60/386820360.db2.gz	ZMEYYCPIRBJUBI-UHFFFAOYSA-N	0	1	236.235	0.736	20	30		BCEDMN
CC[C@@H]1CN(CC)CCN1C(=O)CC#N	ZINC000334773927	386824032	/nfs/dbraw/zinc/82/40/32/386824032.db2.gz	WJCFBTICKUQDOC-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
CN(CC(=O)NCCCC#N)[C@H]1CCSC1	ZINC000330810491	386894160	/nfs/dbraw/zinc/89/41/60/386894160.db2.gz	BIYIVELWHFFHGG-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000375503894	533205064	/nfs/dbraw/zinc/20/50/64/533205064.db2.gz	AJUJMYQRZKQFES-RKDXNWHRSA-N	0	1	232.287	0.438	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000375503894	533205068	/nfs/dbraw/zinc/20/50/68/533205068.db2.gz	AJUJMYQRZKQFES-RKDXNWHRSA-N	0	1	232.287	0.438	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2cnn[nH]2)cc1	ZINC000047829873	387021124	/nfs/dbraw/zinc/02/11/24/387021124.db2.gz	LIEPVPFIIAIUTP-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
CCCCN(CCOC)CC(=O)NCC#N	ZINC000068852507	387108875	/nfs/dbraw/zinc/10/88/75/387108875.db2.gz	RCTGUFAMXGUBBK-UHFFFAOYSA-N	0	1	227.308	0.375	20	30		BCEDMN
C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1	ZINC000359515287	387116088	/nfs/dbraw/zinc/11/60/88/387116088.db2.gz	NFIFANXYIVPYQA-GHMZBOCLSA-N	0	1	226.320	0.917	20	30		BCEDMN
Cc1onc(CC(=O)N2CC(N(C)C)C2)c1C#N	ZINC000354629183	387126527	/nfs/dbraw/zinc/12/65/27/387126527.db2.gz	LINGLJFUZYDNDM-UHFFFAOYSA-N	0	1	248.286	0.170	20	30		BCEDMN
C=CCCn1cc(C(=O)N2CC(N(C)C)C2)nn1	ZINC000424750110	387274995	/nfs/dbraw/zinc/27/49/95/387274995.db2.gz	RWBRXWAVNBMNNS-UHFFFAOYSA-N	0	1	249.318	0.240	20	30		BCEDMN
C[C@@H](CCC#N)N[C@H](CO)c1cnn(C)c1	ZINC000514733046	387282969	/nfs/dbraw/zinc/28/29/69/387282969.db2.gz	HNIFHDUGDMVIOE-GXSJLCMTSA-N	0	1	222.292	0.735	20	30		BCEDMN
C#CCCN1CCN(C(=O)c2cnc[nH]2)CC1	ZINC000263662835	387384749	/nfs/dbraw/zinc/38/47/49/387384749.db2.gz	JAIOEWVHQHLLRU-UHFFFAOYSA-N	0	1	232.287	0.191	20	30		BCEDMN
N#CCC1(CN2CCOC[C@@H](O)C2)CC1	ZINC000399890055	387331465	/nfs/dbraw/zinc/33/14/65/387331465.db2.gz	IZSNAESZADHPJD-JTQLQIEISA-N	0	1	210.277	0.373	20	30		BCEDMN
COCCO[C@H]1COCC[C@H]1NCCC#N	ZINC000515166851	387341971	/nfs/dbraw/zinc/34/19/71/387341971.db2.gz	LEBDEALDMPNVSI-MNOVXSKESA-N	0	1	228.292	0.310	20	30		BCEDMN
C#CCN1CCC([C@@H](O)c2nccn2C)CC1	ZINC000269736232	387423775	/nfs/dbraw/zinc/42/37/75/387423775.db2.gz	ZWIPEFSANBMVFZ-GFCCVEGCSA-N	0	1	233.315	0.799	20	30		BCEDMN
CC[C@@H](CC#N)NCCC(=O)NC(=O)NC	ZINC000515497250	387390176	/nfs/dbraw/zinc/39/01/76/387390176.db2.gz	VOUFGRCDRMGCIT-QMMMGPOBSA-N	0	1	226.280	0.114	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1	ZINC000267625697	387410347	/nfs/dbraw/zinc/41/03/47/387410347.db2.gz	FPXJMSPVCVVBMH-AXFHLTTASA-N	0	1	208.305	0.712	20	30		BCEDMN
C[C@H](C[NH+](C)C)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000346229244	387517598	/nfs/dbraw/zinc/51/75/98/387517598.db2.gz	RZFJBEXWOFRNCD-SECBINFHSA-N	0	1	247.298	0.944	20	30		BCEDMN
CC#CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000527531878	387604392	/nfs/dbraw/zinc/60/43/92/387604392.db2.gz	FRISWVLTDPSFET-UHIISALHSA-N	0	1	211.330	0.995	20	30		BCEDMN
CNC(=O)[C@@]1(C)CCN(C[C@H](C#N)CCC#N)C1	ZINC000430270569	387604635	/nfs/dbraw/zinc/60/46/35/387604635.db2.gz	RYSGNHHXTOCNGA-AAEUAGOBSA-N	0	1	248.330	0.888	20	30		BCEDMN
C[C@H](NCc1cc(C#N)n(C)c1)C(=O)N(C)C	ZINC000191733909	387823265	/nfs/dbraw/zinc/82/32/65/387823265.db2.gz	JXDZMRDEVVEVPA-VIFPVBQESA-N	0	1	234.303	0.463	20	30		BCEDMN
C[C@@H](C#N)C(=O)Nc1nc(-c2ccncc2)n[nH]1	ZINC000433094592	387863688	/nfs/dbraw/zinc/86/36/88/387863688.db2.gz	VKHUZKVNQVXFLY-ZETCQYMHSA-N	0	1	242.242	0.965	20	30		BCEDMN
C[C@H](C#N)C(=O)Nc1nc(-c2ccncc2)n[nH]1	ZINC000433094590	387863967	/nfs/dbraw/zinc/86/39/67/387863967.db2.gz	VKHUZKVNQVXFLY-SSDOTTSWSA-N	0	1	242.242	0.965	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCO1	ZINC000245384000	387942591	/nfs/dbraw/zinc/94/25/91/387942591.db2.gz	SVIQARWVTKJAOQ-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
CCOC(=O)CN(CC)C(=O)C(C)C#N	ZINC000044826654	387944233	/nfs/dbraw/zinc/94/42/33/387944233.db2.gz	MSQKIZOAIXNMMA-QMMMGPOBSA-N	0	1	212.249	0.558	20	30		BCEDMN
C=CC1CCN(C(=O)[C@@H](N)CC(=O)OC)CC1	ZINC000423175672	387962302	/nfs/dbraw/zinc/96/23/02/387962302.db2.gz	FJKHEPMAIAOBIV-JTQLQIEISA-N	0	1	240.303	0.301	20	30		BCEDMN
Cc1nnc(SCC(=O)N(C)CC#N)[nH]1	ZINC000266788529	135148901	/nfs/dbraw/zinc/14/89/01/135148901.db2.gz	XRHUYBXBBOPQRF-UHFFFAOYSA-N	0	1	225.277	0.187	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N(C)CC#N)n1	ZINC000266788529	135148902	/nfs/dbraw/zinc/14/89/02/135148902.db2.gz	XRHUYBXBBOPQRF-UHFFFAOYSA-N	0	1	225.277	0.187	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(CCO)CC1	ZINC000401156851	388095381	/nfs/dbraw/zinc/09/53/81/388095381.db2.gz	RMCHUIYSBBDBPL-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
CC(C)OCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000592354956	388157398	/nfs/dbraw/zinc/15/73/98/388157398.db2.gz	IJVFAPNJHXXYNN-UHFFFAOYSA-N	0	1	237.259	0.223	20	30		BCEDMN
CC[C@@H](C)N(CC(=O)OC)C(=O)C(C)C#N	ZINC000456062015	388172274	/nfs/dbraw/zinc/17/22/74/388172274.db2.gz	GNRPPLZJZSCPTJ-RKDXNWHRSA-N	0	1	226.276	0.946	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CCOC(C)C	ZINC000490739588	388251921	/nfs/dbraw/zinc/25/19/21/388251921.db2.gz	FDXVHPDYELEDFY-CYBMUJFWSA-N	0	1	223.316	0.731	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2CCCCC2)CC1	ZINC000490741268	388252071	/nfs/dbraw/zinc/25/20/71/388252071.db2.gz	QCJGONMVQLPPEX-UHFFFAOYSA-N	0	1	249.358	0.250	20	30		BCEDMN
C#CCN(CC)C(=O)CCc1nc[nH]n1	ZINC000490778876	388254323	/nfs/dbraw/zinc/25/43/23/388254323.db2.gz	NNEZYULPJBEMNV-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)COCC=C	ZINC000490873383	388257591	/nfs/dbraw/zinc/25/75/91/388257591.db2.gz	IYHVSEBMMGUMGJ-GFCCVEGCSA-N	0	1	237.299	0.830	20	30		BCEDMN
C#CCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000490893156	388258353	/nfs/dbraw/zinc/25/83/53/388258353.db2.gz	RPRYTYBAQXBCQQ-QWRGUYRKSA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000456779244	388221319	/nfs/dbraw/zinc/22/13/19/388221319.db2.gz	PJJAJUTVVIAANY-SECBINFHSA-N	0	1	249.314	0.955	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(COC)CC1	ZINC000490652434	388245574	/nfs/dbraw/zinc/24/55/74/388245574.db2.gz	XJQNSGVGJJSGHF-NSHDSACASA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCOC)CC1	ZINC000490655543	388246014	/nfs/dbraw/zinc/24/60/14/388246014.db2.gz	AWHPHMHHCQDMQL-UHFFFAOYSA-N	0	1	225.288	0.521	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@@H](C)S[C@H](C)C1	ZINC000490678306	388246799	/nfs/dbraw/zinc/24/67/99/388246799.db2.gz	NFTNWGYTFODZBI-MXWKQRLJSA-N	0	1	240.372	0.950	20	30		BCEDMN
C#CCN(CC#CC)CCC(=O)N(C)C	ZINC000490697300	388248085	/nfs/dbraw/zinc/24/80/85/388248085.db2.gz	KGVRLFAQCLOKME-UHFFFAOYSA-N	0	1	206.289	0.423	20	30		BCEDMN
C#CCN1CC[C@H](CN2CCOC2=O)C1	ZINC000491299013	388283980	/nfs/dbraw/zinc/28/39/80/388283980.db2.gz	XUZAGJMKWIJBQP-JTQLQIEISA-N	0	1	208.261	0.394	20	30		BCEDMN
C#CCN1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C	ZINC000491338903	388286507	/nfs/dbraw/zinc/28/65/07/388286507.db2.gz	MJVKAIHCLJYMTB-LLVKDONJSA-N	0	1	246.314	0.498	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CN(C)[C@@H]1CCSC1	ZINC000491405404	388292600	/nfs/dbraw/zinc/29/26/00/388292600.db2.gz	IPSLDHMIFKRMNE-GHMZBOCLSA-N	0	1	240.372	0.904	20	30		BCEDMN
C#CCNN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000491418316	388293440	/nfs/dbraw/zinc/29/34/40/388293440.db2.gz	QNOKMZUYDAOOHK-UHFFFAOYSA-N	0	1	216.166	0.985	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@@H](C)N1CC(C)C1	ZINC000491484736	388295169	/nfs/dbraw/zinc/29/51/69/388295169.db2.gz	KTEMTFISESKMSN-GHMZBOCLSA-N	0	1	208.305	0.807	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCC(=C)C)CC1	ZINC000491494638	388298749	/nfs/dbraw/zinc/29/87/49/388298749.db2.gz	DMWMAMJQRZELTH-UHFFFAOYSA-N	0	1	236.315	0.956	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccc(C)cc1	ZINC000491525633	388301122	/nfs/dbraw/zinc/30/11/22/388301122.db2.gz	TYGRKXGROWDYAM-STQMWFEESA-N	0	1	219.284	0.612	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C	ZINC000491626044	388305837	/nfs/dbraw/zinc/30/58/37/388305837.db2.gz	IFAVZWDDCYQSFR-IWSPIJDZSA-N	0	1	224.260	0.816	20	30		BCEDMN
C#C[C@@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O	ZINC000491631907	388306687	/nfs/dbraw/zinc/30/66/87/388306687.db2.gz	QLHBHFOTGAUXNX-SECBINFHSA-N	0	1	237.303	0.270	20	30		BCEDMN
C#CCNC(=O)CCN1CCC(=O)CC12CCC2	ZINC000491692592	388311515	/nfs/dbraw/zinc/31/15/15/388311515.db2.gz	HQKQDVCVHLHXAU-UHFFFAOYSA-N	0	1	248.326	0.714	20	30		BCEDMN
C#C[C@H](NC(=O)N1CCN[C@@H](C)C1)C(C)C	ZINC000491730787	388315688	/nfs/dbraw/zinc/31/56/88/388315688.db2.gz	HYPSTIYXJNKNCL-QWRGUYRKSA-N	0	1	223.320	0.648	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CN(CC)C1CC1	ZINC000491748046	388317291	/nfs/dbraw/zinc/31/72/91/388317291.db2.gz	OBSCPDGTAKVHCL-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2	ZINC000491760141	388318703	/nfs/dbraw/zinc/31/87/03/388318703.db2.gz	PLCSRPLAZHHDMU-FRRDWIJNSA-N	0	1	249.358	0.293	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CF	ZINC000491777112	388319830	/nfs/dbraw/zinc/31/98/30/388319830.db2.gz	FTCCQHBNEWAWCK-UHFFFAOYSA-N	0	1	243.326	0.989	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000491818673	388323593	/nfs/dbraw/zinc/32/35/93/388323593.db2.gz	ZHVOHTPHLHHLBW-LLVKDONJSA-N	0	1	223.320	0.601	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000491820069	388323795	/nfs/dbraw/zinc/32/37/95/388323795.db2.gz	WRWCFRLTLRPPGN-IWSPIJDZSA-N	0	1	210.233	0.570	20	30		BCEDMN
C#CCNC(=O)NCCN1CC=C(C)CC1	ZINC000490950109	388261313	/nfs/dbraw/zinc/26/13/13/388261313.db2.gz	OMLPZFQSTLFNRI-UHFFFAOYSA-N	0	1	221.304	0.571	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)NC(C)(C)c1cnn(C)c1	ZINC000491024005	388265799	/nfs/dbraw/zinc/26/57/99/388265799.db2.gz	ZXHYQYBILFGYKG-SNVBAGLBSA-N	0	1	248.330	0.383	20	30		BCEDMN
C#CCN1CCC(C(=O)OCc2cn[nH]c2)CC1	ZINC000491095484	388269325	/nfs/dbraw/zinc/26/93/25/388269325.db2.gz	LFTKKKZINILRON-UHFFFAOYSA-N	0	1	247.298	0.798	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(CC)C[C@H]1CCCO1	ZINC000491166902	388274109	/nfs/dbraw/zinc/27/41/09/388274109.db2.gz	VCKMCJIKZMEIFC-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](C(C)C)C1	ZINC000491165678	388274340	/nfs/dbraw/zinc/27/43/40/388274340.db2.gz	MVMFRPLRXMCZRD-GFCCVEGCSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCN1C[C@@H](C(=O)OCC)C2(COC2)C1	ZINC000491255147	388280642	/nfs/dbraw/zinc/28/06/42/388280642.db2.gz	WESBIAKBVYTQBG-JTQLQIEISA-N	0	1	223.272	0.131	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@H](C)c2nnc[nH]2)nn1	ZINC000648804690	388380296	/nfs/dbraw/zinc/38/02/96/388380296.db2.gz	TVZVJORFJKQFDP-SSDOTTSWSA-N	0	1	247.262	0.073	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(C#N)cc1	ZINC000236664225	388381723	/nfs/dbraw/zinc/38/17/23/388381723.db2.gz	LXCAZWMISXNGEY-UHFFFAOYSA-N	0	1	229.283	0.950	20	30		BCEDMN
CN(C)C1CN(c2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000271695071	388399332	/nfs/dbraw/zinc/39/93/32/388399332.db2.gz	ASPFMXFHJIMSDG-UHFFFAOYSA-N	0	1	247.258	0.612	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCC)CC1	ZINC000072015426	388454057	/nfs/dbraw/zinc/45/40/57/388454057.db2.gz	JGQRKXUSAHYWFS-UHFFFAOYSA-N	0	1	210.277	0.399	20	30		BCEDMN
Cn1cnc(CCNCc2ccc(C#N)o2)n1	ZINC000122963589	388591203	/nfs/dbraw/zinc/59/12/03/388591203.db2.gz	RTIGEEKFCBOBSR-UHFFFAOYSA-N	0	1	231.259	0.612	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1cnc(C#N)cn1	ZINC000355512912	388602667	/nfs/dbraw/zinc/60/26/67/388602667.db2.gz	KSPSXHHMSABRIU-UHFFFAOYSA-N	0	1	215.220	0.103	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)N(C)CC1CN(C)C1	ZINC000598158282	388561336	/nfs/dbraw/zinc/56/13/36/388561336.db2.gz	DZAINBVBYPAXIR-UHFFFAOYSA-N	0	1	246.314	0.828	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000551046735	388619763	/nfs/dbraw/zinc/61/97/63/388619763.db2.gz	MWLVEHLATLSEHK-LLVKDONJSA-N	0	1	239.363	0.703	20	30		BCEDMN
CNC(=O)CN(C)CCCSCC#N	ZINC000342164653	135251235	/nfs/dbraw/zinc/25/12/35/135251235.db2.gz	FZBSEAZXEOCIAW-UHFFFAOYSA-N	0	1	215.322	0.311	20	30		BCEDMN
CO[C@]1(CNCC(C)(C)C#N)CCOC1	ZINC000405100519	388638080	/nfs/dbraw/zinc/63/80/80/388638080.db2.gz	MIVWFKITUTUZQX-NSHDSACASA-N	0	1	212.293	0.931	20	30		BCEDMN
COC(=O)[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1	ZINC000276757751	388741918	/nfs/dbraw/zinc/74/19/18/388741918.db2.gz	MGBJTBHBJWOIEU-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccnc(C#N)c3)C[C@@H]21	ZINC000329363199	388746407	/nfs/dbraw/zinc/74/64/07/388746407.db2.gz	HNMWEYFIVHYESD-STQMWFEESA-N	0	1	244.298	0.472	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccnc(C#N)c2)C1	ZINC000281109838	388792094	/nfs/dbraw/zinc/79/20/94/388792094.db2.gz	HIDRGNTZDRGLFM-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
C[C@@H]1CN(CCCCC#N)C[C@@H](CO)O1	ZINC000229962760	388806059	/nfs/dbraw/zinc/80/60/59/388806059.db2.gz	AOBMXPPSHVKFSH-MNOVXSKESA-N	0	1	212.293	0.762	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@H](C)[C@H](OC)C1	ZINC000251920392	388758898	/nfs/dbraw/zinc/75/88/98/388758898.db2.gz	SIURKLSFNPOYBO-SDDRHHMPSA-N	0	1	238.331	0.481	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N2CCOC[C@@H]2C#N)C1	ZINC000553492978	388778147	/nfs/dbraw/zinc/77/81/47/388778147.db2.gz	MSDPLPGMGKZOFG-MNOVXSKESA-N	0	1	237.303	0.079	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2cc(C#N)ncn2)CCN1C	ZINC000555804966	388824735	/nfs/dbraw/zinc/82/47/35/388824735.db2.gz	YQOSGJJUGAILNR-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C#CCNC(=O)[C@@H](N)c1ccc(C)cc1	ZINC000230797494	388830079	/nfs/dbraw/zinc/83/00/79/388830079.db2.gz	RXVGEMVSRRDMPU-NSHDSACASA-N	0	1	202.257	0.744	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)CN(CC)C1CC1	ZINC000649185085	388896348	/nfs/dbraw/zinc/89/63/48/388896348.db2.gz	XFALXIDWLZRWML-NSHDSACASA-N	0	1	238.331	0.361	20	30		BCEDMN
CCN1C[C@H](C)N(C(=O)CC#N)[C@@H](C)C1	ZINC000565208378	388922740	/nfs/dbraw/zinc/92/27/40/388922740.db2.gz	IFNBYNXDBMMQGI-UWVGGRQHSA-N	0	1	209.293	0.841	20	30		BCEDMN
C#C[C@H](C)NCc1cnc(-c2cnn(C)c2)nc1	ZINC000377617217	533297776	/nfs/dbraw/zinc/29/77/76/533297776.db2.gz	AGPKFTZSLFHXFV-JTQLQIEISA-N	0	1	241.298	0.988	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC[C@H]1CCCO1	ZINC000181245253	533495654	/nfs/dbraw/zinc/49/56/54/533495654.db2.gz	QWNGHPPIPVKPIN-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
CCN1CCN(c2cnc(C#N)cn2)[C@@H](C)C1	ZINC000286319346	132214280	/nfs/dbraw/zinc/21/42/80/132214280.db2.gz	KUFVWSYEEOIPCX-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1CN(c2ccc(C#N)nc2)CCN1CCO	ZINC000302451543	132263753	/nfs/dbraw/zinc/26/37/53/132263753.db2.gz	SHYKEXOXLOZBOI-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
CN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCNC1=O	ZINC000332676470	134006022	/nfs/dbraw/zinc/00/60/22/134006022.db2.gz	ROQSIYOTQSURTP-IVZWLZJFSA-N	0	1	207.277	0.499	20	30		BCEDMN
C=CCCN1CCCN(S(C)(=O)=O)CC1	ZINC000335926529	134008998	/nfs/dbraw/zinc/00/89/98/134008998.db2.gz	JEEIEAQMMGZWTC-UHFFFAOYSA-N	0	1	232.349	0.530	20	30		BCEDMN
CCN(CC(=O)N(CC)CCC#N)C[C@@H](C)O	ZINC000352204182	134103948	/nfs/dbraw/zinc/10/39/48/134103948.db2.gz	WTCODZMKMFNGMS-LLVKDONJSA-N	0	1	241.335	0.451	20	30		BCEDMN
CO[C@H]1C[C@@H](C(=O)NCCCCC#N)N(C)C1	ZINC000330558003	134111195	/nfs/dbraw/zinc/11/11/95/134111195.db2.gz	WYCADOTXLBIQBT-QWRGUYRKSA-N	0	1	239.319	0.516	20	30		BCEDMN
CN(C)C(=O)CN(C)[C@@H]1CC[C@@H](C#N)C1	ZINC000336327860	134143776	/nfs/dbraw/zinc/14/37/76/134143776.db2.gz	YMAXLZNYRVMUKN-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C=CCN(CC(F)(F)F)C(=O)[C@@H](N)COC	ZINC000357119328	134182364	/nfs/dbraw/zinc/18/23/64/134182364.db2.gz	OFGLDUPKDTWXQE-ZETCQYMHSA-N	0	1	240.225	0.537	20	30		BCEDMN
CC(C#N)C(=O)N(C)CC(=O)OC(C)(C)C	ZINC000357815583	134185465	/nfs/dbraw/zinc/18/54/65/134185465.db2.gz	YIZHRLNYAQFMCY-MRVPVSSYSA-N	0	1	226.276	0.946	20	30		BCEDMN
N#CCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000357934074	134186192	/nfs/dbraw/zinc/18/61/92/134186192.db2.gz	KNENRZLDYWLYKF-SECBINFHSA-N	0	1	247.302	0.870	20	30		BCEDMN
O=C(NCC#Cc1ccccc1)c1ncn[nH]1	ZINC000358442612	134188265	/nfs/dbraw/zinc/18/82/65/134188265.db2.gz	DALCTTGRSZVOMP-UHFFFAOYSA-N	0	1	226.239	0.586	20	30		BCEDMN
O=C(NCC#Cc1ccccc1)c1nc[nH]n1	ZINC000358442612	134188266	/nfs/dbraw/zinc/18/82/66/134188266.db2.gz	DALCTTGRSZVOMP-UHFFFAOYSA-N	0	1	226.239	0.586	20	30		BCEDMN
C=CCOC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000360727212	134201851	/nfs/dbraw/zinc/20/18/51/134201851.db2.gz	VBLHRAJDGLLYBR-DTWKUNHWSA-N	0	1	240.259	0.006	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@](CO)(CCC)C1	ZINC000367983351	134216784	/nfs/dbraw/zinc/21/67/84/134216784.db2.gz	OTBZLSGMIOAWGS-ZDUSSCGKSA-N	0	1	240.347	0.773	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@@H]2CCOC(=O)[C@H]21	ZINC000368376491	134218479	/nfs/dbraw/zinc/21/84/79/134218479.db2.gz	FHGTVXLDWCJWLY-WOPDTQHZSA-N	0	1	239.315	0.951	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCOC[C@H](C)C1	ZINC000371097928	134227270	/nfs/dbraw/zinc/22/72/70/134227270.db2.gz	DQDMPAJRBDKFQP-MNOVXSKESA-N	0	1	224.304	0.093	20	30		BCEDMN
CN1C[C@@H]2CN(CCCCC#N)CCN2C1=O	ZINC000373233108	134233470	/nfs/dbraw/zinc/23/34/70/134233470.db2.gz	VQGNDGHDERPNRH-LLVKDONJSA-N	0	1	236.319	0.732	20	30		BCEDMN
C=CCCCN1CCN2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000375874835	134240932	/nfs/dbraw/zinc/24/09/32/134240932.db2.gz	RWLTVSZOGNLPJT-JTQLQIEISA-N	0	1	237.303	0.531	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCNC(=O)[C@@H]1CCC	ZINC000305710052	134242202	/nfs/dbraw/zinc/24/22/02/134242202.db2.gz	DWQLPOPAAOYERM-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
CCN(CCO)CC(=O)N(CC)C[C@H](C)C#N	ZINC000123068023	134242479	/nfs/dbraw/zinc/24/24/79/134242479.db2.gz	YFTZRFOZXAKVTL-LLVKDONJSA-N	0	1	241.335	0.309	20	30		BCEDMN
CO/N=C/C(=O)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000377717120	134244728	/nfs/dbraw/zinc/24/47/28/134244728.db2.gz	NEAHFKMPSXMVRK-BWJGRMQRSA-N	0	1	237.263	0.143	20	30		BCEDMN
C#CCOCCC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000378316039	134245851	/nfs/dbraw/zinc/24/58/51/134245851.db2.gz	PORNFPJHWXTBQB-JTQLQIEISA-N	0	1	247.298	0.423	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1cnn(CC)c1	ZINC000180038234	134325743	/nfs/dbraw/zinc/32/57/43/134325743.db2.gz	ROCOYSRDSLMSFE-JTQLQIEISA-N	0	1	236.319	0.856	20	30		BCEDMN
C[C@@H](C#N)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000181848109	134340226	/nfs/dbraw/zinc/34/02/26/134340226.db2.gz	NUXMSVUUISCAQC-LBPRGKRZSA-N	0	1	247.346	0.840	20	30		BCEDMN
C=CCSCCNC(=O)c1ncn[nH]1	ZINC000227607491	134388542	/nfs/dbraw/zinc/38/85/42/134388542.db2.gz	WJBCWFLHSPNQFF-UHFFFAOYSA-N	0	1	212.278	0.454	20	30		BCEDMN
C=CCSCCNC(=O)c1nc[nH]n1	ZINC000227607491	134388544	/nfs/dbraw/zinc/38/85/44/134388544.db2.gz	WJBCWFLHSPNQFF-UHFFFAOYSA-N	0	1	212.278	0.454	20	30		BCEDMN
C=CCN1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000052134086	134697091	/nfs/dbraw/zinc/69/70/91/134697091.db2.gz	RKIWILUJFKILBY-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
C=CCN1CC[C@H](N(CCOC)C2CC2)C1=O	ZINC000337127606	135000145	/nfs/dbraw/zinc/00/01/45/135000145.db2.gz	GYFRHOCCRXHRCL-LBPRGKRZSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC[C@@H](OC)C2)C1=O	ZINC000337136970	135001963	/nfs/dbraw/zinc/00/19/63/135001963.db2.gz	NPSNZWZXNOTUEG-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@H](C)[C@H](O)C2)C1=O	ZINC000337170748	135002555	/nfs/dbraw/zinc/00/25/55/135002555.db2.gz	DDAAIHOADSYMLQ-SDDRHHMPSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCN1CC[C@@H](N[C@H](C)c2cn[nH]c2)C1=O	ZINC000337198999	135005210	/nfs/dbraw/zinc/00/52/10/135005210.db2.gz	DNQAAPUXMMSPKS-MWLCHTKSSA-N	0	1	234.303	0.847	20	30		BCEDMN
C[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1	ZINC000076150237	135014828	/nfs/dbraw/zinc/01/48/28/135014828.db2.gz	ZLHFVYXVINNZLU-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H]2COC[C@H](C1)O2	ZINC000338385363	135036401	/nfs/dbraw/zinc/03/64/01/135036401.db2.gz	UOWJHZWILBUXJY-SDDRHHMPSA-N	0	1	227.304	0.413	20	30		BCEDMN
C=CCOCCN1CCN(CCOC)CC1	ZINC000338900776	135046856	/nfs/dbraw/zinc/04/68/56/135046856.db2.gz	OWAMAZMOHTYGJD-UHFFFAOYSA-N	0	1	228.336	0.453	20	30		BCEDMN
C=CCOCCN(C)[C@@H](C)C[S@](C)=O	ZINC000339082357	135057175	/nfs/dbraw/zinc/05/71/75/135057175.db2.gz	CYPQUQKZYBAPFS-HZMBPMFUSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CCOCC[N@H+]1CCc2n[nH]c(=O)cc2C1	ZINC000339089662	135058279	/nfs/dbraw/zinc/05/82/79/135058279.db2.gz	CLBNQGSHYOMOAC-UHFFFAOYSA-N	0	1	235.287	0.743	20	30		BCEDMN
C[C@@]1(C(N)=O)CCCC[N@H+]1CCOCCC#N	ZINC000339090279	135058564	/nfs/dbraw/zinc/05/85/64/135058564.db2.gz	VNTGOTXESTYAQM-LBPRGKRZSA-N	0	1	239.319	0.647	20	30		BCEDMN
C[C@@]1(C(N)=O)CCCCN1CCOCCC#N	ZINC000339090279	135058565	/nfs/dbraw/zinc/05/85/65/135058565.db2.gz	VNTGOTXESTYAQM-LBPRGKRZSA-N	0	1	239.319	0.647	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N1CCC[C@H]1CN(C)C	ZINC000251021267	135062028	/nfs/dbraw/zinc/06/20/28/135062028.db2.gz	DIYZZXMJRNIOCY-UWVGGRQHSA-N	0	1	245.348	0.254	20	30		BCEDMN
C=CCOCCN1CCC[C@@](F)(CO)C1	ZINC000339198770	135065224	/nfs/dbraw/zinc/06/52/24/135065224.db2.gz	NQEHIQDTIUMUFS-NSHDSACASA-N	0	1	217.284	0.985	20	30		BCEDMN
C=CCOCCN1CCOC[C@@H]1CCOC	ZINC000339208510	135066457	/nfs/dbraw/zinc/06/64/57/135066457.db2.gz	JGYSNKWDKUKDGT-LBPRGKRZSA-N	0	1	229.320	0.926	20	30		BCEDMN
C=CCOCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C	ZINC000339475674	135074144	/nfs/dbraw/zinc/07/41/44/135074144.db2.gz	ZTTGDZNWHNFSKY-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(CC)[C@@H](C)CO	ZINC000339628137	135076582	/nfs/dbraw/zinc/07/65/82/135076582.db2.gz	REWCFEQMSFLORU-NSHDSACASA-N	0	1	241.335	0.451	20	30		BCEDMN
N#CCN(CC#N)C(=O)c1ccc2cncn2c1	ZINC000339818411	135083268	/nfs/dbraw/zinc/08/32/68/135083268.db2.gz	AQUTVUPVNRWVCV-UHFFFAOYSA-N	0	1	239.238	0.824	20	30		BCEDMN
CN(CC#N)C(=O)CN(C)[C@@H]1CCSC1	ZINC000339981968	135092524	/nfs/dbraw/zinc/09/25/24/135092524.db2.gz	QJEPXVGJQDBSFR-SECBINFHSA-N	0	1	227.333	0.406	20	30		BCEDMN
Cc1[nH]nc(C(=O)N(CC#N)C2CC2)c1[N+](=O)[O-]	ZINC000264260774	135137074	/nfs/dbraw/zinc/13/70/74/135137074.db2.gz	PJTYTLLTAXSKMW-UHFFFAOYSA-N	0	1	249.230	0.755	20	30		BCEDMN
C=CCN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000121359039	135222956	/nfs/dbraw/zinc/22/29/56/135222956.db2.gz	ODBSKJQXUFAIRW-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC#CCN(C)C(=O)[C@H]1CN(C(C)C)CCO1	ZINC000341002215	135232015	/nfs/dbraw/zinc/23/20/15/135232015.db2.gz	DANWAVQWAKBACB-GFCCVEGCSA-N	0	1	238.331	0.577	20	30		BCEDMN
CC#CCN(C)C(=O)CN(C)[C@H]1CCSC1	ZINC000341022108	135233218	/nfs/dbraw/zinc/23/32/18/135233218.db2.gz	DFUFWKAMOOYEAN-NSHDSACASA-N	0	1	240.372	0.905	20	30		BCEDMN
CC#CCN(C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000341017736	135233249	/nfs/dbraw/zinc/23/32/49/135233249.db2.gz	IZWFVOWIQMSIKB-LBPRGKRZSA-N	0	1	238.331	0.436	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@H]1[C@H]1CCCO1	ZINC000342043390	135246580	/nfs/dbraw/zinc/24/65/80/135246580.db2.gz	GNNNHBQLSMXVFQ-WDEREUQCSA-N	0	1	237.303	0.270	20	30		BCEDMN
C[C@@H]1COCCN1CCN[C@H]1CCC[C@H]1C#N	ZINC000342507950	135285105	/nfs/dbraw/zinc/28/51/05/135285105.db2.gz	ZYWUDCBNTQQXJO-AGIUHOORSA-N	0	1	237.347	0.989	20	30		BCEDMN
C=CCNC(=O)CN(C)CC[C@@H]1CCCO1	ZINC000342612645	135304113	/nfs/dbraw/zinc/30/41/13/135304113.db2.gz	YJSZDENZDPMWCP-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000342689249	135305924	/nfs/dbraw/zinc/30/59/24/135305924.db2.gz	NQEWNJFUVYSMOG-ZETCQYMHSA-N	0	1	223.280	0.913	20	30		BCEDMN
C[C@H]1C[NH+]=C(NCc2ncccc2[O-])N1	ZINC000262686221	135313877	/nfs/dbraw/zinc/31/38/77/135313877.db2.gz	YMCNUXWNYWSXHV-ZETCQYMHSA-N	0	1	206.249	0.225	20	30		BCEDMN
CCc1nc([C@@H](C)NC(=O)[C@H](C)C#N)n[nH]1	ZINC000343006217	135344727	/nfs/dbraw/zinc/34/47/27/135344727.db2.gz	YUSDDXSWYRQENI-RNFRBKRXSA-N	0	1	221.264	0.704	20	30		BCEDMN
CCc1nc([C@@H](C)NC(=O)[C@@H](C)C#N)n[nH]1	ZINC000343006216	135344827	/nfs/dbraw/zinc/34/48/27/135344827.db2.gz	YUSDDXSWYRQENI-NKWVEPMBSA-N	0	1	221.264	0.704	20	30		BCEDMN
C[C@H](O)C[C@H](C)CNC(=O)c1cnn[nH]1	ZINC000330850973	135393665	/nfs/dbraw/zinc/39/36/65/135393665.db2.gz	FDRSZXIHPVWXBA-BQBZGAKWSA-N	0	1	212.253	0.516	20	30		BCEDMN
Cc1ncc(C(=O)N(C)C[C@@H](C)C#N)[nH]1	ZINC000330445738	135477130	/nfs/dbraw/zinc/47/71/30/135477130.db2.gz	HHBRHKILISYQTB-ZETCQYMHSA-N	0	1	206.249	0.950	20	30		BCEDMN
N#C[C@@H]1CN(C(=O)NCCn2ccnc2)CCO1	ZINC000330642646	135481195	/nfs/dbraw/zinc/48/11/95/135481195.db2.gz	FCXCDPLJTXWAOJ-SNVBAGLBSA-N	0	1	249.274	0.021	20	30		BCEDMN
Cc1ncncc1C(=O)N[C@H](C)c1nnc[nH]1	ZINC000330722697	135486152	/nfs/dbraw/zinc/48/61/52/135486152.db2.gz	COBLSIWYCPSEMM-SSDOTTSWSA-N	0	1	232.247	0.969	20	30		BCEDMN
C[C@@H](C#N)NC(=O)CCCCc1cn[nH]n1	ZINC000330804908	135488308	/nfs/dbraw/zinc/48/83/08/135488308.db2.gz	BRCJEDDFSQFOHY-QMMMGPOBSA-N	0	1	221.264	0.546	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000290433557	135638048	/nfs/dbraw/zinc/63/80/48/135638048.db2.gz	ANROBJQOEMBHEM-BDAKNGLRSA-N	0	1	235.287	0.493	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN1CCN(CC)CC1	ZINC000345173568	135887967	/nfs/dbraw/zinc/88/79/67/135887967.db2.gz	HPTBCPQDDQKKLZ-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
N#CCc1ccc(CNC2(C(N)=O)CC2)cc1	ZINC000347810929	136013193	/nfs/dbraw/zinc/01/31/93/136013193.db2.gz	VAOYVTMYGCWBIO-UHFFFAOYSA-N	0	1	229.283	0.860	20	30		BCEDMN
C=CCOCCCN1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000348027836	136026739	/nfs/dbraw/zinc/02/67/39/136026739.db2.gz	FWUGQOJLZVYLGV-MNOVXSKESA-N	0	1	242.319	0.154	20	30		BCEDMN
C=CCOCCCN1CCN2C(=O)CC[C@@H]2C1	ZINC000348053434	136031705	/nfs/dbraw/zinc/03/17/05/136031705.db2.gz	VJGOBKUOOICOIY-GFCCVEGCSA-N	0	1	238.331	0.886	20	30		BCEDMN
C#CCN(CC#C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000490778553	397769003	/nfs/dbraw/zinc/76/90/03/397769003.db2.gz	HFNUBTMJLITTSY-BETUJISGSA-N	0	1	232.327	0.954	20	30		BCEDMN
C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)N(C)C	ZINC000589981344	397811557	/nfs/dbraw/zinc/81/15/57/397811557.db2.gz	KGVRVRQRBVUWSO-GZMMTYOYSA-N	0	1	209.293	0.745	20	30		BCEDMN
C#CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000491748979	397867142	/nfs/dbraw/zinc/86/71/42/397867142.db2.gz	FMOFYHYDNFWKDT-SNVBAGLBSA-N	0	1	209.293	0.355	20	30		BCEDMN
CCOC[C@H](O)CNCc1ccc(C#N)o1	ZINC000336645189	397948794	/nfs/dbraw/zinc/94/87/94/397948794.db2.gz	CSAOWWHQTRAVGT-SECBINFHSA-N	0	1	224.260	0.638	20	30		BCEDMN
Cc1ccc(O)c(CN2CC[C@](O)(CC#N)C2)n1	ZINC000592523362	397950888	/nfs/dbraw/zinc/95/08/88/397950888.db2.gz	YZNIRWPZNPVWAU-CYBMUJFWSA-N	0	1	247.298	0.946	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H]1C[C@H](C)n2ccnc21	ZINC000491535143	398047582	/nfs/dbraw/zinc/04/75/82/398047582.db2.gz	AEERLZFVDJVECE-WDEREUQCSA-N	0	1	246.314	0.618	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CN(C)[C@H]1CCSC1	ZINC000491503145	398043486	/nfs/dbraw/zinc/04/34/86/398043486.db2.gz	BDYBPQJMKYSYAG-MNOVXSKESA-N	0	1	240.372	0.952	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CN(C)[C@H]1CCSC1	ZINC000491503146	398043705	/nfs/dbraw/zinc/04/37/05/398043705.db2.gz	BDYBPQJMKYSYAG-QWRGUYRKSA-N	0	1	240.372	0.952	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)[C@H]2CCCO2)CC1	ZINC000040221732	398076373	/nfs/dbraw/zinc/07/63/73/398076373.db2.gz	WSLDGESOYHSXLN-SNVBAGLBSA-N	0	1	237.303	0.270	20	30		BCEDMN
CN(CCc1ccccc1)CC(=O)NCC#N	ZINC000066494866	398124082	/nfs/dbraw/zinc/12/40/82/398124082.db2.gz	BAANKPWEXHTABG-UHFFFAOYSA-N	0	1	231.299	0.801	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN1	ZINC000088059056	322886863	/nfs/dbraw/zinc/88/68/63/322886863.db2.gz	LEMKYVOIJFKPST-SNVBAGLBSA-N	0	1	229.283	0.992	20	30		BCEDMN
C#CCCCN1CC[C@](F)(C(=O)OC)C1	ZINC000270875254	166131013	/nfs/dbraw/zinc/13/10/13/166131013.db2.gz	AIVFUOSBAYPKLQ-LLVKDONJSA-N	0	1	213.252	0.987	20	30		BCEDMN
C#CCNC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000268736210	166179360	/nfs/dbraw/zinc/17/93/60/166179360.db2.gz	VZFHSZMXCZEQRD-SECBINFHSA-N	0	1	218.260	0.720	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cn[nH]c1	ZINC000274136941	166182712	/nfs/dbraw/zinc/18/27/12/166182712.db2.gz	WTNBYJZJWDQSDG-DTWKUNHWSA-N	0	1	220.276	0.198	20	30		BCEDMN
C#CCNC(=O)[C@@](C)(N)c1ccccc1	ZINC000052881292	166183759	/nfs/dbraw/zinc/18/37/59/166183759.db2.gz	GMDBOXASGXLRBF-LBPRGKRZSA-N	0	1	202.257	0.610	20	30		BCEDMN
C#CCOc1ccc(CNCC(=O)NC)cc1	ZINC000265001181	166198725	/nfs/dbraw/zinc/19/87/25/166198725.db2.gz	ZUPSOCCVIDBZRL-UHFFFAOYSA-N	0	1	232.283	0.534	20	30		BCEDMN
C=CCCCN1CCC[C@H](O)[C@@H]1C(=O)OC	ZINC000189595095	166234787	/nfs/dbraw/zinc/23/47/87/166234787.db2.gz	LZZPTKCEBHNAPR-WDEREUQCSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CCN(C)C(=O)N[C@H]1CCN(CCOC)C1	ZINC000274983569	166318155	/nfs/dbraw/zinc/31/81/55/166318155.db2.gz	FTRZLAYHMRWAMG-NSHDSACASA-N	0	1	241.335	0.535	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCO	ZINC000153137391	166329827	/nfs/dbraw/zinc/32/98/27/166329827.db2.gz	YRNPCMKZFLRLDE-LLVKDONJSA-N	0	1	226.320	0.500	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N(C)CCO	ZINC000153137274	166330071	/nfs/dbraw/zinc/33/00/71/166330071.db2.gz	YRNPCMKZFLRLDE-NSHDSACASA-N	0	1	226.320	0.500	20	30		BCEDMN
C=CCN1CCN(CC=C)[C@@H](C(=O)N(C)C)C1	ZINC000268485275	166356397	/nfs/dbraw/zinc/35/63/97/166356397.db2.gz	MJUSOLHXFKLXPT-GFCCVEGCSA-N	0	1	237.347	0.433	20	30		BCEDMN
C=CCNC(=O)CN(CCCCO)C1CC1	ZINC000078801563	166365314	/nfs/dbraw/zinc/36/53/14/166365314.db2.gz	BFQFWLJSFJRRGV-UHFFFAOYSA-N	0	1	226.320	0.526	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](COC)[C@@H]1CCCO1	ZINC000279087933	166370954	/nfs/dbraw/zinc/37/09/54/166370954.db2.gz	OVXJVXGBCWRGOV-QWRGUYRKSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+](C)CCSC	ZINC000361571751	166383284	/nfs/dbraw/zinc/38/32/84/166383284.db2.gz	OIIKYHFODGZXCG-SECBINFHSA-N	0	1	216.350	0.972	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCSC	ZINC000361571751	166383288	/nfs/dbraw/zinc/38/32/88/166383288.db2.gz	OIIKYHFODGZXCG-SECBINFHSA-N	0	1	216.350	0.972	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cnn(C)c1	ZINC000273319781	166381894	/nfs/dbraw/zinc/38/18/94/166381894.db2.gz	QUHRMMQAEOLJRC-VHSXEESVSA-N	0	1	236.319	0.761	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](OC)C1	ZINC000267620981	166381998	/nfs/dbraw/zinc/38/19/98/166381998.db2.gz	DPTWQLXBVTXHNM-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@H](OC)C1	ZINC000267620981	166381999	/nfs/dbraw/zinc/38/19/99/166381999.db2.gz	DPTWQLXBVTXHNM-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1cn[nH]c1	ZINC000273973929	166382947	/nfs/dbraw/zinc/38/29/47/166382947.db2.gz	GWRBWFVPMJLRQM-RKDXNWHRSA-N	0	1	222.292	0.751	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)CCc1c[nH]nn1	ZINC000601027707	410547836	/nfs/dbraw/zinc/54/78/36/410547836.db2.gz	XPBOQKLVPRNVBZ-QMMMGPOBSA-N	0	1	221.264	0.546	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)CCc1cnn[nH]1	ZINC000601027707	410547842	/nfs/dbraw/zinc/54/78/42/410547842.db2.gz	XPBOQKLVPRNVBZ-QMMMGPOBSA-N	0	1	221.264	0.546	20	30		BCEDMN
C=C(C)CN(CC)S(=O)(=O)c1ncc[nH]1	ZINC000308989052	410834367	/nfs/dbraw/zinc/83/43/67/410834367.db2.gz	NCIVEDSFAVLWKJ-UHFFFAOYSA-N	0	1	229.305	0.996	20	30		BCEDMN
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C=CCCn1cc(CNC[C@@H](C)O)nn1	ZINC000657284643	411443257	/nfs/dbraw/zinc/44/32/57/411443257.db2.gz	RPGLVIRUXAJWMI-SECBINFHSA-N	0	1	210.281	0.325	20	30		BCEDMN
C=CCCn1cc(CNCC[C@@H](C)O)nn1	ZINC000657362107	411480051	/nfs/dbraw/zinc/48/00/51/411480051.db2.gz	OUISMNVNMYYAAD-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
Cn1cc(CN[C@@H]2CCCNC2=O)cc1C#N	ZINC000232315081	411494959	/nfs/dbraw/zinc/49/49/59/411494959.db2.gz	RSIBZIIYLNXZGT-LLVKDONJSA-N	0	1	232.287	0.265	20	30		BCEDMN
CCOC(=O)CN(C(=O)C(C)C#N)C1CC1	ZINC000044827247	170212325	/nfs/dbraw/zinc/21/23/25/170212325.db2.gz	YNYIJEBOOYTGRV-QMMMGPOBSA-N	0	1	224.260	0.700	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(CC)nc1	ZINC000657791324	411597508	/nfs/dbraw/zinc/59/75/08/411597508.db2.gz	BNXAGEGUEFRUTG-SNVBAGLBSA-N	0	1	207.277	0.676	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn2c1CCC2	ZINC000657793695	411598570	/nfs/dbraw/zinc/59/85/70/411598570.db2.gz	JXNNIODZZIVHOR-SNVBAGLBSA-N	0	1	207.277	0.466	20	30		BCEDMN
C=C[C@H](CO)NCc1ccnn1CC1CC1	ZINC000657793153	411598735	/nfs/dbraw/zinc/59/87/35/411598735.db2.gz	FZKVRYUKFKNUIU-LLVKDONJSA-N	0	1	221.304	0.930	20	30		BCEDMN
Cc1ccc(NC[C@H]2COCCN2)nc1C#N	ZINC000600954305	411693307	/nfs/dbraw/zinc/69/33/07/411693307.db2.gz	XBTXUYARJABKBE-JTQLQIEISA-N	0	1	232.287	0.662	20	30		BCEDMN
C=CC[N@H+](Cc1n[nH]c(=O)[n-]1)[C@H](C)COC	ZINC000661240073	411741861	/nfs/dbraw/zinc/74/18/61/411741861.db2.gz	LETWTSLTXWHBQZ-MRVPVSSYSA-N	0	1	226.280	0.533	20	30		BCEDMN
C=CC[N@@H+](Cc1n[nH]c(=O)[n-]1)[C@H](C)COC	ZINC000661240073	411741864	/nfs/dbraw/zinc/74/18/64/411741864.db2.gz	LETWTSLTXWHBQZ-MRVPVSSYSA-N	0	1	226.280	0.533	20	30		BCEDMN
Cc1[nH]ncc1CNc1n[nH]cc1C#N	ZINC000336744315	411756182	/nfs/dbraw/zinc/75/61/82/411756182.db2.gz	ZDBQKRBSWADVFG-UHFFFAOYSA-N	0	1	202.221	0.925	20	30		BCEDMN
Cc1nc(CCNc2cc(C#N)cc(C)n2)n[nH]1	ZINC000342531039	411762265	/nfs/dbraw/zinc/76/22/65/411762265.db2.gz	AWSSCDMDSZRNQH-UHFFFAOYSA-N	0	1	242.286	1.343	20	30		BCEDMN
Cc1nnc(CCNc2cc(C#N)cc(C)n2)[nH]1	ZINC000342531039	411762268	/nfs/dbraw/zinc/76/22/68/411762268.db2.gz	AWSSCDMDSZRNQH-UHFFFAOYSA-N	0	1	242.286	1.343	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)[C@H](O)[C@@H](C)C1	ZINC000661620915	411819752	/nfs/dbraw/zinc/81/97/52/411819752.db2.gz	BGMBYKDMJMZQLY-IAZYJMLFSA-N	0	1	226.320	0.237	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000662013729	411941887	/nfs/dbraw/zinc/94/18/87/411941887.db2.gz	LBVXMEZXECQUOG-SNVBAGLBSA-N	0	1	211.309	0.860	20	30		BCEDMN
OCC1(CO)CCN(CC#Cc2ccccc2)C1	ZINC000661950171	411919076	/nfs/dbraw/zinc/91/90/76/411919076.db2.gz	KNZSVSSSXVOQRD-UHFFFAOYSA-N	0	1	245.322	0.715	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NC1CCCCC1	ZINC000662165289	412014323	/nfs/dbraw/zinc/01/43/23/412014323.db2.gz	DIPJQWAXSKOGDU-SNVBAGLBSA-N	0	1	226.320	0.572	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCc1ccc(C)cc1	ZINC000662165720	412015046	/nfs/dbraw/zinc/01/50/46/412015046.db2.gz	MWXRRUUWGSMYDJ-CYBMUJFWSA-N	0	1	248.326	0.748	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N(CC)CC(=C)C	ZINC000662166152	412015058	/nfs/dbraw/zinc/01/50/58/412015058.db2.gz	SWBGAVHOFOUWNO-NWDGAFQWSA-N	0	1	240.347	0.936	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N[C@@H](C)CC	ZINC000662165575	412015242	/nfs/dbraw/zinc/01/52/42/412015242.db2.gz	JPZPZGDUZCQILE-IVZWLZJFSA-N	0	1	214.309	0.426	20	30		BCEDMN
C=CCCC[N@H+](C)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000662202817	412023222	/nfs/dbraw/zinc/02/32/22/412023222.db2.gz	BWEMKOVKZIKODC-SNVBAGLBSA-N	0	1	240.303	0.570	20	30		BCEDMN
C=CCC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662220322	412030719	/nfs/dbraw/zinc/03/07/19/412030719.db2.gz	VZEVGTDZZHQVLM-MWLCHTKSSA-N	0	1	211.261	0.596	20	30		BCEDMN
N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)nn1	ZINC000596249094	412272407	/nfs/dbraw/zinc/27/24/07/412272407.db2.gz	CLWPYRKISJQYOG-UHFFFAOYSA-N	0	1	241.258	0.956	20	30		BCEDMN
N#Cc1ccnc(Nc2c[nH]cn2)c1[N+](=O)[O-]	ZINC000571743145	412278515	/nfs/dbraw/zinc/27/85/15/412278515.db2.gz	KYZQPZLWNMKDMX-UHFFFAOYSA-N	0	1	230.187	1.328	20	30		BCEDMN
N#Cc1cnnc(N[C@H]2CCCc3cn[nH]c32)c1	ZINC000596168170	412279441	/nfs/dbraw/zinc/27/94/41/412279441.db2.gz	LYZLLFFOGGZQJR-JTQLQIEISA-N	0	1	240.270	1.561	20	30		BCEDMN
C=CC[C@@H]1CCCN(C(=O)[C@H]2CNCCO2)C1	ZINC000662630454	412250546	/nfs/dbraw/zinc/25/05/46/412250546.db2.gz	JMDVXSDRWXWJMD-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
N#Cc1c2c(cnc1NCCN1CCC1)CCC2	ZINC000564877121	412250967	/nfs/dbraw/zinc/25/09/67/412250967.db2.gz	UWRAFDHVVPQDQZ-UHFFFAOYSA-N	0	1	242.326	1.560	20	30		BCEDMN
C=CCCCCCNC(=O)C1(O)CNC1	ZINC000662831192	412314238	/nfs/dbraw/zinc/31/42/38/412314238.db2.gz	LCNWOUXTHNKLFG-UHFFFAOYSA-N	0	1	212.293	0.183	20	30		BCEDMN
C=CCCC(C)(C)NC(=O)[C@H]1CNCCO1	ZINC000662953282	412353869	/nfs/dbraw/zinc/35/38/69/412353869.db2.gz	LWCQYPXHGJYPQQ-SNVBAGLBSA-N	0	1	226.320	0.836	20	30		BCEDMN
CN(C)C(=O)CNCc1ccc(C#N)cc1	ZINC000037207924	172370802	/nfs/dbraw/zinc/37/08/02/172370802.db2.gz	VJZSIJSEGFGGOI-UHFFFAOYSA-N	0	1	217.272	0.736	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2cnc(C#N)cn2)C1	ZINC000227052103	173075842	/nfs/dbraw/zinc/07/58/42/173075842.db2.gz	WAKMZVBFKXNRQT-NSHDSACASA-N	0	1	246.318	0.006	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ncccc2C#N)C1	ZINC000225346687	173077567	/nfs/dbraw/zinc/07/75/67/173077567.db2.gz	TWIWGFHWKTWVLF-LBPRGKRZSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(CCNc2cnc(C#N)cn2)CC1	ZINC000071177836	173081342	/nfs/dbraw/zinc/08/13/42/173081342.db2.gz	KOBWXENQRBAVEL-UHFFFAOYSA-N	0	1	246.318	0.008	20	30		BCEDMN
CN1C[C@H](NCc2ccc(C#N)o2)CCC1=O	ZINC000135190263	173194659	/nfs/dbraw/zinc/19/46/59/173194659.db2.gz	IOGPLJMSHCELEJ-SECBINFHSA-N	0	1	233.271	0.862	20	30		BCEDMN
CNC(=O)CNC1(c2cccc(C#N)c2)CC1	ZINC000293220371	173276824	/nfs/dbraw/zinc/27/68/24/173276824.db2.gz	PWHSOUNMAOAFQB-UHFFFAOYSA-N	0	1	229.283	0.883	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1cnc(C#N)cn1	ZINC000408053583	177277208	/nfs/dbraw/zinc/27/72/08/177277208.db2.gz	HQGDWNKUYXYSJI-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCOCCNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000679629679	487659264	/nfs/dbraw/zinc/65/92/64/487659264.db2.gz	IDPULJRWZPUJHH-MRVPVSSYSA-N	0	1	239.279	0.368	20	30		BCEDMN
C=CCCC(=O)N1CCN(Cc2nnc[nH]2)CC1	ZINC000652902281	487678042	/nfs/dbraw/zinc/67/80/42/487678042.db2.gz	GTHOEZACXFHQBK-UHFFFAOYSA-N	0	1	249.318	0.415	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCO[C@]2(CCCOC2)C1	ZINC000671696554	487695195	/nfs/dbraw/zinc/69/51/95/487695195.db2.gz	FYWBMOGSXGJZNG-CHWSQXEVSA-N	0	1	241.331	0.805	20	30		BCEDMN
CC1(C)CCN(CC(=O)NCCC#N)C1	ZINC000743863134	585141190	/nfs/dbraw/zinc/14/11/90/585141190.db2.gz	WERWTLLLMSRBOE-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
CCn1nccc1CCN1CC[C@@](O)(CC#N)C1	ZINC000592153341	487807876	/nfs/dbraw/zinc/80/78/76/487807876.db2.gz	MANKIMYTOITZDP-ZDUSSCGKSA-N	0	1	248.330	0.796	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)OCC)CC1	ZINC000491045308	526915017	/nfs/dbraw/zinc/91/50/17/526915017.db2.gz	KIBHWFLYPZMEQI-UHFFFAOYSA-N	0	1	224.304	0.742	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CCCC#N	ZINC000813059596	586590004	/nfs/dbraw/zinc/59/00/04/586590004.db2.gz	COFMMRDEYMQETH-VIFPVBQESA-N	0	1	221.260	0.914	20	30		BCEDMN
C#CCOCCN1CCO[C@@H](C2CC2)C1	ZINC000851951255	588647239	/nfs/dbraw/zinc/64/72/39/588647239.db2.gz	CBWSMIYSNXBIGK-GFCCVEGCSA-N	0	1	209.289	0.747	20	30		BCEDMN
CC1CC(C(=O)NCC#CCN(C)C)C1	ZINC000913519987	640381413	/nfs/dbraw/zinc/38/14/13/640381413.db2.gz	XOLQXPFHGWFKHI-UHFFFAOYSA-N	0	1	208.305	0.714	20	30		BCEDMN
C=CCNC(=O)CN1CCc2cn[nH]c2C1	ZINC000676792496	487928654	/nfs/dbraw/zinc/92/86/54/487928654.db2.gz	JJKORHFRJJVNMK-UHFFFAOYSA-N	0	1	220.276	0.070	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCC[N@H+](C)C1CC1	ZINC000667159112	487949831	/nfs/dbraw/zinc/94/98/31/487949831.db2.gz	USJDJMNYYBDWNM-NSHDSACASA-N	0	1	212.293	0.134	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC[C@@H]2CCCCO2)c1=O	ZINC000564965493	322982527	/nfs/dbraw/zinc/98/25/27/322982527.db2.gz	ILRAOLYXLCFLOH-JTQLQIEISA-N	0	1	249.270	0.367	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000570581610	323063820	/nfs/dbraw/zinc/06/38/20/323063820.db2.gz	KSOQUNJOSRZROJ-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC(C)[NH+]1CCN(C(=O)[C@H](C)C#N)CC1	ZINC000044823385	323087140	/nfs/dbraw/zinc/08/71/40/323087140.db2.gz	KVLRYRXIGCVSCM-SNVBAGLBSA-N	0	1	209.293	0.699	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)Cn1cccn1	ZINC000571057613	323106150	/nfs/dbraw/zinc/10/61/50/323106150.db2.gz	YWEAPVGCRWNPIM-QWRGUYRKSA-N	0	1	222.292	0.526	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)Cn1cccn1	ZINC000571057612	323106210	/nfs/dbraw/zinc/10/62/10/323106210.db2.gz	YWEAPVGCRWNPIM-MNOVXSKESA-N	0	1	222.292	0.526	20	30		BCEDMN
COC[C@@](C)(CCO)NCc1ccc(C#N)cn1	ZINC000563350630	323120002	/nfs/dbraw/zinc/12/00/02/323120002.db2.gz	PNOLCSAXOWVSOD-CYBMUJFWSA-N	0	1	249.314	0.830	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn(CC(F)F)c1	ZINC000292584488	323150318	/nfs/dbraw/zinc/15/03/18/323150318.db2.gz	FZNUAGFFPOCASY-SECBINFHSA-N	0	1	231.246	0.785	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@H](C)CO)CC1	ZINC000126321158	323174023	/nfs/dbraw/zinc/17/40/23/323174023.db2.gz	XEYSFXOYVRCBRI-LLVKDONJSA-N	0	1	238.331	0.171	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@@H](C)CN1CCOCC1	ZINC000535761344	323190675	/nfs/dbraw/zinc/19/06/75/323190675.db2.gz	PYJLXMZHINIIFK-MNOVXSKESA-N	0	1	239.319	0.231	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)Cc2ccoc2)CC1	ZINC000547794946	323369544	/nfs/dbraw/zinc/36/95/44/323369544.db2.gz	VSNABTFEJKSCMD-UHFFFAOYSA-N	0	1	247.298	0.926	20	30		BCEDMN
COC[C@@H](C)OC[C@@H](O)CNCC1(C#N)CC1	ZINC000571993295	323518795	/nfs/dbraw/zinc/51/87/95/323518795.db2.gz	DAWKXTVGUXUUDI-MNOVXSKESA-N	0	1	242.319	0.292	20	30		BCEDMN
COC[C@@H](C)OC[C@H](O)CNCC1(C#N)CC1	ZINC000571993294	323519018	/nfs/dbraw/zinc/51/90/18/323519018.db2.gz	DAWKXTVGUXUUDI-GHMZBOCLSA-N	0	1	242.319	0.292	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCCN(C(N)=O)CC1	ZINC000677048494	487959178	/nfs/dbraw/zinc/95/91/78/487959178.db2.gz	YXXGEIQTWCPJFH-SNVBAGLBSA-N	0	1	227.308	0.010	20	30		BCEDMN
C#CCCN[C@H](C(N)=O)c1ccc(F)cc1	ZINC000264999391	324113201	/nfs/dbraw/zinc/11/32/01/324113201.db2.gz	ZFGGMONREQWTRU-NSHDSACASA-N	0	1	220.247	0.965	20	30		BCEDMN
N#CC1CCN(CCN2C(=O)CCC2=O)CC1	ZINC000195317085	324201846	/nfs/dbraw/zinc/20/18/46/324201846.db2.gz	ALMLTAVXBZSKTO-UHFFFAOYSA-N	0	1	235.287	0.371	20	30		BCEDMN
C=CCCN1CCN(CC(=O)NCC=C)CC1	ZINC000132416995	325215137	/nfs/dbraw/zinc/21/51/37/325215137.db2.gz	JQPFMUWIMLHSEH-UHFFFAOYSA-N	0	1	237.347	0.482	20	30		BCEDMN
Cc1ccccc1OC[C@@H](O)CNCC#CCO	ZINC000566234059	326020272	/nfs/dbraw/zinc/02/02/72/326020272.db2.gz	OVUVHPXVJPCNKE-ZDUSSCGKSA-N	0	1	249.310	0.320	20	30		BCEDMN
CN(C)CC(=O)NCc1ccc(CC#N)cc1	ZINC000566621478	326068757	/nfs/dbraw/zinc/06/87/57/326068757.db2.gz	KAQCWDYZHHBGMF-UHFFFAOYSA-N	0	1	231.299	0.930	20	30		BCEDMN
N#Cc1ccc(CNCCN2CCCC2=O)o1	ZINC000405382292	326112689	/nfs/dbraw/zinc/11/26/89/326112689.db2.gz	KJGYQCZFPMLYRA-UHFFFAOYSA-N	0	1	233.271	0.863	20	30		BCEDMN
C#CCN(CCNS(C)(=O)=O)C1CCCC1	ZINC000155829398	326212617	/nfs/dbraw/zinc/21/26/17/326212617.db2.gz	ZZDBPEUZLNKDFG-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
CN(CCCO)Cc1cnc2c(C#N)cnn2c1	ZINC000567899681	326279777	/nfs/dbraw/zinc/27/97/77/326279777.db2.gz	PAXAGKUIZPPYAP-UHFFFAOYSA-N	0	1	245.286	0.415	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCN(CC)[C@@H](C)C1	ZINC000677192720	487994739	/nfs/dbraw/zinc/99/47/39/487994739.db2.gz	YGOAYSZEPHWENV-RYUDHWBXSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NCc1nn[nH]n1	ZINC000682361022	488006815	/nfs/dbraw/zinc/00/68/15/488006815.db2.gz	FIGXYNYXXIRTAO-VIFPVBQESA-N	0	1	209.253	0.418	20	30		BCEDMN
C=CCCC(=O)N1CCN(C(C)(C)CO)CC1	ZINC000677647336	488085283	/nfs/dbraw/zinc/08/52/83/488085283.db2.gz	UXSWICXEPCWYEY-UHFFFAOYSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CCN1C(=O)N=NC1SCC#CCOC	ZINC000677806255	488127580	/nfs/dbraw/zinc/12/75/80/488127580.db2.gz	STCWXZRLTAIAFS-UHFFFAOYSA-N	0	1	239.300	0.912	20	30		BCEDMN
C=CCCNC(=O)c1ccnc(CN)c1	ZINC000168788554	487541376	/nfs/dbraw/zinc/54/13/76/487541376.db2.gz	ALACOGZLYIYPKS-UHFFFAOYSA-N	0	1	205.261	0.846	20	30		BCEDMN
COCC#CCN1CCOCC2(CC2)C1	ZINC000679874832	487478878	/nfs/dbraw/zinc/47/88/78/487478878.db2.gz	VJZSLQIVWQVOQM-UHFFFAOYSA-N	0	1	209.289	0.749	20	30		BCEDMN
C=CCCOCC(=O)N1CCc2[nH]nnc2C1	ZINC000673940554	487487018	/nfs/dbraw/zinc/48/70/18/487487018.db2.gz	YYWITXCIECSBTG-UHFFFAOYSA-N	0	1	236.275	0.282	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@@H](O)C2CC2)C1=O	ZINC000685002121	487489196	/nfs/dbraw/zinc/48/91/96/487489196.db2.gz	VYEZGJPLFONHHT-NWDGAFQWSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCc3cn[nH]c3C2)C1=O	ZINC000685003752	487490625	/nfs/dbraw/zinc/49/06/25/487490625.db2.gz	NOTZYNYXTMIOAL-GFCCVEGCSA-N	0	1	246.314	0.555	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCc1cc(C)[nH]n1	ZINC000685738646	487575328	/nfs/dbraw/zinc/57/53/28/487575328.db2.gz	QCWDJUQYAXSNJZ-LLVKDONJSA-N	0	1	223.276	0.661	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000655161013	488005984	/nfs/dbraw/zinc/00/59/84/488005984.db2.gz	QVYLUTSLDIZYMR-VXGBXAGGSA-N	0	1	238.331	0.219	20	30		BCEDMN
COCC#CCN1CCc2cn[nH]c2C1	ZINC000677820000	488135677	/nfs/dbraw/zinc/13/56/77/488135677.db2.gz	SFRWQOSICHFKEC-UHFFFAOYSA-N	0	1	205.261	0.418	20	30		BCEDMN
C=CCCOCC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000677919901	488156267	/nfs/dbraw/zinc/15/62/67/488156267.db2.gz	ZGKWKVDVERWAGG-JTQLQIEISA-N	0	1	249.314	0.976	20	30		BCEDMN
CCC#C[C@@H](C)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000684008144	488254842	/nfs/dbraw/zinc/25/48/42/488254842.db2.gz	MEXNPJWFLZHKLQ-MFKMUULPSA-N	0	1	249.314	0.462	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@]2(CCO[C@H]2C)C1	ZINC000684211313	488277348	/nfs/dbraw/zinc/27/73/48/488277348.db2.gz	MGKOWGRMVJAJPV-RWMBFGLXSA-N	0	1	241.331	0.803	20	30		BCEDMN
C=CCNC(=O)CNCc1n[nH]c2ccccc21	ZINC000679027468	488303489	/nfs/dbraw/zinc/30/34/89/488303489.db2.gz	BJUUJLQPMFNAIS-UHFFFAOYSA-N	0	1	244.298	0.955	20	30		BCEDMN
C=CCNC(=O)CNCc1[nH]nc2ccccc21	ZINC000679027468	488303490	/nfs/dbraw/zinc/30/34/90/488303490.db2.gz	BJUUJLQPMFNAIS-UHFFFAOYSA-N	0	1	244.298	0.955	20	30		BCEDMN
C=CCOCCNC(=O)[C@H](C)N(C)C	ZINC000679647794	488362342	/nfs/dbraw/zinc/36/23/42/488362342.db2.gz	DQUITRJKJIHMIW-VIFPVBQESA-N	0	1	200.282	0.255	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NCC(C)(C)C#N	ZINC000335491825	490305079	/nfs/dbraw/zinc/30/50/79/490305079.db2.gz	NVYUAWOIAZGCAY-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000655159874	491098456	/nfs/dbraw/zinc/09/84/56/491098456.db2.gz	DWJSTWLGUCGIDL-QWRGUYRKSA-N	0	1	249.314	0.479	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000655159871	491098511	/nfs/dbraw/zinc/09/85/11/491098511.db2.gz	DWJSTWLGUCGIDL-GHMZBOCLSA-N	0	1	249.314	0.479	20	30		BCEDMN
CCc1cc(C(=O)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000106048228	491128465	/nfs/dbraw/zinc/12/84/65/491128465.db2.gz	BOVVHUPWDVOVQZ-VIFPVBQESA-N	0	1	234.259	0.337	20	30		BCEDMN
C#CC[C@H](COC)NCc1ccc(C)nn1	ZINC000858334745	582459336	/nfs/dbraw/zinc/45/93/36/582459336.db2.gz	RINZVBYCISXLDX-GFCCVEGCSA-N	0	1	219.288	0.913	20	30		BCEDMN
C#CC1(O)CN(C(=O)c2cc(C(F)F)[nH]n2)C1	ZINC000890526640	582466588	/nfs/dbraw/zinc/46/65/88/582466588.db2.gz	RSBOPNYBFFPEMQ-UHFFFAOYSA-N	0	1	241.197	0.167	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCCC1	ZINC000843463846	582558623	/nfs/dbraw/zinc/55/86/23/582558623.db2.gz	YICUMEUGBHHVLN-ZJUUUORDSA-N	0	1	221.304	0.794	20	30		BCEDMN
C=CC(C)(C)NC(=O)CCCc1nn[nH]n1	ZINC000891267049	582646233	/nfs/dbraw/zinc/64/62/33/582646233.db2.gz	LRQYXKLUCSQHOB-UHFFFAOYSA-N	0	1	223.280	0.603	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CN(CC)C1CC1	ZINC000342170678	534387241	/nfs/dbraw/zinc/38/72/41/534387241.db2.gz	YPRUNEPBBVFBFF-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)Cc1cc(C)n[nH]1	ZINC000342211341	534389439	/nfs/dbraw/zinc/38/94/39/534389439.db2.gz	OEODODCDGLWOJD-JTQLQIEISA-N	0	1	237.303	0.561	20	30		BCEDMN
C=C(CC)CN1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000358507066	534402214	/nfs/dbraw/zinc/40/22/14/534402214.db2.gz	KUAZJXHPLSIJAP-ZJUUUORDSA-N	0	1	212.293	0.527	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000378481161	534447038	/nfs/dbraw/zinc/44/70/38/534447038.db2.gz	COJKQJBCXUIMRD-RNFRBKRXSA-N	0	1	226.667	0.777	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000356856870	534520619	/nfs/dbraw/zinc/52/06/19/534520619.db2.gz	QLLCRBFXEOHQHU-VHSXEESVSA-N	0	1	244.360	0.087	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCNC[C@@H]1C	ZINC000333786343	534601020	/nfs/dbraw/zinc/60/10/20/534601020.db2.gz	LSEHJFJNKRBAEK-AXFHLTTASA-N	0	1	239.319	0.333	20	30		BCEDMN
C=CCCCC(=O)NC[C@H]1CN(C)CCN1C	ZINC000359130750	534661136	/nfs/dbraw/zinc/66/11/36/534661136.db2.gz	YMJFRAYNWUIYAJ-LBPRGKRZSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@H](N)COC	ZINC000220245927	534704875	/nfs/dbraw/zinc/70/48/75/534704875.db2.gz	MNDCTDJTXQIICA-SECBINFHSA-N	0	1	200.282	0.385	20	30		BCEDMN
CC#CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000336025714	534714742	/nfs/dbraw/zinc/71/47/42/534714742.db2.gz	GMVRXMNBQIGDCQ-SECBINFHSA-N	0	1	232.287	0.590	20	30		BCEDMN
Cc1cc(CN=Nc2cnn(C)c2)nn1C	ZINC000841635494	582869620	/nfs/dbraw/zinc/86/96/20/582869620.db2.gz	LXJNIMSVCIDXSM-UHFFFAOYSA-N	0	1	218.264	0.908	20	30		BCEDMN
C=CCN1CCC([C@H](O)C(=O)NC2CC2)CC1	ZINC000332181802	534848161	/nfs/dbraw/zinc/84/81/61/534848161.db2.gz	WUTSIYAYOPFRSJ-LBPRGKRZSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C	ZINC000356887697	534868560	/nfs/dbraw/zinc/86/85/60/534868560.db2.gz	UIQALRWOWJXZLG-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOCC(=O)N1CCN(CC(C)C)CC1	ZINC000354324505	534868659	/nfs/dbraw/zinc/86/86/59/534868659.db2.gz	OSWVDUADZLKGFG-UHFFFAOYSA-N	0	1	240.347	0.989	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)[C@H](C)[C@@H]1C	ZINC000356887694	534868665	/nfs/dbraw/zinc/86/86/65/534868665.db2.gz	UIQALRWOWJXZLG-MNOVXSKESA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOCCCN(C)[C@H](COC)C(N)=O	ZINC000339355634	534874161	/nfs/dbraw/zinc/87/41/61/534874161.db2.gz	FLWUAOFYPZCCLN-SNVBAGLBSA-N	0	1	230.308	0.011	20	30		BCEDMN
N#CC(C(=O)COC1CC1)C(=O)NC1CC1	ZINC000892496927	582897801	/nfs/dbraw/zinc/89/78/01/582897801.db2.gz	SOPZPENDAIOFQR-SECBINFHSA-N	0	1	222.244	0.153	20	30		BCEDMN
CCCC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000355114109	534917617	/nfs/dbraw/zinc/91/76/17/534917617.db2.gz	CRCFEBIOYKUOCH-DTWKUNHWSA-N	0	1	226.276	0.994	20	30		BCEDMN
C#CCN(CC#C)CCCN1CCCC1=O	ZINC000490761894	526845733	/nfs/dbraw/zinc/84/57/33/526845733.db2.gz	CJDGKLWPCIYFME-UHFFFAOYSA-N	0	1	218.300	0.567	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H](O)CCOCC	ZINC000491665919	526864742	/nfs/dbraw/zinc/86/47/42/526864742.db2.gz	PRPKNHMDJDNDST-ZDUSSCGKSA-N	0	1	223.316	0.732	20	30		BCEDMN
C#CCN1CCC2(CNC(=O)N2C)CC1	ZINC000491638399	526936680	/nfs/dbraw/zinc/93/66/80/526936680.db2.gz	XECDZMRZLSBVTF-UHFFFAOYSA-N	0	1	207.277	0.109	20	30		BCEDMN
C#CCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000490893151	527010097	/nfs/dbraw/zinc/01/00/97/527010097.db2.gz	RPRYTYBAQXBCQQ-GHMZBOCLSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1cc(F)ccc1F	ZINC000491486146	527376743	/nfs/dbraw/zinc/37/67/43/527376743.db2.gz	ULXJEXUPZSJBFP-BXKDBHETSA-N	0	1	241.237	0.582	20	30		BCEDMN
COC[C@@H](C)NC(=[NH2+])NCc1ncccc1[O-]	ZINC000262456321	536520194	/nfs/dbraw/zinc/52/01/94/536520194.db2.gz	LFZARFQNSCLPLE-MRVPVSSYSA-N	0	1	238.291	0.226	20	30		BCEDMN
CCC[C@@H](NC(=O)CCCC#N)c1nn[nH]n1	ZINC000362949348	535352009	/nfs/dbraw/zinc/35/20/09/535352009.db2.gz	NVTORZUHGITSKU-MRVPVSSYSA-N	0	1	236.279	0.851	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)NCCCC#N	ZINC000352241616	535563138	/nfs/dbraw/zinc/56/31/38/535563138.db2.gz	MVHDPZJHFCJTFW-UHFFFAOYSA-N	0	1	247.364	0.551	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NC1(C#N)CCC1	ZINC000335723991	536369817	/nfs/dbraw/zinc/36/98/17/536369817.db2.gz	GDPBWWSXVVWHGI-SECBINFHSA-N	0	1	207.277	0.643	20	30		BCEDMN
COCC1(C#N)CCN(CCC(=O)OC)CC1	ZINC000341981234	536802134	/nfs/dbraw/zinc/80/21/34/536802134.db2.gz	BMYYUPQUGJKANJ-UHFFFAOYSA-N	0	1	240.303	0.802	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NC(=O)NCCN1CCC1	ZINC000332897350	566377427	/nfs/dbraw/zinc/37/74/27/566377427.db2.gz	MOXNJMZETRYIFV-GHMZBOCLSA-N	0	1	236.319	0.684	20	30		BCEDMN
C#C[C@H](N[C@@H](C)COC(C)=O)[C@H]1CCCO1	ZINC000893677947	583196172	/nfs/dbraw/zinc/19/61/72/583196172.db2.gz	YJOICQIJAUALHW-ZMLRMANQSA-N	0	1	225.288	0.708	20	30		BCEDMN
C#CCOCCC(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853223018	588726524	/nfs/dbraw/zinc/72/65/24/588726524.db2.gz	SVLCOVKVVQHBFX-QMMMGPOBSA-N	0	1	223.232	0.449	20	30		BCEDMN
C[C@H](CC#N)C(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853228003	588727773	/nfs/dbraw/zinc/72/77/73/588727773.db2.gz	VKVVAVDCMJUHOK-RQJHMYQMSA-N	0	1	208.221	0.959	20	30		BCEDMN
COc1cncc(C=NNC2=NC[C@H](C)N2)c1	ZINC000853330941	588733812	/nfs/dbraw/zinc/73/38/12/588733812.db2.gz	ZQHQTDACRNDELH-QMMMGPOBSA-N	0	1	233.275	0.361	20	30		BCEDMN
CCCn1nccc1C=NNC1=NC[C@@H](C)N1	ZINC000853330818	588733909	/nfs/dbraw/zinc/73/39/09/588733909.db2.gz	WEGXYDATIHINJM-SECBINFHSA-N	0	1	234.307	0.564	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2c(C3CC3)cnn2C)N1	ZINC000853330816	588733987	/nfs/dbraw/zinc/73/39/87/588733987.db2.gz	WCBGZHRFFWOOAC-MRVPVSSYSA-N	0	1	246.318	0.569	20	30		BCEDMN
C[C@@H]1COC(=O)C1=NN=c1cc[nH]cc1F	ZINC000853402356	588741111	/nfs/dbraw/zinc/74/11/11/588741111.db2.gz	WZTDXNJRIQNQAB-ZCFIWIBFSA-N	0	1	223.207	0.603	20	30		BCEDMN
COc1cncc(CN=Nc2nnc(C)n2C)c1	ZINC000853430570	588741927	/nfs/dbraw/zinc/74/19/27/588741927.db2.gz	DAIJLJPPZUDXAH-UHFFFAOYSA-N	0	1	246.274	0.973	20	30		BCEDMN
Cc1nnc(N=NC2C[C@@H](C)N(C)C2)n1C	ZINC000853432964	588742075	/nfs/dbraw/zinc/74/20/75/588742075.db2.gz	QLIXUWCRYDQOIY-SSDOTTSWSA-N	0	1	222.296	0.615	20	30		BCEDMN
C#C[C@H](CC)NC(=O)N(C)Cc1nnc[nH]1	ZINC000854076906	588773845	/nfs/dbraw/zinc/77/38/45/588773845.db2.gz	FCGLICBMABPEJM-MRVPVSSYSA-N	0	1	221.264	0.358	20	30		BCEDMN
C#CC(=O)N1CCC(N2CCOC[C@H]2C)CC1	ZINC000854568168	588794745	/nfs/dbraw/zinc/79/47/45/588794745.db2.gz	IPXVYEIPYQPPOS-LLVKDONJSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)c1[nH]nc2c1CCCCC2	ZINC000854775729	588808087	/nfs/dbraw/zinc/80/80/87/588808087.db2.gz	ROKPODHCBPQRCC-VIFPVBQESA-N	0	1	247.298	0.403	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N(C)Cc1cnc[nH]1	ZINC000855134202	588823051	/nfs/dbraw/zinc/82/30/51/588823051.db2.gz	IKHWMIDIAFLLTN-LBPRGKRZSA-N	0	1	246.314	0.466	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@H]2CCCCN2CC)C1	ZINC000890521749	582463839	/nfs/dbraw/zinc/46/38/39/582463839.db2.gz	RYADUENXXUDSND-LLVKDONJSA-N	0	1	236.315	0.067	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCC1	ZINC000843463843	582558612	/nfs/dbraw/zinc/55/86/12/582558612.db2.gz	YICUMEUGBHHVLN-VHSXEESVSA-N	0	1	221.304	0.794	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](CC)OC[C@H]1C	ZINC000844391199	582580754	/nfs/dbraw/zinc/58/07/54/582580754.db2.gz	NVBAJOVHNVCXHD-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
O=C(Cc1cnc[nH]1)NCC#C[C@H]1CCCCO1	ZINC000891105935	582611993	/nfs/dbraw/zinc/61/19/93/582611993.db2.gz	GRESHGUJVDYADM-GFCCVEGCSA-N	0	1	247.298	0.641	20	30		BCEDMN
CN(C)CC(=O)NCC#C[C@H]1CCCCO1	ZINC000891127628	582613552	/nfs/dbraw/zinc/61/35/52/582613552.db2.gz	YUYITPKSPSSTAY-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N(C)Cc1nnc[nH]1	ZINC000845617424	582616263	/nfs/dbraw/zinc/61/62/63/582616263.db2.gz	DJCPXHMTNACGQN-ZETCQYMHSA-N	0	1	225.252	0.452	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N(C)Cc1nnc[nH]1	ZINC000845617420	582616308	/nfs/dbraw/zinc/61/63/08/582616308.db2.gz	DJCPXHMTNACGQN-SSDOTTSWSA-N	0	1	225.252	0.452	20	30		BCEDMN
C=CC(C)(C)NC(=O)C1=NC(=O)N(C)C1	ZINC000891266138	582645639	/nfs/dbraw/zinc/64/56/39/582645639.db2.gz	GNZZOIBMZMOBEX-UHFFFAOYSA-N	0	1	209.249	0.820	20	30		BCEDMN
C=CC(C)(C)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000891267073	582646198	/nfs/dbraw/zinc/64/61/98/582646198.db2.gz	MODMBSILPGNLDG-LLVKDONJSA-N	0	1	238.331	0.788	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccco1	ZINC000846678430	582664373	/nfs/dbraw/zinc/66/43/73/582664373.db2.gz	UCRUMEMMKUJKSI-ONGXEEELSA-N	0	1	233.271	0.440	20	30		BCEDMN
C=CCOCCCNC(=O)C1=NC(=O)N(C)C1	ZINC000855778680	588847823	/nfs/dbraw/zinc/84/78/23/588847823.db2.gz	RPFXSOFXGQNYCJ-UHFFFAOYSA-N	0	1	239.275	0.448	20	30		BCEDMN
C=C(C)[C@H](CO)Sc1nc(N)cc(N)n1	ZINC000393734448	582921134	/nfs/dbraw/zinc/92/11/34/582921134.db2.gz	VGGZPSCXGYPLHP-LURJTMIESA-N	0	1	226.305	0.500	20	30		BCEDMN
C#CCNC(=O)CCNCc1c(C)noc1CC	ZINC000892737540	582973016	/nfs/dbraw/zinc/97/30/16/582973016.db2.gz	FALUTMRDNLVNIN-UHFFFAOYSA-N	0	1	249.314	0.775	20	30		BCEDMN
C=CCNC(=O)CNCc1cnc(F)c(C)c1	ZINC000893320412	583100023	/nfs/dbraw/zinc/10/00/23/583100023.db2.gz	ZGZSDFYEMPCAPZ-UHFFFAOYSA-N	0	1	237.278	0.921	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000856033308	583113744	/nfs/dbraw/zinc/11/37/44/583113744.db2.gz	CCHDNGVYRWNWOL-NSHDSACASA-N	0	1	239.319	0.000	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@H](C)[NH+]1CCN(C)CC1	ZINC000856032740	583113771	/nfs/dbraw/zinc/11/37/71/583113771.db2.gz	USRORQVHLUGTHV-NSHDSACASA-N	0	1	241.335	0.246	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@H](C)N1CC[NH+](C)CC1	ZINC000856032740	583113773	/nfs/dbraw/zinc/11/37/73/583113773.db2.gz	USRORQVHLUGTHV-NSHDSACASA-N	0	1	241.335	0.246	20	30		BCEDMN
C#CCN1CCC([C@H](O)c2ccnn2C)CC1	ZINC000856803892	588878684	/nfs/dbraw/zinc/87/86/84/588878684.db2.gz	JXOOJZSKGBCAHY-ZDUSSCGKSA-N	0	1	233.315	0.799	20	30		BCEDMN
FC(F)(F)c1cc(C=NNC2=NCCN2)c[nH]1	ZINC000841658591	583155545	/nfs/dbraw/zinc/15/55/45/583155545.db2.gz	BLPLJKAZTCCITL-UHFFFAOYSA-N	0	1	245.208	0.916	20	30		BCEDMN
COCCOC[C@H](C)NC[C@@H](C)C#N	ZINC000893544430	583160083	/nfs/dbraw/zinc/16/00/83/583160083.db2.gz	KLVTXACTUQWLML-UWVGGRQHSA-N	0	1	200.282	0.787	20	30		BCEDMN
C#C[C@H](N[C@@H](C)COC(C)=O)[C@@H]1CCCO1	ZINC000893677945	583195501	/nfs/dbraw/zinc/19/55/01/583195501.db2.gz	YJOICQIJAUALHW-DLOVCJGASA-N	0	1	225.288	0.708	20	30		BCEDMN
CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)CC#N	ZINC000893871984	583237934	/nfs/dbraw/zinc/23/79/34/583237934.db2.gz	JMOFNTWPAMGZGG-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)[C@H](C)CC#N	ZINC000893871984	583237936	/nfs/dbraw/zinc/23/79/36/583237936.db2.gz	JMOFNTWPAMGZGG-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
C#CCSCC(=O)NC[C@@H]1CCN1CC	ZINC000893869466	583242059	/nfs/dbraw/zinc/24/20/59/583242059.db2.gz	ANGWNWWZMZWSHD-JTQLQIEISA-N	0	1	226.345	0.563	20	30		BCEDMN
Cc1nc[nH]c1C=NN1C(=O)[C@@H](C)N(C)C1=O	ZINC000857214966	588894101	/nfs/dbraw/zinc/89/41/01/588894101.db2.gz	KZTXHWSDRYNYCZ-SSDOTTSWSA-N	0	1	235.247	0.335	20	30		BCEDMN
COc1ncnc(N)c1CN=Nc1cnccn1	ZINC000747629458	583367017	/nfs/dbraw/zinc/36/70/17/583367017.db2.gz	IXOKXLUCMRGGSB-UHFFFAOYSA-N	0	1	245.246	0.303	20	30		BCEDMN
COc1ncnc(N)c1C=NNc1cnccn1	ZINC000747629458	583367019	/nfs/dbraw/zinc/36/70/19/583367019.db2.gz	IXOKXLUCMRGGSB-UHFFFAOYSA-N	0	1	245.246	0.303	20	30		BCEDMN
CCNCc1cn(CCO[C@@H](C)C#N)nn1	ZINC000881324537	583551287	/nfs/dbraw/zinc/55/12/87/583551287.db2.gz	WUUWYAYSCMJLCS-VIFPVBQESA-N	0	1	223.280	0.316	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCc1n[nH]c(C)n1	ZINC000894937459	583557914	/nfs/dbraw/zinc/55/79/14/583557914.db2.gz	QDCWZWPFFRYIAJ-QMMMGPOBSA-N	0	1	221.264	0.324	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCc1n[nH]c(C)n1	ZINC000894937458	583558225	/nfs/dbraw/zinc/55/82/25/583558225.db2.gz	QDCWZWPFFRYIAJ-MRVPVSSYSA-N	0	1	221.264	0.324	20	30		BCEDMN
C#CC[C@@H](NCc1n[nH]c(C)c1C)C(=O)OC	ZINC000894984963	583564597	/nfs/dbraw/zinc/56/45/97/583564597.db2.gz	HNVOATRXLGFNAD-SNVBAGLBSA-N	0	1	235.287	0.681	20	30		BCEDMN
C#CC[C@H](NCc1n[nH]c(C)c1C)C(=O)OC	ZINC000894984962	583564772	/nfs/dbraw/zinc/56/47/72/583564772.db2.gz	HNVOATRXLGFNAD-JTQLQIEISA-N	0	1	235.287	0.681	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)c1[nH]nc2c1CCCC2	ZINC000185856920	583600612	/nfs/dbraw/zinc/60/06/12/583600612.db2.gz	YLVCBMCKLBOULE-SECBINFHSA-N	0	1	249.314	0.955	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccc(OC)cn1	ZINC000895132511	583601011	/nfs/dbraw/zinc/60/10/11/583601011.db2.gz	UFUXPBODMMIDAP-GFCCVEGCSA-N	0	1	234.299	0.954	20	30		BCEDMN
Cc1cnccc1CN[C@@H]1CCCN(O)C1=O	ZINC000895158629	583608683	/nfs/dbraw/zinc/60/86/83/583608683.db2.gz	LFGHPQGHDKTYIZ-LLVKDONJSA-N	0	1	235.287	0.860	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1Cc1cccc(C#N)n1	ZINC000895325860	583651074	/nfs/dbraw/zinc/65/10/74/583651074.db2.gz	VEIWFKXVZMAOOK-CHWSQXEVSA-N	0	1	247.298	0.271	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3cncc(C#N)n3)C2)n1	ZINC000895327859	583651570	/nfs/dbraw/zinc/65/15/70/583651570.db2.gz	ICWFKVCIIZNJHN-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1nc(C2CN(c3cncc(C#N)n3)C2)n[nH]1	ZINC000895327859	583651571	/nfs/dbraw/zinc/65/15/71/583651571.db2.gz	ICWFKVCIIZNJHN-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3ncccc3C#N)C2)n1	ZINC000895330797	583653105	/nfs/dbraw/zinc/65/31/05/583653105.db2.gz	RLFCQLMSTYVZPN-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
Cc1nc(C2CN(c3ncccc3C#N)C2)n[nH]1	ZINC000895330797	583653106	/nfs/dbraw/zinc/65/31/06/583653106.db2.gz	RLFCQLMSTYVZPN-UHFFFAOYSA-N	0	1	240.270	0.984	20	30		BCEDMN
C#CC1(O)CCN(Cc2c(C)cnn2C)CC1	ZINC000895384290	583662991	/nfs/dbraw/zinc/66/29/91/583662991.db2.gz	IYKJEMBXUGIREJ-UHFFFAOYSA-N	0	1	233.315	0.689	20	30		BCEDMN
C#Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc1	ZINC000895736277	583717863	/nfs/dbraw/zinc/71/78/63/583717863.db2.gz	IXDLKPJRXLWXKF-GXSJLCMTSA-N	0	1	216.288	0.962	20	30		BCEDMN
C#CCN1CCC(Nc2cc(OC)ncn2)CC1	ZINC000895808605	583729494	/nfs/dbraw/zinc/72/94/94/583729494.db2.gz	KYAJWOGYAROSNP-UHFFFAOYSA-N	0	1	246.314	0.995	20	30		BCEDMN
C#CCN1CCC(Nc2cnccn2)CC1	ZINC000895804058	583731367	/nfs/dbraw/zinc/73/13/67/583731367.db2.gz	MALUBSROFOFIDJ-UHFFFAOYSA-N	0	1	216.288	0.986	20	30		BCEDMN
C#CCN1CCC(Nc2ccnc(C#N)c2)CC1	ZINC000895807289	583732613	/nfs/dbraw/zinc/73/26/13/583732613.db2.gz	NCDPXFTZHNKCSO-UHFFFAOYSA-N	0	1	240.310	0.885	20	30		BCEDMN
CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)CS1(=O)=O	ZINC000895982809	583757925	/nfs/dbraw/zinc/75/79/25/583757925.db2.gz	FZZCXYQHWFFRGV-AEJSXWLSSA-N	0	1	242.344	0.844	20	30		BCEDMN
CC1(C)[C@@H](N[C@H]2CC[C@@H](C#N)C2)CS1(=O)=O	ZINC000895982812	583758020	/nfs/dbraw/zinc/75/80/20/583758020.db2.gz	FZZCXYQHWFFRGV-UTLUCORTSA-N	0	1	242.344	0.844	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)NC[C@H]1CCN1C	ZINC000896619078	583817992	/nfs/dbraw/zinc/81/79/92/583817992.db2.gz	JHLHIWMYWFBABR-NWDGAFQWSA-N	0	1	235.331	0.888	20	30		BCEDMN
Cc1ccnc(N)c1C=NN[C@H]1CCOC1	ZINC000872370727	583949676	/nfs/dbraw/zinc/94/96/76/583949676.db2.gz	CYPVISKIXGMRDQ-VIFPVBQESA-N	0	1	220.276	0.685	20	30		BCEDMN
C#CCN(C(=O)C1CN([C@H]2CCOC2)C1)C1CC1	ZINC000897404317	583951600	/nfs/dbraw/zinc/95/16/00/583951600.db2.gz	BOJVVIFXHOXGAI-ZDUSSCGKSA-N	0	1	248.326	0.331	20	30		BCEDMN
O=C1C=C(NN=c2ncc(F)c[n-]2)[C@@H]2CCCN12	ZINC000799482889	583961474	/nfs/dbraw/zinc/96/14/74/583961474.db2.gz	RGGFHDITANPJTD-VIFPVBQESA-N	0	1	249.249	0.778	20	30		BCEDMN
O=C1C=C(NN=c2ncc(F)c[nH]2)[C@@H]2CCCN12	ZINC000799482889	583961475	/nfs/dbraw/zinc/96/14/75/583961475.db2.gz	RGGFHDITANPJTD-VIFPVBQESA-N	0	1	249.249	0.778	20	30		BCEDMN
COCC[N@@H+](CCCC#N)CCC(=O)[O-]	ZINC000737795435	583962707	/nfs/dbraw/zinc/96/27/07/583962707.db2.gz	HPQAAUUGYYNFDO-UHFFFAOYSA-N	0	1	214.265	0.713	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897433883	583973791	/nfs/dbraw/zinc/97/37/91/583973791.db2.gz	GJLNKTHUJIHWJY-UWVGGRQHSA-N	0	1	208.305	0.997	20	30		BCEDMN
C#CC[C@@H](COC)NCc1c(C)nnn1CC	ZINC000858334150	588946283	/nfs/dbraw/zinc/94/62/83/588946283.db2.gz	HXPJZPJOOZPDDZ-NSHDSACASA-N	0	1	236.319	0.734	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1nccn1C	ZINC000858334385	588946578	/nfs/dbraw/zinc/94/65/78/588946578.db2.gz	VRWNNPHNJLBHQV-NSHDSACASA-N	0	1	221.304	0.938	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1ccn(C)n1	ZINC000858333473	588946717	/nfs/dbraw/zinc/94/67/17/588946717.db2.gz	HKOZXGQHQYBIFV-NSHDSACASA-N	0	1	221.304	0.938	20	30		BCEDMN
C=CCOCC(=O)C(C#N)C(=O)NC1CC1	ZINC000729888952	584027831	/nfs/dbraw/zinc/02/78/31/584027831.db2.gz	KROYSVNGXXMEMN-SECBINFHSA-N	0	1	222.244	0.176	20	30		BCEDMN
C=CCOCC(=O)C(C#N)C(=O)NC(C)C	ZINC000729889906	584028235	/nfs/dbraw/zinc/02/82/35/584028235.db2.gz	WYDFXYWCSRVZIO-VIFPVBQESA-N	0	1	224.260	0.422	20	30		BCEDMN
C[C@@H]1CCc2n[nH]c(C(=O)NCC#CCO)c2C1	ZINC000897674909	584035001	/nfs/dbraw/zinc/03/50/01/584035001.db2.gz	LOLSVQIYXXWAFK-SECBINFHSA-N	0	1	247.298	0.260	20	30		BCEDMN
C#CCONC(=O)c1[nH]nc2c1C[C@@H](C)CC2	ZINC000897811407	584046623	/nfs/dbraw/zinc/04/66/23/584046623.db2.gz	BFKBJCYCPPOTMX-QMMMGPOBSA-N	0	1	233.271	0.829	20	30		BCEDMN
C#CCCCC(=O)NC(C)(C)c1c[nH]nn1	ZINC000898147730	584086800	/nfs/dbraw/zinc/08/68/00/584086800.db2.gz	XCJNDEAFMGVYEU-UHFFFAOYSA-N	0	1	220.276	0.960	20	30		BCEDMN
CC(C)(NC(=O)CC1(C#N)CC1)c1c[nH]nn1	ZINC000898145558	584086878	/nfs/dbraw/zinc/08/68/78/584086878.db2.gz	CDRBFNWLGLSPOY-UHFFFAOYSA-N	0	1	233.275	0.850	20	30		BCEDMN
C#CCOCCC(=O)NC(C)(C)c1c[nH]nn1	ZINC000898148627	584086991	/nfs/dbraw/zinc/08/69/91/584086991.db2.gz	HOEQXNRBKXWAQO-UHFFFAOYSA-N	0	1	236.275	0.196	20	30		BCEDMN
C[C@H](C#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898149608	584087392	/nfs/dbraw/zinc/08/73/92/584087392.db2.gz	UKRZAXWSHJFROP-ZCFIWIBFSA-N	0	1	207.237	0.316	20	30		BCEDMN
C=C(Cl)CNC(=O)NCc1n[nH]c(C)n1	ZINC000898364253	584112044	/nfs/dbraw/zinc/11/20/44/584112044.db2.gz	JPRAAOULNQFWBV-UHFFFAOYSA-N	0	1	229.671	0.665	20	30		BCEDMN
Cc1nc(CNC(=O)C#CC2CC2)n[nH]1	ZINC000889699809	584121448	/nfs/dbraw/zinc/12/14/48/584121448.db2.gz	NMMIACIACRQEEX-UHFFFAOYSA-N	0	1	204.233	0.143	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CC(N3CCCC3)C2)[nH]1	ZINC000898607835	584145658	/nfs/dbraw/zinc/14/56/58/584145658.db2.gz	BWVNMNOIVORFFD-UHFFFAOYSA-N	0	1	244.298	0.807	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000899107957	584175329	/nfs/dbraw/zinc/17/53/29/584175329.db2.gz	WGUKPZFPWTYEAX-UWVGGRQHSA-N	0	1	248.286	0.507	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@H]1CCOC	ZINC000899249405	584188232	/nfs/dbraw/zinc/18/82/32/584188232.db2.gz	YYBTVNUVONPVIN-SNVBAGLBSA-N	0	1	227.308	0.192	20	30		BCEDMN
C#CCCc1cc(=O)n([C@@H]2CCC[C@H]2O)[nH]1	ZINC000899356774	584204046	/nfs/dbraw/zinc/20/40/46/584204046.db2.gz	SNYBWMNKPVAJFM-GHMZBOCLSA-N	0	1	220.272	0.902	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2COC[C@H]2CC)nn1	ZINC000899884509	584247035	/nfs/dbraw/zinc/24/70/35/584247035.db2.gz	HBOSXRMXIKYVIH-ZYHUDNBSSA-N	0	1	236.319	0.979	20	30		BCEDMN
CCN(CCC#N)C(=O)Cc1c[nH]cn1	ZINC000900327177	584295422	/nfs/dbraw/zinc/29/54/22/584295422.db2.gz	VJECRCBCCKPBEX-UHFFFAOYSA-N	0	1	206.249	0.714	20	30		BCEDMN
CN(CC#N)C(=O)[C@H]1CCN1C(C)(C)C	ZINC000900450539	584312013	/nfs/dbraw/zinc/31/20/13/584312013.db2.gz	AGKSYFHMKVZSPW-SECBINFHSA-N	0	1	209.293	0.841	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2cc(C#N)ccn2)nn1	ZINC000900629183	584333545	/nfs/dbraw/zinc/33/35/45/584333545.db2.gz	RHWNADCJRKCSHO-VIFPVBQESA-N	0	1	242.286	0.873	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1	ZINC000900741046	584347764	/nfs/dbraw/zinc/34/77/64/584347764.db2.gz	GELUIWDERNCNOG-YPMHNXCESA-N	0	1	240.347	0.914	20	30		BCEDMN
CCn1cnc(C=NNC2=NC[C@H](C)N2)c1	ZINC000901216929	584402022	/nfs/dbraw/zinc/40/20/22/584402022.db2.gz	TYANGSFBXQYKCV-QMMMGPOBSA-N	0	1	220.280	0.174	20	30		BCEDMN
Cc1nc(Br)c(C=NNCCO)[nH]1	ZINC000901246016	584408122	/nfs/dbraw/zinc/40/81/22/584408122.db2.gz	RQDBKYLZNWPXQA-UHFFFAOYSA-N	0	1	247.096	0.396	20	30		BCEDMN
C[C@H]1CC(NC(=O)Cc2cnc[nH]2)=NO1	ZINC000901251089	584409522	/nfs/dbraw/zinc/40/95/22/584409522.db2.gz	ZUWBUZKRRROHKU-LURJTMIESA-N	0	1	208.221	0.191	20	30		BCEDMN
Cc1ccc(C=NNC2=[NH+]CCN2)cc1C(=O)[O-]	ZINC000901252157	584410038	/nfs/dbraw/zinc/41/00/38/584410038.db2.gz	AUCGNOPANTWRAT-UHFFFAOYSA-N	0	1	246.270	0.576	20	30		BCEDMN
C#CCCOC(=O)N[C@H]1CCN(CCOC)C1	ZINC000859121296	589005661	/nfs/dbraw/zinc/00/56/61/589005661.db2.gz	WZGLGNHWIIWHHY-NSHDSACASA-N	0	1	240.303	0.457	20	30		BCEDMN
COC[C@H](O)CN[C@H](C)c1cc(C#N)ccn1	ZINC000902983464	584708648	/nfs/dbraw/zinc/70/86/48/584708648.db2.gz	ZSGVRIWRQIZUCV-MWLCHTKSSA-N	0	1	235.287	0.611	20	30		BCEDMN
C#CCCCS(=O)(=O)Nc1cnc(C)cn1	ZINC000903655761	584789079	/nfs/dbraw/zinc/78/90/79/584789079.db2.gz	IEIIGZSTIOZOPK-UHFFFAOYSA-N	0	1	239.300	0.940	20	30		BCEDMN
CCC(C#N)(CC)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876801915	584887337	/nfs/dbraw/zinc/88/73/37/584887337.db2.gz	KHQWHVKKSYOKQP-VHSXEESVSA-N	0	1	234.303	0.544	20	30		BCEDMN
N#C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842315032	584892122	/nfs/dbraw/zinc/89/21/22/584892122.db2.gz	KBESFXGOBQGWOY-BWZBUEFSSA-N	0	1	210.189	0.497	20	30		BCEDMN
C#CCCOC(=O)NCCN1CCC(O)CC1	ZINC000859181786	589015087	/nfs/dbraw/zinc/01/50/87/589015087.db2.gz	WCHFJPRZMVVWTL-UHFFFAOYSA-N	0	1	240.303	0.193	20	30		BCEDMN
CC(C)[C@H](C(=O)Nc1cnn(CC#N)c1)N(C)C	ZINC000732065189	584933280	/nfs/dbraw/zinc/93/32/80/584933280.db2.gz	UXKFFVJKFDQHMU-LLVKDONJSA-N	0	1	249.318	0.931	20	30		BCEDMN
N=C(N)NN=Cc1nccn1Cc1ccccc1	ZINC000734092483	584957019	/nfs/dbraw/zinc/95/70/19/584957019.db2.gz	PSHLYPLDHKUNAT-UHFFFAOYSA-N	0	1	242.286	0.748	20	30		BCEDMN
C=CCOCC(=O)OCCc1c[nH]nn1	ZINC000734334730	584960320	/nfs/dbraw/zinc/96/03/20/584960320.db2.gz	OEPMTJQIAWMBOR-UHFFFAOYSA-N	0	1	211.221	0.093	20	30		BCEDMN
C=CCOCC(=O)OCCc1cnn[nH]1	ZINC000734334730	584960321	/nfs/dbraw/zinc/96/03/21/584960321.db2.gz	OEPMTJQIAWMBOR-UHFFFAOYSA-N	0	1	211.221	0.093	20	30		BCEDMN
C[C@@H](O)CNN=Cc1cc(F)c(O)c(F)c1	ZINC000814961221	584970860	/nfs/dbraw/zinc/97/08/60/584970860.db2.gz	YKCCYIZVLFPQCO-ZCFIWIBFSA-N	0	1	230.214	0.975	20	30		BCEDMN
N#CCSCC(=O)OCCc1c[nH]nn1	ZINC000735042591	584971299	/nfs/dbraw/zinc/97/12/99/584971299.db2.gz	VCUNVPKSGDGRFT-UHFFFAOYSA-N	0	1	226.261	0.147	20	30		BCEDMN
N#CCSCC(=O)OCCc1cnn[nH]1	ZINC000735042591	584971300	/nfs/dbraw/zinc/97/13/00/584971300.db2.gz	VCUNVPKSGDGRFT-UHFFFAOYSA-N	0	1	226.261	0.147	20	30		BCEDMN
C=CCNC(=O)NCc1cc(CC)[nH]n1	ZINC000735888001	584983824	/nfs/dbraw/zinc/98/38/24/584983824.db2.gz	YHDMUUSABYDHEL-UHFFFAOYSA-N	0	1	208.265	0.957	20	30		BCEDMN
C[N@@H+](Cc1ccc(C#N)cc1)C[C@](C)(O)C(=O)[O-]	ZINC000737451620	585032614	/nfs/dbraw/zinc/03/26/14/585032614.db2.gz	RMSJSCUXLWNQLF-ZDUSSCGKSA-N	0	1	248.282	0.826	20	30		BCEDMN
C[C@@]1(O)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000886033048	585036510	/nfs/dbraw/zinc/03/65/10/585036510.db2.gz	RAEHFEFHNOBTIP-NWDGAFQWSA-N	0	1	238.331	0.888	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)NCc1ccccc1	ZINC000841507147	585040842	/nfs/dbraw/zinc/04/08/42/585040842.db2.gz	VVCQJICMOJFRTN-VXGBXAGGSA-N	0	1	244.298	0.597	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)c1cc(CCC)[nH]n1	ZINC000838267708	585051551	/nfs/dbraw/zinc/05/15/51/585051551.db2.gz	RIPVNSLEOKPVJQ-NSHDSACASA-N	0	1	247.298	0.836	20	30		BCEDMN
C=CCONC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000838709204	585066214	/nfs/dbraw/zinc/06/62/14/585066214.db2.gz	RVRYZMPGEODDRR-ZETCQYMHSA-N	0	1	239.279	0.845	20	30		BCEDMN
C#CCCN1CCN(Cc2cnnn2CC)CC1	ZINC000838904358	585077687	/nfs/dbraw/zinc/07/76/87/585077687.db2.gz	ILIGPSBIFIJVGW-UHFFFAOYSA-N	0	1	247.346	0.439	20	30		BCEDMN
CS[C@H](C)C(=O)C(C#N)C(=O)NC1CC1	ZINC000103330217	585098265	/nfs/dbraw/zinc/09/82/65/585098265.db2.gz	LVEUQJBNEZECKP-SVRRBLITSA-N	0	1	226.301	0.725	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@H]2CCC(=O)O2)c1	ZINC000867012640	585105425	/nfs/dbraw/zinc/10/54/25/585105425.db2.gz	HQWOGGBVCXWSSI-SNVBAGLBSA-N	0	1	246.222	0.908	20	30		BCEDMN
C#CCN(CC#CC)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000745722618	585160556	/nfs/dbraw/zinc/16/05/56/585160556.db2.gz	XRLZTFJFYLRBAR-CYBMUJFWSA-N	0	1	247.342	0.749	20	30		BCEDMN
C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(C)C1	ZINC000745722618	585160557	/nfs/dbraw/zinc/16/05/57/585160557.db2.gz	XRLZTFJFYLRBAR-CYBMUJFWSA-N	0	1	247.342	0.749	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NCc1cc(C)[nH]n1	ZINC000745828882	585160889	/nfs/dbraw/zinc/16/08/89/585160889.db2.gz	AILRLUFPRORBCB-UHFFFAOYSA-N	0	1	244.298	0.886	20	30		BCEDMN
C=C(Cl)CNC(=O)CN1CCN(CC)CC1	ZINC000746282613	585166960	/nfs/dbraw/zinc/16/69/60/585166960.db2.gz	UUEWWERBNWFWJF-UHFFFAOYSA-N	0	1	245.754	0.493	20	30		BCEDMN
C#CCCN1CCN([C@H](C)c2nnc(C)[nH]2)CC1	ZINC000839529790	585168414	/nfs/dbraw/zinc/16/84/14/585168414.db2.gz	ZMUDDCCZBNMJIZ-LLVKDONJSA-N	0	1	247.346	0.815	20	30		BCEDMN
COCCCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000747022438	585174223	/nfs/dbraw/zinc/17/42/23/585174223.db2.gz	YLQXQDJYWMVQKT-SNVBAGLBSA-N	0	1	238.287	0.791	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N[C@H](C)c1nnc[nH]1	ZINC000748379559	585191968	/nfs/dbraw/zinc/19/19/68/585191968.db2.gz	OUAAPQUYUHNHAP-ZJUUUORDSA-N	0	1	247.302	0.080	20	30		BCEDMN
CC(C)N(C)CC(=O)Nc1cnn(CC#N)c1	ZINC000748733916	585195125	/nfs/dbraw/zinc/19/51/25/585195125.db2.gz	XYEVLVOXBFUENS-UHFFFAOYSA-N	0	1	235.291	0.685	20	30		BCEDMN
C#CCOCCN(C)[C@@H]1CCCCNC1=O	ZINC000839530723	585199128	/nfs/dbraw/zinc/19/91/28/585199128.db2.gz	DTVCMJLLVBGKEH-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C[C@H](CO)NN=Cc1cc(F)c(O)c(F)c1	ZINC000749861116	585207811	/nfs/dbraw/zinc/20/78/11/585207811.db2.gz	DSGAVYJKNFLAIX-ZCFIWIBFSA-N	0	1	230.214	0.975	20	30		BCEDMN
CO[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000750395411	585214013	/nfs/dbraw/zinc/21/40/13/585214013.db2.gz	NYBRFJWGGLZSRR-CBAPKCEASA-N	0	1	224.260	0.399	20	30		BCEDMN
Cn1nncc1C=NNCCN1CCCCC1	ZINC000751130019	585224629	/nfs/dbraw/zinc/22/46/29/585224629.db2.gz	AQOZCUPGXWZJFB-UHFFFAOYSA-N	0	1	236.323	0.225	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H]1CC1(C)C	ZINC000752478181	585246507	/nfs/dbraw/zinc/24/65/07/585246507.db2.gz	ZQRBIYSBDQMATF-BDAKNGLRSA-N	0	1	238.287	0.504	20	30		BCEDMN
C#CCCCCNC(=O)NCCN1CCC1	ZINC000752687173	585248637	/nfs/dbraw/zinc/24/86/37/585248637.db2.gz	IBKFLNFVRNJAJC-UHFFFAOYSA-N	0	1	223.320	0.795	20	30		BCEDMN
C#CC(=O)NC[C@@H]1CN(CC(C)C)CCO1	ZINC000753903072	585271898	/nfs/dbraw/zinc/27/18/98/585271898.db2.gz	UGFLHBRTGWCPGP-LLVKDONJSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CC(=O)N1CCC(c2cnc[nH]2)CC1	ZINC000754066972	585276152	/nfs/dbraw/zinc/27/61/52/585276152.db2.gz	HKZVCCAAPQNHLA-UHFFFAOYSA-N	0	1	203.245	0.749	20	30		BCEDMN
CNC(=S)NN=C1CN(C(C)C)C[C@@H]1C	ZINC000754253871	585281361	/nfs/dbraw/zinc/28/13/61/585281361.db2.gz	HXTVWOJHYHWLLG-QMMMGPOBSA-N	0	1	228.365	0.796	20	30		BCEDMN
C#CCOCCC(=O)OC[C@@H]1CCCN1CC#C	ZINC000756541500	585320901	/nfs/dbraw/zinc/32/09/01/585320901.db2.gz	HXBYTWPPTBVJAR-ZDUSSCGKSA-N	0	1	249.310	0.667	20	30		BCEDMN
C#CCCCC(=O)NC1(C#N)CCN(C)CC1	ZINC000758886673	585361063	/nfs/dbraw/zinc/36/10/63/585361063.db2.gz	CNDRQMIPXQBWBM-UHFFFAOYSA-N	0	1	233.315	0.894	20	30		BCEDMN
C#CCCCC(=O)OCCc1c[nH]nn1	ZINC000759533185	585374839	/nfs/dbraw/zinc/37/48/39/585374839.db2.gz	WPCLDZXMUORAPG-UHFFFAOYSA-N	0	1	207.233	0.694	20	30		BCEDMN
C#CCCCC(=O)OCCc1cnn[nH]1	ZINC000759533185	585374840	/nfs/dbraw/zinc/37/48/40/585374840.db2.gz	WPCLDZXMUORAPG-UHFFFAOYSA-N	0	1	207.233	0.694	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCNC(=O)C1	ZINC000760830572	585398254	/nfs/dbraw/zinc/39/82/54/585398254.db2.gz	IJQBINJNGMJGGG-JTQLQIEISA-N	0	1	212.293	0.135	20	30		BCEDMN
C#CCNC(=O)CN1CCC2(CCOC2)CC1	ZINC000761059738	585404550	/nfs/dbraw/zinc/40/45/50/585404550.db2.gz	QQUGBNIDMYBEIO-UHFFFAOYSA-N	0	1	236.315	0.238	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](C(F)F)C1	ZINC000761109882	585410191	/nfs/dbraw/zinc/41/01/91/585410191.db2.gz	PXZCLOLYLXSNQI-DTWKUNHWSA-N	0	1	230.258	0.711	20	30		BCEDMN
C[C@@H]1CC(N=Nc2nccn(C)c2=O)CN1C	ZINC000761810981	585419392	/nfs/dbraw/zinc/41/93/92/585419392.db2.gz	ANIADWKHPDGUOK-MRVPVSSYSA-N	0	1	235.291	0.272	20	30		BCEDMN
COCC#CCN1CCC(OC(C)=O)CC1	ZINC000762927761	585439664	/nfs/dbraw/zinc/43/96/64/585439664.db2.gz	VVMHKQJKVGBYTJ-UHFFFAOYSA-N	0	1	225.288	0.664	20	30		BCEDMN
Cc1cc(C(=O)NC2=NO[C@H](C)C2)on1	ZINC000763260396	585445452	/nfs/dbraw/zinc/44/54/52/585445452.db2.gz	MKIYRZQMKOIHBW-ZCFIWIBFSA-N	0	1	209.205	0.835	20	30		BCEDMN
Cc1cc(C(=O)NC2=NO[C@@H](C)C2)on1	ZINC000763260393	585445514	/nfs/dbraw/zinc/44/55/14/585445514.db2.gz	MKIYRZQMKOIHBW-LURJTMIESA-N	0	1	209.205	0.835	20	30		BCEDMN
COc1nccnc1N=NC1CN(C)C[C@@H]1C	ZINC000763409413	585447969	/nfs/dbraw/zinc/44/79/69/585447969.db2.gz	YEJBABYFFVWXAG-QMMMGPOBSA-N	0	1	235.291	0.835	20	30		BCEDMN
COc1nccnc1N=NCc1cnc[nH]1	ZINC000763424202	585448147	/nfs/dbraw/zinc/44/81/47/585448147.db2.gz	DTLVFSABLMOJEQ-UHFFFAOYSA-N	0	1	218.220	0.654	20	30		BCEDMN
COc1cc(C(=O)NC2=NO[C@@H](C)C2)on1	ZINC000764284716	585463478	/nfs/dbraw/zinc/46/34/78/585463478.db2.gz	QODLIQNIWMOOIU-YFKPBYRVSA-N	0	1	225.204	0.535	20	30		BCEDMN
C#CCN(CC)C(=O)[C@@H]1CCCCN1C	ZINC000764514246	585467243	/nfs/dbraw/zinc/46/72/43/585467243.db2.gz	JOGLGLKFYYYJJK-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCN(C(=O)N[C@@H]1CCCN(C)C1)C1CC1	ZINC000764683777	585470843	/nfs/dbraw/zinc/47/08/43/585470843.db2.gz	KEXHSCXHZSXJGO-LLVKDONJSA-N	0	1	235.331	0.888	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cn3cccnc3n2)NO1	ZINC000765378117	585484633	/nfs/dbraw/zinc/48/46/33/585484633.db2.gz	XXGNGLDYONGZTE-ZETCQYMHSA-N	0	1	245.242	0.581	20	30		BCEDMN
C#Cc1ccc(C(=O)N2CC(N(C)C)C2)cn1	ZINC000765390421	585485113	/nfs/dbraw/zinc/48/51/13/585485113.db2.gz	NUSOJNLHKGYRBF-UHFFFAOYSA-N	0	1	229.283	0.449	20	30		BCEDMN
C=CCNC(=S)NN=C1CCN2CCC[C@@H]12	ZINC000765552902	585489717	/nfs/dbraw/zinc/48/97/17/585489717.db2.gz	GKGVZZUVQGBJJP-JTQLQIEISA-N	0	1	238.360	0.861	20	30		BCEDMN
CN(C)C(=S)NN=C1CCN2CCC[C@H]12	ZINC000765574564	585489940	/nfs/dbraw/zinc/48/99/40/585489940.db2.gz	CEATYOWEPOYLQW-SECBINFHSA-N	0	1	226.349	0.647	20	30		BCEDMN
C#CC[C@H](NC(=O)c1[nH]nc(C)c1C)C(=O)OC	ZINC000839798985	585497611	/nfs/dbraw/zinc/49/76/11/585497611.db2.gz	HPLWCAPJIYUHNQ-VIFPVBQESA-N	0	1	249.270	0.321	20	30		BCEDMN
CC(C)(C(N)=O)C(=O)Nc1cc(C#N)ccc1O	ZINC000768122555	585532201	/nfs/dbraw/zinc/53/22/01/585532201.db2.gz	XBTYJHUDIASAQE-UHFFFAOYSA-N	0	1	247.254	0.714	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C	ZINC000768845378	585544663	/nfs/dbraw/zinc/54/46/63/585544663.db2.gz	HZQBAVVAVMRFEM-VXGBXAGGSA-N	0	1	238.331	0.577	20	30		BCEDMN
Cn1cc(C=NNC(=N)N)c(-c2cccs2)n1	ZINC000769570887	585559641	/nfs/dbraw/zinc/55/96/41/585559641.db2.gz	XVSYSMDCECHIMM-UHFFFAOYSA-N	0	1	248.315	0.966	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cccc(O)c1	ZINC000769905660	585566045	/nfs/dbraw/zinc/56/60/45/585566045.db2.gz	XGJQPATXRHTQPG-JTQLQIEISA-N	0	1	232.283	0.792	20	30		BCEDMN
C=C(C)COC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770510979	585574984	/nfs/dbraw/zinc/57/49/84/585574984.db2.gz	GXMVKTWPJMDQEI-UHFFFAOYSA-N	0	1	224.216	0.924	20	30		BCEDMN
C#CCCCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770518700	585575461	/nfs/dbraw/zinc/57/54/61/585575461.db2.gz	QFVGHXNZBYTZBE-UHFFFAOYSA-N	0	1	236.227	0.761	20	30		BCEDMN
CC#CCCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770516280	585575533	/nfs/dbraw/zinc/57/55/33/585575533.db2.gz	SUZVEEWZQJFTHE-UHFFFAOYSA-N	0	1	236.227	0.761	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2nccs2)NO1	ZINC000770679101	585579622	/nfs/dbraw/zinc/57/96/22/585579622.db2.gz	HIRSTEKDYMXTGE-YFKPBYRVSA-N	0	1	211.246	0.995	20	30		BCEDMN
C[C@@H]1[C@H](C)N(CC(=O)NCCC#N)CCN1C	ZINC000771463833	585594286	/nfs/dbraw/zinc/59/42/86/585594286.db2.gz	ZRPZJBJXUJAMEJ-MNOVXSKESA-N	0	1	238.335	0.041	20	30		BCEDMN
C=C(CO)C(=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000773956298	585647176	/nfs/dbraw/zinc/64/71/76/585647176.db2.gz	FPRFMGWUCDJEIB-UHFFFAOYSA-N	0	1	244.254	0.959	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](COC)c1ccccc1	ZINC000775306650	585675208	/nfs/dbraw/zinc/67/52/08/585675208.db2.gz	YTRHEFIYCRJOGC-ZDUSSCGKSA-N	0	1	246.310	0.713	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H](C)N(C)C)[C@@H]1CCCO1	ZINC000775325694	585675259	/nfs/dbraw/zinc/67/52/59/585675259.db2.gz	UGMXJZMRDDEEEL-DCAQKATOSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#C[C@@H](NCc1cnn(C)c1C)[C@H]1CCCO1	ZINC000775352957	585676598	/nfs/dbraw/zinc/67/65/98/585676598.db2.gz	YTYGBVQTPSDVKR-CHWSQXEVSA-N	0	1	233.315	0.999	20	30		BCEDMN
C#C[C@H](NC/C=C(/C)C(=O)OC)[C@@H]1CCCO1	ZINC000775797843	585685071	/nfs/dbraw/zinc/68/50/71/585685071.db2.gz	GCYKJLPHDOBDGK-XHXQXFLYSA-N	0	1	237.299	0.876	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NCCC)[C@H]1CCCO1	ZINC000775794291	585685090	/nfs/dbraw/zinc/68/50/90/585685090.db2.gz	ZRASPCQJROLKFZ-GRYCIOLGSA-N	0	1	238.331	0.672	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NCC=C)[C@@H]1CCCO1	ZINC000775801413	585685098	/nfs/dbraw/zinc/68/50/98/585685098.db2.gz	XSIXOPRMMWFJTP-SRVKXCTJSA-N	0	1	236.315	0.448	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCCN(C)C1=O)[C@H]1CCCO1	ZINC000775801196	585685433	/nfs/dbraw/zinc/68/54/33/585685433.db2.gz	WRJORBDMMWAUDM-QJPTWQEYSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCCN1CCN(Cc2nccc(C)n2)CC1	ZINC000776594082	585702093	/nfs/dbraw/zinc/70/20/93/585702093.db2.gz	TZVIABJIOHDPRA-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
Cc1nc[nH]c1C=Nn1ccccc1=O	ZINC000776790400	585705792	/nfs/dbraw/zinc/70/57/92/585705792.db2.gz	BAUCTNZIGFDMQN-UHFFFAOYSA-N	0	1	202.217	0.762	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2CCCN2C)=NO1	ZINC000777434762	585711904	/nfs/dbraw/zinc/71/19/04/585711904.db2.gz	AWIUFANKBMGCNR-SFYZADRCSA-N	0	1	211.265	0.319	20	30		BCEDMN
COC[C@@H](C)NN=C1CCN2CCC[C@H]12	ZINC000777894049	585722545	/nfs/dbraw/zinc/72/25/45/585722545.db2.gz	FMHHGBLIHPLDRQ-MWLCHTKSSA-N	0	1	211.309	0.835	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCc3c2cccc3O)N1	ZINC000779791192	585763658	/nfs/dbraw/zinc/76/36/58/585763658.db2.gz	GYVKQBSRABFBEC-MRVPVSSYSA-N	0	1	244.298	0.980	20	30		BCEDMN
Cc1noc(C)c1C=NNC1=NC[C@H](C)N1	ZINC000779792318	585763721	/nfs/dbraw/zinc/76/37/21/585763721.db2.gz	LEOZINWFHBJJSJ-LURJTMIESA-N	0	1	221.264	0.563	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccnc2)N1	ZINC000779792806	585764176	/nfs/dbraw/zinc/76/41/76/585764176.db2.gz	PKMCRKOFYBNKSK-MRVPVSSYSA-N	0	1	203.249	0.353	20	30		BCEDMN
Cc1ncc(C=NNC2=NC[C@H](C)N2)s1	ZINC000779795498	585764252	/nfs/dbraw/zinc/76/42/52/585764252.db2.gz	VBSZPPRAMOYVMK-LURJTMIESA-N	0	1	223.305	0.723	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000780243858	585774717	/nfs/dbraw/zinc/77/47/17/585774717.db2.gz	YUWMBBQMEMUZHW-MRVPVSSYSA-N	0	1	233.275	0.361	20	30		BCEDMN
CC#CCN1CCC2(CNC(=O)O2)CC1	ZINC000781994460	585806314	/nfs/dbraw/zinc/80/63/14/585806314.db2.gz	PXLLJXMZBHXTKY-UHFFFAOYSA-N	0	1	208.261	0.584	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cccc(C(N)=O)n2)NO1	ZINC000782028006	585806947	/nfs/dbraw/zinc/80/69/47/585806947.db2.gz	FDXRTFOQBDBNII-LURJTMIESA-N	0	1	248.242	0.033	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](CO)c1ccccc1	ZINC000782051771	585807441	/nfs/dbraw/zinc/80/74/41/585807441.db2.gz	CZJVOIKIGWBAOI-LBPRGKRZSA-N	0	1	232.283	0.059	20	30		BCEDMN
Cc1nc(F)ccc1C=NNC1=NC[C@H](C)N1	ZINC000782267409	585813483	/nfs/dbraw/zinc/81/34/83/585813483.db2.gz	HUOSOCRRCZMBPA-ZETCQYMHSA-N	0	1	235.266	0.800	20	30		BCEDMN
C#CCNC(=O)CN[C@H](c1cccnc1)C1CC1	ZINC000782529920	585819519	/nfs/dbraw/zinc/81/95/19/585819519.db2.gz	CVBAVAQWWVENQB-AWEZNQCLSA-N	0	1	243.310	0.872	20	30		BCEDMN
C=CCS(=O)(=O)CCNC(=O)C(F)(F)F	ZINC000783617417	585838407	/nfs/dbraw/zinc/83/84/07/585838407.db2.gz	DJWZXKRMMALCEH-UHFFFAOYSA-N	0	1	245.222	0.266	20	30		BCEDMN
C=C[C@@](C)(CCOC)C(=O)NOCCOC	ZINC000783657177	585839753	/nfs/dbraw/zinc/83/97/53/585839753.db2.gz	VBJPIENOGGTCIM-NSHDSACASA-N	0	1	231.292	0.909	20	30		BCEDMN
CCOC1CC(N(C)CC(=O)NCCC#N)C1	ZINC000805819794	585897859	/nfs/dbraw/zinc/89/78/59/585897859.db2.gz	ZHSBBFUBVCZEJM-UHFFFAOYSA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CCCN1CCN(CCOCC(F)F)CC1	ZINC000787272472	585904215	/nfs/dbraw/zinc/90/42/15/585904215.db2.gz	SUUOCTKMZFQCPP-UHFFFAOYSA-N	0	1	246.301	0.909	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCCCCC#N	ZINC000805857452	585916986	/nfs/dbraw/zinc/91/69/86/585916986.db2.gz	UWFKPNFZRXZVNN-SECBINFHSA-N	0	1	221.260	0.915	20	30		BCEDMN
N#Cc1ccccc1OCC(=O)Nc1c[nH]nn1	ZINC000789926950	585953691	/nfs/dbraw/zinc/95/36/91/585953691.db2.gz	HWXPHRDCWLYNLA-UHFFFAOYSA-N	0	1	243.226	0.694	20	30		BCEDMN
C#CCN(CC#CC)C(=O)c1[nH]nnc1C	ZINC000789962338	585955053	/nfs/dbraw/zinc/95/50/53/585955053.db2.gz	LMDPLUAWDCYDAI-UHFFFAOYSA-N	0	1	216.244	0.212	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCC[N@@H+]1CCC[C@H]1C	ZINC000790052351	585956775	/nfs/dbraw/zinc/95/67/75/585956775.db2.gz	ZCOJNGZFFBTUJX-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
CC(=NNc1nccn1C)c1ccnn1C	ZINC000790303383	585963141	/nfs/dbraw/zinc/96/31/41/585963141.db2.gz	SYHBNZZNAHTFFA-UHFFFAOYSA-N	0	1	218.264	0.990	20	30		BCEDMN
C[C@@H]1CC(N=Nc2nccn2C)CN1C	ZINC000790305263	585963283	/nfs/dbraw/zinc/96/32/83/585963283.db2.gz	HIPCGXUUXRAZQN-MRVPVSSYSA-N	0	1	207.281	0.912	20	30		BCEDMN
C#CCN(C)CC[C@H]1CCS(=O)(=O)C1	ZINC000792302151	585999427	/nfs/dbraw/zinc/99/94/27/585999427.db2.gz	NYMFKUAYTUPTNM-JTQLQIEISA-N	0	1	215.318	0.376	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ncncc1F	ZINC000793211176	586013894	/nfs/dbraw/zinc/01/38/94/586013894.db2.gz	IJTWKIBVPOCUDN-SSDOTTSWSA-N	0	1	223.255	0.965	20	30		BCEDMN
C[C@@H]1COC(=O)C1N=Nc1ncc(F)cn1	ZINC000794923308	586055333	/nfs/dbraw/zinc/05/53/33/586055333.db2.gz	OCZYPOKAFCIMHQ-RXMQYKEDSA-N	0	1	224.195	0.577	20	30		BCEDMN
Cn1nccc1CN=Nc1cncnc1	ZINC000794975965	586060451	/nfs/dbraw/zinc/06/04/51/586060451.db2.gz	ATLVJLWRWNNVIO-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
COCC(C)(C)N(C)CC(=O)NCCC#N	ZINC000795191847	586071147	/nfs/dbraw/zinc/07/11/47/586071147.db2.gz	IEDWUGZEWBVLGU-UHFFFAOYSA-N	0	1	227.308	0.373	20	30		BCEDMN
C#CCNC(=O)CN1CC(C)=C[C@H](C)C1	ZINC000797525623	586128504	/nfs/dbraw/zinc/12/85/04/586128504.db2.gz	BSZJQBYFFLMJBD-JTQLQIEISA-N	0	1	206.289	0.634	20	30		BCEDMN
C#CCNC(=O)CN1CC(C)=C[C@@H](C)C1	ZINC000797525625	586128524	/nfs/dbraw/zinc/12/85/24/586128524.db2.gz	BSZJQBYFFLMJBD-SNVBAGLBSA-N	0	1	206.289	0.634	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N1CC(C)(C#N)C1	ZINC000797761321	586130724	/nfs/dbraw/zinc/13/07/24/586130724.db2.gz	JJFFCCBZZYLGAG-UHFFFAOYSA-N	0	1	205.221	0.099	20	30		BCEDMN
C#CCCCN1CCOC[C@]12CCOC2	ZINC000799347862	586173065	/nfs/dbraw/zinc/17/30/65/586173065.db2.gz	PTVJJRFFEYMJGR-GFCCVEGCSA-N	0	1	209.289	0.891	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ncc(Cl)n2C)N1	ZINC000799486039	586180199	/nfs/dbraw/zinc/18/01/99/586180199.db2.gz	XXBFXLRFCRFEBP-LURJTMIESA-N	0	1	240.698	0.345	20	30		BCEDMN
Cc1c(C)c(O)c(C=NNC(=N)N)c(C)c1O	ZINC000799874843	586198823	/nfs/dbraw/zinc/19/88/23/586198823.db2.gz	CFAUSVILBLMLNE-UHFFFAOYSA-N	0	1	236.275	0.840	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C	ZINC000800385751	586214802	/nfs/dbraw/zinc/21/48/02/586214802.db2.gz	DUYYHZJFFHUFOK-OKJYPTKPSA-N	0	1	224.260	0.255	20	30		BCEDMN
C#CCCCN1CC[C@@H](S(C)(=O)=O)C1	ZINC000800465612	586221299	/nfs/dbraw/zinc/22/12/99/586221299.db2.gz	DNPGWOUYWMEERP-SNVBAGLBSA-N	0	1	215.318	0.519	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cn(C)c(C)n1	ZINC000800815575	586232331	/nfs/dbraw/zinc/23/23/31/586232331.db2.gz	FOPMEYKFOHOVKM-ZETCQYMHSA-N	0	1	234.307	0.390	20	30		BCEDMN
CC#CC(=O)N[C@H]1CCCN(CCOC)C1	ZINC000801151995	586243310	/nfs/dbraw/zinc/24/33/10/586243310.db2.gz	DWLXZVRCQMGZDT-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
Cc1cc(CC(=O)OCCO[C@@H](C)C#N)n[nH]1	ZINC000801846973	586273662	/nfs/dbraw/zinc/27/36/62/586273662.db2.gz	DFGLDMLUWIPUKV-VIFPVBQESA-N	0	1	237.259	0.733	20	30		BCEDMN
C[C@@H](C#N)OCCN(C)[C@@H]1CCCCNC1=O	ZINC000801917750	586276381	/nfs/dbraw/zinc/27/63/81/586276381.db2.gz	NRPBVEMUVQVARV-WDEREUQCSA-N	0	1	239.319	0.516	20	30		BCEDMN
C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cnccn1	ZINC000807979061	586454231	/nfs/dbraw/zinc/45/42/31/586454231.db2.gz	LWJSOTAHWMNLKQ-QWRGUYRKSA-N	0	1	244.302	0.671	20	30		BCEDMN
CCOC(=O)C1CCN(C[C@H](O)CC#N)CC1	ZINC000809570862	586507456	/nfs/dbraw/zinc/50/74/56/586507456.db2.gz	CWEVNGRQUVAYDP-LLVKDONJSA-N	0	1	240.303	0.536	20	30		BCEDMN
N#CC[C@@H](O)CN1CCS[C@@H]2COCC[C@H]21	ZINC000809576537	586508247	/nfs/dbraw/zinc/50/82/47/586508247.db2.gz	CGLWQIDXHZXUJJ-GMTAPVOTSA-N	0	1	242.344	0.467	20	30		BCEDMN
CON=CC(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000809711233	586514173	/nfs/dbraw/zinc/51/41/73/586514173.db2.gz	PGIZLPJLLOQGKA-UHFFFAOYSA-N	0	1	237.263	0.143	20	30		BCEDMN
C[C@H](CC#N)NN=Cc1cnc(N(C)C)n1C	ZINC000811645646	586562525	/nfs/dbraw/zinc/56/25/25/586562525.db2.gz	USZWWMGGAFTNNF-SECBINFHSA-N	0	1	234.307	0.712	20	30		BCEDMN
C=CCNC(=S)N[C@H]1CCc2nc[nH]c2C1	ZINC000811712899	586566241	/nfs/dbraw/zinc/56/62/41/586566241.db2.gz	KTACWTFSEHITKT-QMMMGPOBSA-N	0	1	236.344	0.917	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840304045	586608944	/nfs/dbraw/zinc/60/89/44/586608944.db2.gz	CKBIDTCUIMOBLI-BHNWBGBOSA-N	0	1	211.221	0.460	20	30		BCEDMN
Cn1cc(C=NNc2cccnn2)c(=O)[nH]1	ZINC000814222746	586617995	/nfs/dbraw/zinc/61/79/95/586617995.db2.gz	FAYBTCAXSWFSAD-UHFFFAOYSA-N	0	1	218.220	0.362	20	30		BCEDMN
Cc1nocc1C=NNC1=NC[C@@H](C)N1	ZINC000814898493	586645531	/nfs/dbraw/zinc/64/55/31/586645531.db2.gz	UPTYNJRDTZTWAL-ZCFIWIBFSA-N	0	1	207.237	0.254	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn(C)c2Cl)N1	ZINC000814898069	586645722	/nfs/dbraw/zinc/64/57/22/586645722.db2.gz	PQKYRRQBKJKJTF-LURJTMIESA-N	0	1	240.698	0.345	20	30		BCEDMN
Cc1nocc1C=NNC1=NC[C@H](C)N1	ZINC000814898492	586645784	/nfs/dbraw/zinc/64/57/84/586645784.db2.gz	UPTYNJRDTZTWAL-LURJTMIESA-N	0	1	207.237	0.254	20	30		BCEDMN
COc1cccc(N=NCc2cnn(C)n2)n1	ZINC000814900347	586646367	/nfs/dbraw/zinc/64/63/67/586646367.db2.gz	OTDYLDPZJOSWCS-UHFFFAOYSA-N	0	1	232.247	0.665	20	30		BCEDMN
COc1cc(C(C)N=Nc2nc[nH]n2)on1	ZINC000814931896	586653457	/nfs/dbraw/zinc/65/34/57/586653457.db2.gz	HSNVZGWXJANCHU-UHFFFAOYSA-N	0	1	222.208	0.637	20	30		BCEDMN
C[C@@H](O)CNN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000814961637	586659789	/nfs/dbraw/zinc/65/97/89/586659789.db2.gz	OMHWLEDGXAIFLF-SECBINFHSA-N	0	1	245.286	0.776	20	30		BCEDMN
CC(C)n1cc(CN=Nc2cnnn2C)nn1	ZINC000814982435	586663456	/nfs/dbraw/zinc/66/34/56/586663456.db2.gz	AJKWMMVABSWQRV-UHFFFAOYSA-N	0	1	234.267	0.434	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCc1c[nH]nn1	ZINC000815744780	586692773	/nfs/dbraw/zinc/69/27/73/586692773.db2.gz	DGDZRLSIYXIEAP-UHFFFAOYSA-N	0	1	216.191	0.632	20	30		BCEDMN
C#Cc1ccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000859806782	589062323	/nfs/dbraw/zinc/06/23/23/589062323.db2.gz	NAOWGXXNNHEMSW-CYBMUJFWSA-N	0	1	245.278	0.953	20	30		BCEDMN
C#Cc1ccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000859806782	589062325	/nfs/dbraw/zinc/06/23/25/589062325.db2.gz	NAOWGXXNNHEMSW-CYBMUJFWSA-N	0	1	245.278	0.953	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCO[C@H]3C[C@H]32)CC1	ZINC000816900151	586770258	/nfs/dbraw/zinc/77/02/58/586770258.db2.gz	IQLJTSZHVQXDAE-OLZOCXBDSA-N	0	1	248.326	0.331	20	30		BCEDMN
CC(C#N)C(=O)N(C)[C@H]1CC(C)(C)OC1=O	ZINC000817074164	586781466	/nfs/dbraw/zinc/78/14/66/586781466.db2.gz	MEWPYFUJMOOZEJ-SFYZADRCSA-N	0	1	224.260	0.699	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)[O-]	ZINC000817668689	586817185	/nfs/dbraw/zinc/81/71/85/586817185.db2.gz	VDQJYPIAHIDQET-ZJUUUORDSA-N	0	1	238.287	0.063	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)[O-]	ZINC000817668689	586817186	/nfs/dbraw/zinc/81/71/86/586817186.db2.gz	VDQJYPIAHIDQET-ZJUUUORDSA-N	0	1	238.287	0.063	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817680995	586817621	/nfs/dbraw/zinc/81/76/21/586817621.db2.gz	BNUUEQDRVNQCEW-NXEZZACHSA-N	0	1	213.277	0.720	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC(=O)[O-]	ZINC000817727843	586821771	/nfs/dbraw/zinc/82/17/71/586821771.db2.gz	LOSAUZCPAFXLBL-VIFPVBQESA-N	0	1	241.291	0.153	20	30		BCEDMN
C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000817772336	586827189	/nfs/dbraw/zinc/82/71/89/586827189.db2.gz	UWNZVMYDAFAQCF-BXKDBHETSA-N	0	1	248.282	0.997	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](CCF)C1	ZINC000859908630	589069692	/nfs/dbraw/zinc/06/96/92/589069692.db2.gz	OBXNWLDFYZMKKR-NSHDSACASA-N	0	1	242.294	0.186	20	30		BCEDMN
C#C[C@H](NC[C@H](C)S(C)(=O)=O)[C@@H]1CCCO1	ZINC000819242085	586942346	/nfs/dbraw/zinc/94/23/46/586942346.db2.gz	JKLLPOCZNIUKIK-DCAQKATOSA-N	0	1	245.344	0.190	20	30		BCEDMN
C#CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1	ZINC000819692757	586986865	/nfs/dbraw/zinc/98/68/65/586986865.db2.gz	JVSSFMYOJVKSTE-UHFFFAOYSA-N	0	1	231.259	0.963	20	30		BCEDMN
C=C(C)C[N@H+](CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819706183	586987519	/nfs/dbraw/zinc/98/75/19/586987519.db2.gz	QISJQUGLNMIAIK-SECBINFHSA-N	0	1	228.292	0.474	20	30		BCEDMN
Nc1cnccc1C=NN1CCOCC1	ZINC000819801801	586996217	/nfs/dbraw/zinc/99/62/17/586996217.db2.gz	RVMCWXPKORXJFU-UHFFFAOYSA-N	0	1	206.249	0.330	20	30		BCEDMN
Nc1cnccc1C=NN1CCC[C@H]1CO	ZINC000819814248	586998086	/nfs/dbraw/zinc/99/80/86/586998086.db2.gz	XVTZRJQSXQSAOH-JTQLQIEISA-N	0	1	220.276	0.454	20	30		BCEDMN
C[C@@H]1CC(=NNCCC(=O)[O-])CC[N@H+]1C	ZINC000820221615	587036276	/nfs/dbraw/zinc/03/62/76/587036276.db2.gz	RQJBWIVRKOFNKX-MRVPVSSYSA-N	0	1	213.281	0.521	20	30		BCEDMN
C[C@H]1CC(=NNCCC(=O)[O-])C[N@@H+]1C1CC1	ZINC000820220586	587036439	/nfs/dbraw/zinc/03/64/39/587036439.db2.gz	BLPNUQYDGIUVTA-QMMMGPOBSA-N	0	1	225.292	0.663	20	30		BCEDMN
C[C@H]1CC(=NNCCC(=O)[O-])C[N@H+]1C1CC1	ZINC000820220586	587036441	/nfs/dbraw/zinc/03/64/41/587036441.db2.gz	BLPNUQYDGIUVTA-QMMMGPOBSA-N	0	1	225.292	0.663	20	30		BCEDMN
CC(C)[N@@H+]1CC(=NNCCC(=O)[O-])[C@H](C)C1	ZINC000820245517	587038357	/nfs/dbraw/zinc/03/83/57/587038357.db2.gz	NVWMHWHLWSVUIX-SECBINFHSA-N	0	1	227.308	0.767	20	30		BCEDMN
C#CCCCCNC(=O)CCCc1nn[nH]n1	ZINC000820837483	587076064	/nfs/dbraw/zinc/07/60/64/587076064.db2.gz	LBOSOMKVBDGGOP-UHFFFAOYSA-N	0	1	235.291	0.442	20	30		BCEDMN
N#Cc1ccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)nc1	ZINC000860163842	589084923	/nfs/dbraw/zinc/08/49/23/589084923.db2.gz	AWDOSHOWXYNYOE-JQWIXIFHSA-N	0	1	243.266	0.558	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840462627	587105900	/nfs/dbraw/zinc/10/59/00/587105900.db2.gz	PPKJLCCKRAHOGV-BRDIYROLSA-N	0	1	223.232	0.460	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000821567146	587129096	/nfs/dbraw/zinc/12/90/96/587129096.db2.gz	GGDXAYXLFRWTST-YUMQZZPRSA-N	0	1	221.264	0.577	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)CN1CCCC1	ZINC000821955944	587147742	/nfs/dbraw/zinc/14/77/42/587147742.db2.gz	ZRRAZBZJTUDGHX-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C#C[C@@H](C)NC(=O)C(C)(C)CN1CCOCC1	ZINC000822082450	587151985	/nfs/dbraw/zinc/15/19/85/587151985.db2.gz	MOCATDNSKOEJHZ-LLVKDONJSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CCN(C)C(=O)C(C)(C)CN1CCOCC1	ZINC000822370112	587164136	/nfs/dbraw/zinc/16/41/36/587164136.db2.gz	JIUJCGLAUVTXCJ-UHFFFAOYSA-N	0	1	238.331	0.436	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CCCc1nn[nH]n1	ZINC000822406072	587166353	/nfs/dbraw/zinc/16/63/53/587166353.db2.gz	BOBOBMFRCYKLKI-QMMMGPOBSA-N	0	1	221.264	0.050	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822473468	587170558	/nfs/dbraw/zinc/17/05/58/587170558.db2.gz	XZHYAUWCZLXROX-IVZWLZJFSA-N	0	1	217.272	0.993	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NCc1cc(CC)[nH]n1	ZINC000823287488	587214172	/nfs/dbraw/zinc/21/41/72/587214172.db2.gz	ZUGVVRGYDWKXEI-SECBINFHSA-N	0	1	235.287	0.627	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[O-]	ZINC000823496254	587227145	/nfs/dbraw/zinc/22/71/45/587227145.db2.gz	GXFZSOKDNWAAIO-UWVGGRQHSA-N	0	1	230.308	0.901	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823495966	587227154	/nfs/dbraw/zinc/22/71/54/587227154.db2.gz	BLDMTJGGENEMNI-QWRGUYRKSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823496206	587227195	/nfs/dbraw/zinc/22/71/95/587227195.db2.gz	FVASVFSSLWMNFS-GHMZBOCLSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[O-]	ZINC000823496255	587227219	/nfs/dbraw/zinc/22/72/19/587227219.db2.gz	GXFZSOKDNWAAIO-VHSXEESVSA-N	0	1	230.308	0.901	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823496207	587227278	/nfs/dbraw/zinc/22/72/78/587227278.db2.gz	FVASVFSSLWMNFS-MNOVXSKESA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823497133	587227708	/nfs/dbraw/zinc/22/77/08/587227708.db2.gz	WMWUOQQYQCDMSQ-MNOVXSKESA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[O-]	ZINC000823507141	587228131	/nfs/dbraw/zinc/22/81/31/587228131.db2.gz	SXUTWPKPCHJADA-VIFPVBQESA-N	0	1	241.291	0.021	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[O-]	ZINC000823507141	587228132	/nfs/dbraw/zinc/22/81/32/587228132.db2.gz	SXUTWPKPCHJADA-VIFPVBQESA-N	0	1	241.291	0.021	20	30		BCEDMN
C#CCCn1cccc(-c2nn[nH]n2)c1=O	ZINC000823844664	587243183	/nfs/dbraw/zinc/24/31/83/587243183.db2.gz	FSSULUBARUELNW-UHFFFAOYSA-N	0	1	215.216	0.052	20	30		BCEDMN
CN(C)c1ccc(C=NOCC(N)=O)cc1	ZINC000823869046	587244764	/nfs/dbraw/zinc/24/47/64/587244764.db2.gz	PJXNFOJDOYNLPK-UHFFFAOYSA-N	0	1	221.260	0.588	20	30		BCEDMN
C=CCOCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1	ZINC000823925605	587246322	/nfs/dbraw/zinc/24/63/22/587246322.db2.gz	MRHACJLRIIBOPU-UHFFFAOYSA-N	0	1	249.274	0.752	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000824290895	587264869	/nfs/dbraw/zinc/26/48/69/587264869.db2.gz	SLJJLMJOIDXJJM-JTQLQIEISA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CC[N@H+]1C1CCCC1	ZINC000824484129	587272073	/nfs/dbraw/zinc/27/20/73/587272073.db2.gz	UGSZGBBIBBRMRA-NSHDSACASA-N	0	1	222.288	0.684	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H](C)N(C)C)C1CCOCC1	ZINC000824692875	587282758	/nfs/dbraw/zinc/28/27/58/587282758.db2.gz	KVJZARCXFKCLHJ-PWSUYJOCSA-N	0	1	238.331	0.481	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000824984026	587297085	/nfs/dbraw/zinc/29/70/85/587297085.db2.gz	RKPQIRJNLARERF-LLVKDONJSA-N	0	1	236.275	0.794	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)CN1CCCC1	ZINC000825080797	587303490	/nfs/dbraw/zinc/30/34/90/587303490.db2.gz	WZKFXZCFYSJRGB-LBPRGKRZSA-N	0	1	238.331	0.627	20	30		BCEDMN
C=C[C@@H](CC)CC(=O)N(C)c1nn[nH]n1	ZINC000825532336	587322125	/nfs/dbraw/zinc/32/21/25/587322125.db2.gz	VIGKZOVSELBVLU-ZETCQYMHSA-N	0	1	209.253	0.765	20	30		BCEDMN
CC#CC[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC000825710874	587333353	/nfs/dbraw/zinc/33/33/53/587333353.db2.gz	FNVITWHNJMYFNJ-UHFFFAOYSA-N	0	1	225.288	0.965	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCCOC	ZINC000826664654	587358352	/nfs/dbraw/zinc/35/83/52/587358352.db2.gz	BQKLHLYTEYKWBZ-BDAKNGLRSA-N	0	1	215.249	0.272	20	30		BCEDMN
COCCN1CC[C@@H](NC(=O)C#CC(C)C)C1	ZINC000826797356	587362724	/nfs/dbraw/zinc/36/27/24/587362724.db2.gz	RSGCZBCIFBXSEI-GFCCVEGCSA-N	0	1	238.331	0.483	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCc1cc(CC)[nH]n1	ZINC000827424415	587380745	/nfs/dbraw/zinc/38/07/45/587380745.db2.gz	FCKHBZZWOAVBAU-LLVKDONJSA-N	0	1	223.276	0.525	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCN(C)CC1(C)C	ZINC000828145670	587421471	/nfs/dbraw/zinc/42/14/71/587421471.db2.gz	QSUSMHKGAGSTDO-LLVKDONJSA-N	0	1	238.331	0.577	20	30		BCEDMN
C[N@H+](CCC#N)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000828274242	587430455	/nfs/dbraw/zinc/43/04/55/587430455.db2.gz	USULYVWJALLQOH-VIFPVBQESA-N	0	1	211.265	0.832	20	30		BCEDMN
C[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000828274242	587430456	/nfs/dbraw/zinc/43/04/56/587430456.db2.gz	USULYVWJALLQOH-VIFPVBQESA-N	0	1	211.265	0.832	20	30		BCEDMN
C[N@@H+](CCCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828277938	587430740	/nfs/dbraw/zinc/43/07/40/587430740.db2.gz	IEZLFLPQZJNGMU-SECBINFHSA-N	0	1	211.265	0.974	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NOCCOCC	ZINC000828822307	587464412	/nfs/dbraw/zinc/46/44/12/587464412.db2.gz	HLFUWRKGOWIQMY-ZJUUUORDSA-N	0	1	229.276	0.662	20	30		BCEDMN
CC[N@@H+](CCO)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829713392	587511361	/nfs/dbraw/zinc/51/13/61/587511361.db2.gz	FGZHAFRYMOZQHP-GFCCVEGCSA-N	0	1	248.282	0.998	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@H](OC(=O)N(C)C)C1	ZINC000830509482	587555080	/nfs/dbraw/zinc/55/50/80/587555080.db2.gz	KCWWVOMACMZYES-QWRGUYRKSA-N	0	1	242.319	0.696	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(CC)CCSC	ZINC000830994780	587581154	/nfs/dbraw/zinc/58/11/54/587581154.db2.gz	UXVHLGDWBVMBES-JTQLQIEISA-N	0	1	228.361	0.809	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(CC)CCSC	ZINC000830994782	587581304	/nfs/dbraw/zinc/58/13/04/587581304.db2.gz	UXVHLGDWBVMBES-SNVBAGLBSA-N	0	1	228.361	0.809	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@H]2CCCc3n[nH]nc32)=NO1	ZINC000831399554	587603598	/nfs/dbraw/zinc/60/35/98/587603598.db2.gz	OESYARXAKNBZNP-BQBZGAKWSA-N	0	1	249.274	0.463	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](OC)C(C)(C)C1	ZINC000831539787	587617861	/nfs/dbraw/zinc/61/78/61/587617861.db2.gz	XANSLXWOFXHZDM-LLVKDONJSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#C[C@H](NC(=O)C1(N(C)C)CC1)[C@@H]1CCCO1	ZINC000832411845	587658998	/nfs/dbraw/zinc/65/89/98/587658998.db2.gz	JXNOLHLITSUSMY-QWRGUYRKSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21	ZINC000832697893	587678189	/nfs/dbraw/zinc/67/81/89/587678189.db2.gz	JKQWVXHKTZYMOZ-UTUOFQBUSA-N	0	1	236.315	0.187	20	30		BCEDMN
CC(C)C#CC(=O)NC1(c2nnc[nH]2)CCC1	ZINC000832806620	587691363	/nfs/dbraw/zinc/69/13/63/587691363.db2.gz	PWXZSEZGOKUPAM-UHFFFAOYSA-N	0	1	232.287	0.960	20	30		BCEDMN
N#CCCC[N@H+](CC(=O)[O-])C1CCOCC1	ZINC000833065770	587698981	/nfs/dbraw/zinc/69/89/81/587698981.db2.gz	LPZIWVAJXPZRQA-UHFFFAOYSA-N	0	1	226.276	0.856	20	30		BCEDMN
C#CCC[N@H+](CCC(=O)[O-])C1CCOCC1	ZINC000833362475	587708147	/nfs/dbraw/zinc/70/81/47/587708147.db2.gz	UKGBKPQNZGSAOT-UHFFFAOYSA-N	0	1	225.288	0.965	20	30		BCEDMN
C#CCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833362240	587708202	/nfs/dbraw/zinc/70/82/02/587708202.db2.gz	HKHIDFNWUKTBGB-MNOVXSKESA-N	0	1	225.288	0.964	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833362365	587708342	/nfs/dbraw/zinc/70/83/42/587708342.db2.gz	OFHACFRXUHTIAE-VHSXEESVSA-N	0	1	211.261	0.574	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000833368183	587709588	/nfs/dbraw/zinc/70/95/88/587709588.db2.gz	BSEIPFLNJBQREU-KOLCDFICSA-N	0	1	213.277	0.720	20	30		BCEDMN
C=C(Cl)C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833371352	587710364	/nfs/dbraw/zinc/71/03/64/587710364.db2.gz	ZQGDVWNAPOLRAO-SECBINFHSA-N	0	1	233.695	0.896	20	30		BCEDMN
C=CC[N@@H+](CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC000833374564	587710626	/nfs/dbraw/zinc/71/06/26/587710626.db2.gz	QQEGNWAMMUNINN-VIFPVBQESA-N	0	1	238.287	0.527	20	30		BCEDMN
C=CC[N@H+](CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC000833374564	587710627	/nfs/dbraw/zinc/71/06/27/587710627.db2.gz	QQEGNWAMMUNINN-VIFPVBQESA-N	0	1	238.287	0.527	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833373829	587710696	/nfs/dbraw/zinc/71/06/96/587710696.db2.gz	FBVZDUCDWHKUFP-NXEZZACHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CCN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833376795	587711078	/nfs/dbraw/zinc/71/10/78/587711078.db2.gz	CLSQWQGAHSJPTN-JTQLQIEISA-N	0	1	212.293	0.653	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833380509	587711399	/nfs/dbraw/zinc/71/13/99/587711399.db2.gz	IEDIBRGYCXHFKK-NXEZZACHSA-N	0	1	211.261	0.574	20	30		BCEDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC#N	ZINC000833629352	587724796	/nfs/dbraw/zinc/72/47/96/587724796.db2.gz	TXBBXPIHAHQEGA-JTQLQIEISA-N	0	1	225.292	0.381	20	30		BCEDMN
C[N@H+](CCO)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833693808	587728375	/nfs/dbraw/zinc/72/83/75/587728375.db2.gz	SYUOJCZTRVXAOG-UHFFFAOYSA-N	0	1	234.255	0.681	20	30		BCEDMN
C[N@@H+](CCO)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833693808	587728377	/nfs/dbraw/zinc/72/83/77/587728377.db2.gz	SYUOJCZTRVXAOG-UHFFFAOYSA-N	0	1	234.255	0.681	20	30		BCEDMN
C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CCC#N	ZINC000833834716	587735272	/nfs/dbraw/zinc/73/52/72/587735272.db2.gz	QIJALLOUAQPTJJ-DTWKUNHWSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC#N	ZINC000833834716	587735273	/nfs/dbraw/zinc/73/52/73/587735273.db2.gz	QIJALLOUAQPTJJ-DTWKUNHWSA-N	0	1	211.265	0.878	20	30		BCEDMN
C#CCN(C1CC1)S(=O)(=O)c1ncc[nH]1	ZINC000867110244	587754306	/nfs/dbraw/zinc/75/43/06/587754306.db2.gz	XNICHBDYCMMFEN-UHFFFAOYSA-N	0	1	225.273	0.196	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC12CCOCC2	ZINC000834480088	587756125	/nfs/dbraw/zinc/75/61/25/587756125.db2.gz	KWSHNPABNHTRRG-OUAUKWLOSA-N	0	1	249.314	0.031	20	30		BCEDMN
C=CCC(CC=C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834479359	587756190	/nfs/dbraw/zinc/75/61/90/587756190.db2.gz	DJFMJCWMPKVWAO-RYUDHWBXSA-N	0	1	233.315	0.983	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCOCC1CC1	ZINC000834480678	587756354	/nfs/dbraw/zinc/75/63/54/587756354.db2.gz	USFNJCDIYDAZRO-MNOVXSKESA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(N)cc1	ZINC000834484717	587756511	/nfs/dbraw/zinc/75/65/11/587756511.db2.gz	MDGNCQFXWOQYPF-GXSJLCMTSA-N	0	1	230.271	0.110	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)CCO1	ZINC000834485338	587756517	/nfs/dbraw/zinc/75/65/17/587756517.db2.gz	VJCICROCTXRBHY-ZNSHCXBVSA-N	0	1	237.303	0.029	20	30		BCEDMN
Cc1ccc(N)cc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834484833	587756670	/nfs/dbraw/zinc/75/66/70/587756670.db2.gz	OADVZWDOQWKPJH-SKDRFNHKSA-N	0	1	244.298	0.419	20	30		BCEDMN
Cc1ccc(N)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834484832	587756761	/nfs/dbraw/zinc/75/67/61/587756761.db2.gz	OADVZWDOQWKPJH-JOYOIKCWSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1Cc2ccccc21	ZINC000834489688	587756934	/nfs/dbraw/zinc/75/69/34/587756934.db2.gz	OPOYKPSZWLIHKB-RTXFEEFZSA-N	0	1	241.294	0.554	20	30		BCEDMN
CSCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834490476	587757061	/nfs/dbraw/zinc/75/70/61/587757061.db2.gz	VIUFPFJYBDUARO-VHSXEESVSA-N	0	1	241.360	0.747	20	30		BCEDMN
CSCCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834490478	587757065	/nfs/dbraw/zinc/75/70/65/587757065.db2.gz	VIUFPFJYBDUARO-ZJUUUORDSA-N	0	1	241.360	0.747	20	30		BCEDMN
Cc1ccncc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834489043	587757143	/nfs/dbraw/zinc/75/71/43/587757143.db2.gz	IRFGTKQMKHGOJJ-KOLCDFICSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCc1ocnc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834489213	587757268	/nfs/dbraw/zinc/75/72/68/587757268.db2.gz	KSYRRDHIAMJERF-SFYZADRCSA-N	0	1	234.259	0.078	20	30		BCEDMN
CC(C)n1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)cn1	ZINC000834498817	587757343	/nfs/dbraw/zinc/75/73/43/587757343.db2.gz	BUXWSVRAYDTJRF-ONGXEEELSA-N	0	1	247.302	0.305	20	30		BCEDMN
CC(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)o1	ZINC000834499493	587757418	/nfs/dbraw/zinc/75/74/18/587757418.db2.gz	IVBZCAXDZRHOII-IUCAKERBSA-N	0	1	247.254	0.324	20	30		BCEDMN
CC(C)CO[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834495726	587757426	/nfs/dbraw/zinc/75/74/26/587757426.db2.gz	YRUKDZVZMZZLDI-MXWKQRLJSA-N	0	1	239.319	0.275	20	30		BCEDMN
Cc1cccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834495668	587757484	/nfs/dbraw/zinc/75/74/84/587757484.db2.gz	XNWLQVPYJBGOMN-STQMWFEESA-N	0	1	243.310	0.765	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\c1ccsc1	ZINC000834499392	587757507	/nfs/dbraw/zinc/75/75/07/587757507.db2.gz	IALPUWLWZQAZIK-JLVKAVFRSA-N	0	1	247.323	0.989	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)no1	ZINC000834498881	587757528	/nfs/dbraw/zinc/75/75/28/587757528.db2.gz	CNSAWMMWTUQLJD-WPRPVWTQSA-N	0	1	248.286	0.639	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1	ZINC000834505734	587757790	/nfs/dbraw/zinc/75/77/90/587757790.db2.gz	NHFYMKFFYKOLNU-ONGXEEELSA-N	0	1	233.246	0.667	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1conc1C1CC1	ZINC000834500544	587757855	/nfs/dbraw/zinc/75/78/55/587757855.db2.gz	ULORCEHZBIUJCP-PSASIEDQSA-N	0	1	246.270	0.393	20	30		BCEDMN
COc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1	ZINC000834505438	587757948	/nfs/dbraw/zinc/75/79/48/587757948.db2.gz	KUQVKUUJFVKXOG-ZYHUDNBSSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1cccnc1	ZINC000834511483	587758059	/nfs/dbraw/zinc/75/80/59/587758059.db2.gz	LMJNDBIALSXDEF-RYUDHWBXSA-N	0	1	244.298	0.242	20	30		BCEDMN
Cc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834511303	587758090	/nfs/dbraw/zinc/75/80/90/587758090.db2.gz	KIRFBTAWDJBMDF-CMPLNLGQSA-N	0	1	229.283	0.836	20	30		BCEDMN
COc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834506686	587758104	/nfs/dbraw/zinc/75/81/04/587758104.db2.gz	UZVRZPCAELMRSB-ONGXEEELSA-N	0	1	245.282	0.537	20	30		BCEDMN
Cc1ccsc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834506697	587758151	/nfs/dbraw/zinc/75/81/51/587758151.db2.gz	VGHLYIKPYVNJRA-RKDXNWHRSA-N	0	1	235.312	0.898	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1cccs1	ZINC000834512138	587758174	/nfs/dbraw/zinc/75/81/74/587758174.db2.gz	SCWJPWHHCQUHBG-KOLCDFICSA-N	0	1	249.339	0.908	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1cccnc1	ZINC000834511482	587758217	/nfs/dbraw/zinc/75/82/17/587758217.db2.gz	LMJNDBIALSXDEF-NWDGAFQWSA-N	0	1	244.298	0.242	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1	ZINC000834507270	587758394	/nfs/dbraw/zinc/75/83/94/587758394.db2.gz	ZFBMVFDVXDIYNS-NWDGAFQWSA-N	0	1	229.283	0.836	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1cccs1	ZINC000834512139	587758396	/nfs/dbraw/zinc/75/83/96/587758396.db2.gz	SCWJPWHHCQUHBG-MWLCHTKSSA-N	0	1	249.339	0.908	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1	ZINC000834507273	587758412	/nfs/dbraw/zinc/75/84/12/587758412.db2.gz	ZFBMVFDVXDIYNS-VXGBXAGGSA-N	0	1	229.283	0.836	20	30		BCEDMN
CC(C)OCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834517808	587758426	/nfs/dbraw/zinc/75/84/26/587758426.db2.gz	ZJHXRBIBHHYTAQ-VHSXEESVSA-N	0	1	225.292	0.029	20	30		BCEDMN
COCc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)o1	ZINC000834517582	587758473	/nfs/dbraw/zinc/75/84/73/587758473.db2.gz	XHHDKDREQOSLCO-SCZZXKLOSA-N	0	1	249.270	0.267	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccsc1	ZINC000834512297	587758585	/nfs/dbraw/zinc/75/85/85/587758585.db2.gz	UPJOPMAATNSECA-VHSXEESVSA-N	0	1	235.312	0.518	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccsc1	ZINC000834512296	587758691	/nfs/dbraw/zinc/75/86/91/587758691.db2.gz	UPJOPMAATNSECA-UWVGGRQHSA-N	0	1	235.312	0.518	20	30		BCEDMN
CN1CCN(NC=C2CC2(F)F)CC1	ZINC000834914808	587770663	/nfs/dbraw/zinc/77/06/63/587770663.db2.gz	UHZUDSOTFAIFSM-QMMMGPOBSA-N	0	1	203.236	0.875	20	30		BCEDMN
C[C@@H](CO)NN=C1CCCc2nc(N)ccc21	ZINC000834963191	587772918	/nfs/dbraw/zinc/77/29/18/587772918.db2.gz	BSISJEUSIVSFKP-QMMMGPOBSA-N	0	1	234.303	0.675	20	30		BCEDMN
C#C[C@H](C)N(C)S(=O)(=O)c1ncc[nH]1	ZINC000867196535	587840884	/nfs/dbraw/zinc/84/08/84/587840884.db2.gz	BSJMGWWAJHEFMH-ZETCQYMHSA-N	0	1	213.262	0.052	20	30		BCEDMN
C=CCONC(=O)C1CN(CC(F)F)C1	ZINC000837048063	587851231	/nfs/dbraw/zinc/85/12/31/587851231.db2.gz	JYILTISHWFZYND-UHFFFAOYSA-N	0	1	220.219	0.417	20	30		BCEDMN
C#CCO[C@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1	ZINC000840580394	587912531	/nfs/dbraw/zinc/91/25/31/587912531.db2.gz	UBAKZAAZMFSNPL-HTQZYQBOSA-N	0	1	237.259	0.756	20	30		BCEDMN
C=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC	ZINC000840670822	587915621	/nfs/dbraw/zinc/91/56/21/587915621.db2.gz	JZEAZJQBBKYXBB-HTQZYQBOSA-N	0	1	243.215	0.314	20	30		BCEDMN
CSC[C@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000841235372	587949661	/nfs/dbraw/zinc/94/96/61/587949661.db2.gz	YTROWIYJDWMLIR-BHNWBGBOSA-N	0	1	243.288	0.413	20	30		BCEDMN
N#Cc1ncccc1COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000841240817	587949827	/nfs/dbraw/zinc/94/98/27/587949827.db2.gz	RPYSHHJBWYBOST-PSASIEDQSA-N	0	1	247.210	0.662	20	30		BCEDMN
C[C@@H](O)CN(C)N=C1CCN2CCC[C@@H]12	ZINC000841649336	587966821	/nfs/dbraw/zinc/96/68/21/587966821.db2.gz	GIKVFOBXEGKOHQ-KOLCDFICSA-N	0	1	211.309	0.523	20	30		BCEDMN
CN1CCc2cc(C=NNC3=NCCN3)ccc21	ZINC000841659692	587969575	/nfs/dbraw/zinc/96/95/75/587969575.db2.gz	BSBVXGQPMZFIEA-UHFFFAOYSA-N	0	1	243.314	0.562	20	30		BCEDMN
COc1cccc(C=NNC2=NCCN2)c1OC	ZINC000841660731	587969590	/nfs/dbraw/zinc/96/95/90/587969590.db2.gz	HCJHOZSRBNKUIT-UHFFFAOYSA-N	0	1	248.286	0.587	20	30		BCEDMN
COCc1cccc(C=NNC2=NCCN2)c1	ZINC000841659598	587969778	/nfs/dbraw/zinc/96/97/78/587969778.db2.gz	QQNMDEIJYNSVLK-UHFFFAOYSA-N	0	1	232.287	0.716	20	30		BCEDMN
C[C@H]1CN(C2CC2)CC1N=NC1=NCCN1	ZINC000841661511	587969982	/nfs/dbraw/zinc/96/99/82/587969982.db2.gz	PWFAUKFPCWLHEG-QMMMGPOBSA-N	0	1	221.308	0.005	20	30		BCEDMN
CCCn1nc(C)c(C=NNC2=NCCN2)c1C	ZINC000841661993	587970119	/nfs/dbraw/zinc/97/01/19/587970119.db2.gz	UZLRSYWERCIPTB-UHFFFAOYSA-N	0	1	248.334	0.793	20	30		BCEDMN
C#CCOc1ccccc1CN[C@H](CO)[C@@H](C)O	ZINC000842220817	588007464	/nfs/dbraw/zinc/00/74/64/588007464.db2.gz	IFYXMVILKXOCFY-DGCLKSJQSA-N	0	1	249.310	0.530	20	30		BCEDMN
CC(C)Cn1nccc1C=NNC1=NC[C@@H](C)N1	ZINC000842530024	588033680	/nfs/dbraw/zinc/03/36/80/588033680.db2.gz	NFEKGAFERPMOHS-SNVBAGLBSA-N	0	1	248.334	0.810	20	30		BCEDMN
C#CC1CCN(CN2C[C@H](OC)CC2=O)CC1	ZINC000842634277	588047766	/nfs/dbraw/zinc/04/77/66/588047766.db2.gz	RTMNAVVEZXAMRI-GFCCVEGCSA-N	0	1	236.315	0.536	20	30		BCEDMN
C[C@@H](O)CN(C)Cc1cnc2c(C#N)cnn2c1	ZINC000843402921	588106315	/nfs/dbraw/zinc/10/63/15/588106315.db2.gz	RBEMDBUUIWNYLX-SECBINFHSA-N	0	1	245.286	0.414	20	30		BCEDMN
C#Cc1ccc(CN2CC(C)(C(N)=O)C2)cc1	ZINC000843416802	588107395	/nfs/dbraw/zinc/10/73/95/588107395.db2.gz	YFQSQFLEMMEFGF-UHFFFAOYSA-N	0	1	228.295	0.975	20	30		BCEDMN
C=C[C@H](C)NC(=O)c1[nH]nc2c1CNCC2	ZINC000843440831	588110190	/nfs/dbraw/zinc/11/01/90/588110190.db2.gz	GTRVDYTZPTWSSX-ZETCQYMHSA-N	0	1	220.276	0.360	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)[nH]1	ZINC000843459113	588111680	/nfs/dbraw/zinc/11/16/80/588111680.db2.gz	BVQCMWRBRLXKMA-MWLCHTKSSA-N	0	1	232.287	0.473	20	30		BCEDMN
CCC/C(C)=C/C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843458885	588111800	/nfs/dbraw/zinc/11/18/00/588111800.db2.gz	AVPCVUMAEQEOAA-WJHWTWHCSA-N	0	1	221.304	0.961	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)s1	ZINC000843461035	588112359	/nfs/dbraw/zinc/11/23/59/588112359.db2.gz	JIRTVGSFZXCTEF-MWLCHTKSSA-N	0	1	249.339	0.827	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1ccco1	ZINC000843461644	588112440	/nfs/dbraw/zinc/11/24/40/588112440.db2.gz	MNLTWOUBNXTEJM-ZVECUQNESA-N	0	1	231.255	0.521	20	30		BCEDMN
COCC1(CC(=O)N[C@@H]2CNC[C@H]2C#N)CC1	ZINC000843460306	588112456	/nfs/dbraw/zinc/11/24/56/588112456.db2.gz	NORIRDLEZBMREO-NXEZZACHSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1[nH]ccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843461522	588112460	/nfs/dbraw/zinc/11/24/60/588112460.db2.gz	VEWJFFOBILECKB-WCBMZHEXSA-N	0	1	218.260	0.165	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2(F)CC2)CC1	ZINC000843572105	588124830	/nfs/dbraw/zinc/12/48/30/588124830.db2.gz	CQAZUABVVRLSPY-UHFFFAOYSA-N	0	1	225.267	0.593	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)CN(C)C)C1	ZINC000844002547	588154340	/nfs/dbraw/zinc/15/43/40/588154340.db2.gz	XTTDTWXUCAOHJD-NSHDSACASA-N	0	1	208.305	0.810	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CC=CC1	ZINC000844194998	588173131	/nfs/dbraw/zinc/17/31/31/588173131.db2.gz	OPWQUPBVFZTAMA-ZJUUUORDSA-N	0	1	205.261	0.180	20	30		BCEDMN
C[C@H](CCC#N)N1CCCN(C=O)CC1	ZINC000844334279	588185631	/nfs/dbraw/zinc/18/56/31/588185631.db2.gz	WRAOALWBOWILRL-LLVKDONJSA-N	0	1	209.293	0.843	20	30		BCEDMN
C#CCNC(=O)CN1CCC([C@H](C)CO)CC1	ZINC000844415776	588191367	/nfs/dbraw/zinc/19/13/67/588191367.db2.gz	GPPYSTJJWSLFEO-LLVKDONJSA-N	0	1	238.331	0.076	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@]2(CC2(F)F)C1	ZINC000844433034	588192227	/nfs/dbraw/zinc/19/22/27/588192227.db2.gz	CLRGNSKFZVFONN-LLVKDONJSA-N	0	1	242.269	0.857	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccns2)N1	ZINC000844590241	588205809	/nfs/dbraw/zinc/20/58/09/588205809.db2.gz	NQWKPLFBADSHAU-LURJTMIESA-N	0	1	209.278	0.414	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000867363196	588213123	/nfs/dbraw/zinc/21/31/23/588213123.db2.gz	MDWMDJPZYIERIH-CMPLNLGQSA-N	0	1	248.286	0.595	20	30		BCEDMN
C=C(C)CONC(=O)N[C@H]1CCCN(C)C1	ZINC000845592348	588234415	/nfs/dbraw/zinc/23/44/15/588234415.db2.gz	BIEGUQZRYJYLLH-JTQLQIEISA-N	0	1	227.308	0.888	20	30		BCEDMN
C=C(C)CONC(=O)N[C@H](C)c1nnc[nH]1	ZINC000845605498	588235692	/nfs/dbraw/zinc/23/56/92/588235692.db2.gz	MEYSHPHVDURVBM-SSDOTTSWSA-N	0	1	225.252	0.673	20	30		BCEDMN
C=CCONC(=O)Cc1ccn(CC)n1	ZINC000846250362	588262795	/nfs/dbraw/zinc/26/27/95/588262795.db2.gz	ZOTWDHIZVFYPRX-UHFFFAOYSA-N	0	1	209.249	0.679	20	30		BCEDMN
C=C(C)CO[N-]C(=O)Cn1cc[nH+]c1C	ZINC000846533487	588270696	/nfs/dbraw/zinc/27/06/96/588270696.db2.gz	AITBVKLCBVFRQD-UHFFFAOYSA-N	0	1	209.249	0.815	20	30		BCEDMN
C=C[C@H](C)ONC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000846546502	588274205	/nfs/dbraw/zinc/27/42/05/588274205.db2.gz	CGWWIUHGODKCMF-YFKPBYRVSA-N	0	1	226.192	0.554	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)Cn1cc[nH+]c1C	ZINC000846553976	588276735	/nfs/dbraw/zinc/27/67/35/588276735.db2.gz	GFQYPVUCIBLLBG-MRVPVSSYSA-N	0	1	209.249	0.814	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC000846555789	588277208	/nfs/dbraw/zinc/27/72/08/588277208.db2.gz	ZESNMBYUBIOMQP-IVZWLZJFSA-N	0	1	212.293	0.949	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000846555789	588277209	/nfs/dbraw/zinc/27/72/09/588277209.db2.gz	ZESNMBYUBIOMQP-IVZWLZJFSA-N	0	1	212.293	0.949	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000846678643	588282194	/nfs/dbraw/zinc/28/21/94/588282194.db2.gz	WIANGUCSJKNZIK-KSSYENDESA-N	0	1	245.326	0.816	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000846678646	588282270	/nfs/dbraw/zinc/28/22/70/588282270.db2.gz	WIANGUCSJKNZIK-SJHCENCUSA-N	0	1	245.326	0.816	20	30		BCEDMN
N#Cc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000846679176	588282336	/nfs/dbraw/zinc/28/23/36/588282336.db2.gz	YQBWOINGJUEGOO-NEPJUHHUSA-N	0	1	240.266	0.400	20	30		BCEDMN
C=C1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1	ZINC000846684314	588282641	/nfs/dbraw/zinc/28/26/41/588282641.db2.gz	PVFRIZPUGLFYPF-UHFFFAOYSA-N	0	1	246.314	0.848	20	30		BCEDMN
CON1CCN(CCCSCC#N)CC1	ZINC000846974737	588299378	/nfs/dbraw/zinc/29/93/78/588299378.db2.gz	DEEJDKUBSSMUFZ-UHFFFAOYSA-N	0	1	229.349	0.812	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000847024884	588303739	/nfs/dbraw/zinc/30/37/39/588303739.db2.gz	UGTPEIOGPHMWSJ-LLVKDONJSA-N	0	1	219.288	0.361	20	30		BCEDMN
C#CCN(CC#N)C(=O)C1(N(C)C)CC1	ZINC000847170994	588308538	/nfs/dbraw/zinc/30/85/38/588308538.db2.gz	GSIRLDASPUHPND-UHFFFAOYSA-N	0	1	205.261	0.066	20	30		BCEDMN
CC(C#N)C(=O)N[C@@]1(C)CC(C)(C)OC1=O	ZINC000848151577	588361447	/nfs/dbraw/zinc/36/14/47/588361447.db2.gz	LYDNHJIHCMESST-CPCISQLKSA-N	0	1	224.260	0.746	20	30		BCEDMN
CC(C)(C)C#CC(=O)NCCc1nc[nH]n1	ZINC000848153620	588362019	/nfs/dbraw/zinc/36/20/19/588362019.db2.gz	SNESWMZGOWONED-UHFFFAOYSA-N	0	1	220.276	0.513	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000848276179	588369639	/nfs/dbraw/zinc/36/96/39/588369639.db2.gz	YRQAAQYBNWZMAA-OPRDCNLKSA-N	0	1	222.244	0.523	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnc(Cl)n2C)N1	ZINC000848408608	588379299	/nfs/dbraw/zinc/37/92/99/588379299.db2.gz	UBCYBAWBNIFTRP-ZCFIWIBFSA-N	0	1	240.698	0.345	20	30		BCEDMN
C=C[C@H](O)C(=O)O[C@@H](C)c1n[nH]c(CC)n1	ZINC000849782712	588498234	/nfs/dbraw/zinc/49/82/34/588498234.db2.gz	DSTDAALXESXBSP-BQBZGAKWSA-N	0	1	225.248	0.518	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCCC1	ZINC000850764497	588565577	/nfs/dbraw/zinc/56/55/77/588565577.db2.gz	RCMMQNSBLACYIR-KOLCDFICSA-N	0	1	238.287	0.646	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCC1	ZINC000850765283	588565682	/nfs/dbraw/zinc/56/56/82/588565682.db2.gz	YPUOMKHWCLJTST-WPRPVWTQSA-N	0	1	224.260	0.256	20	30		BCEDMN
C#CCOCCN(CCC)CC(=O)N(C)C	ZINC000851733706	588619766	/nfs/dbraw/zinc/61/97/66/588619766.db2.gz	DTDTTYBJHSLYJD-UHFFFAOYSA-N	0	1	226.320	0.436	20	30		BCEDMN
C#CCCN1CCN(CCOC(F)F)CC1	ZINC000851872894	588637551	/nfs/dbraw/zinc/63/75/51/588637551.db2.gz	MOVAEBLYMXOTAU-UHFFFAOYSA-N	0	1	232.274	0.867	20	30		BCEDMN
C=C(C)C[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851909359	588642381	/nfs/dbraw/zinc/64/23/81/588642381.db2.gz	CJBISXXXAIWYJD-AWEZNQCLSA-N	0	1	248.326	0.867	20	30		BCEDMN
C#C[C@@H](C)N(C)CCc1nnn(C(C)(C)C)n1	ZINC000851990314	588652683	/nfs/dbraw/zinc/65/26/83/588652683.db2.gz	QTKLUAJFJDPODM-SNVBAGLBSA-N	0	1	235.335	0.924	20	30		BCEDMN
C#CCOCCN1CCO[C@@]2(CCO[C@H]2C)C1	ZINC000851999142	588653708	/nfs/dbraw/zinc/65/37/08/588653708.db2.gz	YODOHBKYXPPWRZ-STQMWFEESA-N	0	1	239.315	0.516	20	30		BCEDMN
C#CCOCCN1CCO[C@]2(CCCOC2)C1	ZINC000852038238	588656830	/nfs/dbraw/zinc/65/68/30/588656830.db2.gz	LJXFPXICLHLEKR-CYBMUJFWSA-N	0	1	239.315	0.518	20	30		BCEDMN
C#C[C@](C)(CC)NCC(=O)Nc1cnccn1	ZINC000852104979	588663715	/nfs/dbraw/zinc/66/37/15/588663715.db2.gz	RAWOUPOUGXNOGI-GFCCVEGCSA-N	0	1	232.287	0.807	20	30		BCEDMN
C#CCCCCNC(=O)N(C)CC1CN(C)C1	ZINC000852201729	588671578	/nfs/dbraw/zinc/67/15/78/588671578.db2.gz	MMAAZSCJJXUOGH-UHFFFAOYSA-N	0	1	237.347	0.993	20	30		BCEDMN
C=CC[N@H+](CC[S@](C)=O)[C@H](C)COC	ZINC000852356572	588679571	/nfs/dbraw/zinc/67/95/71/588679571.db2.gz	INHYZYYDBKIFFN-YGRLFVJLSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CCN(CC[S@](C)=O)[C@H](C)COC	ZINC000852356572	588679572	/nfs/dbraw/zinc/67/95/72/588679572.db2.gz	INHYZYYDBKIFFN-YGRLFVJLSA-N	0	1	219.350	0.888	20	30		BCEDMN
CC#CCN1CCC(N2CCOC2=O)CC1	ZINC000852721328	588698110	/nfs/dbraw/zinc/69/81/10/588698110.db2.gz	MPPQORSDVWHETM-UHFFFAOYSA-N	0	1	222.288	0.926	20	30		BCEDMN
C#CCCN(CCOC)CC(OC)OC	ZINC000852748907	588699391	/nfs/dbraw/zinc/69/93/91/588699391.db2.gz	KSWHSGIGWYGRLX-UHFFFAOYSA-N	0	1	215.293	0.577	20	30		BCEDMN
CO[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C1CCC1	ZINC000852827096	588706072	/nfs/dbraw/zinc/70/60/72/588706072.db2.gz	BINACFSNFLRUOL-MXWKQRLJSA-N	0	1	237.303	0.029	20	30		BCEDMN
C[C@H](Cc1ccco1)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852827527	588706304	/nfs/dbraw/zinc/70/63/04/588706304.db2.gz	KBHGPZXLKMLJFG-SCVCMEIPSA-N	0	1	247.298	0.686	20	30		BCEDMN
Cc1ccncc1CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852828246	588706306	/nfs/dbraw/zinc/70/63/06/588706306.db2.gz	WIBOBFDXGGQSMD-NEPJUHHUSA-N	0	1	244.298	0.160	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CC2(CC2)C1	ZINC000852827345	588706323	/nfs/dbraw/zinc/70/63/23/588706323.db2.gz	GZLATTKJEJRBRK-VHSXEESVSA-N	0	1	219.288	0.404	20	30		BCEDMN
Cc1ccoc1CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852827312	588706345	/nfs/dbraw/zinc/70/63/45/588706345.db2.gz	GJRCKQJIKKWAKK-UWVGGRQHSA-N	0	1	233.271	0.358	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CC2(CC2)C1	ZINC000852827344	588706427	/nfs/dbraw/zinc/70/64/27/588706427.db2.gz	GZLATTKJEJRBRK-UWVGGRQHSA-N	0	1	219.288	0.404	20	30		BCEDMN
CCC(F)(F)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852874557	588709953	/nfs/dbraw/zinc/70/99/53/588709953.db2.gz	AVJCPQIIIWDNGZ-BQBZGAKWSA-N	0	1	217.219	0.259	20	30		BCEDMN
C#CC[C@H](COC)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000861274696	589156043	/nfs/dbraw/zinc/15/60/43/589156043.db2.gz	GYPXLTRSKDCAHD-IWSPIJDZSA-N	0	1	227.216	0.233	20	30		BCEDMN
O=C(C#CC1CC1)N1CCc2nc[nH]c2C1	ZINC000861763149	589177112	/nfs/dbraw/zinc/17/71/12/589177112.db2.gz	KHRXRASQYYFNCF-UHFFFAOYSA-N	0	1	215.256	0.708	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCc2nc[nH]c2C1	ZINC000861763560	589177266	/nfs/dbraw/zinc/17/72/66/589177266.db2.gz	UCFMMZBDGQLVMR-SECBINFHSA-N	0	1	233.271	0.333	20	30		BCEDMN
C=C(C)CO[N-]C(=O)Cn1c[nH+]cc1C	ZINC000862132278	589192475	/nfs/dbraw/zinc/19/24/75/589192475.db2.gz	CUNDPCOVDBYSFN-UHFFFAOYSA-N	0	1	209.249	0.815	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)Cn1c[nH+]cc1C	ZINC000862133276	589192702	/nfs/dbraw/zinc/19/27/02/589192702.db2.gz	WGVAJZSYNHYBND-VIFPVBQESA-N	0	1	209.249	0.814	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)c2[nH]nnc2C)C1	ZINC000862573205	589224792	/nfs/dbraw/zinc/22/47/92/589224792.db2.gz	UVRJHNKXYSBMFN-VIFPVBQESA-N	0	1	218.260	0.599	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1	ZINC000862576274	589225208	/nfs/dbraw/zinc/22/52/08/589225208.db2.gz	BXFPCNXXRVWBBZ-SECBINFHSA-N	0	1	233.271	0.611	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccnc(F)c2)N1	ZINC000863105569	589256657	/nfs/dbraw/zinc/25/66/57/589256657.db2.gz	UWRMGIPAXGPERE-SSDOTTSWSA-N	0	1	221.239	0.492	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc3n[nH]cc32)N1	ZINC000863105615	589256705	/nfs/dbraw/zinc/25/67/05/589256705.db2.gz	VYDLGCXMYNOFHV-QMMMGPOBSA-N	0	1	242.286	0.834	20	30		BCEDMN
Cn1nncc1N=NC1C[N@H+]2C[C@@H]1CCC2	ZINC000863117594	589259595	/nfs/dbraw/zinc/25/95/95/589259595.db2.gz	XOTBUOHVAFIPEV-QMMMGPOBSA-N	0	1	220.280	0.309	20	30		BCEDMN
CC(=NNc1ccncc1C)c1cnn(C)n1	ZINC000863158253	589263644	/nfs/dbraw/zinc/26/36/44/589263644.db2.gz	SWRMGBHGZZYJNQ-UHFFFAOYSA-N	0	1	230.275	0.777	20	30		BCEDMN
Cc1cnccc1NN=C1CCN(C)C1=O	ZINC000863157491	589263736	/nfs/dbraw/zinc/26/37/36/589263736.db2.gz	BLSAMNAUZGBWQI-UHFFFAOYSA-N	0	1	218.260	0.442	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)Cc1cc(C)n[nH]1	ZINC000863801168	589319476	/nfs/dbraw/zinc/31/94/76/589319476.db2.gz	WGTGOFCFNVVZGZ-SNVBAGLBSA-N	0	1	235.287	0.415	20	30		BCEDMN
C#CCCN1CCN(Cc2ncc[nH]2)CC1	ZINC000119654724	589322053	/nfs/dbraw/zinc/32/20/53/589322053.db2.gz	NHQLMZXKQHWEPQ-UHFFFAOYSA-N	0	1	218.304	0.551	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CN(C)C1CCC1	ZINC000863910269	589325623	/nfs/dbraw/zinc/32/56/23/589325623.db2.gz	WNRCFXQFTKMFOT-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864979757	589401832	/nfs/dbraw/zinc/40/18/32/589401832.db2.gz	QMRUKQBOBUOSSN-IONNQARKSA-N	0	1	222.248	0.061	20	30		BCEDMN
C#CCCNC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000868252028	589552743	/nfs/dbraw/zinc/55/27/43/589552743.db2.gz	BKDSZCZAVSKRFZ-GFCCVEGCSA-N	0	1	237.347	0.991	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1c[nH]nn1)C(C)(C)C	ZINC000868370655	589556288	/nfs/dbraw/zinc/55/62/88/589556288.db2.gz	LMPYBCPLXYFSOK-JTQLQIEISA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnn[nH]1)C(C)(C)C	ZINC000868370655	589556290	/nfs/dbraw/zinc/55/62/90/589556290.db2.gz	LMPYBCPLXYFSOK-JTQLQIEISA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)Cc1nnc[nH]1	ZINC000868629804	589569473	/nfs/dbraw/zinc/56/94/73/589569473.db2.gz	NLBMSOWCSLRFTP-SNVBAGLBSA-N	0	1	206.249	0.265	20	30		BCEDMN
C[C@H](C#N)N(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000869254759	589594686	/nfs/dbraw/zinc/59/46/86/589594686.db2.gz	VUSFEKKYRGQULE-XCBNKYQSSA-N	0	1	234.259	0.346	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869393602	589602977	/nfs/dbraw/zinc/60/29/77/589602977.db2.gz	OCZLKOJDRBYGGT-MWLCHTKSSA-N	0	1	233.271	0.315	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869394674	589603505	/nfs/dbraw/zinc/60/35/05/589603505.db2.gz	WEPWDEVAZCBNKG-SNVBAGLBSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869394674	589603507	/nfs/dbraw/zinc/60/35/07/589603507.db2.gz	WEPWDEVAZCBNKG-SNVBAGLBSA-N	0	1	232.287	0.609	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C	ZINC000870154095	589646016	/nfs/dbraw/zinc/64/60/16/589646016.db2.gz	YMVKHVJCKHZTDA-VVULQXIFSA-N	0	1	220.272	0.733	20	30		BCEDMN
C=C[C@@H](OC(=O)[C@@H](C(C)C)N(C)C)C(=O)OC	ZINC000870532535	589672020	/nfs/dbraw/zinc/67/20/20/589672020.db2.gz	WTGUTMRBNMDZON-NXEZZACHSA-N	0	1	243.303	0.843	20	30		BCEDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C#N	ZINC000870668564	589681742	/nfs/dbraw/zinc/68/17/42/589681742.db2.gz	CJLCLAMOFMCMGD-ZYUZMQFOSA-N	0	1	237.259	0.802	20	30		BCEDMN
C[N@H+]1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870689933	589684134	/nfs/dbraw/zinc/68/41/34/589684134.db2.gz	DVOCSKRMUJOUBR-NSHDSACASA-N	0	1	245.282	0.920	20	30		BCEDMN
C[C@H]1CN(C(=O)c2coc(C#N)c2)CCN1	ZINC000870913162	589696760	/nfs/dbraw/zinc/69/67/60/589696760.db2.gz	RMZKLBTWIPXZFS-QMMMGPOBSA-N	0	1	219.244	0.585	20	30		BCEDMN
Cc1cc(F)ncc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000870940887	589699748	/nfs/dbraw/zinc/69/97/48/589699748.db2.gz	NOILUOYZWVZBPI-WPRPVWTQSA-N	0	1	248.261	0.371	20	30		BCEDMN
Cc1cc(F)ncc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000870940883	589699750	/nfs/dbraw/zinc/69/97/50/589699750.db2.gz	NOILUOYZWVZBPI-SCZZXKLOSA-N	0	1	248.261	0.371	20	30		BCEDMN
C[C@@H](C#N)CNC[C@@H](O)CC(C)(C)O	ZINC000872200491	589890148	/nfs/dbraw/zinc/89/01/48/589890148.db2.gz	IQXLBKNSLDTGRG-IUCAKERBSA-N	0	1	200.282	0.258	20	30		BCEDMN
CC(C)(O)C[C@@H](O)CNCC(C)(C)C#N	ZINC000872205626	589892416	/nfs/dbraw/zinc/89/24/16/589892416.db2.gz	KIZNOSOKKCGWSY-SECBINFHSA-N	0	1	214.309	0.648	20	30		BCEDMN
Cc1ccnc(N)c1C=NN1CCN(C)CC1	ZINC000872325420	589913083	/nfs/dbraw/zinc/91/30/83/589913083.db2.gz	QRRVLRYEVFGXFN-UHFFFAOYSA-N	0	1	233.319	0.554	20	30		BCEDMN
C[C@@H]1C(N=Nc2cnccn2)CCN1C	ZINC000872341669	589915009	/nfs/dbraw/zinc/91/50/09/589915009.db2.gz	WPWSUMAAIVBIFZ-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
COc1nccnc1N=NC1CCN(C)[C@@H]1C	ZINC000872366685	589921308	/nfs/dbraw/zinc/92/13/08/589921308.db2.gz	HWBTUNQUPHKTIW-MRVPVSSYSA-N	0	1	235.291	0.977	20	30		BCEDMN
C[C@@H]1C(N=Nc2cnn(C)c2)CCN1C	ZINC000872369518	589923121	/nfs/dbraw/zinc/92/31/21/589923121.db2.gz	LOZSTYTVMHHHGD-MRVPVSSYSA-N	0	1	207.281	0.912	20	30		BCEDMN
COCCN(C)N=Cc1c(C)ccnc1N	ZINC000872372743	589923903	/nfs/dbraw/zinc/92/39/03/589923903.db2.gz	KYPKZMPOBYPQMF-UHFFFAOYSA-N	0	1	222.292	0.884	20	30		BCEDMN
CC[C@H](NN=C1CC[N@H+](C)[C@H]1C)C(=O)[O-]	ZINC000872376492	589925772	/nfs/dbraw/zinc/92/57/72/589925772.db2.gz	LNRFHADWXCRUJA-YUMQZZPRSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@H](NN=C1CC[N@@H+](C)[C@H]1C)C(=O)[O-]	ZINC000872376492	589925773	/nfs/dbraw/zinc/92/57/73/589925773.db2.gz	LNRFHADWXCRUJA-YUMQZZPRSA-N	0	1	213.281	0.519	20	30		BCEDMN
C[C@H]1C(N=Nc2ccncn2)CCN1C	ZINC000872381162	589927993	/nfs/dbraw/zinc/92/79/93/589927993.db2.gz	XMZWRLZFZNAMTE-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
CCN(CCO)N=Cc1c(C)ccnc1N	ZINC000872384075	589928868	/nfs/dbraw/zinc/92/88/68/589928868.db2.gz	CGNCDNJKBLYKQA-UHFFFAOYSA-N	0	1	222.292	0.620	20	30		BCEDMN
C#CCCN1CCN(C(=O)[C@@H](C)N(C)C)CC1	ZINC000874263650	590101129	/nfs/dbraw/zinc/10/11/29/590101129.db2.gz	LKDRIEGXCOKIIZ-GFCCVEGCSA-N	0	1	237.347	0.104	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)CCc2nn[nH]n2)CC1	ZINC000874859117	590149281	/nfs/dbraw/zinc/14/92/81/590149281.db2.gz	FDYGJYUQDMVGRZ-MGCOHNPYSA-N	0	1	247.302	0.441	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)NCCN1CCC1	ZINC000875925148	590177684	/nfs/dbraw/zinc/17/76/84/590177684.db2.gz	MRWHFKBDAWUMNG-NSHDSACASA-N	0	1	239.319	0.030	20	30		BCEDMN
C#CCCCCCCN1CCO[C@H](C(N)=O)C1	ZINC000876658271	590223715	/nfs/dbraw/zinc/22/37/15/590223715.db2.gz	RHRWDKMYEGSTKF-LBPRGKRZSA-N	0	1	238.331	0.756	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccnc1F	ZINC000876801435	590243066	/nfs/dbraw/zinc/24/30/66/590243066.db2.gz	CFEBNPWTXQMGFH-IONNQARKSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CCC=CCC1	ZINC000876801306	590243087	/nfs/dbraw/zinc/24/30/87/590243087.db2.gz	AUIBVLQOEJZZDJ-RYUDHWBXSA-N	0	1	233.315	0.961	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cnn(C2CC2)c1	ZINC000876801348	590243131	/nfs/dbraw/zinc/24/31/31/590243131.db2.gz	BLOGLAGXUJKVDS-GZMMTYOYSA-N	0	1	245.286	0.059	20	30		BCEDMN
Cc1cocc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876801264	590243170	/nfs/dbraw/zinc/24/31/70/590243170.db2.gz	AELPVKAKRINYJP-WPRPVWTQSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccnc1F	ZINC000876801433	590243172	/nfs/dbraw/zinc/24/31/72/590243172.db2.gz	CFEBNPWTXQMGFH-APPZFPTMSA-N	0	1	234.234	0.062	20	30		BCEDMN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876801761	590243429	/nfs/dbraw/zinc/24/34/29/590243429.db2.gz	ILNMVORKBXZSIE-HAVMIZHYSA-N	0	1	233.315	0.506	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)[C@@H](C)O1	ZINC000876802255	590243466	/nfs/dbraw/zinc/24/34/66/590243466.db2.gz	NMZUPDJAXOMVGW-SAVGLBRCSA-N	0	1	237.303	0.028	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1(C(F)F)CCC1	ZINC000876802501	590243634	/nfs/dbraw/zinc/24/36/34/590243634.db2.gz	PLYDULLYGABINQ-YUMQZZPRSA-N	0	1	243.257	0.650	20	30		BCEDMN
CCC[C@H](OCC)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876803913	590243749	/nfs/dbraw/zinc/24/37/49/590243749.db2.gz	ZKROLSMPQNITNH-DCAQKATOSA-N	0	1	239.319	0.419	20	30		BCEDMN
CC1=C(C(=O)N[C@H]2CNC[C@H]2C#N)CCCO1	ZINC000876803394	590243751	/nfs/dbraw/zinc/24/37/51/590243751.db2.gz	WEPKCWCHTUAJRT-KOLCDFICSA-N	0	1	235.287	0.299	20	30		BCEDMN
CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876803023	590244075	/nfs/dbraw/zinc/24/40/75/590244075.db2.gz	UFKWDCCQLBCEPS-DBIOUOCHSA-N	0	1	235.331	0.896	20	30		BCEDMN
C#CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21	ZINC000876943291	590259447	/nfs/dbraw/zinc/25/94/47/590259447.db2.gz	OTTKKCRINVFPTH-ZDUSSCGKSA-N	0	1	239.278	0.494	20	30		BCEDMN
C=CCCCC(=O)NC[C@@H]1COCCN1	ZINC000877038969	590272911	/nfs/dbraw/zinc/27/29/11/590272911.db2.gz	CLZHTDAWTDYYGV-SNVBAGLBSA-N	0	1	212.293	0.447	20	30		BCEDMN
C=CC[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1	ZINC000877940170	590453388	/nfs/dbraw/zinc/45/33/88/590453388.db2.gz	KUYJWNMMNOKDNR-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
C=C1CCN(CCc2nnnn2C)CC1	ZINC000878086789	590489588	/nfs/dbraw/zinc/48/95/88/590489588.db2.gz	BNFSYSCUDBVATG-UHFFFAOYSA-N	0	1	207.281	0.405	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)Cc1nnc[nH]1	ZINC000878176305	590515924	/nfs/dbraw/zinc/51/59/24/590515924.db2.gz	JUMPRGPQZXISIB-MRVPVSSYSA-N	0	1	224.264	0.354	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(C(=O)CO)CC1	ZINC000878305240	590538472	/nfs/dbraw/zinc/53/84/72/590538472.db2.gz	VAFCFSGKVAJFCD-SNVBAGLBSA-N	0	1	212.293	0.088	20	30		BCEDMN
CC(C)[C@@H](O)CCN1CCN(CCC#N)CC1	ZINC000878312326	590541120	/nfs/dbraw/zinc/54/11/20/590541120.db2.gz	JGFWOAJJXMSQEE-ZDUSSCGKSA-N	0	1	239.363	0.925	20	30		BCEDMN
C[C@H]1CN(Cc2ccc(C#N)o2)C[C@H]1O	ZINC000878335072	590549422	/nfs/dbraw/zinc/54/94/22/590549422.db2.gz	HTSVOUQCMRWIDV-GZMMTYOYSA-N	0	1	206.245	0.964	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000878379460	590556532	/nfs/dbraw/zinc/55/65/32/590556532.db2.gz	LXSLSQNQQCGOQW-MNOVXSKESA-N	0	1	246.376	0.917	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H]([C@H](C)O)C1	ZINC000878391002	590558816	/nfs/dbraw/zinc/55/88/16/590558816.db2.gz	GLZXRRHVSKAKMA-HBNTYKKESA-N	0	1	227.304	0.807	20	30		BCEDMN
C#CCCCCCN1CCO[C@H](C(=O)NC)C1	ZINC000878396342	590560136	/nfs/dbraw/zinc/56/01/36/590560136.db2.gz	KXUZJQMHDQSLQJ-LBPRGKRZSA-N	0	1	238.331	0.627	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H](O)[C@H](C)C1	ZINC000878464406	590571977	/nfs/dbraw/zinc/57/19/77/590571977.db2.gz	XCCPLIVEMFKUDP-MXWKQRLJSA-N	0	1	227.304	0.807	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21	ZINC000878517524	590585810	/nfs/dbraw/zinc/58/58/10/590585810.db2.gz	SLJAGWOJZNLQGM-UWVGGRQHSA-N	0	1	204.277	0.719	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H](CC(N)=O)C1	ZINC000878622048	590597281	/nfs/dbraw/zinc/59/72/81/590597281.db2.gz	RGNYWHDEEMJKAK-NXEZZACHSA-N	0	1	240.303	0.301	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)CC(C)(C)O	ZINC000878698123	590611614	/nfs/dbraw/zinc/61/16/14/590611614.db2.gz	BFEXPRFMNYTCAQ-UWVGGRQHSA-N	0	1	214.309	0.790	20	30		BCEDMN
C=CC[N@H+](CCc1nnnn1C)[C@@H](C)COC	ZINC000878889874	590642195	/nfs/dbraw/zinc/64/21/95/590642195.db2.gz	LKBLPCPJHNYROH-JTQLQIEISA-N	0	1	239.323	0.276	20	30		BCEDMN
C#CCN(C[C@H](O)COC(C)C)C1CSC1	ZINC000878909120	590645734	/nfs/dbraw/zinc/64/57/34/590645734.db2.gz	KTVNULCSCLPWHH-LBPRGKRZSA-N	0	1	243.372	0.823	20	30		BCEDMN
C#CCN(CC1(CO)COC1)C1CSC1	ZINC000878912623	590648677	/nfs/dbraw/zinc/64/86/77/590648677.db2.gz	IUXWIQFSWMJJIX-UHFFFAOYSA-N	0	1	227.329	0.046	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@@H](Cn2ccnn2)C1	ZINC000878985475	590668489	/nfs/dbraw/zinc/66/84/89/590668489.db2.gz	FQMQUXXBTYLSTN-NWDGAFQWSA-N	0	1	236.319	0.944	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1Cc1ccc(C#N)o1	ZINC000878980801	590668705	/nfs/dbraw/zinc/66/87/05/590668705.db2.gz	FMXJMPWHQUKSSW-JOYOIKCWSA-N	0	1	236.271	0.469	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(SC)CC1	ZINC000879095548	590696779	/nfs/dbraw/zinc/69/67/79/590696779.db2.gz	COUYLQQSCAKRLY-JTQLQIEISA-N	0	1	240.372	0.952	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](OC)CC[C@H]1C	ZINC000879317800	590739067	/nfs/dbraw/zinc/73/90/67/590739067.db2.gz	HVWJEINJNWFRJS-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
CN(CCc1cccc(C#N)c1)[C@@H]1CCNC1=O	ZINC000879433741	590768919	/nfs/dbraw/zinc/76/89/19/590768919.db2.gz	CWYIKOYPNVXQSM-CYBMUJFWSA-N	0	1	243.310	0.921	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](O)CC(C)(C)C1	ZINC000879617260	590832283	/nfs/dbraw/zinc/83/22/83/590832283.db2.gz	MQHBGTMLEHNBKV-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1C[C@H](O)CC(C)(C)C1	ZINC000879618399	590832574	/nfs/dbraw/zinc/83/25/74/590832574.db2.gz	XTOUNFISFHLURN-WDEREUQCSA-N	0	1	240.347	0.770	20	30		BCEDMN
COCC#CCN1CCC(C(=O)NOC)CC1	ZINC000879924867	590890390	/nfs/dbraw/zinc/89/03/90/590890390.db2.gz	WFDOVPILCHUBGO-UHFFFAOYSA-N	0	1	240.303	0.026	20	30		BCEDMN
C#CCONC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C	ZINC000880079686	590919890	/nfs/dbraw/zinc/91/98/90/590919890.db2.gz	SMSGLWNVUCXBGJ-KWQFWETISA-N	0	1	233.271	0.757	20	30		BCEDMN
C#CCCCCCN(C)CCS(N)(=O)=O	ZINC000880085832	590922221	/nfs/dbraw/zinc/92/22/21/590922221.db2.gz	WUUPDUHQLQUOOE-UHFFFAOYSA-N	0	1	232.349	0.400	20	30		BCEDMN
N#CCCNC(=O)CN1CCC[C@H](CF)C1	ZINC000880235006	590965940	/nfs/dbraw/zinc/96/59/40/590965940.db2.gz	MRELQGKXHMLOLW-SNVBAGLBSA-N	0	1	227.283	0.698	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CF)C1	ZINC000880290737	590984656	/nfs/dbraw/zinc/98/46/56/590984656.db2.gz	CACLYLKYVFETMQ-ZJUUUORDSA-N	0	1	212.268	0.416	20	30		BCEDMN
C=CCC[N@H+]1CCC(=O)NCC12COC2	ZINC000880399797	591021600	/nfs/dbraw/zinc/02/16/00/591021600.db2.gz	JHLOYUPAVYQNNW-UHFFFAOYSA-N	0	1	210.277	0.153	20	30		BCEDMN
C=CCCN1CCC(=O)NCC12COC2	ZINC000880399797	591021605	/nfs/dbraw/zinc/02/16/05/591021605.db2.gz	JHLOYUPAVYQNNW-UHFFFAOYSA-N	0	1	210.277	0.153	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H]1CCOC[C@H]1OC	ZINC000880424225	591031027	/nfs/dbraw/zinc/03/10/27/591031027.db2.gz	GNCNFJFJPZRMQC-WDEREUQCSA-N	0	1	242.319	0.024	20	30		BCEDMN
N#Cc1ccc([C@H](O)CN2CC=C[C@H]2CO)cc1	ZINC000880486387	591061637	/nfs/dbraw/zinc/06/16/37/591061637.db2.gz	BGKWULCGCHLOKO-UONOGXRCSA-N	0	1	244.294	0.824	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC=C[C@H]2CO)C1=O	ZINC000880491136	591066586	/nfs/dbraw/zinc/06/65/86/591066586.db2.gz	GYZCNZZXWCDVSZ-WDEREUQCSA-N	0	1	222.288	0.006	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC=C[C@@H]2CO)C1=O	ZINC000880491133	591068171	/nfs/dbraw/zinc/06/81/71/591068171.db2.gz	GYZCNZZXWCDVSZ-GHMZBOCLSA-N	0	1	222.288	0.006	20	30		BCEDMN
COC(=O)[C@]1(O)CCN(CC2(CC#N)CC2)C1	ZINC000880566789	591097007	/nfs/dbraw/zinc/09/70/07/591097007.db2.gz	AWLGREQKBZUSCE-LBPRGKRZSA-N	0	1	238.287	0.290	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1	ZINC000881938874	591280624	/nfs/dbraw/zinc/28/06/24/591280624.db2.gz	ZXSVYXIBBJAQKG-VIFPVBQESA-N	0	1	235.262	0.772	20	30		BCEDMN
C#CC1(F)CN(C(=O)c2cnc(C)[nH]2)C1	ZINC000881943592	591282402	/nfs/dbraw/zinc/28/24/02/591282402.db2.gz	GSDGCZZREGMTGN-UHFFFAOYSA-N	0	1	207.208	0.515	20	30		BCEDMN
N#CC(C(=O)C[C@H]1CCCO1)C(=O)NC1CC1	ZINC000129553515	591322316	/nfs/dbraw/zinc/32/23/16/591322316.db2.gz	UZACBUOQCJXKEC-NXEZZACHSA-N	0	1	236.271	0.543	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1cc(C#N)cn1C	ZINC000882487942	591364276	/nfs/dbraw/zinc/36/42/76/591364276.db2.gz	LTZHZDRKHFPSHV-LLVKDONJSA-N	0	1	246.314	0.721	20	30		BCEDMN
C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC)nc1	ZINC000882486984	591365064	/nfs/dbraw/zinc/36/50/64/591365064.db2.gz	ZJOZCDNZMOWDRG-LBPRGKRZSA-N	0	1	243.310	0.887	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NC[C@H]1CCN1CC	ZINC000882492549	591371260	/nfs/dbraw/zinc/37/12/60/591371260.db2.gz	AIEZMOAGGKFLLN-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1cccc(C#N)n1	ZINC000882492538	591372191	/nfs/dbraw/zinc/37/21/91/591372191.db2.gz	QQRADKLWNBMMEN-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@H](C)N(C)C	ZINC000882903456	591471321	/nfs/dbraw/zinc/47/13/21/591471321.db2.gz	CRDPWZWRAPZASA-VHSXEESVSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)Cc1cc(C)n[nH]1	ZINC000882896582	591469098	/nfs/dbraw/zinc/46/90/98/591469098.db2.gz	LKTIJEQMJBOLRA-NSHDSACASA-N	0	1	237.303	0.704	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc(CC)nc1	ZINC000883125425	591539685	/nfs/dbraw/zinc/53/96/85/591539685.db2.gz	ITQSAHMXTRRTHX-NSHDSACASA-N	0	1	219.288	0.513	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccc(C)nn1	ZINC000883156747	591555427	/nfs/dbraw/zinc/55/54/27/591555427.db2.gz	XVIADKHNLKMPFC-GFCCVEGCSA-N	0	1	219.288	0.649	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1ncnn1CC	ZINC000883399437	591640476	/nfs/dbraw/zinc/64/04/76/591640476.db2.gz	MOQQIFZKJZUQSC-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1cn(C)cn1	ZINC000883400495	591647581	/nfs/dbraw/zinc/64/75/81/591647581.db2.gz	ODNMASZBRYOFDG-JTQLQIEISA-N	0	1	209.293	0.837	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1cncnc1OC	ZINC000883400807	591647589	/nfs/dbraw/zinc/64/75/89/591647589.db2.gz	VVTRMMMAJWTJJA-LLVKDONJSA-N	0	1	237.303	0.902	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1ccn(C)n1	ZINC000883401722	591648974	/nfs/dbraw/zinc/64/89/74/591648974.db2.gz	WETFXKPWEIGSTF-LLVKDONJSA-N	0	1	209.293	0.837	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NC[C@H]1CCN1CC	ZINC000883602053	591699165	/nfs/dbraw/zinc/69/91/65/591699165.db2.gz	MDNYILCZTVMCSF-WDEREUQCSA-N	0	1	223.320	0.792	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NC[C@@H]1CCN1CC	ZINC000883602051	591699589	/nfs/dbraw/zinc/69/95/89/591699589.db2.gz	MDNYILCZTVMCSF-MNOVXSKESA-N	0	1	223.320	0.792	20	30		BCEDMN
C=CCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883718137	591725813	/nfs/dbraw/zinc/72/58/13/591725813.db2.gz	BLCPCAAFHOALNI-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC	ZINC000884550592	591975999	/nfs/dbraw/zinc/97/59/99/591975999.db2.gz	GWDUJEOUOBZSPD-PRJMDXOYSA-N	0	1	243.215	0.313	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cc(C)n(C)n2)C1	ZINC000886209247	592176491	/nfs/dbraw/zinc/17/64/91/592176491.db2.gz	ITDJXXUMLPGRDU-CYBMUJFWSA-N	0	1	246.358	0.916	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cnn(CC)n2)C1	ZINC000886209680	592176912	/nfs/dbraw/zinc/17/69/12/592176912.db2.gz	SBVSBHVOQOBPDW-LBPRGKRZSA-N	0	1	247.346	0.485	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCCn2nncc2C1	ZINC000886457775	592226545	/nfs/dbraw/zinc/22/65/45/592226545.db2.gz	OEJMJFNYIPIEPF-GFCCVEGCSA-N	0	1	236.319	0.811	20	30		BCEDMN
COC[C@H](NCCC#N)[C@@H]1CCCOC1	ZINC000886906165	592393455	/nfs/dbraw/zinc/39/34/55/592393455.db2.gz	SAJSQUOTUKCVMW-MNOVXSKESA-N	0	1	212.293	0.931	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)CCCF	ZINC000887136552	592450963	/nfs/dbraw/zinc/45/09/63/592450963.db2.gz	WQJORDWFEJOCDA-UHFFFAOYSA-N	0	1	231.271	0.290	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCF	ZINC000887137360	592451249	/nfs/dbraw/zinc/45/12/49/592451249.db2.gz	FLFNKSYNYKDGBH-VIFPVBQESA-N	0	1	245.298	0.678	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CC[C@@H](CF)C2)C1=O	ZINC000887302847	592478991	/nfs/dbraw/zinc/47/89/91/592478991.db2.gz	DISZABARFMDRLO-VHSXEESVSA-N	0	1	238.262	0.039	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(C)[C@H](C)C1	ZINC000300934778	592525363	/nfs/dbraw/zinc/52/53/63/592525363.db2.gz	CFBTUXDHMNFXAA-NXEZZACHSA-N	0	1	212.293	0.350	20	30		BCEDMN
Cc1ncc(C(=O)N2CCO[C@@](C)(C#N)C2)[nH]1	ZINC000887674749	592539871	/nfs/dbraw/zinc/53/98/71/592539871.db2.gz	ILCCKBNLRVASCU-NSHDSACASA-N	0	1	234.259	0.473	20	30		BCEDMN
CC(C#N)C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887676829	592540796	/nfs/dbraw/zinc/54/07/96/592540796.db2.gz	LEGYEAXTKDVTMA-PSASIEDQSA-N	0	1	207.233	0.287	20	30		BCEDMN
Cc1nc(CNC(=O)c2ccc(C#N)n2C)n[nH]1	ZINC000889700592	592647031	/nfs/dbraw/zinc/64/70/31/592647031.db2.gz	CYJCOLANOJVYTP-UHFFFAOYSA-N	0	1	244.258	0.253	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000062133512	597526606	/nfs/dbraw/zinc/52/66/06/597526606.db2.gz	XOVQWYBZIGVJGE-BDAKNGLRSA-N	0	1	226.276	0.084	20	30		BCEDMN
CC(=O)NCC[N@H+](CCCC#N)[C@@H](C)C(=O)[O-]	ZINC000819770273	597677071	/nfs/dbraw/zinc/67/70/71/597677071.db2.gz	MXDUXSWVXLWCEA-VIFPVBQESA-N	0	1	241.291	0.201	20	30		BCEDMN
N#CCCCC[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000043703551	599965709	/nfs/dbraw/zinc/96/57/09/599965709.db2.gz	FXEUTAJEGZXSBU-SECBINFHSA-N	0	1	212.249	0.466	20	30		BCEDMN
N#CCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000163709838	600141131	/nfs/dbraw/zinc/14/11/31/600141131.db2.gz	NCPJFYDERBUABR-BDAKNGLRSA-N	0	1	212.249	0.200	20	30		BCEDMN
C=CCCC[N@H+](C)Cn1cc(C(=O)[O-])nn1	ZINC000736102425	600258756	/nfs/dbraw/zinc/25/87/56/600258756.db2.gz	GUQOGRVARAMFMO-UHFFFAOYSA-N	0	1	224.264	0.832	20	30		BCEDMN
COCC[N@@H+](CCC#N)CCC(=O)[O-]	ZINC000071226582	600641173	/nfs/dbraw/zinc/64/11/73/600641173.db2.gz	ZKLRJXBHNXDZPU-UHFFFAOYSA-N	0	1	200.238	0.323	20	30		BCEDMN
COCC[N@H+](CCC#N)CCC(=O)[O-]	ZINC000071226582	600641170	/nfs/dbraw/zinc/64/11/70/600641170.db2.gz	ZKLRJXBHNXDZPU-UHFFFAOYSA-N	0	1	200.238	0.323	20	30		BCEDMN
CC[N@@H+](C[C@H](C)C#N)C[C@@](C)(O)C(=O)[O-]	ZINC000227068953	600762106	/nfs/dbraw/zinc/76/21/06/600762106.db2.gz	LXROMZPZYGKIFK-PSASIEDQSA-N	0	1	214.265	0.304	20	30		BCEDMN
N#CCCC[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000085617768	601456033	/nfs/dbraw/zinc/45/60/33/601456033.db2.gz	ZHBUHYKPHCJQOP-SECBINFHSA-N	0	1	212.249	0.466	20	30		BCEDMN
N#CCCC[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000085617768	601456032	/nfs/dbraw/zinc/45/60/32/601456032.db2.gz	ZHBUHYKPHCJQOP-SECBINFHSA-N	0	1	212.249	0.466	20	30		BCEDMN
C[N@@H+](CC(=O)[O-])Cc1ccnc(C#N)c1	ZINC000068756681	604643482	/nfs/dbraw/zinc/64/34/82/604643482.db2.gz	VTRAELZABFXGPB-UHFFFAOYSA-N	0	1	205.217	0.470	20	30		BCEDMN
CCOc1cncc(C=NNC2=NCCN2)c1	ZINC000857210566	634383449	/nfs/dbraw/zinc/38/34/49/634383449.db2.gz	VNKLAMOJIMBRBF-UHFFFAOYSA-N	0	1	233.275	0.363	20	30		BCEDMN
C=C(CC)Cn1cnc(-c2nn[nH]n2)n1	ZINC000823882931	608291100	/nfs/dbraw/zinc/29/11/00/608291100.db2.gz	GMFNWJRAAIIRJV-UHFFFAOYSA-N	0	1	205.225	0.424	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000909373560	634533248	/nfs/dbraw/zinc/53/32/48/634533248.db2.gz	ACMWPHMERZEKRU-VIFPVBQESA-N	0	1	223.276	0.396	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F	ZINC001027875768	635185562	/nfs/dbraw/zinc/18/55/62/635185562.db2.gz	XRNIZOXBQWQKBH-NXEZZACHSA-N	0	1	242.269	0.855	20	30		BCEDMN
C=C(CC)CNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000909387767	634588622	/nfs/dbraw/zinc/58/86/22/634588622.db2.gz	PMBPGPJRJBYEDZ-ZYHUDNBSSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ncccn1	ZINC001028216973	635495421	/nfs/dbraw/zinc/49/54/21/635495421.db2.gz	OBOYVZRXIHIBSB-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
N#Cc1cc(CN2CC[C@H](C(N)=O)C2)cs1	ZINC000891440221	631287357	/nfs/dbraw/zinc/28/73/57/631287357.db2.gz	KCGLCCONAVITKP-VIFPVBQESA-N	0	1	235.312	0.927	20	30		BCEDMN
C#C[C@H](NCC1OCCO1)[C@H]1CCCO1	ZINC000308803181	631492913	/nfs/dbraw/zinc/49/29/13/631492913.db2.gz	ABFIIYZNZRRWSA-VHSXEESVSA-N	0	1	211.261	0.130	20	30		BCEDMN
C[C@@H](O)[C@H](O)CN(C)Cc1cc(C#N)cs1	ZINC000933770045	631508223	/nfs/dbraw/zinc/50/82/23/631508223.db2.gz	FZFSIBUEIIGXSG-LDYMZIIASA-N	0	1	240.328	0.793	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C	ZINC000178768778	635689599	/nfs/dbraw/zinc/68/95/99/635689599.db2.gz	ZQRBIYSBDQMATF-DTWKUNHWSA-N	0	1	238.287	0.504	20	30		BCEDMN
C#C[C@H](NCC1OCCO1)[C@@H]1CCCO1	ZINC000308803178	631667266	/nfs/dbraw/zinc/66/72/66/631667266.db2.gz	ABFIIYZNZRRWSA-UWVGGRQHSA-N	0	1	211.261	0.130	20	30		BCEDMN
C#C[C@@H](NCc1cnc[nH]1)[C@H]1CCCO1	ZINC000308870497	631699351	/nfs/dbraw/zinc/69/93/51/631699351.db2.gz	YSZVHADJYUKTOA-GHMZBOCLSA-N	0	1	205.261	0.680	20	30		BCEDMN
C[C@@](Cn1cccn1)(NCCCC#N)C(N)=O	ZINC000934218360	631736565	/nfs/dbraw/zinc/73/65/65/631736565.db2.gz	ABNNKAUNJKOSFJ-NSHDSACASA-N	0	1	235.291	0.020	20	30		BCEDMN
C#C[C@@H](NCC#CCOC)[C@H]1CCCO1	ZINC000308950153	631753755	/nfs/dbraw/zinc/75/37/55/631753755.db2.gz	OUGCFKXRVXSLJB-VXGBXAGGSA-N	0	1	207.273	0.407	20	30		BCEDMN
C#C[C@H](N[C@@H](CC)C(N)=O)[C@@H]1CCCO1	ZINC000309067856	631830966	/nfs/dbraw/zinc/83/09/66/631830966.db2.gz	AJWKBGQLCJACFN-GUBZILKMSA-N	0	1	210.277	0.021	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@H](C)C(=O)NCC(=O)OC	ZINC000934465208	631861074	/nfs/dbraw/zinc/86/10/74/631861074.db2.gz	LAHAKEAPVHUCKW-NXEZZACHSA-N	0	1	240.303	0.315	20	30		BCEDMN
C=CC[C@@H]1CCN1CCNS(C)(=O)=O	ZINC000934468278	631861963	/nfs/dbraw/zinc/86/19/63/631861963.db2.gz	AZTFCIFLPQDBQJ-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
C=CC[C@@H]1CCN1CC(=O)NCCCOC	ZINC000934472585	631866537	/nfs/dbraw/zinc/86/65/37/631866537.db2.gz	OGTIMQSKBCSKTD-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cc2ccco2)C1	ZINC000972593723	632498416	/nfs/dbraw/zinc/49/84/16/632498416.db2.gz	SBINTYMSVNQYGO-LBPRGKRZSA-N	0	1	246.310	0.988	20	30		BCEDMN
C#C[C@H](NCC(OC)OC)[C@@H]1CCCO1	ZINC000308969480	632599393	/nfs/dbraw/zinc/59/93/93/632599393.db2.gz	YESNRVIBKCKLEF-UWVGGRQHSA-N	0	1	213.277	0.376	20	30		BCEDMN
CNC(=O)CCN(CCC#N)CC(C)C	ZINC000051759473	632679576	/nfs/dbraw/zinc/67/95/76/632679576.db2.gz	IIMBKJUEGRQMJM-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
N#C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000928217836	635833857	/nfs/dbraw/zinc/83/38/57/635833857.db2.gz	UMKCCUVUSIRVND-IWSPIJDZSA-N	0	1	223.232	0.414	20	30		BCEDMN
N#CCCNC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000427606601	635842191	/nfs/dbraw/zinc/84/21/91/635842191.db2.gz	MCHOXKVRDRVTDJ-MRVPVSSYSA-N	0	1	218.260	0.859	20	30		BCEDMN
COc1ccc(CNCCn2cnc(C#N)n2)o1	ZINC000894420333	635898885	/nfs/dbraw/zinc/89/88/85/635898885.db2.gz	RJLZRTPGZBNDAS-UHFFFAOYSA-N	0	1	247.258	0.541	20	30		BCEDMN
Nc1ccc(C=NNC2CCOCC2)cn1	ZINC000309539354	633194367	/nfs/dbraw/zinc/19/43/67/633194367.db2.gz	FYNLQUFHKNXTPW-UHFFFAOYSA-N	0	1	220.276	0.766	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)CC1(C#N)CC1	ZINC000928556047	636094348	/nfs/dbraw/zinc/09/43/48/636094348.db2.gz	RJLGIAQSUPOLOV-SECBINFHSA-N	0	1	207.277	0.501	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)CC1(C#N)CC1	ZINC000928556048	636094677	/nfs/dbraw/zinc/09/46/77/636094677.db2.gz	RJLGIAQSUPOLOV-VIFPVBQESA-N	0	1	207.277	0.501	20	30		BCEDMN
Cc1[nH]nc(CN[C@@H]2CCCN(O)C2=O)c1C	ZINC000895157705	636099529	/nfs/dbraw/zinc/09/95/29/636099529.db2.gz	SBKHBIXJBGWSAV-SECBINFHSA-N	0	1	238.291	0.496	20	30		BCEDMN
O=c1ccc(CN[C@@H]2CCCN(O)C2=O)c[nH]1	ZINC000895157741	636099921	/nfs/dbraw/zinc/09/99/21/636099921.db2.gz	FIOLTGPYIGEDKO-SECBINFHSA-N	0	1	237.259	0.257	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000909517052	636137396	/nfs/dbraw/zinc/13/73/96/636137396.db2.gz	YKQMHOPNXYVFPP-RKDXNWHRSA-N	0	1	249.270	0.612	20	30		BCEDMN
C#C[C@H](NCc1cnc[nH]1)[C@@H]1CCCO1	ZINC000308870499	633824339	/nfs/dbraw/zinc/82/43/39/633824339.db2.gz	YSZVHADJYUKTOA-QWRGUYRKSA-N	0	1	205.261	0.680	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(OC)cnc1F	ZINC000895490452	636151785	/nfs/dbraw/zinc/15/17/85/636151785.db2.gz	PHKNJROPUYIHEL-SNVBAGLBSA-N	0	1	238.262	0.703	20	30		BCEDMN
C#C[C@H]1CCCN(C[C@@H]2CCCS2(=O)=O)C1	ZINC000930884594	634152202	/nfs/dbraw/zinc/15/22/02/634152202.db2.gz	GEBFUMQPFVUSDX-RYUDHWBXSA-N	0	1	241.356	0.909	20	30		BCEDMN
CO[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1	ZINC000120287622	634245565	/nfs/dbraw/zinc/24/55/65/634245565.db2.gz	OSSVAOHGHVODRY-SCZZXKLOSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCOC1	ZINC001027781225	635149061	/nfs/dbraw/zinc/14/90/61/635149061.db2.gz	GNNDJQNIGOLDRF-NEPJUHHUSA-N	0	1	236.315	0.237	20	30		BCEDMN
C(=NNC1=NCCN1)c1cccc2c1OCCO2	ZINC000841659940	635166799	/nfs/dbraw/zinc/16/67/99/635166799.db2.gz	UBNHCCZRPYQYDS-UHFFFAOYSA-N	0	1	246.270	0.341	20	30		BCEDMN
Cc1cccc(C=NNC2=NCCN2)c1	ZINC000841663488	635191346	/nfs/dbraw/zinc/19/13/46/635191346.db2.gz	ZHDBVYLUXIRIPY-UHFFFAOYSA-N	0	1	202.261	0.878	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027896318	635198807	/nfs/dbraw/zinc/19/88/07/635198807.db2.gz	MWRZYLXPVZUIDM-OBJOEFQTSA-N	0	1	248.326	0.237	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027896318	635198808	/nfs/dbraw/zinc/19/88/08/635198808.db2.gz	MWRZYLXPVZUIDM-OBJOEFQTSA-N	0	1	248.326	0.237	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1	ZINC000980445368	635222878	/nfs/dbraw/zinc/22/28/78/635222878.db2.gz	HHRSIPNOMGGHQH-CYBMUJFWSA-N	0	1	245.326	0.723	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1	ZINC000980445369	635223689	/nfs/dbraw/zinc/22/36/89/635223689.db2.gz	HHRSIPNOMGGHQH-ZDUSSCGKSA-N	0	1	245.326	0.723	20	30		BCEDMN
C#CCCN1CCCN(C(=O)C(F)F)CC1	ZINC000980590349	635238685	/nfs/dbraw/zinc/23/86/85/635238685.db2.gz	CMIRHPLEBKWENU-UHFFFAOYSA-N	0	1	230.258	0.809	20	30		BCEDMN
C=CCN1CCCN(C(=O)Cn2cccn2)CC1	ZINC000980704578	635260286	/nfs/dbraw/zinc/26/02/86/635260286.db2.gz	LMHCZPPECSYKQJ-UHFFFAOYSA-N	0	1	248.330	0.603	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C(C)C)CC1	ZINC000162976201	635276996	/nfs/dbraw/zinc/27/69/96/635276996.db2.gz	NYCNUWIFRUEEHS-UHFFFAOYSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2cocn2)CC1	ZINC000980830873	635281229	/nfs/dbraw/zinc/28/12/29/635281229.db2.gz	HRJNZMHAGPRLDE-UHFFFAOYSA-N	0	1	247.298	0.846	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1[nH]nnc1C	ZINC001028064147	635341773	/nfs/dbraw/zinc/34/17/73/635341773.db2.gz	DMBZVFUJNMZYAP-SNVBAGLBSA-N	0	1	249.318	0.493	20	30		BCEDMN
C#CCN(C(=O)CCCc1nn[nH]n1)C(C)C	ZINC000928624020	636214776	/nfs/dbraw/zinc/21/47/76/636214776.db2.gz	UUQRKPHUTLVOKN-UHFFFAOYSA-N	0	1	235.291	0.393	20	30		BCEDMN
C#CCN1CCC(NC(=O)C(C)(C)F)CC1	ZINC000928654973	636271550	/nfs/dbraw/zinc/27/15/50/636271550.db2.gz	OHYQUXJDUCYFAK-UHFFFAOYSA-N	0	1	226.295	0.948	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@H](NCC#N)[C@H]2C)n[nH]1	ZINC000986011894	636467014	/nfs/dbraw/zinc/46/70/14/636467014.db2.gz	SACYPUAXVIOFDU-ZJUUUORDSA-N	0	1	247.302	0.434	20	30		BCEDMN
C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)COC)C1	ZINC000987659568	636659160	/nfs/dbraw/zinc/65/91/60/636659160.db2.gz	ULRVYRLPKXMRPE-NXEZZACHSA-N	0	1	246.738	0.964	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@@H](NCC#N)C[C@H]2C)[nH]1	ZINC000988364617	636696715	/nfs/dbraw/zinc/69/67/15/636696715.db2.gz	GRNGWFMRMHQWRO-SCZZXKLOSA-N	0	1	247.302	0.434	20	30		BCEDMN
N#CC1(CNC(=O)c2cncc3nc[nH]c32)CC1	ZINC000897636131	636830628	/nfs/dbraw/zinc/83/06/28/636830628.db2.gz	OQKHZUJXQGGNTQ-UHFFFAOYSA-N	0	1	241.254	0.991	20	30		BCEDMN
C=C(CC)CNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897933283	636847414	/nfs/dbraw/zinc/84/74/14/636847414.db2.gz	WXNYLAZKXHNKIB-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
CCn1nncc1/C=C1/C(=O)c2ncnn2C1C	ZINC000905083001	637582004	/nfs/dbraw/zinc/58/20/04/637582004.db2.gz	AGEHJHSBGXYGRZ-WDTYERQASA-N	0	1	244.258	0.730	20	30		BCEDMN
CC1/C(=C\c2ccn(C)n2)C(=O)c2ncnn21	ZINC000905087724	637585833	/nfs/dbraw/zinc/58/58/33/637585833.db2.gz	ZBYBXSKQOAWPNZ-JGESFRBXSA-N	0	1	229.243	0.853	20	30		BCEDMN
C[C@@H](C#N)CNC[C@H](O)CC1(O)CCCC1	ZINC000905107201	637614566	/nfs/dbraw/zinc/61/45/66/637614566.db2.gz	WMMWQHMDHIINJW-WDEREUQCSA-N	0	1	226.320	0.792	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)CC1(O)CCCC1	ZINC000905107198	637615144	/nfs/dbraw/zinc/61/51/44/637615144.db2.gz	WMMWQHMDHIINJW-GHMZBOCLSA-N	0	1	226.320	0.792	20	30		BCEDMN
Cc1nsc(C(=O)NCC#CCN(C)C)n1	ZINC000905152238	637662864	/nfs/dbraw/zinc/66/28/64/637662864.db2.gz	WZTPMLMQNPOORL-UHFFFAOYSA-N	0	1	238.316	0.141	20	30		BCEDMN
COc1ccc(CNCC[N+](=O)[O-])cc1C#N	ZINC000905182267	637664111	/nfs/dbraw/zinc/66/41/11/637664111.db2.gz	PWUKNNGVJULBFD-UHFFFAOYSA-N	0	1	235.243	0.933	20	30		BCEDMN
N#CC1(CNC[C@@H](O)C2(O)CCCC2)CC1	ZINC000905242988	637703886	/nfs/dbraw/zinc/70/38/86/637703886.db2.gz	HEDBMSHTKMOWKG-SNVBAGLBSA-N	0	1	224.304	0.546	20	30		BCEDMN
Cc1cccc([C@@H](O)CNCC#CCO)c1	ZINC000905358981	637776903	/nfs/dbraw/zinc/77/69/03/637776903.db2.gz	RNHNKFWDHFLCPO-ZDUSSCGKSA-N	0	1	219.284	0.614	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)CC1(O)CCCCC1	ZINC000905367810	637789402	/nfs/dbraw/zinc/78/94/02/637789402.db2.gz	VUQMXTUCKNWSGD-RYUDHWBXSA-N	0	1	241.331	0.016	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1CNC[C@H](C#N)CCC#N	ZINC000905489310	637835710	/nfs/dbraw/zinc/83/57/10/637835710.db2.gz	BOYNPPXYBGQERM-HBNTYKKESA-N	0	1	235.287	0.829	20	30		BCEDMN
C#CCN1CCC(NC(=S)NCC=C)CC1	ZINC000905655999	637872702	/nfs/dbraw/zinc/87/27/02/637872702.db2.gz	AKDSJBQWXMIPNW-UHFFFAOYSA-N	0	1	237.372	0.734	20	30		BCEDMN
C#CCN1CCC(NC(=S)NC2CC2)CC1	ZINC000905656416	637873052	/nfs/dbraw/zinc/87/30/52/637873052.db2.gz	KMGIDHLAOBUGMU-UHFFFAOYSA-N	0	1	237.372	0.711	20	30		BCEDMN
C=CCNC(=O)Cn1cc(CNC(C)C)nn1	ZINC000905782262	637911530	/nfs/dbraw/zinc/91/15/30/637911530.db2.gz	UGBJUBQVKXLHBP-UHFFFAOYSA-N	0	1	237.307	0.078	20	30		BCEDMN
C=CC[C@H](NC[C@@H]1CCN1CC)C(=O)OC	ZINC000905802975	637933305	/nfs/dbraw/zinc/93/33/05/637933305.db2.gz	AQIOERTVSHGFTR-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
N#CCC1CN(C[C@@H](O)C2(O)CCCC2)C1	ZINC000905963775	637984025	/nfs/dbraw/zinc/98/40/25/637984025.db2.gz	VWMYUDDPGROKAD-LLVKDONJSA-N	0	1	224.304	0.498	20	30		BCEDMN
C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C	ZINC000906268048	638130219	/nfs/dbraw/zinc/13/02/19/638130219.db2.gz	IGKBABCWIGDJPE-RKDXNWHRSA-N	0	1	224.260	0.912	20	30		BCEDMN
CC(C)CN(CCC#N)CCOCCO	ZINC000043417581	638310819	/nfs/dbraw/zinc/31/08/19/638310819.db2.gz	BWGXOIXYPAIXCC-UHFFFAOYSA-N	0	1	214.309	0.867	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@@H](c2[nH]ncc2N)C1	ZINC000907416682	638378672	/nfs/dbraw/zinc/37/86/72/638378672.db2.gz	ISBCWMXCOGJCOU-SNVBAGLBSA-N	0	1	246.314	0.967	20	30		BCEDMN
C=CCCCCNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907445259	638386321	/nfs/dbraw/zinc/38/63/21/638386321.db2.gz	AGBAEZZOMPKBEM-YPMHNXCESA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CCCCNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907852011	638487184	/nfs/dbraw/zinc/48/71/84/638487184.db2.gz	GZVCZWZIRMKSJL-PWSUYJOCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#C[C@H]1CCCCN1S(=O)(=O)c1ncc[nH]1	ZINC000908282507	638632954	/nfs/dbraw/zinc/63/29/54/638632954.db2.gz	VIEPJZAFWMJIMB-VIFPVBQESA-N	0	1	239.300	0.586	20	30		BCEDMN
C=C(CC[NH+](C)C)C(=O)Nc1c(C)[n-][nH]c1=O	ZINC000908370299	638671435	/nfs/dbraw/zinc/67/14/35/638671435.db2.gz	IYTMVNCPOGLTFH-UHFFFAOYSA-N	0	1	238.291	0.870	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000908622079	639037361	/nfs/dbraw/zinc/03/73/61/639037361.db2.gz	YQQPKVVIOBOXQZ-SBMIAAHKSA-N	0	1	247.298	0.186	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCOC2CC2)C1=O	ZINC000930310090	639696255	/nfs/dbraw/zinc/69/62/55/639696255.db2.gz	ANSAKQOAVCCSAY-LBPRGKRZSA-N	0	1	238.331	0.884	20	30		BCEDMN
CSCCC[N@@H+](C)C[C@H](O)CC#N	ZINC000930318311	639700958	/nfs/dbraw/zinc/70/09/58/639700958.db2.gz	OFCLSKWTNPNXCS-SECBINFHSA-N	0	1	202.323	0.946	20	30		BCEDMN
C#CCNCC(=O)NCCc1ccc(N)cc1	ZINC000911782722	639800224	/nfs/dbraw/zinc/80/02/24/639800224.db2.gz	LNRDIZQRDIZRLR-UHFFFAOYSA-N	0	1	231.299	0.150	20	30		BCEDMN
CCOC(CN(CC)C[C@H](O)CC#N)OCC	ZINC000930654669	639846193	/nfs/dbraw/zinc/84/61/93/639846193.db2.gz	CGZCGWSEWFTVGJ-LLVKDONJSA-N	0	1	244.335	0.982	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)C1(O)CCC1	ZINC000930693596	639861768	/nfs/dbraw/zinc/86/17/68/639861768.db2.gz	QUIDCKIXIURFRZ-VHSXEESVSA-N	0	1	212.293	0.544	20	30		BCEDMN
CCOCCOCCN1CC[C@@](O)(CC#N)C1	ZINC000930819165	639922513	/nfs/dbraw/zinc/92/25/13/639922513.db2.gz	SWFVPTCVEUICTQ-LBPRGKRZSA-N	0	1	242.319	0.390	20	30		BCEDMN
C#CC1CCN(C[C@@H]2CCCS2(=O)=O)CC1	ZINC000930822773	639925514	/nfs/dbraw/zinc/92/55/14/639925514.db2.gz	UILJHCJKYOTUMP-LBPRGKRZSA-N	0	1	241.356	0.909	20	30		BCEDMN
CN1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1C(C)(C)C	ZINC000930883708	639970592	/nfs/dbraw/zinc/97/05/92/639970592.db2.gz	UXULBRCYXCKTRU-VXGBXAGGSA-N	0	1	239.363	0.923	20	30		BCEDMN
C#C[C@@H]1CCCN([C@@H]2CCN(OC)C2=O)C1	ZINC000930886610	639974548	/nfs/dbraw/zinc/97/45/48/639974548.db2.gz	UUKDWJHFNPYGDB-GHMZBOCLSA-N	0	1	222.288	0.494	20	30		BCEDMN
C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CCC#N	ZINC000930918063	639988990	/nfs/dbraw/zinc/98/89/90/639988990.db2.gz	YCMCVQYACJCFHQ-BBBLOLIVSA-N	0	1	209.293	0.874	20	30		BCEDMN
C#CCN(C(=O)CCc1cnc[nH]1)C1CSC1	ZINC000912365552	640040532	/nfs/dbraw/zinc/04/05/32/640040532.db2.gz	QBNGFXHGAVISDO-UHFFFAOYSA-N	0	1	249.339	0.920	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H](N(C)C[C@H](O)CC#N)C1	ZINC000931066084	640052571	/nfs/dbraw/zinc/05/25/71/640052571.db2.gz	VDUZTSUVAHUESO-KXUCPTDWSA-N	0	1	226.276	0.144	20	30		BCEDMN
C=C1CN(C(=O)CCSc2nnc(C)[nH]2)C1	ZINC000912448451	640077812	/nfs/dbraw/zinc/07/78/12/640077812.db2.gz	URACRFMGTFWCOU-UHFFFAOYSA-N	0	1	238.316	0.994	20	30		BCEDMN
C#CC1(O)CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000931151735	640080654	/nfs/dbraw/zinc/08/06/54/640080654.db2.gz	RHQXODADYIBGLX-CYBMUJFWSA-N	0	1	246.310	0.575	20	30		BCEDMN
C#CC1(O)CCN(C[C@H](O)c2ccccn2)CC1	ZINC000931151736	640081067	/nfs/dbraw/zinc/08/10/67/640081067.db2.gz	RHQXODADYIBGLX-ZDUSSCGKSA-N	0	1	246.310	0.575	20	30		BCEDMN
CN(C(=O)C1(C#N)CC2(CC2)C1)c1nn[nH]n1	ZINC000912618072	640129251	/nfs/dbraw/zinc/12/92/51/640129251.db2.gz	LVUBKNGUKBKVIK-UHFFFAOYSA-N	0	1	232.247	0.246	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cnc[nH]1)C1CCOCC1	ZINC000912692801	640168467	/nfs/dbraw/zinc/16/84/67/640168467.db2.gz	MFNXBCAFRIXXAO-LBPRGKRZSA-N	0	1	247.298	0.497	20	30		BCEDMN
C#CCCN(CCOC)C(=O)Cc1c[nH]cn1	ZINC000912729290	640181855	/nfs/dbraw/zinc/18/18/55/640181855.db2.gz	ZDCGDFWTZGGJPS-UHFFFAOYSA-N	0	1	235.287	0.451	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)N2CC[C@@H](N3CCC3)C2)c1	ZINC000912916530	640239764	/nfs/dbraw/zinc/23/97/64/640239764.db2.gz	YMNXBEKZFDKEQA-LLVKDONJSA-N	0	1	244.298	0.807	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)N2CC[C@H](N3CCC3)C2)c1	ZINC000912916531	640240969	/nfs/dbraw/zinc/24/09/69/640240969.db2.gz	YMNXBEKZFDKEQA-NSHDSACASA-N	0	1	244.298	0.807	20	30		BCEDMN
CC(C)C#CC(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912902231	640245654	/nfs/dbraw/zinc/24/56/54/640245654.db2.gz	CEWGXXYAIUXKFI-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000912905041	640248273	/nfs/dbraw/zinc/24/82/73/640248273.db2.gz	XWPHMGGFIVOEKD-ZYHUDNBSSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000912965831	640265353	/nfs/dbraw/zinc/26/53/53/640265353.db2.gz	HCNMAIFZLKLJQQ-YUMQZZPRSA-N	0	1	222.248	0.015	20	30		BCEDMN
CC1(C)CNC(=O)[C@@H]1NCc1cncc(C#N)c1	ZINC000931652200	640304878	/nfs/dbraw/zinc/30/48/78/640304878.db2.gz	NPVOJVSNEFBEHX-NSHDSACASA-N	0	1	244.298	0.567	20	30		BCEDMN
C#CCC1(NCc2cn(CC)nn2)CCOCC1	ZINC000931761352	640354449	/nfs/dbraw/zinc/35/44/49/640354449.db2.gz	QQYHMNHENZEPBL-UHFFFAOYSA-N	0	1	248.330	0.960	20	30		BCEDMN
CC[C@@H](CO)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000931773448	640367025	/nfs/dbraw/zinc/36/70/25/640367025.db2.gz	TUZYOAHUONAXPM-NWDGAFQWSA-N	0	1	247.298	0.445	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)Nc1cccc(C#N)n1	ZINC000931806240	640370777	/nfs/dbraw/zinc/37/07/77/640370777.db2.gz	MPTBLIZIONNUQK-SNVBAGLBSA-N	0	1	245.286	0.779	20	30		BCEDMN
C[C@@H]1C[C@@H](C(=O)NCC#CCN(C)C)[C@H](C)O1	ZINC000913525117	640380115	/nfs/dbraw/zinc/38/01/15/640380115.db2.gz	KRMJOIYVWRLJOP-GRYCIOLGSA-N	0	1	238.331	0.481	20	30		BCEDMN
C[C@H]1CO[C@@H](C(=O)NCC#CCN(C)C)C1	ZINC000913524871	640380210	/nfs/dbraw/zinc/38/02/10/640380210.db2.gz	AAKKGUNECNIRQX-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
CN(C)CC#CCNC(=O)C[C@H]1CCCCO1	ZINC000913519948	640381557	/nfs/dbraw/zinc/38/15/57/640381557.db2.gz	WEDKYRVOAVEISY-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
CCC[C@H](O)CC(=O)NCC#CCN(C)C	ZINC000913519890	640381928	/nfs/dbraw/zinc/38/19/28/640381928.db2.gz	SVJCRTJJPAKMAG-NSHDSACASA-N	0	1	226.320	0.219	20	30		BCEDMN
CC[C@@H](C)[C@@H](O)C(=O)NCC#CCN(C)C	ZINC000913520642	640382633	/nfs/dbraw/zinc/38/26/33/640382633.db2.gz	WCFRLKBXURTOSQ-GHMZBOCLSA-N	0	1	226.320	0.075	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1C[C@@H]1C(F)F	ZINC000913522635	640384078	/nfs/dbraw/zinc/38/40/78/640384078.db2.gz	RLAZDBRJIHPOPV-IUCAKERBSA-N	0	1	230.258	0.569	20	30		BCEDMN
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C#CCN1CCC([C@@]2(C)COC(=O)N2)CC1	ZINC000932092409	640424277	/nfs/dbraw/zinc/42/42/77/640424277.db2.gz	SHUDZJXNYKIILB-GFCCVEGCSA-N	0	1	222.288	0.830	20	30		BCEDMN
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CC#CCCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000933722084	640755246	/nfs/dbraw/zinc/75/52/46/640755246.db2.gz	OBFXCWZYDFHAIT-PHIMTYICSA-N	0	1	227.329	0.376	20	30		BCEDMN
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CC#CCN1CC(NC(=O)[C@@H]2CCCCN2C)C1	ZINC001030533152	640900231	/nfs/dbraw/zinc/90/02/31/640900231.db2.gz	GSNCBYPZICLLNJ-ZDUSSCGKSA-N	0	1	249.358	0.294	20	30		BCEDMN
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C=CCCN1CCN(C(=O)Cc2cnc[nH]2)CC1	ZINC000950732763	641940405	/nfs/dbraw/zinc/94/04/05/641940405.db2.gz	XSDHLKXKYAWIHP-UHFFFAOYSA-N	0	1	248.330	0.673	20	30		BCEDMN
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C#C[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C)C1	ZINC000925431753	641983696	/nfs/dbraw/zinc/98/36/96/641983696.db2.gz	YHZNYEOPCJJGML-VXGBXAGGSA-N	0	1	235.331	0.745	20	30		BCEDMN
CCC(CC)C(=O)C(C#N)C(=O)NCCOC	ZINC000916891333	641984881	/nfs/dbraw/zinc/98/48/81/641984881.db2.gz	SWMAMTIMHNWAOC-SNVBAGLBSA-N	0	1	240.303	0.894	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)NC[C@H]2CCN2C)C1	ZINC000925431732	641984894	/nfs/dbraw/zinc/98/48/94/641984894.db2.gz	JRLXTQFHLVBVCD-NWDGAFQWSA-N	0	1	235.331	0.745	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccncc2)C1	ZINC001031514434	642245185	/nfs/dbraw/zinc/24/51/85/642245185.db2.gz	QQFWZDVBFNFDSE-UHFFFAOYSA-N	0	1	231.299	0.929	20	30		BCEDMN
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C#CCCN1CC(CNC(=O)c2cn[nH]c2)C1	ZINC001031558617	642302546	/nfs/dbraw/zinc/30/25/46/642302546.db2.gz	FFZIULPBCQQICX-UHFFFAOYSA-N	0	1	232.287	0.095	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnns2)C1	ZINC001031561253	642306537	/nfs/dbraw/zinc/30/65/37/642306537.db2.gz	DSPUPSFKIAXDJH-UHFFFAOYSA-N	0	1	238.316	0.386	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2ncoc2C)C1	ZINC000971169041	642310515	/nfs/dbraw/zinc/31/05/15/642310515.db2.gz	LVNUZFHHHAOYMK-NSHDSACASA-N	0	1	247.298	0.763	20	30		BCEDMN
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C=CCN1CC(CNC(=O)c2ccnn2C)C1	ZINC001031576157	642330192	/nfs/dbraw/zinc/33/01/92/642330192.db2.gz	YJJQXQKIBUCMNG-UHFFFAOYSA-N	0	1	234.303	0.268	20	30		BCEDMN
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C#CCN(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1	ZINC000971341193	642363340	/nfs/dbraw/zinc/36/33/40/642363340.db2.gz	TYHCAHATBSRZAW-NSHDSACASA-N	0	1	246.314	0.200	20	30		BCEDMN
C#CCCN(CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000920415771	642490056	/nfs/dbraw/zinc/49/00/56/642490056.db2.gz	LBOCTTJDQAWTEH-LLVKDONJSA-N	0	1	229.345	0.909	20	30		BCEDMN
C#CCCCNC(=O)NC[C@@H]1CCN1C	ZINC000920754048	642544531	/nfs/dbraw/zinc/54/45/31/642544531.db2.gz	DEQCIAHRVYJAMG-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C#CCNC(=O)CSc1nc(C2CC2)n[nH]1	ZINC000253371647	642642520	/nfs/dbraw/zinc/64/25/20/642642520.db2.gz	BWZFRRWJLIOMOZ-UHFFFAOYSA-N	0	1	236.300	0.524	20	30		BCEDMN
C#CCNC(=O)CSc1n[nH]c(C2CC2)n1	ZINC000253371647	642642526	/nfs/dbraw/zinc/64/25/26/642642526.db2.gz	BWZFRRWJLIOMOZ-UHFFFAOYSA-N	0	1	236.300	0.524	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1	ZINC000960059393	642657042	/nfs/dbraw/zinc/65/70/42/642657042.db2.gz	JTDDTXDMLXHYDR-ITGUQSILSA-N	0	1	243.310	0.698	20	30		BCEDMN
CN(C)c1ccc(C(N)=NOCCCO)cc1	ZINC000305721851	642681962	/nfs/dbraw/zinc/68/19/62/642681962.db2.gz	IOMPNFSBNBVQKU-UHFFFAOYSA-N	0	1	237.303	0.772	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)OC)C1	ZINC000967417405	642801017	/nfs/dbraw/zinc/80/10/17/642801017.db2.gz	CLXDTJNETXUSLM-NXEZZACHSA-N	0	1	246.738	0.964	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@@H](NCC#N)C2)n[nH]1	ZINC000967405762	642801462	/nfs/dbraw/zinc/80/14/62/642801462.db2.gz	DMHGVDWCJNVLRZ-SECBINFHSA-N	0	1	233.275	0.046	20	30		BCEDMN
COC(CN(CCCO)CCCC#N)OC	ZINC000180641239	642802737	/nfs/dbraw/zinc/80/27/37/642802737.db2.gz	BUOALGYUPJIPAV-UHFFFAOYSA-N	0	1	230.308	0.593	20	30		BCEDMN
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C=CCN1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1	ZINC001006975194	642824487	/nfs/dbraw/zinc/82/44/87/642824487.db2.gz	GAXZEUSFPIYLQG-LBPRGKRZSA-N	0	1	248.330	0.719	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cocn2)C1	ZINC001006937011	642824620	/nfs/dbraw/zinc/82/46/20/642824620.db2.gz	DPYYSKAXEVTOEK-NSHDSACASA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCCN1CCC[C@H](NC(=O)c2cocn2)C1	ZINC001006937011	642824624	/nfs/dbraw/zinc/82/46/24/642824624.db2.gz	DPYYSKAXEVTOEK-NSHDSACASA-N	0	1	247.298	0.892	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001006808597	642824823	/nfs/dbraw/zinc/82/48/23/642824823.db2.gz	VCZZUJXIVDISQC-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnn[n-]2)C1	ZINC001007758290	642829273	/nfs/dbraw/zinc/82/92/73/642829273.db2.gz	FOBNBOFJSVMJLZ-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
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C#CCNCC(=O)NCCCSC	ZINC000086157394	643934216	/nfs/dbraw/zinc/93/42/16/643934216.db2.gz	IGLUNONBGQQPFA-UHFFFAOYSA-N	0	1	200.307	0.079	20	30		BCEDMN
N#Cc1cc(CN[C@H]2COC[C@H]2O)cs1	ZINC000922298685	643960161	/nfs/dbraw/zinc/96/01/61/643960161.db2.gz	JUWPNZKZTMVPQQ-VHSXEESVSA-N	0	1	224.285	0.469	20	30		BCEDMN
NC(=[NH2+])NN=Cc1cccc([O-])c1Cl	ZINC000328433163	644012265	/nfs/dbraw/zinc/01/22/65/644012265.db2.gz	GIKGZYXCQMOPOY-UHFFFAOYSA-N	0	1	212.640	0.863	20	30		BCEDMN
C#CCN(C(=O)NCc1n[nH]c(CC)n1)C(C)C	ZINC000922645490	644051896	/nfs/dbraw/zinc/05/18/96/644051896.db2.gz	ZAIYMBUJSNTFFC-UHFFFAOYSA-N	0	1	249.318	0.920	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)C(F)F)CC1	ZINC001005011563	644161601	/nfs/dbraw/zinc/16/16/01/644161601.db2.gz	RILMYHKRYIRBTB-UHFFFAOYSA-N	0	1	230.258	0.808	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2cn[nH]c2)CC1	ZINC001005140369	644172949	/nfs/dbraw/zinc/17/29/49/644172949.db2.gz	AVLKHAWLOVEHCA-UHFFFAOYSA-N	0	1	246.314	0.579	20	30		BCEDMN
C#CCN(C)C(=O)NCCCc1nc[nH]n1	ZINC000923134422	644269979	/nfs/dbraw/zinc/26/99/79/644269979.db2.gz	HZFVSCCCMSYOTF-UHFFFAOYSA-N	0	1	221.264	0.012	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NC[C@H]1CCN1C	ZINC000923221598	644289917	/nfs/dbraw/zinc/28/99/17/644289917.db2.gz	HGNIJWWIUCREFC-WDEREUQCSA-N	0	1	223.320	0.792	20	30		BCEDMN
O=C(C#Cc1ccccc1)Nc1nn[nH]n1	ZINC000081758432	644343079	/nfs/dbraw/zinc/34/30/79/644343079.db2.gz	LIZRNYQBIMMDFK-UHFFFAOYSA-N	0	1	213.200	0.190	20	30		BCEDMN
C#CCN1CCC(NC(=O)NC/C=C/C)CC1	ZINC000923453624	644441674	/nfs/dbraw/zinc/44/16/74/644441674.db2.gz	BRFCTRWYVDQJNV-HWKANZROSA-N	0	1	235.331	0.959	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1	ZINC000923552819	644494099	/nfs/dbraw/zinc/49/40/99/644494099.db2.gz	ZZYRXHZXPMJFBT-NEPJUHHUSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)/C=C/COC)C1	ZINC000923561010	644502065	/nfs/dbraw/zinc/50/20/65/644502065.db2.gz	PEFZENVCIPJMDU-PZBABLGHSA-N	0	1	236.315	0.403	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2cnon2)CC1	ZINC001006167872	644512312	/nfs/dbraw/zinc/51/23/12/644512312.db2.gz	ABBNLDNBNYLAPG-UHFFFAOYSA-N	0	1	248.286	0.239	20	30		BCEDMN
C#C[C@@H](OC(=O)CCc1nc[nH]n1)C1CC1	ZINC000089491139	644555528	/nfs/dbraw/zinc/55/55/28/644555528.db2.gz	BWAUOLQAVXOWMM-SECBINFHSA-N	0	1	219.244	0.692	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@H](CC)CSC	ZINC000091099038	644613322	/nfs/dbraw/zinc/61/33/22/644613322.db2.gz	JFVBGCBCPRMSGU-SNVBAGLBSA-N	0	1	228.361	0.809	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@@H](CC)CSC	ZINC000091099037	644613734	/nfs/dbraw/zinc/61/37/34/644613734.db2.gz	JFVBGCBCPRMSGU-JTQLQIEISA-N	0	1	228.361	0.809	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1	ZINC000958028566	644770650	/nfs/dbraw/zinc/77/06/50/644770650.db2.gz	SQKOWHQSXAAECO-GDNZZTSVSA-N	0	1	218.300	0.466	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1	ZINC000958034394	644772253	/nfs/dbraw/zinc/77/22/53/644772253.db2.gz	SZZWPLDLDJGRRF-ITGUQSILSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F	ZINC000958052800	644773024	/nfs/dbraw/zinc/77/30/24/644773024.db2.gz	LMBMAIMNBJAKEV-MYJAWHEDSA-N	0	1	224.279	0.414	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1	ZINC000958795657	644827098	/nfs/dbraw/zinc/82/70/98/644827098.db2.gz	LWSNHTLKKKLYFT-URLYPYJESA-N	0	1	244.298	0.093	20	30		BCEDMN
CC(C)CN(CCO[C@@H](C)C#N)CC(N)=O	ZINC000304226085	644879352	/nfs/dbraw/zinc/87/93/52/644879352.db2.gz	JCXTXJGZLAARHX-JTQLQIEISA-N	0	1	227.308	0.358	20	30		BCEDMN
C#CCONC(=O)Cc1ccc(F)cn1	ZINC000812782040	644930203	/nfs/dbraw/zinc/93/02/03/644930203.db2.gz	MXMFONBHRCVGIH-UHFFFAOYSA-N	0	1	208.192	0.444	20	30		BCEDMN
CN(C)c1ccncc1C=[NH+][N-]c1cnnn1C	ZINC000814984078	644948020	/nfs/dbraw/zinc/94/80/20/644948020.db2.gz	UBDWROJBPLVHCH-UHFFFAOYSA-N	0	1	245.290	0.722	20	30		BCEDMN
C#CC1CCN(CCS(=O)(=O)N(C)C)CC1	ZINC000830352061	645121630	/nfs/dbraw/zinc/12/16/30/645121630.db2.gz	ZMOHRZWPUJXNDG-UHFFFAOYSA-N	0	1	244.360	0.223	20	30		BCEDMN
CCc1ccnc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834484584	645142679	/nfs/dbraw/zinc/14/26/79/645142679.db2.gz	KRPUBDQQUXMFKK-CMPLNLGQSA-N	0	1	244.298	0.485	20	30		BCEDMN
CCOCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834521242	645142719	/nfs/dbraw/zinc/14/27/19/645142719.db2.gz	FQJUHLZHGBPIED-UWVGGRQHSA-N	0	1	225.292	0.031	20	30		BCEDMN
Cc1ncccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834484266	645142764	/nfs/dbraw/zinc/14/27/64/645142764.db2.gz	GMPSYEZJJXRLQS-KOLCDFICSA-N	0	1	230.271	0.231	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccncc1	ZINC000834521215	645143727	/nfs/dbraw/zinc/14/37/27/645143727.db2.gz	DYFABRGUCJXGPZ-NWDGAFQWSA-N	0	1	244.298	0.242	20	30		BCEDMN
CCc1ccnc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834484586	645143913	/nfs/dbraw/zinc/14/39/13/645143913.db2.gz	KRPUBDQQUXMFKK-PWSUYJOCSA-N	0	1	244.298	0.485	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC)C[C@H]1CC	ZINC000836946991	645182627	/nfs/dbraw/zinc/18/26/27/645182627.db2.gz	FVUZLIPIUNNJHY-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)NC1CCCCC1	ZINC000841507069	645217519	/nfs/dbraw/zinc/21/75/19/645217519.db2.gz	QKRZCRSWMSJPHV-KOLCDFICSA-N	0	1	236.319	0.730	20	30		BCEDMN
CC(C)(C)NC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000841507137	645217776	/nfs/dbraw/zinc/21/77/76/645217776.db2.gz	VTFVNMROLXKJJY-SFYZADRCSA-N	0	1	210.281	0.196	20	30		BCEDMN
Cc1ccc([C@H](O)CNCC#CCO)cc1	ZINC000843078881	645262604	/nfs/dbraw/zinc/26/26/04/645262604.db2.gz	GACBVQNHJMDWFR-CYBMUJFWSA-N	0	1	219.284	0.614	20	30		BCEDMN
CCn1ccc(C(=O)N=C2C[C@@H](C)ON2)n1	ZINC000843839855	645310194	/nfs/dbraw/zinc/31/01/94/645310194.db2.gz	HUJNWMDBKXIEJQ-SSDOTTSWSA-N	0	1	222.248	0.755	20	30		BCEDMN
C#CCCCC(=O)Nc1[nH]cnc1C(=O)OC	ZINC000847028253	645419853	/nfs/dbraw/zinc/41/98/53/645419853.db2.gz	ROKUXPBQJUOWKW-UHFFFAOYSA-N	0	1	235.243	0.938	20	30		BCEDMN
C[C@@H]1COC[C@@H]1N1CCN(CCC#N)CC1	ZINC000926807728	645439632	/nfs/dbraw/zinc/43/96/32/645439632.db2.gz	MFSDHWCUAMKLKW-NEPJUHHUSA-N	0	1	223.320	0.553	20	30		BCEDMN
C[C@H]1COC[C@H]1N1CCN(CCC#N)CC1	ZINC000926807729	645440382	/nfs/dbraw/zinc/44/03/82/645440382.db2.gz	MFSDHWCUAMKLKW-NWDGAFQWSA-N	0	1	223.320	0.553	20	30		BCEDMN
C=C(C)C[C@@H](CO)N[C@H](C)c1cnn(C)n1	ZINC000926866888	645464168	/nfs/dbraw/zinc/46/41/68/645464168.db2.gz	ZGVIZUVKTZHHHO-ZJUUUORDSA-N	0	1	224.308	0.793	20	30		BCEDMN
Cn1ccc(CNC[C@@H](O)CC2(C#N)CC2)n1	ZINC000863553644	645704165	/nfs/dbraw/zinc/70/41/65/645704165.db2.gz	HBDJLNJLVWHEPM-NSHDSACASA-N	0	1	234.303	0.564	20	30		BCEDMN
CCOC(=O)[C@@H](CSC)NC(=O)C(C)C#N	ZINC000928298327	645720238	/nfs/dbraw/zinc/72/02/38/645720238.db2.gz	UDZBVOMVQDYDQQ-HTQZYQBOSA-N	0	1	244.316	0.557	20	30		BCEDMN
C#CCC1(O)CCN([C@H](CC)C(N)=O)CC1	ZINC000880479694	645832743	/nfs/dbraw/zinc/83/27/43/645832743.db2.gz	UGEHSOFLDDEIEM-SNVBAGLBSA-N	0	1	224.304	0.101	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cc2ncc[nH]2)CC1	ZINC000928651275	645852602	/nfs/dbraw/zinc/85/26/02/645852602.db2.gz	RTRRCNGYQLHFLC-UHFFFAOYSA-N	0	1	246.314	0.166	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H](CC)CO)CC1	ZINC000928649414	645852954	/nfs/dbraw/zinc/85/29/54/645852954.db2.gz	KMHDKXNKARYEND-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCN(C(=O)NC[C@@H]1CCN1C)C1CC1	ZINC000925413154	646269841	/nfs/dbraw/zinc/26/98/41/646269841.db2.gz	FGHKSPLFEWOPAT-NSHDSACASA-N	0	1	221.304	0.498	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CCN1C	ZINC000925430859	646277937	/nfs/dbraw/zinc/27/79/37/646277937.db2.gz	CCLNBNCBKYXGEK-GHMZBOCLSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CCN1C	ZINC000925430862	646278664	/nfs/dbraw/zinc/27/86/64/646278664.db2.gz	CCLNBNCBKYXGEK-WDEREUQCSA-N	0	1	241.335	0.317	20	30		BCEDMN
CCN(CCC#N)CC1CN(S(C)(=O)=O)C1	ZINC000929774864	646303796	/nfs/dbraw/zinc/30/37/96/646303796.db2.gz	SMWVZCAFAQPYPL-UHFFFAOYSA-N	0	1	245.348	0.113	20	30		BCEDMN
N#CC[C@@H](O)CN1CCSC[C@H]1CCO	ZINC000929831525	646345726	/nfs/dbraw/zinc/34/57/26/646345726.db2.gz	FHAAOBWSRNOOCX-NXEZZACHSA-N	0	1	230.333	0.061	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCc2cn[nH]c2C1	ZINC000930068154	646416573	/nfs/dbraw/zinc/41/65/73/646416573.db2.gz	GIHRMCIMQJHZEA-LLVKDONJSA-N	0	1	207.277	0.705	20	30		BCEDMN
CCOCCO[C@H]1CCN(C[C@H](O)CC#N)C1	ZINC000930071423	646420735	/nfs/dbraw/zinc/42/07/35/646420735.db2.gz	GWQOLNZPIWXZST-NEPJUHHUSA-N	0	1	242.319	0.388	20	30		BCEDMN
C#C[C@H](N[C@@H]1CCC1(OC)OC)[C@H]1CCCO1	ZINC000926211929	646595088	/nfs/dbraw/zinc/59/50/88/646595088.db2.gz	WNASRWQLJYCNGN-QJPTWQEYSA-N	0	1	239.315	0.908	20	30		BCEDMN
C[C@@H](O)CN(CCO)Cc1cncc(C#N)c1	ZINC000721539701	711620611	/nfs/dbraw/zinc/62/06/11/711620611.db2.gz	CBZKIGBZKOWAQN-SNVBAGLBSA-N	0	1	235.287	0.128	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@](C)(COC)C1	ZINC000394484000	711688196	/nfs/dbraw/zinc/68/81/96/711688196.db2.gz	MYWNPKZOGYLRPP-GFCCVEGCSA-N	0	1	224.304	0.094	20	30		BCEDMN
C#C[C@H](NC(=O)c1[nH]ncc1F)[C@H]1CCCO1	ZINC000907484307	711815848	/nfs/dbraw/zinc/81/58/48/711815848.db2.gz	AHSCZLVEFHZMPP-DTWKUNHWSA-N	0	1	237.234	0.459	20	30		BCEDMN
Cc1cnccc1C(=O)NCC#CCN(C)C	ZINC000913521036	711823925	/nfs/dbraw/zinc/82/39/25/711823925.db2.gz	IZGJPDZRAPRVTK-UHFFFAOYSA-N	0	1	231.299	0.685	20	30		BCEDMN
COCCC(C)(C)C(=O)NCC#CCN(C)C	ZINC000913520961	711824073	/nfs/dbraw/zinc/82/40/73/711824073.db2.gz	GFIWNMHLKBWXRP-UHFFFAOYSA-N	0	1	240.347	0.730	20	30		BCEDMN
C#CCN1CC[C@@H](N(CC)C(=O)C2CC2)C1	ZINC001033728236	712016547	/nfs/dbraw/zinc/01/65/47/712016547.db2.gz	LEROLHCHRZIWCV-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
N#Cc1ncc[nH]c1=NOC[C@@H]1CCOC1	ZINC000788082020	712086759	/nfs/dbraw/zinc/08/67/59/712086759.db2.gz	CNNODUGRSWWGOJ-MRVPVSSYSA-N	0	1	220.232	0.728	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@H](C#N)C2)=NC1=O	ZINC000708394979	712192632	/nfs/dbraw/zinc/19/26/32/712192632.db2.gz	LOKLBNIXMGJXGZ-MRVPVSSYSA-N	0	1	234.259	0.501	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708396227	712192938	/nfs/dbraw/zinc/19/29/38/712192938.db2.gz	QYOYCVJBRQLDCY-JTQLQIEISA-N	0	1	222.248	0.548	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395900	712192997	/nfs/dbraw/zinc/19/29/97/712192997.db2.gz	KYSOGFUUESJJEM-SSDOTTSWSA-N	0	1	222.248	0.548	20	30		BCEDMN
C#CCN(C(=O)C1=NC(=O)N(C)C1)C(C)C	ZINC000708367306	712190784	/nfs/dbraw/zinc/19/07/84/712190784.db2.gz	LQSPUWYCUVMKIM-UHFFFAOYSA-N	0	1	221.260	0.610	20	30		BCEDMN
C=CC[N@H+](CCOC[C@@H]1CCCO1)CC(=O)[O-]	ZINC000710301742	712250974	/nfs/dbraw/zinc/25/09/74/712250974.db2.gz	KCSDPWNHMKTCEF-NSHDSACASA-N	0	1	243.303	0.755	20	30		BCEDMN
C=CC[N@H+](CCOC[C@H]1CCCO1)CC(=O)[O-]	ZINC000710301740	712251004	/nfs/dbraw/zinc/25/10/04/712251004.db2.gz	KCSDPWNHMKTCEF-LLVKDONJSA-N	0	1	243.303	0.755	20	30		BCEDMN
C#CCCS(=O)(=O)N1CCC[C@@H]1CN(C)C	ZINC000711065847	712278345	/nfs/dbraw/zinc/27/83/45/712278345.db2.gz	XLNRTJUBMLKHBS-LLVKDONJSA-N	0	1	244.360	0.366	20	30		BCEDMN
C[NH+]1CCN(N=C2CC(C(=O)[O-])C2)CC1	ZINC000378744909	712360340	/nfs/dbraw/zinc/36/03/40/712360340.db2.gz	QWPNRXIKJXSWBS-UHFFFAOYSA-N	0	1	211.265	0.084	20	30		BCEDMN
CN1CC[C@@H]1CNc1ccnc(C#N)c1	ZINC000712568739	712447177	/nfs/dbraw/zinc/44/71/77/712447177.db2.gz	FHKVCLLHYFJASW-LLVKDONJSA-N	0	1	202.261	0.491	20	30		BCEDMN
CN1CC[C@@H]1CNc1cc(C#N)ncn1	ZINC000712570615	712447431	/nfs/dbraw/zinc/44/74/31/712447431.db2.gz	STBRSOXSBKJMOC-SECBINFHSA-N	0	1	203.249	0.464	20	30		BCEDMN
C=CCC[C@@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000715946266	712545077	/nfs/dbraw/zinc/54/50/77/712545077.db2.gz	RKLPQMGLWIJEAV-UWVGGRQHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCC[C@H](CO)N[C@@H](C)c1cn(C)nn1	ZINC000715946268	712545130	/nfs/dbraw/zinc/54/51/30/712545130.db2.gz	RKLPQMGLWIJEAV-VHSXEESVSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CC[C@@H](COC)NCc1ccnc(OC)n1	ZINC000716817829	712576594	/nfs/dbraw/zinc/57/65/94/712576594.db2.gz	HBTYTDMDZWKUKQ-NSHDSACASA-N	0	1	235.287	0.613	20	30		BCEDMN
C[C@@H](O)[C@H](O)CNCc1ccc(C#N)cc1F	ZINC000717272296	712642021	/nfs/dbraw/zinc/64/20/21/712642021.db2.gz	UUOLJXUGAYDQJJ-PRHODGIISA-N	0	1	238.262	0.529	20	30		BCEDMN
C#CC[C@H](CO)NCc1c(C)nn(C)c1Cl	ZINC000717785963	712677002	/nfs/dbraw/zinc/67/70/02/712677002.db2.gz	HDGBQKQMOVMDQX-SECBINFHSA-N	0	1	241.722	0.856	20	30		BCEDMN
N#C[C@H]1CCCN(CCc2c[nH]nn2)C1	ZINC000932154914	712716235	/nfs/dbraw/zinc/71/62/35/712716235.db2.gz	RGVPMLNCQADYDW-SECBINFHSA-N	0	1	205.265	0.583	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ccncc1	ZINC001038013789	712898408	/nfs/dbraw/zinc/89/84/08/712898408.db2.gz	HKBKXHGYQYLISM-CYBMUJFWSA-N	0	1	243.310	0.909	20	30		BCEDMN
CC(C)(C)CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000393737164	710671683	/nfs/dbraw/zinc/67/16/83/710671683.db2.gz	AMSQXZOXCMQJLM-BDAKNGLRSA-N	0	1	209.293	0.650	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cncn1C	ZINC001038478153	710689671	/nfs/dbraw/zinc/68/96/71/710689671.db2.gz	SRYHIOQZWIBQFZ-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CCS(=O)(=O)CCNC1CSC1	ZINC000381839980	710732633	/nfs/dbraw/zinc/73/26/33/710732633.db2.gz	CZVFJKNKQIKVTO-UHFFFAOYSA-N	0	1	221.347	0.292	20	30		BCEDMN
C#CCCN1CC(N(C)C(=O)c2cnc(C)[nH]2)C1	ZINC001042543420	710791424	/nfs/dbraw/zinc/79/14/24/710791424.db2.gz	PLFDHMCNVOBGKE-UHFFFAOYSA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1	ZINC001046124597	710851017	/nfs/dbraw/zinc/85/10/17/710851017.db2.gz	XLWKBWRGRPTYIZ-WCQYABFASA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1	ZINC001046123135	710851039	/nfs/dbraw/zinc/85/10/39/710851039.db2.gz	QGXWYPGLDKUNAF-WCQYABFASA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1	ZINC001046301655	710859240	/nfs/dbraw/zinc/85/92/40/710859240.db2.gz	SULSKIDQNNLSIC-GFCCVEGCSA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cncnc2)C1	ZINC001046264347	710859259	/nfs/dbraw/zinc/85/92/59/710859259.db2.gz	QBAMKFZPXBHFLK-ZDUSSCGKSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001046537092	710861649	/nfs/dbraw/zinc/86/16/49/710861649.db2.gz	HAJCMBPFVIRSIQ-SFTQSGBHSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1	ZINC001047306990	710870171	/nfs/dbraw/zinc/87/01/71/710870171.db2.gz	WEMJNTAWMMSUNM-RYUDHWBXSA-N	0	1	238.331	0.169	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CN(C(=O)COC)C[C@@H]1C	ZINC001054304200	710926104	/nfs/dbraw/zinc/92/61/04/710926104.db2.gz	WPNOJHLUVPVLIX-WCBMZHEXSA-N	0	1	246.738	0.822	20	30		BCEDMN
C[C@H]1C[N@H+](CCOCCC#N)CCN1C	ZINC000385248247	711008542	/nfs/dbraw/zinc/00/85/42/711008542.db2.gz	RQVLTDKACZSDDE-NSHDSACASA-N	0	1	211.309	0.553	20	30		BCEDMN
C#CCONC(=O)c1n[nH]c2ccccc21	ZINC000390286742	711112012	/nfs/dbraw/zinc/11/20/12/711112012.db2.gz	XCSULXKPNDLRKH-UHFFFAOYSA-N	0	1	215.212	0.858	20	30		BCEDMN
C#CCN1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2	ZINC001071107823	711167160	/nfs/dbraw/zinc/16/71/60/711167160.db2.gz	ONXRJDUFZYRAMF-DGCLKSJQSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)C2CC2)CC[C@H]1C	ZINC001071291880	711186063	/nfs/dbraw/zinc/18/60/63/711186063.db2.gz	QMNINTBETWAGFZ-ZYHUDNBSSA-N	0	1	220.316	0.999	20	30		BCEDMN
C=C(C)CN1C[C@H](NC(=O)C(N)=O)CC[C@H]1C	ZINC001071788707	711202011	/nfs/dbraw/zinc/20/20/11/711202011.db2.gz	JGZDMLQLGFAUQA-NXEZZACHSA-N	0	1	239.319	0.017	20	30		BCEDMN
C#CCSCCNCc1ccnc(OC)n1	ZINC000395121359	711202177	/nfs/dbraw/zinc/20/21/77/711202177.db2.gz	KQIUPNFABAFKIH-UHFFFAOYSA-N	0	1	237.328	0.941	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cc(F)c[nH]1	ZINC001038521864	710692816	/nfs/dbraw/zinc/69/28/16/710692816.db2.gz	ONPOLPTWIMGHFI-LLVKDONJSA-N	0	1	249.289	0.981	20	30		BCEDMN
C=C(Cl)CN[C@H]1CN(C(=O)COC)C[C@H]1C	ZINC001054304199	710926376	/nfs/dbraw/zinc/92/63/76/710926376.db2.gz	WPNOJHLUVPVLIX-SCZZXKLOSA-N	0	1	246.738	0.822	20	30		BCEDMN
Cc1nc(CNC(=O)C2(C#N)CC(C)C2)n[nH]1	ZINC000392591708	711148449	/nfs/dbraw/zinc/14/84/49/711148449.db2.gz	DVQWFOMVKFBHDR-UHFFFAOYSA-N	0	1	233.275	0.669	20	30		BCEDMN
Cc1nc(CNC(=O)C2(C#N)CCC2)n[nH]1	ZINC000392619193	711150909	/nfs/dbraw/zinc/15/09/09/711150909.db2.gz	DSSKJKAOTFCZNG-UHFFFAOYSA-N	0	1	219.248	0.423	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)CC3CC3)C2)C1	ZINC001072389050	711365097	/nfs/dbraw/zinc/36/50/97/711365097.db2.gz	POXHRGRCXXDKJN-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C(C)(F)F)C2)C1	ZINC001072391387	711367248	/nfs/dbraw/zinc/36/72/48/711367248.db2.gz	FTZFEBJBMOAXDD-UHFFFAOYSA-N	0	1	242.269	0.809	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1	ZINC001072440310	711372623	/nfs/dbraw/zinc/37/26/23/711372623.db2.gz	ZYOKXJKALDLQGP-GFCCVEGCSA-N	0	1	248.326	0.333	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C(C)C)C2)C1	ZINC001072485987	711377160	/nfs/dbraw/zinc/37/71/60/711377160.db2.gz	NDXMPNPMNSZGFF-UHFFFAOYSA-N	0	1	220.316	0.810	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1	ZINC001072504897	711377823	/nfs/dbraw/zinc/37/78/23/711377823.db2.gz	WOOGQXAFABUNII-UHFFFAOYSA-N	0	1	244.298	0.191	20	30		BCEDMN
CN1CC[C@@H]1CNc1cnc(C#N)cn1	ZINC000712571289	711473336	/nfs/dbraw/zinc/47/33/36/711473336.db2.gz	WKJHZGMUANUJAX-SECBINFHSA-N	0	1	203.249	0.464	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2nc(C)c[nH]2)C1	ZINC000970560704	711479132	/nfs/dbraw/zinc/47/91/32/711479132.db2.gz	PPEISSIMIWXKBG-SNVBAGLBSA-N	0	1	248.330	0.954	20	30		BCEDMN
CC#CCN[C@H]1C(=O)NCC1(CC)CC	ZINC000933286815	711511137	/nfs/dbraw/zinc/51/11/37/711511137.db2.gz	FBSLJPUIAKMBCK-JTQLQIEISA-N	0	1	208.305	0.904	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1	ZINC001038040429	711565520	/nfs/dbraw/zinc/56/55/20/711565520.db2.gz	AKHXHQBMLQDDJG-LBPRGKRZSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cnn(C)c1	ZINC001038040429	711565521	/nfs/dbraw/zinc/56/55/21/711565521.db2.gz	AKHXHQBMLQDDJG-LBPRGKRZSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)[C@H]2CCOC2)C1	ZINC001006881798	711655763	/nfs/dbraw/zinc/65/57/63/711655763.db2.gz	NQBORKCSDBOWMG-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
CC(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000125183613	711718771	/nfs/dbraw/zinc/71/87/71/711718771.db2.gz	HTPFYABWHVNMAG-MRVPVSSYSA-N	0	1	203.201	0.749	20	30		BCEDMN
N#CCN1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1	ZINC001075569400	711729951	/nfs/dbraw/zinc/72/99/51/711729951.db2.gz	QGGSALRVOFUHKI-GXSJLCMTSA-N	0	1	245.286	0.080	20	30		BCEDMN
C[C@H](CC(C)(C)C#N)NC1(C(N)=O)CC1	ZINC000893554556	711735920	/nfs/dbraw/zinc/73/59/20/711735920.db2.gz	XOFAUFAMIMFCCY-MRVPVSSYSA-N	0	1	209.293	0.922	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2cn[nH]c2)CC1	ZINC000980755441	711748044	/nfs/dbraw/zinc/74/80/44/711748044.db2.gz	FDCIRHBIWNLNNH-UHFFFAOYSA-N	0	1	246.314	0.581	20	30		BCEDMN
Cc1ncc(C(=O)N2CCCN(CC#N)CC2)[nH]1	ZINC000980843324	711749314	/nfs/dbraw/zinc/74/93/14/711749314.db2.gz	YTDAOBKILILXJD-UHFFFAOYSA-N	0	1	247.302	0.390	20	30		BCEDMN
CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C	ZINC001038119345	711801445	/nfs/dbraw/zinc/80/14/45/711801445.db2.gz	VVDGMGNQHBTILJ-CHWSQXEVSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCC(CC#C)C(=O)N1CC(N2CCCC2)C1	ZINC000898604491	711802050	/nfs/dbraw/zinc/80/20/50/711802050.db2.gz	ZWYQKKLSCUZHJR-UHFFFAOYSA-N	0	1	244.338	0.956	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)[C@@H]2C1	ZINC001076287215	711804739	/nfs/dbraw/zinc/80/47/39/711804739.db2.gz	JSYGYGBMQHFCFN-RWMBFGLXSA-N	0	1	244.338	0.952	20	30		BCEDMN
Cc1cn(C)nc1C(=O)NCC#CCN(C)C	ZINC000913523103	711823144	/nfs/dbraw/zinc/82/31/44/711823144.db2.gz	MDSLBLVKXVXOIJ-UHFFFAOYSA-N	0	1	234.303	0.023	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1(F)CCOCC1	ZINC000913525223	711823519	/nfs/dbraw/zinc/82/35/19/711823519.db2.gz	OHSPWBULJOTUPG-UHFFFAOYSA-N	0	1	242.294	0.186	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)no1	ZINC000913515234	711823544	/nfs/dbraw/zinc/82/35/44/711823544.db2.gz	NZLDEKAISDJOKX-UHFFFAOYSA-N	0	1	221.260	0.278	20	30		BCEDMN
Cc1noc(C)c1CC(=O)NCC#CCN(C)C	ZINC000913515208	711823550	/nfs/dbraw/zinc/82/35/50/711823550.db2.gz	NGCNHPNOQJHXFW-UHFFFAOYSA-N	0	1	249.314	0.515	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000913524434	711823604	/nfs/dbraw/zinc/82/36/04/711823604.db2.gz	MOYSEBQTDVMPPS-GDNZZTSVSA-N	0	1	220.316	0.714	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1C[C@@]12CCOC2	ZINC000913521043	711823901	/nfs/dbraw/zinc/82/39/01/711823901.db2.gz	JEBVDNMDLWLEEN-DGCLKSJQSA-N	0	1	236.315	0.094	20	30		BCEDMN
CC(C)[C@H]1C[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913521091	711823975	/nfs/dbraw/zinc/82/39/75/711823975.db2.gz	KPKROJNBTXQKSL-NEPJUHHUSA-N	0	1	222.332	0.960	20	30		BCEDMN
CO[C@@H](C(=O)NCC#CCN(C)C)C(C)C	ZINC000913521033	711824065	/nfs/dbraw/zinc/82/40/65/711824065.db2.gz	IUPASTJYGZGSTF-LLVKDONJSA-N	0	1	226.320	0.339	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1(CCF)CC1	ZINC000913522468	711824173	/nfs/dbraw/zinc/82/41/73/711824173.db2.gz	KQTUBCUPUWUZRQ-UHFFFAOYSA-N	0	1	226.295	0.807	20	30		BCEDMN
C=CCN1CC(NC(=O)[C@H]2CCCN2C)C1	ZINC001030155932	711827172	/nfs/dbraw/zinc/82/71/72/711827172.db2.gz	RQBNXEBKPDRGAG-LLVKDONJSA-N	0	1	223.320	0.067	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1c[nH]nc1C	ZINC001038581745	711876424	/nfs/dbraw/zinc/87/64/24/711876424.db2.gz	UISHRPBGLXFHPP-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccn(CC)n2)C1	ZINC001015792384	711879212	/nfs/dbraw/zinc/87/92/12/711879212.db2.gz	WDJBIOGTADLIKP-NSHDSACASA-N	0	1	248.330	0.893	20	30		BCEDMN
C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1	ZINC001078053495	711939401	/nfs/dbraw/zinc/93/94/01/711939401.db2.gz	HJJNCNBHLWGMRF-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
CC1(C)CC(=O)NCCN1CCCC#N	ZINC000708098628	711950513	/nfs/dbraw/zinc/95/05/13/711950513.db2.gz	AKPNBHRJGUYWOD-UHFFFAOYSA-N	0	1	209.293	0.891	20	30		BCEDMN
CC#CCN1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1	ZINC001032932188	711968761	/nfs/dbraw/zinc/96/87/61/711968761.db2.gz	PRXLTZOXLMOADK-GFCCVEGCSA-N	0	1	246.314	0.579	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1	ZINC001032979454	711970220	/nfs/dbraw/zinc/97/02/20/711970220.db2.gz	CZILVNBWOPFTIQ-LBPRGKRZSA-N	0	1	246.314	0.118	20	30		BCEDMN
CNC(=O)[C@@H](C#N)C(=O)[C@H]1CC1(Cl)Cl	ZINC000133427720	711980686	/nfs/dbraw/zinc/98/06/86/711980686.db2.gz	DZASJMJARMRMMS-CRCLSJGQSA-N	0	1	235.070	0.635	20	30		BCEDMN
C#CCCN1CC[C@@H](N(C)C(=O)c2cnco2)C1	ZINC001033310289	711981949	/nfs/dbraw/zinc/98/19/49/711981949.db2.gz	UYODDGULOVKKJE-LLVKDONJSA-N	0	1	247.298	0.844	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2cnoc2)C1	ZINC001033355849	711987284	/nfs/dbraw/zinc/98/72/84/711987284.db2.gz	GMOBGNOKYLEVQG-LBPRGKRZSA-N	0	1	247.298	0.383	20	30		BCEDMN
CC#CCN1CC[C@@H](N(CC)C(C)=O)C1	ZINC001033722937	712014502	/nfs/dbraw/zinc/01/45/02/712014502.db2.gz	NETGXIDHQRXRIN-GFCCVEGCSA-N	0	1	208.305	0.952	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000702294668	712043316	/nfs/dbraw/zinc/04/33/16/712043316.db2.gz	CXUPWIAVLWLSAM-SNVBAGLBSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCNC(=O)[C@H](N)[C@H](C)OCc1ccccc1	ZINC000705978616	712139535	/nfs/dbraw/zinc/13/95/35/712139535.db2.gz	GUMUZWVIAPVUSR-WCQYABFASA-N	0	1	246.310	0.668	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2	ZINC001035673076	712140090	/nfs/dbraw/zinc/14/00/90/712140090.db2.gz	LWBJWMVQKBKCPR-GFCCVEGCSA-N	0	1	245.326	0.704	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@H]2CCc3[nH]cnc3C2)=NO1	ZINC000504725087	712166577	/nfs/dbraw/zinc/16/65/77/712166577.db2.gz	GFZDSRIKFPLSQJ-YUMQZZPRSA-N	0	1	248.286	0.753	20	30		BCEDMN
C#CC1(O)CCN(CC(=O)N(C)C2CC2)CC1	ZINC000708136589	712182619	/nfs/dbraw/zinc/18/26/19/712182619.db2.gz	IJDALYCZMYKRHR-UHFFFAOYSA-N	0	1	236.315	0.067	20	30		BCEDMN
CN1CC(C(=O)NCC(C)(C)CC#N)=NC1=O	ZINC000708394893	712192601	/nfs/dbraw/zinc/19/26/01/712192601.db2.gz	BVTLXMAHBCMEEL-UHFFFAOYSA-N	0	1	236.275	0.795	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395809	712192849	/nfs/dbraw/zinc/19/28/49/712192849.db2.gz	DVGMTKSYAOQCTR-SSDOTTSWSA-N	0	1	222.248	0.404	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@@H](C#N)C2)=NC1=O	ZINC000708394987	712193039	/nfs/dbraw/zinc/19/30/39/712193039.db2.gz	LOKLBNIXMGJXGZ-QMMMGPOBSA-N	0	1	234.259	0.501	20	30		BCEDMN
C#CCCCS(=O)(=O)N[C@@H](C)CN(C)C	ZINC000710048793	712243627	/nfs/dbraw/zinc/24/36/27/712243627.db2.gz	CSXZTSBQASCUSL-JTQLQIEISA-N	0	1	232.349	0.269	20	30		BCEDMN
C#CCCCS(=O)(=O)Nc1ccnc(C)c1	ZINC000710104792	712245153	/nfs/dbraw/zinc/24/51/53/712245153.db2.gz	OXTFGDZYRJAIPQ-UHFFFAOYSA-N	0	1	238.312	0.967	20	30		BCEDMN
C#CCCCS(=O)(=O)NC1CCN(C)CC1	ZINC000710205559	712248527	/nfs/dbraw/zinc/24/85/27/712248527.db2.gz	RIURAAJNTDKUQA-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCCS(=O)(=O)NCCN(C)C1CC1	ZINC000711016451	712275205	/nfs/dbraw/zinc/27/52/05/712275205.db2.gz	OQFKZMKPKBHZTI-UHFFFAOYSA-N	0	1	230.333	0.023	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1cc(N(C)C)ccn1	ZINC000923217509	712305880	/nfs/dbraw/zinc/30/58/80/712305880.db2.gz	DTJKOYBFFOGXEA-SNVBAGLBSA-N	0	1	246.314	0.969	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1	ZINC001079392349	712347767	/nfs/dbraw/zinc/34/77/67/712347767.db2.gz	YQVPVPFGXGQSPF-IJLUTSLNSA-N	0	1	238.331	0.788	20	30		BCEDMN
CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001079453241	712349033	/nfs/dbraw/zinc/34/90/33/712349033.db2.gz	FSDMGDCPIGOJJZ-ZYHUDNBSSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1	ZINC001079569007	712349793	/nfs/dbraw/zinc/34/97/93/712349793.db2.gz	UDGZUWZOFLLUHY-GHMZBOCLSA-N	0	1	248.330	0.656	20	30		BCEDMN
CSCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000390819122	712427733	/nfs/dbraw/zinc/42/77/33/712427733.db2.gz	SIZPYVPHPQBPQW-BDAKNGLRSA-N	0	1	227.333	0.357	20	30		BCEDMN
CN1CC[C@@H]1CNc1cncc(C#N)n1	ZINC000712592521	712435306	/nfs/dbraw/zinc/43/53/06/712435306.db2.gz	STJPORMNXIMXCP-SECBINFHSA-N	0	1	203.249	0.464	20	30		BCEDMN
CCN1CC[C@H]1CNc1cc(C#N)cnn1	ZINC000712593264	712435608	/nfs/dbraw/zinc/43/56/08/712435608.db2.gz	XWIWPECVVMUYPW-JTQLQIEISA-N	0	1	217.276	0.854	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cn(CC)nn1	ZINC000714928190	712500682	/nfs/dbraw/zinc/50/06/82/712500682.db2.gz	NIMHZMIRZFDLNO-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CC[C@@H](C)[N@@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715015061	712504150	/nfs/dbraw/zinc/50/41/50/712504150.db2.gz	JRCGVKKVJZKVLU-SECBINFHSA-N	0	1	229.276	0.901	20	30		BCEDMN
C=CCC[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000715830913	712534102	/nfs/dbraw/zinc/53/41/02/712534102.db2.gz	MNWHUJKEMAWEPS-CMPLNLGQSA-N	0	1	225.288	0.986	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)c1[nH]nc(C)c1C	ZINC000716624917	712567936	/nfs/dbraw/zinc/56/79/36/712567936.db2.gz	XWVZLTXYCQXGGB-SNVBAGLBSA-N	0	1	235.287	0.531	20	30		BCEDMN
CCOC(=O)[C@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000809571146	712584299	/nfs/dbraw/zinc/58/42/99/712584299.db2.gz	YAFMNPZVJXEWJG-WDEREUQCSA-N	0	1	240.303	0.536	20	30		BCEDMN
C#CCN1CCC[C@@H](Nc2ccnc(C#N)c2)C1	ZINC000884611644	712647815	/nfs/dbraw/zinc/64/78/15/712647815.db2.gz	QQHFHXGXKGRKNB-CYBMUJFWSA-N	0	1	240.310	0.885	20	30		BCEDMN
C=CCC1(O)CCN(CC(=O)N(C)C)CC1	ZINC000717424307	712658163	/nfs/dbraw/zinc/65/81/63/712658163.db2.gz	ORHNAPCTEWDULI-UHFFFAOYSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCC1(O)CCN([C@H]2CCNC2=O)CC1	ZINC000717495928	712659910	/nfs/dbraw/zinc/65/99/10/712659910.db2.gz	TWCBAQJDBDLUFF-JTQLQIEISA-N	0	1	224.304	0.278	20	30		BCEDMN
C#CC[C@H](CO)NCc1cccc2c1OCO2	ZINC000717741785	712668473	/nfs/dbraw/zinc/66/84/73/712668473.db2.gz	YRZLZONAZQXIHO-LLVKDONJSA-N	0	1	233.267	0.889	20	30		BCEDMN
C#CC[C@@H](CO)N[C@@H](C)c1cnccn1	ZINC000717778188	712675706	/nfs/dbraw/zinc/67/57/06/712675706.db2.gz	YLVBRBPCXBCHME-UWVGGRQHSA-N	0	1	205.261	0.511	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccco1	ZINC000717958015	712735476	/nfs/dbraw/zinc/73/54/76/712735476.db2.gz	FQAMBDASPGHYAS-UHFFFAOYSA-N	0	1	206.245	0.574	20	30		BCEDMN
CCCOCC(=O)NCC#CCN(C)C	ZINC000717958031	712735332	/nfs/dbraw/zinc/73/53/32/712735332.db2.gz	GLDIRCPBXOPENE-UHFFFAOYSA-N	0	1	212.293	0.094	20	30		BCEDMN
C#C[C@@H](CO)Nc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000718197269	712753178	/nfs/dbraw/zinc/75/31/78/712753178.db2.gz	DSPKAKPVGXMBEA-QMMMGPOBSA-N	0	1	220.228	0.494	20	30		BCEDMN
C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)N(C)C	ZINC000602114305	349444949	/nfs/dbraw/zinc/44/49/49/349444949.db2.gz	CGMWNUNTABRABI-BDAKNGLRSA-N	0	1	211.309	0.991	20	30		BCEDMN
C[C@H](C(=O)NC1(C#N)CCSCC1)N(C)C	ZINC000602127781	349456674	/nfs/dbraw/zinc/45/66/74/349456674.db2.gz	YFBRQBKHZFRHKT-SECBINFHSA-N	0	1	241.360	0.842	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)CCCc1nn[nH]n1)C1CC1	ZINC000602178458	349461751	/nfs/dbraw/zinc/46/17/51/349461751.db2.gz	KHPQHSVXKZLTTM-QMMMGPOBSA-N	0	1	248.290	0.425	20	30		BCEDMN
C=CCN(CCC#N)C(=O)[C@@H](C)N(C)C	ZINC000602152171	349462090	/nfs/dbraw/zinc/46/20/90/349462090.db2.gz	GEYQMSWNBRANGK-SNVBAGLBSA-N	0	1	209.293	0.865	20	30		BCEDMN
CC#CCN1CC[C@H](N2CCCC2=O)C1	ZINC000270960542	398143303	/nfs/dbraw/zinc/14/33/03/398143303.db2.gz	UZQWVHOWDMGKIB-NSHDSACASA-N	0	1	206.289	0.706	20	30		BCEDMN
C[C@H](C(=O)N1CC[C@](C)(C#N)C1)N(C)C	ZINC000602188432	349468877	/nfs/dbraw/zinc/46/88/77/349468877.db2.gz	QFMXQASNRJAQQT-MWLCHTKSSA-N	0	1	209.293	0.699	20	30		BCEDMN
Cc1cc(C(=O)N2CCN(CCC#N)CC2)n[nH]1	ZINC000602210275	349475816	/nfs/dbraw/zinc/47/58/16/349475816.db2.gz	OBTFOZBMAKDIAM-UHFFFAOYSA-N	0	1	247.302	0.390	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@](C)(COC)C1	ZINC000626175982	346814873	/nfs/dbraw/zinc/81/48/73/346814873.db2.gz	CZOXCWJZNUWEQU-RYUDHWBXSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)[C@H](C)OC)nn1	ZINC000424290915	398180090	/nfs/dbraw/zinc/18/00/90/398180090.db2.gz	CMWFRHRZFAYXHE-ZJUUUORDSA-N	0	1	224.308	0.977	20	30		BCEDMN
CC#CCN[C@]1(CC(=O)OC)CCOC1	ZINC000308967449	136217236	/nfs/dbraw/zinc/21/72/36/136217236.db2.gz	WTEVVHRCGLIJFO-NSHDSACASA-N	0	1	211.261	0.322	20	30		BCEDMN
C[C@H](CO)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000218151478	398202470	/nfs/dbraw/zinc/20/24/70/398202470.db2.gz	ULEGPZNFKNPRNH-ZWNOBZJWSA-N	0	1	234.299	0.904	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NS(C)(=O)=O)C1	ZINC000116891663	136220085	/nfs/dbraw/zinc/22/00/85/136220085.db2.gz	JMBFWUSGSCEJTR-SECBINFHSA-N	0	1	218.322	0.186	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)NCCN1CC[C@H](O)C1	ZINC000629915713	361770176	/nfs/dbraw/zinc/77/01/76/361770176.db2.gz	LRDFJHSTKVQKTH-NEPJUHHUSA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@H]1CN(C(=O)C2(C#N)CCC2)CCN1	ZINC000602435149	349522339	/nfs/dbraw/zinc/52/23/39/349522339.db2.gz	TZVQKTAKZRWSEK-VIFPVBQESA-N	0	1	207.277	0.501	20	30		BCEDMN
C[C@@H](NC(=O)NCC1(C#N)CC1)c1nnc[nH]1	ZINC000576535026	365621978	/nfs/dbraw/zinc/62/19/78/365621978.db2.gz	FHUWTMVCRQZHMV-SSDOTTSWSA-N	0	1	234.263	0.469	20	30		BCEDMN
C=CC(C)(C)CCNC(=O)[C@@H](N)CC(=O)OC	ZINC000602531469	349579942	/nfs/dbraw/zinc/57/99/42/349579942.db2.gz	ISRNKSULTJWOTL-VIFPVBQESA-N	0	1	242.319	0.595	20	30		BCEDMN
N#CC1(C(=O)NC[C@H]2COCCN2)CCCC1	ZINC000602551951	349593840	/nfs/dbraw/zinc/59/38/40/349593840.db2.gz	PVMLESSRGAKPPX-JTQLQIEISA-N	0	1	237.303	0.175	20	30		BCEDMN
N#CC1(C(=O)NC[C@@H]2COCCN2)CC2(CC2)C1	ZINC000602552533	349594588	/nfs/dbraw/zinc/59/45/88/349594588.db2.gz	UKVNPPLTBAHSDV-SNVBAGLBSA-N	0	1	249.314	0.175	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)C1(N(C)C)CC1	ZINC000613254204	361850357	/nfs/dbraw/zinc/85/03/57/361850357.db2.gz	WEUYMQWPHCOKGV-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CN(C)C1CCC1	ZINC000630005068	361895623	/nfs/dbraw/zinc/89/56/23/361895623.db2.gz	QHIILPHTIBOSJY-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
N#Cc1cc(N2CCc3cn[nH]c3C2)ncn1	ZINC000617961661	342789494	/nfs/dbraw/zinc/78/94/94/342789494.db2.gz	AMTOGYHMCJNVEJ-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCS[C@@H](CC)C1	ZINC000247646427	323013536	/nfs/dbraw/zinc/01/35/36/323013536.db2.gz	ULTINYHEZZVEDH-MNOVXSKESA-N	0	1	240.372	0.952	20	30		BCEDMN
Cc1cc(C#N)nc(N(C)Cc2nnc[nH]2)n1	ZINC000287432480	398308469	/nfs/dbraw/zinc/30/84/69/398308469.db2.gz	UTPIYPXQURGTIS-UHFFFAOYSA-N	0	1	229.247	0.411	20	30		BCEDMN
CO[C@@H](CN1CCN(CC#N)CC1)C1CC1	ZINC000400184462	398318750	/nfs/dbraw/zinc/31/87/50/398318750.db2.gz	QUIBMLXFIHCLCG-LBPRGKRZSA-N	0	1	223.320	0.553	20	30		BCEDMN
CO[C@H](CN1CCN(CC#N)CC1)C1CC1	ZINC000400184461	398318923	/nfs/dbraw/zinc/31/89/23/398318923.db2.gz	QUIBMLXFIHCLCG-GFCCVEGCSA-N	0	1	223.320	0.553	20	30		BCEDMN
Cc1nnc2n1C[C@@H](CNC([O-])=[NH+]C1CC1)CC2	ZINC000329675655	136246057	/nfs/dbraw/zinc/24/60/57/136246057.db2.gz	VVCSMQGCVPGVME-SECBINFHSA-N	0	1	249.318	0.815	20	30		BCEDMN
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])NC1CC1)CC2	ZINC000329675655	136246058	/nfs/dbraw/zinc/24/60/58/136246058.db2.gz	VVCSMQGCVPGVME-SECBINFHSA-N	0	1	249.318	0.815	20	30		BCEDMN
N#Cc1cccc(CCNC(=O)c2ncn[nH]2)c1	ZINC000343023342	342903309	/nfs/dbraw/zinc/90/33/09/342903309.db2.gz	HOKSIZCMBFVCMX-UHFFFAOYSA-N	0	1	241.254	0.649	20	30		BCEDMN
N#Cc1cccc(CCNC(=O)c2nc[nH]n2)c1	ZINC000343023342	342903310	/nfs/dbraw/zinc/90/33/10/342903310.db2.gz	HOKSIZCMBFVCMX-UHFFFAOYSA-N	0	1	241.254	0.649	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCn2c(n[nH]c2=O)C1	ZINC000602618234	349640037	/nfs/dbraw/zinc/64/00/37/349640037.db2.gz	RSYRPNVFAJMVPT-VIFPVBQESA-N	0	1	235.291	0.739	20	30		BCEDMN
N#CC1(CN[C@H]2CCCNC(=O)C2)CC1	ZINC000602642753	349655152	/nfs/dbraw/zinc/65/51/52/349655152.db2.gz	MCUGDDNBKKJXKF-VIFPVBQESA-N	0	1	207.277	0.548	20	30		BCEDMN
CO[C@@]1(CNCC2(C#N)CC2)CCOC1	ZINC000602643594	349655949	/nfs/dbraw/zinc/65/59/49/349655949.db2.gz	RFCNVEYVKGEZBF-LLVKDONJSA-N	0	1	210.277	0.685	20	30		BCEDMN
N#CC[C@]1(O)CCN(Cc2ccc(=O)[nH]c2)C1	ZINC000602695078	349691564	/nfs/dbraw/zinc/69/15/64/349691564.db2.gz	CPSNRDSZVZNHLI-LBPRGKRZSA-N	0	1	233.271	0.638	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@H](O)C1	ZINC000351813722	136254505	/nfs/dbraw/zinc/25/45/05/136254505.db2.gz	RPTKXLIOBMQSES-GMTAPVOTSA-N	0	1	239.319	0.060	20	30		BCEDMN
C[C@@H](CCC#N)CN1CCO[C@H](CC(N)=O)C1	ZINC000602726205	349715869	/nfs/dbraw/zinc/71/58/69/349715869.db2.gz	WGVHRUJJZIWHGD-WDEREUQCSA-N	0	1	239.319	0.502	20	30		BCEDMN
C[C@H](CCC#N)N(C)[C@@H]1CCN(C)C1=O	ZINC000518193162	259338679	/nfs/dbraw/zinc/33/86/79/259338679.db2.gz	VXLBZTMKDUJGPX-NXEZZACHSA-N	0	1	209.293	0.841	20	30		BCEDMN
C[C@@H]1CC(=O)NCCN1CC1(CC#N)CC1	ZINC000602801592	349742122	/nfs/dbraw/zinc/74/21/22/349742122.db2.gz	WZGSAIHAHDRHPV-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCC1(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1	ZINC000602837003	349776241	/nfs/dbraw/zinc/77/62/41/349776241.db2.gz	IWYZURPLORPALL-GHMZBOCLSA-N	0	1	249.314	0.270	20	30		BCEDMN
Cn1nccc1[C@@H](CO)NCC1(CC#N)CC1	ZINC000602838221	349777493	/nfs/dbraw/zinc/77/74/93/349777493.db2.gz	BULOFQOKHFHKTF-SNVBAGLBSA-N	0	1	234.303	0.737	20	30		BCEDMN
C[C@H]1CN(Cc2cnc[nH]2)C[C@H](C)N1CC#N	ZINC000602848204	349783263	/nfs/dbraw/zinc/78/32/63/349783263.db2.gz	FLDHKFSSZBRDLB-QWRGUYRKSA-N	0	1	233.319	0.828	20	30		BCEDMN
C[C@@H](CC#N)NCCCS(=O)(=O)N(C)C	ZINC000602860185	349771728	/nfs/dbraw/zinc/77/17/28/349771728.db2.gz	BUQKPIFEOPMSOV-VIFPVBQESA-N	0	1	233.337	0.160	20	30		BCEDMN
C[C@H]1CN(CCc2cn[nH]c2)C[C@H](C)N1CC#N	ZINC000602849710	349785017	/nfs/dbraw/zinc/78/50/17/349785017.db2.gz	MSRZGJTZHYHPAA-RYUDHWBXSA-N	0	1	247.346	0.870	20	30		BCEDMN
C=CCNC(=O)[C@H](C)n1cc(CNC2CC2)nn1	ZINC000640883371	362069085	/nfs/dbraw/zinc/06/90/85/362069085.db2.gz	GZHHYLCYZCLRSC-VIFPVBQESA-N	0	1	249.318	0.393	20	30		BCEDMN
CC(C)OC[C@H](O)CN[C@H](C)CC#N	ZINC000602864544	349797034	/nfs/dbraw/zinc/79/70/34/349797034.db2.gz	RXAWTIZMZYWRHE-NXEZZACHSA-N	0	1	200.282	0.664	20	30		BCEDMN
CCOCC[C@H](O)CN[C@@H](C)CC#N	ZINC000602868421	349799003	/nfs/dbraw/zinc/79/90/03/349799003.db2.gz	BGZKADFQWPEOPS-UWVGGRQHSA-N	0	1	200.282	0.666	20	30		BCEDMN
N#Cc1cscc1C(=O)NCc1c[nH]nn1	ZINC000590290401	346930880	/nfs/dbraw/zinc/93/08/80/346930880.db2.gz	BZFWMRZLOIFJHY-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
C=CCCS(=O)(=O)NCc1cnc[nH]1	ZINC000625297713	343225898	/nfs/dbraw/zinc/22/58/98/343225898.db2.gz	JSYNMUWLTMCOCL-UHFFFAOYSA-N	0	1	215.278	0.405	20	30		BCEDMN
N/C(=N\O)[C@H]1CCCCN1CCCF	ZINC000088025483	136283684	/nfs/dbraw/zinc/28/36/84/136283684.db2.gz	AONKCVIUERYQLN-MRVPVSSYSA-N	0	1	203.261	0.947	20	30		BCEDMN
N#Cc1cnc(N2CCN(CCCF)CC2)cn1	ZINC000402860523	343238443	/nfs/dbraw/zinc/23/84/43/343238443.db2.gz	XMKUVUKQBYWSAY-UHFFFAOYSA-N	0	1	249.293	0.830	20	30		BCEDMN
CN(C)CC(=O)N[C@@]1(C#N)CCSC1	ZINC000608959408	343249987	/nfs/dbraw/zinc/24/99/87/343249987.db2.gz	AYZSKMYDCPCTMY-SECBINFHSA-N	0	1	213.306	0.063	20	30		BCEDMN
C[C@H](CC#N)NC[C@H]1CCc2ncnn21	ZINC000602871841	349803469	/nfs/dbraw/zinc/80/34/69/349803469.db2.gz	YBPSJDRRGQHPRD-RKDXNWHRSA-N	0	1	205.265	0.657	20	30		BCEDMN
C[C@@H](CC#N)NC[C@@H]1CCc2ncnn21	ZINC000602871840	349803495	/nfs/dbraw/zinc/80/34/95/349803495.db2.gz	YBPSJDRRGQHPRD-IUCAKERBSA-N	0	1	205.265	0.657	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)CC1(O)CCC1	ZINC000602871731	349803632	/nfs/dbraw/zinc/80/36/32/349803632.db2.gz	VKTSJIDIMYTIDN-NXEZZACHSA-N	0	1	212.293	0.544	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)NCCCC#N	ZINC000274580882	136285224	/nfs/dbraw/zinc/28/52/24/136285224.db2.gz	ISZLEPQZAUGXLL-UHFFFAOYSA-N	0	1	221.264	0.821	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC2(CCO2)CC1	ZINC000367091178	136343348	/nfs/dbraw/zinc/34/33/48/136343348.db2.gz	HJIVRIXLPDVOHY-NSHDSACASA-N	0	1	236.315	0.379	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc(CNCC)nn1	ZINC000641083385	362204009	/nfs/dbraw/zinc/20/40/09/362204009.db2.gz	BEPGKGZUADEXAV-SNVBAGLBSA-N	0	1	210.281	0.497	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc(CNCC)nn1	ZINC000641083381	362204148	/nfs/dbraw/zinc/20/41/48/362204148.db2.gz	BEPGKGZUADEXAV-JTQLQIEISA-N	0	1	210.281	0.497	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NC[C@@H]1COCCO1	ZINC000329011152	136364728	/nfs/dbraw/zinc/36/47/28/136364728.db2.gz	OPBBCWKWHXCZKW-NXEZZACHSA-N	0	1	228.292	0.453	20	30		BCEDMN
C=CC[C@H](CO)NCc1cn(C(C)C)nn1	ZINC000290063899	136375642	/nfs/dbraw/zinc/37/56/42/136375642.db2.gz	HMSPEETUIAMQNK-SNVBAGLBSA-N	0	1	224.308	0.886	20	30		BCEDMN
C=CCN(CC=C)C[C@H](O)CC(=O)OCC	ZINC000135028307	343491397	/nfs/dbraw/zinc/49/13/97/343491397.db2.gz	VVAQIJBYCOFCRP-LLVKDONJSA-N	0	1	227.304	0.975	20	30		BCEDMN
COCCN(CCC#N)C(=O)C(C)C#N	ZINC000070846636	343513090	/nfs/dbraw/zinc/51/30/90/343513090.db2.gz	FPPFKAGGINYYIF-VIFPVBQESA-N	0	1	209.249	0.535	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000044828219	343516472	/nfs/dbraw/zinc/51/64/72/343516472.db2.gz	DFSYJRZFMCCFOT-VHSXEESVSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1CC1(C#N)CC1	ZINC000602899701	349815305	/nfs/dbraw/zinc/81/53/05/349815305.db2.gz	RCEPWHBYPCSLHS-VHSXEESVSA-N	0	1	210.277	0.108	20	30		BCEDMN
CO[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@](C)(CO)C1	ZINC000602964240	349827012	/nfs/dbraw/zinc/82/70/12/349827012.db2.gz	NQUOHTPDPJBAKG-QWRGUYRKSA-N	0	1	224.304	0.762	20	30		BCEDMN
CO[C@@H]1CN(CC2(C#N)CC2)[C@](C)(CO)C1	ZINC000602964240	349827013	/nfs/dbraw/zinc/82/70/13/349827013.db2.gz	NQUOHTPDPJBAKG-QWRGUYRKSA-N	0	1	224.304	0.762	20	30		BCEDMN
C=CCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000634695307	343622851	/nfs/dbraw/zinc/62/28/51/343622851.db2.gz	SDWXPRVRCRKOMM-PWSUYJOCSA-N	0	1	243.303	0.753	20	30		BCEDMN
CN(CCC(=O)NC(N)=O)[C@H]1CCC[C@@H]1C#N	ZINC000602976972	349841833	/nfs/dbraw/zinc/84/18/33/349841833.db2.gz	VXEGJABSQKJYSE-BDAKNGLRSA-N	0	1	238.291	0.195	20	30		BCEDMN
N#Cc1cccc(NC(=O)[C@@H]2CNCCO2)c1	ZINC000043712558	343737683	/nfs/dbraw/zinc/73/76/83/343737683.db2.gz	HTIOBIZXZPXLOO-NSHDSACASA-N	0	1	231.255	0.485	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@H](O)C[C@H]1C	ZINC000340920824	343719428	/nfs/dbraw/zinc/71/94/28/343719428.db2.gz	XGRQYIKCTUACDG-VXGBXAGGSA-N	0	1	238.331	0.642	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)NCc2cnc[nH]2)c1	ZINC000334218856	343838553	/nfs/dbraw/zinc/83/85/53/343838553.db2.gz	YQWNREOMJZRFIB-UHFFFAOYSA-N	0	1	215.216	0.539	20	30		BCEDMN
C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C#N)n(C)c1	ZINC000334745768	343904736	/nfs/dbraw/zinc/90/47/36/343904736.db2.gz	ADVSXVVYVVYKFO-BXKDBHETSA-N	0	1	219.288	0.852	20	30		BCEDMN
C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C#N)n(C)c1	ZINC000334745771	343905041	/nfs/dbraw/zinc/90/50/41/343905041.db2.gz	ADVSXVVYVVYKFO-SKDRFNHKSA-N	0	1	219.288	0.852	20	30		BCEDMN
C=CCC[C@H](O)Cn1cc(CNC2CC2)nn1	ZINC000641211634	362272798	/nfs/dbraw/zinc/27/27/98/362272798.db2.gz	AVYQGLISAXFQRJ-LBPRGKRZSA-N	0	1	236.319	0.857	20	30		BCEDMN
C=CCC[C@@H](O)Cn1cc([C@@H](C)NC)nn1	ZINC000641212738	362274890	/nfs/dbraw/zinc/27/48/90/362274890.db2.gz	PVLKLISGAKCYEW-NXEZZACHSA-N	0	1	224.308	0.886	20	30		BCEDMN
Cc1ccnc(NCc2nn[nH]n2)c1C#N	ZINC000135189321	343964849	/nfs/dbraw/zinc/96/48/49/343964849.db2.gz	MPMUUVODOYTHST-UHFFFAOYSA-N	0	1	215.220	0.387	20	30		BCEDMN
C=CC[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000625702073	344052602	/nfs/dbraw/zinc/05/26/02/344052602.db2.gz	MVEZUZUHKBKHGD-MRVPVSSYSA-N	0	1	208.265	0.908	20	30		BCEDMN
N#CCNC(=O)c1[nH]nc2c1CCCC2	ZINC000126767626	344096371	/nfs/dbraw/zinc/09/63/71/344096371.db2.gz	RYQSXUQFPHWWFX-UHFFFAOYSA-N	0	1	204.233	0.542	20	30		BCEDMN
N#CCCCCCC(=O)NCc1c[nH]nn1	ZINC000588630353	344163653	/nfs/dbraw/zinc/16/36/53/344163653.db2.gz	FAOIJTZNPWURLR-UHFFFAOYSA-N	0	1	221.264	0.895	20	30		BCEDMN
N#Cc1ccc(C(=O)NC[C@@H]2COCCN2)cc1	ZINC000236402961	344373039	/nfs/dbraw/zinc/37/30/39/344373039.db2.gz	QRXRHBPNWIWJAR-GFCCVEGCSA-N	0	1	245.282	0.276	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCCN1CC[C@H](O)C1	ZINC000600807434	344376960	/nfs/dbraw/zinc/37/69/60/344376960.db2.gz	CTJUIMNPOOFUBZ-CMPLNLGQSA-N	0	1	239.319	0.109	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCCN1CC[C@H](O)C1	ZINC000600807435	344376981	/nfs/dbraw/zinc/37/69/81/344376981.db2.gz	CTJUIMNPOOFUBZ-JQWIXIFHSA-N	0	1	239.319	0.109	20	30		BCEDMN
N#Cc1cc(N2CCN(CC3CC3)CC2)ncn1	ZINC000380767699	344438425	/nfs/dbraw/zinc/43/84/25/344438425.db2.gz	ROJLJFFKZCIKHK-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
N#CCC(=O)N1CCN(C[C@H]2CCOC2)CC1	ZINC000408316483	344491024	/nfs/dbraw/zinc/49/10/24/344491024.db2.gz	BWNQOOAOAJSQPG-LLVKDONJSA-N	0	1	237.303	0.081	20	30		BCEDMN
C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)N(C)C	ZINC000085431535	344532404	/nfs/dbraw/zinc/53/24/04/344532404.db2.gz	CGMWNUNTABRABI-DTWKUNHWSA-N	0	1	211.309	0.991	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)C(C)C	ZINC000044822654	344549662	/nfs/dbraw/zinc/54/96/62/344549662.db2.gz	ZVEVEKHNEVNZGA-HTQZYQBOSA-N	0	1	212.249	0.460	20	30		BCEDMN
C[C@@H](C#N)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000044828247	344552007	/nfs/dbraw/zinc/55/20/07/344552007.db2.gz	LZVGJDSJBMOZJK-IUCAKERBSA-N	0	1	207.277	0.499	20	30		BCEDMN
CCCN(CC(=O)OC)C(=O)C(C)C#N	ZINC000044827227	344552093	/nfs/dbraw/zinc/55/20/93/344552093.db2.gz	SLLGNTAYYBEEFK-QMMMGPOBSA-N	0	1	212.249	0.558	20	30		BCEDMN
C[C@H](C#N)C[N@@H+](C)CC[C@@H]1CCNC1=O	ZINC000395855351	344566412	/nfs/dbraw/zinc/56/64/12/344566412.db2.gz	OSWIRTWJGORFOO-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@H](C#N)CN(C)CC[C@@H]1CCNC1=O	ZINC000395855351	344566413	/nfs/dbraw/zinc/56/64/13/344566413.db2.gz	OSWIRTWJGORFOO-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
C#CCCN1CCO[C@]2(CCCOC2)C1	ZINC000367531071	344670202	/nfs/dbraw/zinc/67/02/02/344670202.db2.gz	LOBAPIOYHKTCJP-GFCCVEGCSA-N	0	1	209.289	0.891	20	30		BCEDMN
C=C(C)CCN1CCO[C@H](CC(N)=O)C1	ZINC000626076317	344723371	/nfs/dbraw/zinc/72/33/71/344723371.db2.gz	JLSSCVYNSKBFIM-SNVBAGLBSA-N	0	1	212.293	0.529	20	30		BCEDMN
CC(=O)N1CCCN(CCCC#N)CC1	ZINC000049932678	344702970	/nfs/dbraw/zinc/70/29/70/344702970.db2.gz	UENOEYKYPCWBIR-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
CC1(C)CN(CCNCCC#N)CCO1	ZINC000562987131	323078036	/nfs/dbraw/zinc/07/80/36/323078036.db2.gz	MQHRYSWXFJFYHX-UHFFFAOYSA-N	0	1	211.309	0.600	20	30		BCEDMN
Cc1cc(C#N)nc(N(C)Cc2n[nH]c(=O)o2)n1	ZINC000425282084	192369301	/nfs/dbraw/zinc/36/93/01/192369301.db2.gz	MYFYNAUZDBWWQM-UHFFFAOYSA-N	0	1	246.230	0.382	20	30		BCEDMN
CC(C)(C#N)C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000371281368	534975619	/nfs/dbraw/zinc/97/56/19/534975619.db2.gz	VEKAHNVNGXHAIZ-QMMMGPOBSA-N	0	1	232.287	0.933	20	30		BCEDMN
CN1CCCN(C(=O)C(C)(C)C#N)CC1	ZINC000044351110	345034263	/nfs/dbraw/zinc/03/42/63/345034263.db2.gz	IMXGRGOYMYTAJD-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
C#C[C@@H](C)NCc1ccc(C(=O)OC)[nH]1	ZINC000166458434	166211450	/nfs/dbraw/zinc/21/14/50/166211450.db2.gz	UJSNLLWAMOELNA-MRVPVSSYSA-N	0	1	206.245	0.913	20	30		BCEDMN
CC#CCC[N@H+](C)CC(=O)NCCCOC	ZINC000155088304	345067122	/nfs/dbraw/zinc/06/71/22/345067122.db2.gz	UPQKXWIKPOKOEQ-UHFFFAOYSA-N	0	1	226.320	0.484	20	30		BCEDMN
CC#CCCN(C)CC(=O)NCCCOC	ZINC000155088304	345067125	/nfs/dbraw/zinc/06/71/25/345067125.db2.gz	UPQKXWIKPOKOEQ-UHFFFAOYSA-N	0	1	226.320	0.484	20	30		BCEDMN
C#C[C@@H](C)NCc1cnc2cnccn12	ZINC000289563754	166211952	/nfs/dbraw/zinc/21/19/52/166211952.db2.gz	RXVZNWVIDGFCNY-SECBINFHSA-N	0	1	200.245	0.841	20	30		BCEDMN
C#CC[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CCCC1	ZINC000091591359	345600490	/nfs/dbraw/zinc/60/04/90/345600490.db2.gz	MORJZUWDKGHIMU-UHFFFAOYSA-N	0	1	220.276	0.476	20	30		BCEDMN
C#CC[N@H+](Cc1n[nH]c(=O)[n-]1)C1CCCC1	ZINC000091591359	345600494	/nfs/dbraw/zinc/60/04/94/345600494.db2.gz	MORJZUWDKGHIMU-UHFFFAOYSA-N	0	1	220.276	0.476	20	30		BCEDMN
N#Cc1cc(CN2CC[C@H](CO)C2)ccn1	ZINC000082669278	345665273	/nfs/dbraw/zinc/66/52/73/345665273.db2.gz	MCNKMOXPHHPQPE-NSHDSACASA-N	0	1	217.272	0.767	20	30		BCEDMN
CC#CCNC(=O)CCCCc1cn[nH]n1	ZINC000139667114	345800656	/nfs/dbraw/zinc/80/06/56/345800656.db2.gz	GHIRNUQWYYXXCL-UHFFFAOYSA-N	0	1	220.276	0.657	20	30		BCEDMN
C=CC[C@H](C)NC(=O)CCCc1nn[nH]n1	ZINC000635576065	345846493	/nfs/dbraw/zinc/84/64/93/345846493.db2.gz	KPHMXVOOBUNPEH-QMMMGPOBSA-N	0	1	223.280	0.603	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCCN1C	ZINC000635764712	346057353	/nfs/dbraw/zinc/05/73/53/346057353.db2.gz	AUFOADIZAWXMGU-NEPJUHHUSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C(C)CNC(=O)CCCc1nn[n-]n1	ZINC000635819353	346080680	/nfs/dbraw/zinc/08/06/80/346080680.db2.gz	BUWAEIWIZCFXFN-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
C=C(C)CNC(=O)CCCc1nn[nH]n1	ZINC000635819353	346080682	/nfs/dbraw/zinc/08/06/82/346080682.db2.gz	BUWAEIWIZCFXFN-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
CC#CCCNC(=O)CCCc1nn[nH]n1	ZINC000635776906	346062343	/nfs/dbraw/zinc/06/23/43/346062343.db2.gz	ASCHAEJIVBCDPV-UHFFFAOYSA-N	0	1	221.264	0.052	20	30		BCEDMN
CNC(=O)C1CN(CCC(C)(C)C#N)C1	ZINC000332028173	346171264	/nfs/dbraw/zinc/17/12/64/346171264.db2.gz	JEYSDQIHZMSOEY-UHFFFAOYSA-N	0	1	209.293	0.604	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000636005063	346147366	/nfs/dbraw/zinc/14/73/66/346147366.db2.gz	AXIYPQBYKHSUNU-GMTAPVOTSA-N	0	1	249.314	0.957	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000636005064	346147501	/nfs/dbraw/zinc/14/75/01/346147501.db2.gz	AXIYPQBYKHSUNU-HBNTYKKESA-N	0	1	249.314	0.957	20	30		BCEDMN
C=CC[C@H](CO)NCc1cc(C)n(C)n1	ZINC000641752871	362678037	/nfs/dbraw/zinc/67/80/37/362678037.db2.gz	RMBYLDATZUAYGL-SNVBAGLBSA-N	0	1	209.293	0.755	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000636111605	346321640	/nfs/dbraw/zinc/32/16/40/346321640.db2.gz	NFZRLAFSPYWNOC-RYUDHWBXSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000636251992	346369408	/nfs/dbraw/zinc/36/94/08/346369408.db2.gz	PXPZRBLUOUVGNU-JTQLQIEISA-N	0	1	249.318	0.947	20	30		BCEDMN
C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000563548829	323129860	/nfs/dbraw/zinc/12/98/60/323129860.db2.gz	OGKJHLPEWSFZCE-ZETCQYMHSA-N	0	1	243.288	0.167	20	30		BCEDMN
N#Cc1cc(O)cc(C(=O)NCc2c[nH]nn2)c1	ZINC000589188937	346671846	/nfs/dbraw/zinc/67/18/46/346671846.db2.gz	RAIWTIVBJQGGLQ-UHFFFAOYSA-N	0	1	243.226	0.312	20	30		BCEDMN
C[C@@H](O)CN(C)Cc1ccc(C#N)cn1	ZINC000582070716	347169546	/nfs/dbraw/zinc/16/95/46/347169546.db2.gz	VOOCQQLMNUUEBU-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C#C[C@@H](C)N(C)CCN1C(=O)CCC1=O	ZINC000491783390	347191521	/nfs/dbraw/zinc/19/15/21/347191521.db2.gz	QZVKZFFZYZODEE-SECBINFHSA-N	0	1	208.261	0.089	20	30		BCEDMN
C[N@@H+](C[C@@H](O)CN1CCC(C#N)CC1)C1CC1	ZINC000310504334	347290573	/nfs/dbraw/zinc/29/05/73/347290573.db2.gz	NNJUGHYFAZYSTC-CYBMUJFWSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCCN(C)CC(=O)NC[C@H]1CCCO1	ZINC000276382944	166257145	/nfs/dbraw/zinc/25/71/45/166257145.db2.gz	IIVGHUZNFOHPRZ-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
CC(C)CN(CC(N)=O)Cc1cc(C#N)n(C)c1	ZINC000191242838	347346609	/nfs/dbraw/zinc/34/66/09/347346609.db2.gz	DKDDURYISOKNCC-UHFFFAOYSA-N	0	1	248.330	0.840	20	30		BCEDMN
CN(C)C1CN(C(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000601392190	347302872	/nfs/dbraw/zinc/30/28/72/347302872.db2.gz	WTASVIWVPLGWID-UHFFFAOYSA-N	0	1	233.315	0.843	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ncc[nH]2)C1	ZINC000601447092	347363004	/nfs/dbraw/zinc/36/30/04/347363004.db2.gz	HEDQIROYGKXNNI-JGVFFNPUSA-N	0	1	240.288	0.380	20	30		BCEDMN
CN(C)C1(CNS(=O)(=O)CCCC#N)CC1	ZINC000601449133	347368207	/nfs/dbraw/zinc/36/82/07/347368207.db2.gz	STHMNUIWFIXSNJ-UHFFFAOYSA-N	0	1	245.348	0.304	20	30		BCEDMN
N#CC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1	ZINC000590489888	347391425	/nfs/dbraw/zinc/39/14/25/347391425.db2.gz	XXQHHQVIJVGZSR-UHFFFAOYSA-N	0	1	247.210	0.896	20	30		BCEDMN
C=CCn1cc(C(=O)N(C)Cc2cnc[nH]2)nn1	ZINC000616921542	347451132	/nfs/dbraw/zinc/45/11/32/347451132.db2.gz	UUXCDHARRXQZOI-UHFFFAOYSA-N	0	1	246.274	0.459	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@]1(N(C)C)CCCSC1	ZINC000364415816	347418721	/nfs/dbraw/zinc/41/87/21/347418721.db2.gz	DWEYMFOXMUUWOI-CMPLNLGQSA-N	0	1	240.372	0.952	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2nccc(C#N)n2)CC[N@@H+]1C	ZINC000590696030	347492771	/nfs/dbraw/zinc/49/27/71/347492771.db2.gz	ISAWHNKYPIKGQA-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2nccc(C#N)n2)CCN1C	ZINC000590696030	347492774	/nfs/dbraw/zinc/49/27/74/347492774.db2.gz	ISAWHNKYPIKGQA-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N(C)Cc1cnc[nH]1	ZINC000616927291	347460554	/nfs/dbraw/zinc/46/05/54/347460554.db2.gz	DUGNDMKCWUUMJN-LLVKDONJSA-N	0	1	223.276	0.695	20	30		BCEDMN
N#CCN(C1CC1)S(=O)(=O)c1ncc[nH]1	ZINC000590591786	347477779	/nfs/dbraw/zinc/47/77/79/347477779.db2.gz	VOWKUXWTWFWUCM-UHFFFAOYSA-N	0	1	226.261	0.086	20	30		BCEDMN
Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000590632002	347481922	/nfs/dbraw/zinc/48/19/22/347481922.db2.gz	PMOCSJKKQCWDBA-SNVBAGLBSA-N	0	1	246.314	0.721	20	30		BCEDMN
Cn1c(C#N)ccc1C(=O)N[C@@H]1CCCN(C)C1	ZINC000590632002	347481926	/nfs/dbraw/zinc/48/19/26/347481926.db2.gz	PMOCSJKKQCWDBA-SNVBAGLBSA-N	0	1	246.314	0.721	20	30		BCEDMN
C[C@H]1C[C@@]1(C#N)C(=O)NCCN1CC=CCC1	ZINC000590751166	347503778	/nfs/dbraw/zinc/50/37/78/347503778.db2.gz	NXDVGHUEMHUALU-AAEUAGOBSA-N	0	1	233.315	0.914	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1CCCCC1	ZINC000024223425	347604851	/nfs/dbraw/zinc/60/48/51/347604851.db2.gz	FTHVYBVWGYDWQP-JTQLQIEISA-N	0	1	239.319	0.873	20	30		BCEDMN
C=CCCN1CC[C@H](S(C)(=O)=O)C1	ZINC000308297632	166265386	/nfs/dbraw/zinc/26/53/86/166265386.db2.gz	IXBRRYRIRHANHE-VIFPVBQESA-N	0	1	203.307	0.681	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000491072755	362848043	/nfs/dbraw/zinc/84/80/43/362848043.db2.gz	VOKONJAUQJEQDY-NSHDSACASA-N	0	1	237.347	0.150	20	30		BCEDMN
CC(C)OC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759375	347691819	/nfs/dbraw/zinc/69/18/19/347691819.db2.gz	KQNNLLWEHHAFSL-JTQLQIEISA-N	0	1	214.309	0.912	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@](O)(CC#N)C1	ZINC000592150613	347741853	/nfs/dbraw/zinc/74/18/53/347741853.db2.gz	FBUOESLIQKJQQT-WDEREUQCSA-N	0	1	210.277	0.274	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCc2cccnc2)C1	ZINC000592150214	347741910	/nfs/dbraw/zinc/74/19/10/347741910.db2.gz	BAEGZNUEAYVXPV-ZDUSSCGKSA-N	0	1	231.299	0.975	20	30		BCEDMN
Cc1nc([C@H](C)N2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000592155319	347745518	/nfs/dbraw/zinc/74/55/18/347745518.db2.gz	ZTUDZKFCIYVIRP-KWQFWETISA-N	0	1	235.291	0.525	20	30		BCEDMN
CCc1cc(C(=O)N2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000592838947	347820698	/nfs/dbraw/zinc/82/06/98/347820698.db2.gz	MWAXJEFYKGJVKD-LBPRGKRZSA-N	0	1	248.286	0.463	20	30		BCEDMN
C[C@@H](CCC#N)N[C@H](CO)c1ccnn1C	ZINC000593033099	347842413	/nfs/dbraw/zinc/84/24/13/347842413.db2.gz	ILHZGXZKDOZNIY-VHSXEESVSA-N	0	1	222.292	0.735	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)[C@H](C)CCO	ZINC000593110381	347861115	/nfs/dbraw/zinc/86/11/15/347861115.db2.gz	WIVUAYNOYMAJGB-LLVKDONJSA-N	0	1	241.335	0.451	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@H]1CCN(CCOC)C1	ZINC000593457699	347899219	/nfs/dbraw/zinc/89/92/19/347899219.db2.gz	IEFDUJZNWZDGHJ-MNOVXSKESA-N	0	1	239.319	0.373	20	30		BCEDMN
N#CCCC1CCN([C@@H]2CC(=O)NC2=O)CC1	ZINC000593920028	347963165	/nfs/dbraw/zinc/96/31/65/347963165.db2.gz	HMOOCHXQENPYMN-SNVBAGLBSA-N	0	1	235.287	0.417	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN1CC[C@@H](C)C1	ZINC000577409305	365947860	/nfs/dbraw/zinc/94/78/60/365947860.db2.gz	UYGIBSHRTMGTAC-NXEZZACHSA-N	0	1	209.293	0.604	20	30		BCEDMN
COC(=O)[C@H](CCF)NC(=O)C(C)C#N	ZINC000593800734	347948549	/nfs/dbraw/zinc/94/85/49/347948549.db2.gz	IVIQQOUIUYXZHT-RQJHMYQMSA-N	0	1	216.212	0.163	20	30		BCEDMN
CCOC(=O)COCCN[C@H](CC)CC#N	ZINC000594008713	347985081	/nfs/dbraw/zinc/98/50/81/347985081.db2.gz	ZPPSKQQPMPWUQQ-SNVBAGLBSA-N	0	1	228.292	0.848	20	30		BCEDMN
CO[C@H](CN[C@@H](C)CC#N)[C@@H]1CCOC1	ZINC000594710462	348104422	/nfs/dbraw/zinc/10/44/22/348104422.db2.gz	LGGHOBGSUXWEOR-HBNTYKKESA-N	0	1	212.293	0.930	20	30		BCEDMN
CN(CCC#N)C[C@H](O)CN1CC(CC#N)C1	ZINC000594716866	348106325	/nfs/dbraw/zinc/10/63/25/348106325.db2.gz	YJBDEHYDCAKMOJ-LBPRGKRZSA-N	0	1	236.319	0.038	20	30		BCEDMN
C[C@H](C#N)CNS(=O)(=O)c1ccccc1O	ZINC000594756033	348111438	/nfs/dbraw/zinc/11/14/38/348111438.db2.gz	AAIXQWUBHRTBKM-MRVPVSSYSA-N	0	1	240.284	0.830	20	30		BCEDMN
N#CC1CN(S(=O)(=O)c2ccccc2O)C1	ZINC000594776423	348114344	/nfs/dbraw/zinc/11/43/44/348114344.db2.gz	AWPKOANGMQHWIX-UHFFFAOYSA-N	0	1	238.268	0.536	20	30		BCEDMN
CCN(CCc1c[nH]nn1)C[C@H](C)C#N	ZINC000595299247	348217768	/nfs/dbraw/zinc/21/77/68/348217768.db2.gz	XWHJKECMEVZOKA-SECBINFHSA-N	0	1	207.281	0.829	20	30		BCEDMN
C[C@H](O)C[N@@H+](CCO)CCc1ccc(C#N)cc1	ZINC000595489009	348261538	/nfs/dbraw/zinc/26/15/38/348261538.db2.gz	IZEWALAEHJUNKZ-LBPRGKRZSA-N	0	1	248.326	0.776	20	30		BCEDMN
C[C@H](CCC#N)[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000595548389	348268683	/nfs/dbraw/zinc/26/86/83/348268683.db2.gz	XMUKWONQHIDUNR-SSDOTTSWSA-N	0	1	210.237	0.899	20	30		BCEDMN
C[C@H](CCC#N)[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000595548389	348268684	/nfs/dbraw/zinc/26/86/84/348268684.db2.gz	XMUKWONQHIDUNR-SSDOTTSWSA-N	0	1	210.237	0.899	20	30		BCEDMN
C=C[C@H](C(=O)OC)N(C)Cc1cnc[nH]1	ZINC000595591109	348277666	/nfs/dbraw/zinc/27/76/66/348277666.db2.gz	DFKUUJXRYIJVNA-SECBINFHSA-N	0	1	209.249	0.569	20	30		BCEDMN
N#CC1(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000595607236	348286784	/nfs/dbraw/zinc/28/67/84/348286784.db2.gz	JNZBTHNFYARFQK-NSHDSACASA-N	0	1	231.303	0.904	20	30		BCEDMN
C[C@@H](C#N)N(CCc1c[nH]nn1)C1CC1	ZINC000595709697	348321618	/nfs/dbraw/zinc/32/16/18/348321618.db2.gz	ITNPIQGPBULWBK-QMMMGPOBSA-N	0	1	205.265	0.724	20	30		BCEDMN
C[C@H]1CCCN(CC(=O)NCC#N)[C@H]1CCO	ZINC000595706058	348308649	/nfs/dbraw/zinc/30/86/49/348308649.db2.gz	XDSXFWOGCZDTEK-QWRGUYRKSA-N	0	1	239.319	0.109	20	30		BCEDMN
Cc1nc(CN2CC[C@](C)(C#N)C2)n[nH]1	ZINC000595841357	348375952	/nfs/dbraw/zinc/37/59/52/348375952.db2.gz	KPOWOLBCDNXWLH-SNVBAGLBSA-N	0	1	205.265	0.849	20	30		BCEDMN
Cc1nc(CN2CC[C@@](C)(C#N)C2)n[nH]1	ZINC000595841355	348376358	/nfs/dbraw/zinc/37/63/58/348376358.db2.gz	KPOWOLBCDNXWLH-JTQLQIEISA-N	0	1	205.265	0.849	20	30		BCEDMN
C[C@@]1(C#N)CCN(C[C@@]2(O)CCCOC2)C1	ZINC000595842128	348376666	/nfs/dbraw/zinc/37/66/66/348376666.db2.gz	PREDTKOAGIFYJP-RYUDHWBXSA-N	0	1	224.304	0.763	20	30		BCEDMN
C[C@@]1(C#N)CCN(CCc2c[nH]nn2)C1	ZINC000595841906	348377285	/nfs/dbraw/zinc/37/72/85/348377285.db2.gz	PKURIYHOFGSXHH-JTQLQIEISA-N	0	1	205.265	0.583	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000669012577	490166124	/nfs/dbraw/zinc/16/61/24/490166124.db2.gz	GIOAAFWYVLRNLV-WDEREUQCSA-N	0	1	226.320	0.332	20	30		BCEDMN
C[C@@]1(C#N)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1	ZINC000595904978	348396209	/nfs/dbraw/zinc/39/62/09/348396209.db2.gz	NLWVMYLXCYYZKJ-NEPJUHHUSA-N	0	1	235.331	0.743	20	30		BCEDMN
CN(CC1CN(C)C1)c1cncc(C#N)n1	ZINC000596452080	348551859	/nfs/dbraw/zinc/55/18/59/348551859.db2.gz	BKGDKGAGDWIFRB-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
COCc1nc(CNc2ccncc2C#N)n[nH]1	ZINC000596435750	348546225	/nfs/dbraw/zinc/54/62/25/348546225.db2.gz	HYMJBZCORRSARP-UHFFFAOYSA-N	0	1	244.258	0.252	20	30		BCEDMN
CN(CC1CN(C)C1)c1cc(C#N)ccn1	ZINC000596452448	348551600	/nfs/dbraw/zinc/55/16/00/348551600.db2.gz	DMJQBXVFMKXGEZ-UHFFFAOYSA-N	0	1	216.288	0.951	20	30		BCEDMN
N#CC1(CNC(=O)NCCCc2nc[nH]n2)CC1	ZINC000596588083	348593439	/nfs/dbraw/zinc/59/34/39/348593439.db2.gz	SZLLLRNWRHYICU-UHFFFAOYSA-N	0	1	248.290	0.340	20	30		BCEDMN
COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H](C)C#N	ZINC000597084382	348655460	/nfs/dbraw/zinc/65/54/60/348655460.db2.gz	YZEUUKFVWKPSGB-ZYUZMQFOSA-N	0	1	210.277	0.933	20	30		BCEDMN
CN(C)C1(C(=O)NCCCCC#N)CC1	ZINC000597150750	348665472	/nfs/dbraw/zinc/66/54/72/348665472.db2.gz	WXJNYFUKEXSTKP-UHFFFAOYSA-N	0	1	209.293	0.891	20	30		BCEDMN
N#CC1(NC(=O)[C@H]2CCCc3n[nH]nc32)CCC1	ZINC000596948468	348639079	/nfs/dbraw/zinc/63/90/79/348639079.db2.gz	IHNKODJLWAUZHX-QMMMGPOBSA-N	0	1	245.286	0.787	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@H](C)CC#N)c1nn[nH]n1	ZINC000597360761	348723228	/nfs/dbraw/zinc/72/32/28/348723228.db2.gz	LMCGZQDASOEZDN-HTQZYQBOSA-N	0	1	236.279	0.707	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000597200890	348675100	/nfs/dbraw/zinc/67/51/00/348675100.db2.gz	JYFODANGBWFUGR-BDAKNGLRSA-N	0	1	232.287	0.790	20	30		BCEDMN
C[C@H](CC#N)C(=O)NCCCc1nc[nH]n1	ZINC000597610797	348770113	/nfs/dbraw/zinc/77/01/13/348770113.db2.gz	PPEHOQKVGLOXKF-MRVPVSSYSA-N	0	1	221.264	0.403	20	30		BCEDMN
C[C@@H](CC#N)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000597712508	348788895	/nfs/dbraw/zinc/78/88/95/348788895.db2.gz	IRTICXFXXRVBIC-ZETCQYMHSA-N	0	1	233.275	0.848	20	30		BCEDMN
C[C@H](CC#N)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000597712506	348789009	/nfs/dbraw/zinc/78/90/09/348789009.db2.gz	IRTICXFXXRVBIC-SSDOTTSWSA-N	0	1	233.275	0.848	20	30		BCEDMN
C#CCN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000264305964	192373431	/nfs/dbraw/zinc/37/34/31/192373431.db2.gz	XKHQGLSRMZAXAF-OAHLLOKOSA-N	0	1	244.338	0.971	20	30		BCEDMN
N#C[C@@H](CO)NC(=O)Cc1[nH]nc2ccccc21	ZINC000597744941	348809858	/nfs/dbraw/zinc/80/98/58/348809858.db2.gz	ZSKTVSMVZRXHNV-QMMMGPOBSA-N	0	1	244.254	0.106	20	30		BCEDMN
C[C@H](C#N)N(C(=O)[C@@H]1CCCN1C)C1CC1	ZINC000598128688	348894203	/nfs/dbraw/zinc/89/42/03/348894203.db2.gz	OGWNFDOBQVZSED-KOLCDFICSA-N	0	1	221.304	0.984	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)C1(C#N)CCC1	ZINC000598164765	348907620	/nfs/dbraw/zinc/90/76/20/348907620.db2.gz	WBQRVGQJFSFOGB-UHFFFAOYSA-N	0	1	221.304	0.700	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)c2ccn[nH]2)C1	ZINC000598409281	348965434	/nfs/dbraw/zinc/96/54/34/348965434.db2.gz	HCLMDKDZZRMXHQ-SNVBAGLBSA-N	0	1	204.233	0.785	20	30		BCEDMN
Cc1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1C#N	ZINC000599304754	349141904	/nfs/dbraw/zinc/14/19/04/349141904.db2.gz	OEQGGUXYQYPKTF-OKILXGFUSA-N	0	1	246.310	0.794	20	30		BCEDMN
Cc1ccc(CN2C[C@H](O)[C@H](CO)C2)cc1C#N	ZINC000599438574	349178084	/nfs/dbraw/zinc/17/80/84/349178084.db2.gz	PCIZNAYLLVAATH-KBPBESRZSA-N	0	1	246.310	0.652	20	30		BCEDMN
C[C@]12CCCC[C@H]1CN2CC(=O)NCC#N	ZINC000599675607	349242099	/nfs/dbraw/zinc/24/20/99/349242099.db2.gz	SJLHSMVYEKUTLA-JQWIXIFHSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCCCC[N@H+]1CCO[C@@H](CC(N)=O)C1	ZINC000599664455	349247356	/nfs/dbraw/zinc/24/73/56/349247356.db2.gz	NTBSWVSBXSYHKK-JTQLQIEISA-N	0	1	225.292	0.256	20	30		BCEDMN
N#CCCCCN1CCO[C@@H](CC(N)=O)C1	ZINC000599664455	349247357	/nfs/dbraw/zinc/24/73/57/349247357.db2.gz	NTBSWVSBXSYHKK-JTQLQIEISA-N	0	1	225.292	0.256	20	30		BCEDMN
N#CCC1(CNC(=O)CCc2c[nH]nn2)CC1	ZINC000601544955	349300770	/nfs/dbraw/zinc/30/07/70/349300770.db2.gz	MFUVRBJMZBXUOL-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
N#CCC1(CNC(=O)CCc2cnn[nH]2)CC1	ZINC000601544955	349300773	/nfs/dbraw/zinc/30/07/73/349300773.db2.gz	MFUVRBJMZBXUOL-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
CN(C(=O)CCc1c[nH]nn1)[C@H]1CCC[C@@H]1C#N	ZINC000601801729	349340559	/nfs/dbraw/zinc/34/05/59/349340559.db2.gz	PXYLXAZMLGUQEX-KOLCDFICSA-N	0	1	247.302	0.888	20	30		BCEDMN
CN(C(=O)CCc1cnn[nH]1)[C@H]1CCC[C@@H]1C#N	ZINC000601801729	349340564	/nfs/dbraw/zinc/34/05/64/349340564.db2.gz	PXYLXAZMLGUQEX-KOLCDFICSA-N	0	1	247.302	0.888	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)c1cnn[nH]1)C(=O)OC	ZINC000601787601	349343730	/nfs/dbraw/zinc/34/37/30/349343730.db2.gz	ZUQAVNSZZFMTFD-SSDOTTSWSA-N	0	1	238.247	0.042	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000601786536	349343934	/nfs/dbraw/zinc/34/39/34/349343934.db2.gz	RKLDZUHFHLGJLR-BDAKNGLRSA-N	0	1	224.260	0.770	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)Cc2ncn[nH]2)C1	ZINC000601673165	349319431	/nfs/dbraw/zinc/31/94/31/349319431.db2.gz	XJEKCYXYXDSJFL-SNVBAGLBSA-N	0	1	219.248	0.109	20	30		BCEDMN
C[C@H](C#N)N(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000601665417	349321444	/nfs/dbraw/zinc/32/14/44/349321444.db2.gz	DRUAPINRTUTPDC-MRVPVSSYSA-N	0	1	233.275	0.640	20	30		BCEDMN
C[C@H](C#N)N(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000601665417	349321445	/nfs/dbraw/zinc/32/14/45/349321445.db2.gz	DRUAPINRTUTPDC-MRVPVSSYSA-N	0	1	233.275	0.640	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)CCc1nn[nH]n1)C1CC1	ZINC000601667931	349322259	/nfs/dbraw/zinc/32/22/59/349322259.db2.gz	YRXTZQAGVCASAP-ZETCQYMHSA-N	0	1	234.263	0.035	20	30		BCEDMN
CC(=O)N[C@@H]1C(C)=NN([C@@H](C)CC#N)C1=O	ZINC000601934743	349388938	/nfs/dbraw/zinc/38/89/38/349388938.db2.gz	DVXSMNAPIHLWBU-IMTBSYHQSA-N	0	1	222.248	0.011	20	30		BCEDMN
COCCc1cc(=O)n(C[C@@H](C)C#N)[nH]1	ZINC000601935050	349388953	/nfs/dbraw/zinc/38/89/53/349388953.db2.gz	OXNJXMUMJGQCQX-QMMMGPOBSA-N	0	1	209.249	0.771	20	30		BCEDMN
C[C@@H](C#N)Cn1[nH]c([C@H]2CCOC2)cc1=O	ZINC000601935392	349389935	/nfs/dbraw/zinc/38/99/35/349389935.db2.gz	TVPNNZTZJDBNNN-IUCAKERBSA-N	0	1	221.260	0.771	20	30		BCEDMN
COC(=O)Cc1cc(=O)n([C@@H](C)CC#N)[nH]1	ZINC000601935988	349390268	/nfs/dbraw/zinc/39/02/68/349390268.db2.gz	NJRFGWJDVXOFDU-ZETCQYMHSA-N	0	1	223.232	0.440	20	30		BCEDMN
C=C(C)Cn1[nH]cc(CC(=O)OC)c1=O	ZINC000601941667	349393399	/nfs/dbraw/zinc/39/33/99/349393399.db2.gz	ZBQFOXYKOSYYBE-MRVPVSSYSA-N	0	1	210.233	0.570	20	30		BCEDMN
C[C@](O)(C[C@H](O)CNCC1(C#N)CC1)C1CC1	ZINC000601967645	349404928	/nfs/dbraw/zinc/40/49/28/349404928.db2.gz	VRQDTVLXQAQSEY-RYUDHWBXSA-N	0	1	238.331	0.792	20	30		BCEDMN
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C=CCCN(C)[C@H]1CCS(=O)(=O)C1	ZINC000132368141	191030666	/nfs/dbraw/zinc/03/06/66/191030666.db2.gz	HAOVZJBJLXFWEU-VIFPVBQESA-N	0	1	203.307	0.681	20	30		BCEDMN
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CN(CCC#N)CCCN1CC[NH+](C)CC1	ZINC000336684848	350446201	/nfs/dbraw/zinc/44/62/01/350446201.db2.gz	VDOOZRNRVXEVKG-UHFFFAOYSA-N	0	1	224.352	0.469	20	30		BCEDMN
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C#C[C@@H](NCc1cnnn1C)C(C)(C)C	ZINC000290178524	350928623	/nfs/dbraw/zinc/92/86/23/350928623.db2.gz	NNTMCAOHJKVLFY-SNVBAGLBSA-N	0	1	206.293	0.953	20	30		BCEDMN
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C=CCCNC(=O)c1cnc(CN)nc1	ZINC000638405955	352213874	/nfs/dbraw/zinc/21/38/74/352213874.db2.gz	HOJAORKXCZYULN-UHFFFAOYSA-N	0	1	206.249	0.241	20	30		BCEDMN
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C#CC[N@H+](C)C[C@@H](O)COCCOC(C)C	ZINC000078601917	188086246	/nfs/dbraw/zinc/08/62/46/188086246.db2.gz	CSKINEDROSFQDH-GFCCVEGCSA-N	0	1	229.320	0.354	20	30		BCEDMN
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C=CCOCCC[N@@H+]1C[C@H](F)C[C@@H]1CO	ZINC000346358911	354889561	/nfs/dbraw/zinc/88/95/61/354889561.db2.gz	LCWDCJJXJAYXJV-GHMZBOCLSA-N	0	1	217.284	0.984	20	30		BCEDMN
C=CCOCCCN1C[C@H](F)C[C@@H]1CO	ZINC000346358911	354889566	/nfs/dbraw/zinc/88/95/66/354889566.db2.gz	LCWDCJJXJAYXJV-GHMZBOCLSA-N	0	1	217.284	0.984	20	30		BCEDMN
C=CCCCN(C)C(=O)NC[C@H]1COCCN1	ZINC000627185483	363440226	/nfs/dbraw/zinc/44/02/26/363440226.db2.gz	GIONIEKRKJKAMD-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C=C(C)CN1CCC(CS(N)(=O)=O)CC1	ZINC000104064982	355369147	/nfs/dbraw/zinc/36/91/47/355369147.db2.gz	NCLFXRHMIPFOCX-UHFFFAOYSA-N	0	1	232.349	0.563	20	30		BCEDMN
C=CCn1cc(CNC[C@@H](OC)C2CC2)nn1	ZINC000639273422	355346063	/nfs/dbraw/zinc/34/60/63/355346063.db2.gz	DOKNLZMJNBDPDZ-GFCCVEGCSA-N	0	1	236.319	0.979	20	30		BCEDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)C#N	ZINC000335870765	355637121	/nfs/dbraw/zinc/63/71/21/355637121.db2.gz	BHHMNIGTTZNMHF-MNOVXSKESA-N	0	1	223.320	0.945	20	30		BCEDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)C#N	ZINC000335870766	355637175	/nfs/dbraw/zinc/63/71/75/355637175.db2.gz	BHHMNIGTTZNMHF-QWRGUYRKSA-N	0	1	223.320	0.945	20	30		BCEDMN
C=CCNC(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000106511927	355777498	/nfs/dbraw/zinc/77/74/98/355777498.db2.gz	XBOCUKZIZXVMJQ-NSHDSACASA-N	0	1	240.351	0.108	20	30		BCEDMN
C=CCOCC[N@H+](CCOC)CC(=O)[O-]	ZINC000385869166	355830014	/nfs/dbraw/zinc/83/00/14/355830014.db2.gz	YSITWXFJFCWTNS-UHFFFAOYSA-N	0	1	217.265	0.222	20	30		BCEDMN
Cc1nnc(CCNC(=O)[C@H]2CCCN2C)[nH]1	ZINC000329105486	355896048	/nfs/dbraw/zinc/89/60/48/355896048.db2.gz	OKWYXWBYGKRDHK-SECBINFHSA-N	0	1	237.307	0.706	20	30		BCEDMN
C=C(CC)C[N@@H+](CCOC)CC(=O)[O-]	ZINC000085060033	355974247	/nfs/dbraw/zinc/97/42/47/355974247.db2.gz	XIVHQELINHGOFV-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000336102846	134083882	/nfs/dbraw/zinc/08/38/82/134083882.db2.gz	GCXLGTPGYUJTSC-WPRPVWTQSA-N	0	1	207.277	0.641	20	30		BCEDMN
C=CCCNC(=O)[C@@H](C)CN1CCOCC1	ZINC000617616925	356192517	/nfs/dbraw/zinc/19/25/17/356192517.db2.gz	NIZRUIYGHIGEOC-NSHDSACASA-N	0	1	226.320	0.647	20	30		BCEDMN
O=C(N[C@@H]1CCn2ccnc2C1)N1CC(F)C1	ZINC000330275009	356196615	/nfs/dbraw/zinc/19/66/15/356196615.db2.gz	KYPKWGBPHLEEFR-SECBINFHSA-N	0	1	238.266	0.766	20	30		BCEDMN
CC[C@H](CO)N1CCN(CC2(C#N)CC2)CC1	ZINC000331366197	356199116	/nfs/dbraw/zinc/19/91/16/356199116.db2.gz	CZGRFRLGYWYCDP-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
CC1(C)CCN(CC(=O)NCC#N)CC1	ZINC000336507647	356382877	/nfs/dbraw/zinc/38/28/77/356382877.db2.gz	COJKQKLPPJGLLP-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C=CCCS(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F	ZINC000420458244	192243263	/nfs/dbraw/zinc/24/32/63/192243263.db2.gz	ITJDZUALDNVIFC-ZETCQYMHSA-N	0	1	242.291	0.464	20	30		BCEDMN
CNC(=O)C(C)(C)CNC[C@H](C#N)CCC#N	ZINC000578112876	366267443	/nfs/dbraw/zinc/26/74/43/366267443.db2.gz	SXKXRFJJJDYBFV-JTQLQIEISA-N	0	1	236.319	0.792	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCCN1CC=C(C)CC1	ZINC000613523364	363473597	/nfs/dbraw/zinc/47/35/97/363473597.db2.gz	FUGOWUOFUGBGFR-ZDUSSCGKSA-N	0	1	238.331	0.692	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)N1CC(N(C)C)C1	ZINC000336203315	134131290	/nfs/dbraw/zinc/13/12/90/134131290.db2.gz	WUZLAIRPWOVROO-UHFFFAOYSA-N	0	1	232.287	0.581	20	30		BCEDMN
N#CCC1(CN2CCC[C@H]2C(N)=O)CC1	ZINC000088259267	356646547	/nfs/dbraw/zinc/64/65/47/356646547.db2.gz	GJWWLQYOODWIQM-VIFPVBQESA-N	0	1	207.277	0.630	20	30		BCEDMN
CN1CCN(CCNc2ccncc2C#N)CC1	ZINC000399405167	356663269	/nfs/dbraw/zinc/66/32/69/356663269.db2.gz	XQJQDRZBKDSQGH-UHFFFAOYSA-N	0	1	245.330	0.034	20	30		BCEDMN
CN(CC(=O)NCC#N)C[C@@H]1CCCC[C@@H]1O	ZINC000305815096	134160788	/nfs/dbraw/zinc/16/07/88/134160788.db2.gz	OABJLSMXWXRKCP-QWRGUYRKSA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CCCN1CCN(C[C@@H]2CCCO2)CC1	ZINC000049819504	356698371	/nfs/dbraw/zinc/69/83/71/356698371.db2.gz	BLOLESFQIFOEBH-LBPRGKRZSA-N	0	1	223.320	0.697	20	30		BCEDMN
N#Cc1ccnc(NCCN2CCC2)n1	ZINC000450409546	202158697	/nfs/dbraw/zinc/15/86/97/202158697.db2.gz	UVWFAGMVBHOBOX-UHFFFAOYSA-N	0	1	203.249	0.466	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCO	ZINC000355443177	134173460	/nfs/dbraw/zinc/17/34/60/134173460.db2.gz	LJXXCVNABUAWQQ-PWSUYJOCSA-N	0	1	241.335	0.353	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C	ZINC000355508227	134173541	/nfs/dbraw/zinc/17/35/41/134173541.db2.gz	KBJPANLWRKIVOX-LOWVWBTDSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C	ZINC000355508273	134173560	/nfs/dbraw/zinc/17/35/60/134173560.db2.gz	KQKCZGRWCWTWID-GVXVVHGQSA-N	0	1	240.347	0.865	20	30		BCEDMN
CO[C@@H]1COC[C@H]1NCc1cc(C#N)n(C)c1	ZINC000582359915	357104163	/nfs/dbraw/zinc/10/41/63/357104163.db2.gz	PPFOLNMZGMINGP-VXGBXAGGSA-N	0	1	235.287	0.400	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CCc1cnc[nH]1	ZINC000355625532	538798918	/nfs/dbraw/zinc/79/89/18/538798918.db2.gz	ZLEPZMJAPSFATH-JTQLQIEISA-N	0	1	237.303	0.643	20	30		BCEDMN
N#Cc1ccc(OCC(=O)N2CCNCC2)cc1	ZINC000035411644	357230492	/nfs/dbraw/zinc/23/04/92/357230492.db2.gz	QZEWZJBSWIIPFE-UHFFFAOYSA-N	0	1	245.282	0.369	20	30		BCEDMN
CC(C)(CNC[C@@H](C#N)CCC#N)OCCO	ZINC000583693907	357183125	/nfs/dbraw/zinc/18/31/25/357183125.db2.gz	PIWXZUBDROHGIW-LLVKDONJSA-N	0	1	239.319	0.807	20	30		BCEDMN
C[S@@](=O)C1(CNCCC#N)CCC1	ZINC000393698487	357293380	/nfs/dbraw/zinc/29/33/80/357293380.db2.gz	SJNGXMWTGPUKNG-CYBMUJFWSA-N	0	1	200.307	0.791	20	30		BCEDMN
N#CCC[C@H](C#N)CN[C@H]1[C@@H]2COC[C@@H]21	ZINC000582721696	357371443	/nfs/dbraw/zinc/37/14/43/357371443.db2.gz	YRLOUWNBTAKWBH-ZNSHCXBVSA-N	0	1	205.261	0.664	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC000583154132	357496845	/nfs/dbraw/zinc/49/68/45/357496845.db2.gz	UQRRUQLIVMMLFB-NWDGAFQWSA-N	0	1	240.347	0.629	20	30		BCEDMN
C=CCN(CCOC)[C@H]1CCCCNC1=O	ZINC000189422527	357640978	/nfs/dbraw/zinc/64/09/78/357640978.db2.gz	ROACVKAQXYTMRG-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCCN1CC[C@@H](CS(C)(=O)=O)C1	ZINC000367872529	134216484	/nfs/dbraw/zinc/21/64/84/134216484.db2.gz	GRBLANZXNRACMQ-SNVBAGLBSA-N	0	1	217.334	0.929	20	30		BCEDMN
C[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1CO	ZINC000190855888	357727652	/nfs/dbraw/zinc/72/76/52/357727652.db2.gz	FPUAYTCQANULEY-UTUOFQBUSA-N	0	1	221.304	0.990	20	30		BCEDMN
C[C@@H]1CN(CCN2CCC(C#N)CC2)CCO1	ZINC000191465756	357772100	/nfs/dbraw/zinc/77/21/00/357772100.db2.gz	RZUXFQITUNUOHJ-GFCCVEGCSA-N	0	1	237.347	0.943	20	30		BCEDMN
C[C@H](CC#N)NC(=O)c1ccc2[nH]nnc2c1	ZINC000064346354	357815012	/nfs/dbraw/zinc/81/50/12/357815012.db2.gz	DUDBFDPDNGXVCU-SSDOTTSWSA-N	0	1	229.243	0.990	20	30		BCEDMN
CN1CCCN(C(=O)CSCC#N)CC1	ZINC000192494797	357835986	/nfs/dbraw/zinc/83/59/86/357835986.db2.gz	XKRMSSRCXBNNJU-UHFFFAOYSA-N	0	1	227.333	0.407	20	30		BCEDMN
C[C@@H](NC(=O)c1ccnc(C#N)c1)c1nnc[nH]1	ZINC000193401316	357882142	/nfs/dbraw/zinc/88/21/42/357882142.db2.gz	HSANHZBKXUYCOS-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
COC[C@H](C)N1CCN(CCC#N)CC1	ZINC000610432339	357925736	/nfs/dbraw/zinc/92/57/36/357925736.db2.gz	RVXXCTWUGVDVGO-NSHDSACASA-N	0	1	211.309	0.553	20	30		BCEDMN
N#CCc1cccc(C(=O)NCc2c[nH]nn2)c1	ZINC000610486892	357952036	/nfs/dbraw/zinc/95/20/36/357952036.db2.gz	VXZAIMFLOMNSSS-UHFFFAOYSA-N	0	1	241.254	0.801	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000374754015	134237927	/nfs/dbraw/zinc/23/79/27/134237927.db2.gz	MVOCATARLPPNGQ-DJLDLDEBSA-N	0	1	220.276	0.989	20	30		BCEDMN
N#Cc1cccc(CC(=O)NCc2c[nH]nn2)c1	ZINC000610528408	357967653	/nfs/dbraw/zinc/96/76/53/357967653.db2.gz	YGBZMXHZZCBFIJ-UHFFFAOYSA-N	0	1	241.254	0.535	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)[C@H](C)N(C)C	ZINC000610560045	357987342	/nfs/dbraw/zinc/98/73/42/357987342.db2.gz	SFJPUCLBMGKRQM-UWVGGRQHSA-N	0	1	211.309	0.991	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCOC[C@H]1C	ZINC000584478669	357996346	/nfs/dbraw/zinc/99/63/46/357996346.db2.gz	YUELPIXSZQESGQ-NEPJUHHUSA-N	0	1	225.336	0.989	20	30		BCEDMN
C=CCC[C@H](O)CN1CCNC(=O)[C@H]1CCC	ZINC000305710053	134242235	/nfs/dbraw/zinc/24/22/35/134242235.db2.gz	DWQLPOPAAOYERM-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cnn(C)c1	ZINC000639976846	358032321	/nfs/dbraw/zinc/03/23/21/358032321.db2.gz	PHOBLDKDDLAITB-LBPRGKRZSA-N	0	1	248.330	0.800	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)NC[C@@H](C)N(C)C1CC1	ZINC000218109109	134251355	/nfs/dbraw/zinc/25/13/55/134251355.db2.gz	PQBFFZGQIWYNRO-RKDXNWHRSA-N	0	1	245.348	0.301	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2ncn[nH]2)c(F)c1	ZINC000610943452	358249130	/nfs/dbraw/zinc/24/91/30/358249130.db2.gz	RBVYOQPJWFCBTJ-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2nc[nH]n2)c(F)c1	ZINC000610943452	358249131	/nfs/dbraw/zinc/24/91/31/358249131.db2.gz	RBVYOQPJWFCBTJ-UHFFFAOYSA-N	0	1	245.217	0.745	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N(C)Cc1nnc[nH]1	ZINC000172617297	134268685	/nfs/dbraw/zinc/26/86/85/134268685.db2.gz	YGIXTWWKDKBQGA-VIFPVBQESA-N	0	1	238.291	0.744	20	30		BCEDMN
C#CCN1CCCN(Cc2noc(C)n2)CC1	ZINC000105866709	358437491	/nfs/dbraw/zinc/43/74/91/358437491.db2.gz	ANLKGSAFXIKCRJ-UHFFFAOYSA-N	0	1	234.303	0.519	20	30		BCEDMN
COC(=O)[C@@H](CC(C)C)NC(=O)C(C)C#N	ZINC000044827901	358556840	/nfs/dbraw/zinc/55/68/40/358556840.db2.gz	FWNKTOTUTQMFKE-DTWKUNHWSA-N	0	1	226.276	0.850	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H](C)O	ZINC000130589602	358632432	/nfs/dbraw/zinc/63/24/32/358632432.db2.gz	PSJWHOWZJBJPIU-WDEREUQCSA-N	0	1	241.335	0.307	20	30		BCEDMN
Cc1nnc(NC(=O)c2cc(C#N)c[nH]2)[nH]1	ZINC000175743886	134288867	/nfs/dbraw/zinc/28/88/67/134288867.db2.gz	OCLGSWDXBJWHKJ-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cc(C#N)c[nH]2)n1	ZINC000175743886	134288868	/nfs/dbraw/zinc/28/88/68/134288868.db2.gz	OCLGSWDXBJWHKJ-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
CCN(CCO)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000049754514	358700456	/nfs/dbraw/zinc/70/04/56/358700456.db2.gz	SRPPIOJALIJIPV-LBPRGKRZSA-N	0	1	239.319	0.109	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCC(=O)OCC	ZINC000050067304	358712688	/nfs/dbraw/zinc/71/26/88/358712688.db2.gz	ZINJUDJHZQNIAL-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
CN(Cc1ccnc(C#N)c1)CC(C)(CO)CO	ZINC000611151711	358894645	/nfs/dbraw/zinc/89/46/45/358894645.db2.gz	QNWCKPBNTFMZOI-UHFFFAOYSA-N	0	1	249.314	0.376	20	30		BCEDMN
C[C@H](NCCn1cnc(C#N)n1)c1ccccn1	ZINC000353982770	358905653	/nfs/dbraw/zinc/90/56/53/358905653.db2.gz	XIVVPIWRVHAMTF-JTQLQIEISA-N	0	1	242.286	0.896	20	30		BCEDMN
C#CCCN[C@@H](C(N)=O)c1ccccc1	ZINC000264930146	358949728	/nfs/dbraw/zinc/94/97/28/358949728.db2.gz	AHSDVNKXRPDBBS-LLVKDONJSA-N	0	1	202.257	0.826	20	30		BCEDMN
C[C@@H](NCC(=O)NC(N)=O)c1cccc(C#N)c1	ZINC000611387748	359358301	/nfs/dbraw/zinc/35/83/01/359358301.db2.gz	GJDXQTOCRMTQFZ-MRVPVSSYSA-N	0	1	246.270	0.404	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(C[C@H](C)CO)CC1	ZINC000611431796	359363873	/nfs/dbraw/zinc/36/38/73/359363873.db2.gz	BCQFMVVOWOQXCZ-QWHCGFSZSA-N	0	1	239.363	0.781	20	30		BCEDMN
C=CCNC(=O)CN(CCCO)C1CC1	ZINC000404274164	359413391	/nfs/dbraw/zinc/41/33/91/359413391.db2.gz	CXVZHOZETOICDL-UHFFFAOYSA-N	0	1	212.293	0.135	20	30		BCEDMN
C[C@@H](O)CN(CC1(C#N)CCC1)[C@@H](C)CO	ZINC000450830509	202281669	/nfs/dbraw/zinc/28/16/69/202281669.db2.gz	ODMLJPXWCNYOLZ-WDEREUQCSA-N	0	1	226.320	0.744	20	30		BCEDMN
C[C@H](O)CN(CC1(C#N)CCC1)[C@@H](C)CO	ZINC000450830508	202281909	/nfs/dbraw/zinc/28/19/09/202281909.db2.gz	ODMLJPXWCNYOLZ-QWRGUYRKSA-N	0	1	226.320	0.744	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1c1ccc(C#N)cn1	ZINC000450950846	202319397	/nfs/dbraw/zinc/31/93/97/202319397.db2.gz	DTWYNTJNZRHUEI-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1c1cccc(C#N)n1	ZINC000450956609	202319817	/nfs/dbraw/zinc/31/98/17/202319817.db2.gz	RWRSRXGPAVYEGY-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
CC#CCN1C[C@H](C(=O)OCC)C2(COC2)C1	ZINC000451128585	202359620	/nfs/dbraw/zinc/35/96/20/202359620.db2.gz	BWSLQMZREPWTAJ-LLVKDONJSA-N	0	1	237.299	0.521	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000612601208	359909744	/nfs/dbraw/zinc/90/97/44/359909744.db2.gz	OLCGZGXCIHAPOS-PELKAZGASA-N	0	1	237.303	0.702	20	30		BCEDMN
C=CCOc1ccccc1CNC[C@H](O)CO	ZINC000090282479	360068000	/nfs/dbraw/zinc/06/80/00/360068000.db2.gz	QIVVLDSJUGMBJI-LBPRGKRZSA-N	0	1	237.299	0.694	20	30		BCEDMN
CC1(C#N)CN(C(=O)c2cccc3nn[nH]c32)C1	ZINC000578955223	366679292	/nfs/dbraw/zinc/67/92/92/366679292.db2.gz	PFAOUQKZQTVCQJ-UHFFFAOYSA-N	0	1	241.254	0.944	20	30		BCEDMN
CC(C)(CCC#N)CN1CCO[C@@H](C(N)=O)C1	ZINC000092735922	360192975	/nfs/dbraw/zinc/19/29/75/360192975.db2.gz	FQCVMKIYCSBQKK-SNVBAGLBSA-N	0	1	239.319	0.502	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N1CCN2CCC[C@@H]2C1	ZINC000094460944	360308759	/nfs/dbraw/zinc/30/87/59/360308759.db2.gz	PVQJPPSNCURSCL-NXEZZACHSA-N	0	1	243.332	0.008	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1	ZINC000613121085	360379843	/nfs/dbraw/zinc/37/98/43/360379843.db2.gz	BBJHNQRFHHRFOH-YUMQZZPRSA-N	0	1	238.291	0.652	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000613124206	360393122	/nfs/dbraw/zinc/39/31/22/360393122.db2.gz	PTWUQRNCDHCJFD-RNFRBKRXSA-N	0	1	224.264	0.091	20	30		BCEDMN
C=C[C@H](O)C(=O)N1C[C@H](C)N(C)C[C@@H]1C	ZINC000613191937	360610412	/nfs/dbraw/zinc/61/04/12/360610412.db2.gz	UKSGGZXYFRUDDK-GUBZILKMSA-N	0	1	212.293	0.084	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NCCN1CC[C@@H](O)C1	ZINC000629171977	360919292	/nfs/dbraw/zinc/91/92/92/360919292.db2.gz	LRDFJHSTKVQKTH-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#Cc1ccc(CNCCS(C)(=O)=O)cc1	ZINC000289298876	361187697	/nfs/dbraw/zinc/18/76/97/361187697.db2.gz	QRUFNAITOVENJZ-UHFFFAOYSA-N	0	1	237.324	0.802	20	30		BCEDMN
CC(C)OCC(=O)NC1(C#N)CCN(C)CC1	ZINC000122077204	361411682	/nfs/dbraw/zinc/41/16/82/361411682.db2.gz	PBGWLJNTHSCZHR-UHFFFAOYSA-N	0	1	239.319	0.516	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCC[C@@H]1CN(C)C	ZINC000435226581	201255876	/nfs/dbraw/zinc/25/58/76/201255876.db2.gz	PEOYAMRHIOOQAG-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=C(C)CS(=O)(=O)NC[C@H](C)N(C)C1CC1	ZINC000435427992	201270156	/nfs/dbraw/zinc/27/01/56/201270156.db2.gz	OJCOGLMCMMCPRN-JTQLQIEISA-N	0	1	246.376	0.965	20	30		BCEDMN
CN(CC#N)C(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000436248609	201315720	/nfs/dbraw/zinc/31/57/20/201315720.db2.gz	BTTMWDYWGLAMDN-UHFFFAOYSA-N	0	1	244.258	0.406	20	30		BCEDMN
C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCC1	ZINC000328948213	541328999	/nfs/dbraw/zinc/32/89/99/541328999.db2.gz	MWGXXOKMYPWMMH-VHSXEESVSA-N	0	1	227.308	0.373	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000614796075	363974090	/nfs/dbraw/zinc/97/40/90/363974090.db2.gz	VIRUGUOKWDMHFG-LHLIQPBNSA-N	0	1	224.264	0.227	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CC[C@H](C)O	ZINC000253195758	364684361	/nfs/dbraw/zinc/68/43/61/364684361.db2.gz	RXJBWTAKWWMQOB-VHSXEESVSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@@H](CO)N[C@@H](C)c1cn(C)nc1C	ZINC000289630199	364768298	/nfs/dbraw/zinc/76/82/98/364768298.db2.gz	FEGZZFJPVWSEGF-WPRPVWTQSA-N	0	1	209.293	0.926	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](CO)[C@H](O)C2)c1	ZINC000573521909	364852225	/nfs/dbraw/zinc/85/22/25/364852225.db2.gz	SVCDYWBPDLAJMA-UONOGXRCSA-N	0	1	246.310	0.733	20	30		BCEDMN
N#CC1(CNC(=O)NCCN2CCC2)CC1	ZINC000573873996	364936690	/nfs/dbraw/zinc/93/66/90/364936690.db2.gz	BMBQMKYQDKYFSE-UHFFFAOYSA-N	0	1	222.292	0.295	20	30		BCEDMN
CSC[C@H](O)CNCC1(C#N)CC1	ZINC000574150756	364996976	/nfs/dbraw/zinc/99/69/76/364996976.db2.gz	IYUMEAKQASCGCB-MRVPVSSYSA-N	0	1	200.307	0.604	20	30		BCEDMN
C[C@H](C#N)CNC(=O)c1ccc2[nH]nnc2c1	ZINC000171848183	365249516	/nfs/dbraw/zinc/24/95/16/365249516.db2.gz	SXVITQBESXXREM-SSDOTTSWSA-N	0	1	229.243	0.847	20	30		BCEDMN
CC(C)C[N@@H+](CCOCCC#N)CC(N)=O	ZINC000338902110	365440299	/nfs/dbraw/zinc/44/02/99/365440299.db2.gz	ILJMLYLSGTYKFF-UHFFFAOYSA-N	0	1	227.308	0.360	20	30		BCEDMN
CC(C)CN(CCOCCC#N)CC(N)=O	ZINC000338902110	365440301	/nfs/dbraw/zinc/44/03/01/365440301.db2.gz	ILJMLYLSGTYKFF-UHFFFAOYSA-N	0	1	227.308	0.360	20	30		BCEDMN
CCCN(CCOCCC#N)CC(=O)N(C)C	ZINC000338918553	365442155	/nfs/dbraw/zinc/44/21/55/365442155.db2.gz	AUZCUTYGKDWLJX-UHFFFAOYSA-N	0	1	241.335	0.717	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCN(C)C1	ZINC000184435422	367077512	/nfs/dbraw/zinc/07/75/12/367077512.db2.gz	BQVSHMKPDIJMSD-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000580783826	367165352	/nfs/dbraw/zinc/16/53/52/367165352.db2.gz	WRTXCXZMQYHFSX-MNOVXSKESA-N	0	1	237.303	0.079	20	30		BCEDMN
CC#CCNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000580784412	367166450	/nfs/dbraw/zinc/16/64/50/367166450.db2.gz	VLLNEJXNVALGHP-VIFPVBQESA-N	0	1	205.261	0.728	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1C(=O)[O-]	ZINC000581500539	367528135	/nfs/dbraw/zinc/52/81/35/367528135.db2.gz	WGXBUDPPLBVZBR-VHSXEESVSA-N	0	1	245.344	0.816	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])C1CC1	ZINC000581494043	367522771	/nfs/dbraw/zinc/52/27/71/367522771.db2.gz	TUTPUTHUWHEXHO-SNVBAGLBSA-N	0	1	213.277	0.863	20	30		BCEDMN
C=CCOCCC[N@H+]1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000566361204	326035353	/nfs/dbraw/zinc/03/53/53/326035353.db2.gz	FCSLBAAVJCDWQE-GHMZBOCLSA-N	0	1	243.303	0.753	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000566509174	326060857	/nfs/dbraw/zinc/06/08/57/326060857.db2.gz	CGRCEYYYVVBTDO-GHMZBOCLSA-N	0	1	243.303	0.753	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000615825570	368464902	/nfs/dbraw/zinc/46/49/02/368464902.db2.gz	ROSCROWAYUMQOS-JTQLQIEISA-N	0	1	222.223	0.416	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN([C@@H](C)CC)CC1	ZINC000615984361	368854339	/nfs/dbraw/zinc/85/43/39/368854339.db2.gz	FCEDAZYDECVKDP-QWRGUYRKSA-N	0	1	226.320	0.476	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)CCc2cnc[nH]2)C1	ZINC000619445130	369367783	/nfs/dbraw/zinc/36/77/83/369367783.db2.gz	BAHBNSODJGRWST-NSHDSACASA-N	0	1	236.250	0.806	20	30		BCEDMN
CN1CCC[C@H](NC(=O)CSCC#N)C1	ZINC000060411168	369478644	/nfs/dbraw/zinc/47/86/44/369478644.db2.gz	HDLZRNCCCWKWIQ-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
C[C@H](Cn1cncn1)NCc1cccc(C#N)n1	ZINC000602535362	369808449	/nfs/dbraw/zinc/80/84/49/369808449.db2.gz	LVFYCPOSGYSKCB-SNVBAGLBSA-N	0	1	242.286	0.723	20	30		BCEDMN
COC[C@@](C)(CO)NCc1cccc(C#N)n1	ZINC000602589417	369818795	/nfs/dbraw/zinc/81/87/95/369818795.db2.gz	RPVMBWVRTPZEPB-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
C[C@@H](C[S@](C)=O)NCc1cccc(C#N)n1	ZINC000602608408	369826154	/nfs/dbraw/zinc/82/61/54/369826154.db2.gz	NEFNAHJTUGXEEQ-FVMDXXJSSA-N	0	1	237.328	0.810	20	30		BCEDMN
N#Cc1cccc(CNC[C@@H]2CCCC(=O)N2)n1	ZINC000602640337	369834290	/nfs/dbraw/zinc/83/42/90/369834290.db2.gz	PHRXQFUTFIYYFB-LBPRGKRZSA-N	0	1	244.298	0.712	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](CC(N)=O)C2)n1	ZINC000602665200	369837149	/nfs/dbraw/zinc/83/71/49/369837149.db2.gz	UBMGRMZFXIWWCR-JTQLQIEISA-N	0	1	244.298	0.651	20	30		BCEDMN
N#Cc1cccc(CN(CCO)C2CC2)n1	ZINC000602439847	369787086	/nfs/dbraw/zinc/78/70/86/369787086.db2.gz	LQGFCRWCXLQXES-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
CO[C@@](C)(CO)CNCc1cccc(C#N)n1	ZINC000602707014	369844114	/nfs/dbraw/zinc/84/41/14/369844114.db2.gz	SDOHLJMZCZAERV-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
CN1CCN(Cc2ccccc2C#N)[C@H](CO)C1	ZINC000602714619	369846026	/nfs/dbraw/zinc/84/60/26/369846026.db2.gz	HRTDPDSMFKOUDR-AWEZNQCLSA-N	0	1	245.326	0.667	20	30		BCEDMN
CN1CCN(Cc2ccc(C#N)cc2)[C@H](CO)C1	ZINC000602717371	369846037	/nfs/dbraw/zinc/84/60/37/369846037.db2.gz	YSKWDMHYQJLPKI-AWEZNQCLSA-N	0	1	245.326	0.667	20	30		BCEDMN
N#Cc1cc(CN2[C@H](CO)CC[C@H]2CO)ccn1	ZINC000602884688	369860019	/nfs/dbraw/zinc/86/00/19/369860019.db2.gz	RQKJJSVOLPOIDM-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
C[C@]1(CO)C[C@@H](O)CN1Cc1ccnc(C#N)c1	ZINC000602895615	369860947	/nfs/dbraw/zinc/86/09/47/369860947.db2.gz	BEEMCKXLQAALTJ-CHWSQXEVSA-N	0	1	247.298	0.271	20	30		BCEDMN
C[C@@]1(CO)C[C@H](O)CN1Cc1ccnc(C#N)c1	ZINC000602895618	369861222	/nfs/dbraw/zinc/86/12/22/369861222.db2.gz	BEEMCKXLQAALTJ-STQMWFEESA-N	0	1	247.298	0.271	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(C#N)cn1	ZINC000602900381	369863050	/nfs/dbraw/zinc/86/30/50/369863050.db2.gz	UMFKWYKSELDCBH-OLZOCXBDSA-N	0	1	247.298	0.271	20	30		BCEDMN
CCNCc1cn(Cc2nc(C#N)cs2)nn1	ZINC000603248495	369903160	/nfs/dbraw/zinc/90/31/60/369903160.db2.gz	LENIRANRZRTERN-UHFFFAOYSA-N	0	1	248.315	0.764	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21	ZINC000329905729	371211702	/nfs/dbraw/zinc/21/17/02/371211702.db2.gz	JRSMKXYDZZNNAJ-OLZOCXBDSA-N	0	1	244.298	0.472	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NCCc1nc(C)n[nH]1	ZINC000392616293	371421386	/nfs/dbraw/zinc/42/13/86/371421386.db2.gz	MTFAVRKIMBSLBB-QMMMGPOBSA-N	0	1	221.264	0.322	20	30		BCEDMN
CC[C@H](C#N)C(=O)NCCN1CC=CCC1	ZINC000392870395	371469500	/nfs/dbraw/zinc/46/95/00/371469500.db2.gz	IRQTVBMUTOGQMB-LLVKDONJSA-N	0	1	221.304	0.914	20	30		BCEDMN
C=CCCCCCNc1nc(N)nc(N)[nH+]1	ZINC000624373002	371495235	/nfs/dbraw/zinc/49/52/35/371495235.db2.gz	AHPKPWXKHSENHJ-UHFFFAOYSA-N	0	1	222.296	0.277	20	30		BCEDMN
CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccnc(C#N)c1	ZINC000228060252	371983319	/nfs/dbraw/zinc/98/33/19/371983319.db2.gz	DFHKNGNEDFABQX-JTQLQIEISA-N	0	1	246.314	0.767	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2CCC[C@@H]2O)nn1	ZINC000631251567	372260853	/nfs/dbraw/zinc/26/08/53/372260853.db2.gz	ZKVZNABSKYDUMK-RYUDHWBXSA-N	0	1	236.319	0.857	20	30		BCEDMN
C=CC1CCN(S(=O)(=O)c2ncc[nH]2)CC1	ZINC000631940538	372699365	/nfs/dbraw/zinc/69/93/65/372699365.db2.gz	ZITIFTSPZUMQJS-UHFFFAOYSA-N	0	1	241.316	0.996	20	30		BCEDMN
C=CCCCCNC(=O)CCc1nn[nH]n1	ZINC000632520473	372988093	/nfs/dbraw/zinc/98/80/93/372988093.db2.gz	SKKXRUDQBXEQLH-UHFFFAOYSA-N	0	1	223.280	0.605	20	30		BCEDMN
C=CCCN(C)C(=O)CCc1nn[nH]n1	ZINC000632702914	373081463	/nfs/dbraw/zinc/08/14/63/373081463.db2.gz	HXBRWEKHKUZTIQ-UHFFFAOYSA-N	0	1	209.253	0.167	20	30		BCEDMN
C=CCCC(C)(C)NC(=O)CCc1nn[n-]n1	ZINC000633653875	373662865	/nfs/dbraw/zinc/66/28/65/373662865.db2.gz	GSFKSMZWAOMAKA-UHFFFAOYSA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CCCC(C)(C)NC(=O)CCc1nn[nH]n1	ZINC000633653875	373662872	/nfs/dbraw/zinc/66/28/72/373662872.db2.gz	GSFKSMZWAOMAKA-UHFFFAOYSA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@@H](C)C(=O)OC	ZINC000048335921	383846534	/nfs/dbraw/zinc/84/65/34/383846534.db2.gz	WCUHHXZXPOUXHL-SECBINFHSA-N	0	1	228.292	0.030	20	30		BCEDMN
C=CCn1cc(-c2nc([C@H]3CCCN3)no2)nn1	ZINC000647143826	383829874	/nfs/dbraw/zinc/82/98/74/383829874.db2.gz	CRYVQXNRFWOQFW-MRVPVSSYSA-N	0	1	246.274	0.939	20	30		BCEDMN
C=CCn1cc(-c2nc([C@@H]3CCCN3)no2)nn1	ZINC000647143827	383830440	/nfs/dbraw/zinc/83/04/40/383830440.db2.gz	CRYVQXNRFWOQFW-QMMMGPOBSA-N	0	1	246.274	0.939	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2nccnc2C#N)n[nH]1	ZINC000343970760	383900875	/nfs/dbraw/zinc/90/08/75/383900875.db2.gz	IOMSPIJKRKZRSD-ZCFIWIBFSA-N	0	1	229.247	0.948	20	30		BCEDMN
CS(=O)(=O)N[C@H]1CCN(CCCCC#N)C1	ZINC000116890228	383954703	/nfs/dbraw/zinc/95/47/03/383954703.db2.gz	WYOLBBFQCAARIO-JTQLQIEISA-N	0	1	245.348	0.304	20	30		BCEDMN
C#CCNC(=O)N1CCN(C(C)C)CC1	ZINC000298633048	383965166	/nfs/dbraw/zinc/96/51/66/383965166.db2.gz	AQIXJCGCJASXRK-UHFFFAOYSA-N	0	1	209.293	0.355	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1cncnc1OC	ZINC000647216128	384010886	/nfs/dbraw/zinc/01/08/86/384010886.db2.gz	WANORFXPEJVVEV-NSHDSACASA-N	0	1	237.303	0.902	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CCO)CCCC	ZINC000049800280	384043406	/nfs/dbraw/zinc/04/34/06/384043406.db2.gz	MPFJEELGXUYTCL-UHFFFAOYSA-N	0	1	214.309	0.383	20	30		BCEDMN
C=CCNC(=O)CN(CCO)CCCC	ZINC000049800280	384043416	/nfs/dbraw/zinc/04/34/16/384043416.db2.gz	MPFJEELGXUYTCL-UHFFFAOYSA-N	0	1	214.309	0.383	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN[C@@H](C(C)C)C1	ZINC000647255872	384030889	/nfs/dbraw/zinc/03/08/89/384030889.db2.gz	VLYGQFLBFBWRCP-LLVKDONJSA-N	0	1	246.376	0.822	20	30		BCEDMN
C#CCCCCNC(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000367800196	533032247	/nfs/dbraw/zinc/03/22/47/533032247.db2.gz	IMEOBTQNRVWSDR-ZJUUUORDSA-N	0	1	232.287	0.828	20	30		BCEDMN
C#CCCCCNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000367800189	533032466	/nfs/dbraw/zinc/03/24/66/533032466.db2.gz	IMEOBTQNRVWSDR-NXEZZACHSA-N	0	1	232.287	0.828	20	30		BCEDMN
C#CCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000378125082	533038970	/nfs/dbraw/zinc/03/89/70/533038970.db2.gz	BXNUETYRCASIKB-JTQLQIEISA-N	0	1	246.314	0.980	20	30		BCEDMN
C#CCCCNC(=O)[C@H]1CN(C(C)C)CCO1	ZINC000367581971	533038683	/nfs/dbraw/zinc/03/86/83/533038683.db2.gz	YTGSEQUPSICFHZ-GFCCVEGCSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCCN1CCN(c2cc(C)ncn2)CC1	ZINC000301229236	533053949	/nfs/dbraw/zinc/05/39/49/533053949.db2.gz	HYBWAWHWKPIFDK-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C=CCOCCC[N@H+](C)[C@@H](C)C(=O)[O-]	ZINC000566358600	384295398	/nfs/dbraw/zinc/29/53/98/384295398.db2.gz	JIPDZIYKHNQCBY-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
C#CC[N@@H+](CC)CCCS(=O)(=O)N(C)C	ZINC000490741563	384374369	/nfs/dbraw/zinc/37/43/69/384374369.db2.gz	SRXLAVKYYBNFPT-UHFFFAOYSA-N	0	1	232.349	0.223	20	30		BCEDMN
C#CCN(CC)CCCS(=O)(=O)N(C)C	ZINC000490741563	384374373	/nfs/dbraw/zinc/37/43/73/384374373.db2.gz	SRXLAVKYYBNFPT-UHFFFAOYSA-N	0	1	232.349	0.223	20	30		BCEDMN
C=C[C@H](O)C(=O)Nc1ccc2[nH]nnc2c1	ZINC000646898376	384414997	/nfs/dbraw/zinc/41/49/97/384414997.db2.gz	RJODJDZOXDHUAN-VIFPVBQESA-N	0	1	218.216	0.443	20	30		BCEDMN
C[C@H](C#N)CN[C@H]1CCC(=O)NC1(C)C	ZINC000335607813	384387970	/nfs/dbraw/zinc/38/79/70/384387970.db2.gz	HXZGOHKWOBXLHK-BDAKNGLRSA-N	0	1	209.293	0.793	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCCO1	ZINC000490850262	384437373	/nfs/dbraw/zinc/43/73/73/384437373.db2.gz	AVPDEKLLZTZHCH-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@H](C)O[C@H](CO)C1	ZINC000249510002	384503190	/nfs/dbraw/zinc/50/31/90/384503190.db2.gz	ZPQZMIWPGGZNMK-SRVKXCTJSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@H](CO)O[C@@H](C)C1	ZINC000249510000	384505179	/nfs/dbraw/zinc/50/51/79/384505179.db2.gz	ZPQZMIWPGGZNMK-SDDRHHMPSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)NC[C@@H]2C1	ZINC000150879612	384515439	/nfs/dbraw/zinc/51/54/39/384515439.db2.gz	UMONGUFFBFQJTA-GHMZBOCLSA-N	0	1	239.319	0.023	20	30		BCEDMN
N#Cc1cncc(NCCN2CCCOCC2)n1	ZINC000564892120	384586046	/nfs/dbraw/zinc/58/60/46/384586046.db2.gz	QSLGWEJRZSHZOC-UHFFFAOYSA-N	0	1	247.302	0.482	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CC#N)C1	ZINC000408036561	384587583	/nfs/dbraw/zinc/58/75/83/384587583.db2.gz	UVHVZXKYPOSLGS-SFYZADRCSA-N	0	1	207.237	0.090	20	30		BCEDMN
CC#CCCN(C)CC(=O)N1CCOCC1	ZINC000155072040	384691509	/nfs/dbraw/zinc/69/15/09/384691509.db2.gz	HEAUCKNWSXQOKW-UHFFFAOYSA-N	0	1	224.304	0.190	20	30		BCEDMN
CN(C)CC(=O)N(CCC#N)CC1CC1	ZINC000151818171	384818015	/nfs/dbraw/zinc/81/80/15/384818015.db2.gz	AKEFVALKCJBMEW-UHFFFAOYSA-N	0	1	209.293	0.700	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NC(=O)c1ncn[nH]1	ZINC000087444089	384794556	/nfs/dbraw/zinc/79/45/56/384794556.db2.gz	QVDIXTSBEGRLKR-RNFRBKRXSA-N	0	1	205.221	0.227	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NC(=O)c1nc[nH]n1	ZINC000087444089	384794561	/nfs/dbraw/zinc/79/45/61/384794561.db2.gz	QVDIXTSBEGRLKR-RNFRBKRXSA-N	0	1	205.221	0.227	20	30		BCEDMN
C[C@@H](O)CCNCc1nc(C#N)cs1	ZINC000308626817	384875737	/nfs/dbraw/zinc/87/57/37/384875737.db2.gz	WYCHZHNJCAKBMR-SSDOTTSWSA-N	0	1	211.290	0.875	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CO)CC1	ZINC000339753757	384885220	/nfs/dbraw/zinc/88/52/20/384885220.db2.gz	VAYQSZZMENVWSI-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#C[C@@H](NC(=O)NCc1n[nH]c(CC)n1)C(C)C	ZINC000297593408	384857342	/nfs/dbraw/zinc/85/73/42/384857342.db2.gz	DDVBEVDXLPWCBY-SECBINFHSA-N	0	1	249.318	0.824	20	30		BCEDMN
C=CCC[C@H](CO)NS(=O)(=O)c1ncc[nH]1	ZINC000316301757	384951616	/nfs/dbraw/zinc/95/16/16/384951616.db2.gz	JNHAHFCISKXSPW-MRVPVSSYSA-N	0	1	245.304	0.015	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cncnc1OC	ZINC000647201130	384892968	/nfs/dbraw/zinc/89/29/68/384892968.db2.gz	BDMUERHDBDLORT-JTQLQIEISA-N	0	1	223.276	0.512	20	30		BCEDMN
CC#CCCCC(=O)Nc1nn[nH]c1C(=O)NC	ZINC000297790950	384917273	/nfs/dbraw/zinc/91/72/73/384917273.db2.gz	RKTNSYNULARPFB-UHFFFAOYSA-N	0	1	249.274	0.296	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCO1	ZINC000245384001	384965166	/nfs/dbraw/zinc/96/51/66/384965166.db2.gz	SVIQARWVTKJAOQ-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](O)C1	ZINC000245501455	385014299	/nfs/dbraw/zinc/01/42/99/385014299.db2.gz	ATQASYILKRPARR-NWDGAFQWSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000646910287	385053454	/nfs/dbraw/zinc/05/34/54/385053454.db2.gz	PAHDQQDRWWBRMM-DTWKUNHWSA-N	0	1	221.260	0.450	20	30		BCEDMN
N#Cc1cnc(NCCN2CCCOCC2)cn1	ZINC000188492757	385037414	/nfs/dbraw/zinc/03/74/14/385037414.db2.gz	JSAMSHYVVBQAAY-UHFFFAOYSA-N	0	1	247.302	0.482	20	30		BCEDMN
Cc1nc([C@H]2CN(CCC#N)CCO2)n[nH]1	ZINC000407949429	385101710	/nfs/dbraw/zinc/10/17/10/385101710.db2.gz	SKFXXNYXVGPVIA-SECBINFHSA-N	0	1	221.264	0.400	20	30		BCEDMN
Cn1cc(CN[C@H]2CCCCNC2=O)cc1C#N	ZINC000189583076	385200801	/nfs/dbraw/zinc/20/08/01/385200801.db2.gz	PTFGKKQVLLMLGR-LBPRGKRZSA-N	0	1	246.314	0.655	20	30		BCEDMN
CC(C)[N@@H+](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000127466002	385222224	/nfs/dbraw/zinc/22/22/24/385222224.db2.gz	YCGVENNQDIETRI-UHFFFAOYSA-N	0	1	246.274	0.432	20	30		BCEDMN
CN(Cc1nnc[nH]1)[C@@H]1CC[C@@H](C#N)C1	ZINC000407991292	385317754	/nfs/dbraw/zinc/31/77/54/385317754.db2.gz	UUSLSYVAXWWJGU-RKDXNWHRSA-N	0	1	205.265	0.929	20	30		BCEDMN
C=CCn1cc(-c2nc(C3(N)CCC3)no2)nn1	ZINC000647141885	385289391	/nfs/dbraw/zinc/28/93/91/385289391.db2.gz	YMHACUVPDCGJEX-UHFFFAOYSA-N	0	1	246.274	0.852	20	30		BCEDMN
CN(CCC#N)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000407995776	385335277	/nfs/dbraw/zinc/33/52/77/385335277.db2.gz	JRKYPBNHPBWTMI-QMMMGPOBSA-N	0	1	233.275	0.282	20	30		BCEDMN
CN(CCC#N)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000407995776	385335279	/nfs/dbraw/zinc/33/52/79/385335279.db2.gz	JRKYPBNHPBWTMI-QMMMGPOBSA-N	0	1	233.275	0.282	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(OC)nc1	ZINC000309086628	385410966	/nfs/dbraw/zinc/41/09/66/385410966.db2.gz	YJYJPYMLXJHXQU-SNVBAGLBSA-N	0	1	208.261	0.727	20	30		BCEDMN
CN(Cc1cccc(C#N)c1)[C@@H]1COC[C@@H]1O	ZINC000302354219	385516788	/nfs/dbraw/zinc/51/67/88/385516788.db2.gz	JCFYMMLQDBGEAW-OLZOCXBDSA-N	0	1	232.283	0.750	20	30		BCEDMN
C[C@H](O)CCNCc1nc(C#N)cs1	ZINC000308626818	385586436	/nfs/dbraw/zinc/58/64/36/385586436.db2.gz	WYCHZHNJCAKBMR-ZETCQYMHSA-N	0	1	211.290	0.875	20	30		BCEDMN
CC[C@@H](C)N1CCN(C(=O)CC#N)CC1	ZINC000055079709	385692046	/nfs/dbraw/zinc/69/20/46/385692046.db2.gz	ZNWMWVNKQDWBBQ-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1cnc(C#N)cn1	ZINC000228849300	385849547	/nfs/dbraw/zinc/84/95/47/385849547.db2.gz	UHQZFHDRJIXMIH-SECBINFHSA-N	0	1	217.276	0.489	20	30		BCEDMN
Cc1cc(C#N)nc(NCCCc2nc[nH]n2)n1	ZINC000231940119	385897900	/nfs/dbraw/zinc/89/79/00/385897900.db2.gz	NNCDGGFHNUBLFR-UHFFFAOYSA-N	0	1	243.274	0.820	20	30		BCEDMN
C[C@@H]1CN(c2nccc(C#N)n2)C[C@H](C)N1C	ZINC000231906414	385876568	/nfs/dbraw/zinc/87/65/68/385876568.db2.gz	MOSBXWKTEBWMSS-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCC(C)(C)C(=O)NCc1nn[nH]n1	ZINC000645388654	386027995	/nfs/dbraw/zinc/02/79/95/386027995.db2.gz	ZSDYITRWNVJFSB-UHFFFAOYSA-N	0	1	209.253	0.418	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@H]1NC[C@@H](C#N)CCC#N	ZINC000345871268	386138383	/nfs/dbraw/zinc/13/83/83/386138383.db2.gz	BFCXAKLNVSDPGI-IJLUTSLNSA-N	0	1	248.330	0.934	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCCN([C@@H](C)CO)CC1	ZINC000347098048	386248055	/nfs/dbraw/zinc/24/80/55/386248055.db2.gz	KXEUHJLNTOGECH-MNOVXSKESA-N	0	1	239.319	0.061	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncn[nH]1	ZINC000280634177	386366669	/nfs/dbraw/zinc/36/66/69/386366669.db2.gz	ADHYCZLSBQCZKF-IUCAKERBSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1nc[nH]n1	ZINC000280634177	386366674	/nfs/dbraw/zinc/36/66/74/386366674.db2.gz	ADHYCZLSBQCZKF-IUCAKERBSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ncn[nH]1	ZINC000280634169	386367416	/nfs/dbraw/zinc/36/74/16/386367416.db2.gz	ADHYCZLSBQCZKF-BDAKNGLRSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1nc[nH]n1	ZINC000280634169	386367422	/nfs/dbraw/zinc/36/74/22/386367422.db2.gz	ADHYCZLSBQCZKF-BDAKNGLRSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1cnn(C)c1C	ZINC000181161985	386337141	/nfs/dbraw/zinc/33/71/41/386337141.db2.gz	PDVNCHCPVOMZBM-VIFPVBQESA-N	0	1	236.319	0.681	20	30		BCEDMN
C=CCCC[N@@H+](C)Cc1nc(=O)n(C)[n-]1	ZINC000347484725	386437784	/nfs/dbraw/zinc/43/77/84/386437784.db2.gz	QICPIHVTEGQQFU-UHFFFAOYSA-N	0	1	210.281	0.506	20	30		BCEDMN
C=CCCC[N@H+](C)Cc1nc(=O)n(C)[n-]1	ZINC000347484725	386437790	/nfs/dbraw/zinc/43/77/90/386437790.db2.gz	QICPIHVTEGQQFU-UHFFFAOYSA-N	0	1	210.281	0.506	20	30		BCEDMN
O=C(NCC#Cc1ccccc1)N1CCNCC1	ZINC000416940909	386424333	/nfs/dbraw/zinc/42/43/33/386424333.db2.gz	HCFPMIJXIBKWIB-UHFFFAOYSA-N	0	1	243.310	0.653	20	30		BCEDMN
C=CCSCCNC(=O)N1CCNCC1	ZINC000417348021	386488699	/nfs/dbraw/zinc/48/86/99/386488699.db2.gz	XEZFRYRXMRVVBQ-UHFFFAOYSA-N	0	1	229.349	0.520	20	30		BCEDMN
CCc1nc(NC(=O)C2(C#N)CCC2)n[nH]1	ZINC000123000531	386527607	/nfs/dbraw/zinc/52/76/07/386527607.db2.gz	MGLBWMIKZHEKRU-UHFFFAOYSA-N	0	1	219.248	0.999	20	30		BCEDMN
CCc1n[nH]c(NC(=O)C2(C#N)CCC2)n1	ZINC000123000531	386527614	/nfs/dbraw/zinc/52/76/14/386527614.db2.gz	MGLBWMIKZHEKRU-UHFFFAOYSA-N	0	1	219.248	0.999	20	30		BCEDMN
N#CCCNC(=O)[C@@H]1CCCN1C1CC1	ZINC000408370604	386460559	/nfs/dbraw/zinc/46/05/59/386460559.db2.gz	NCSIYFHHOLGLKQ-JTQLQIEISA-N	0	1	207.277	0.643	20	30		BCEDMN
N#CCCNC(=O)[C@H]1CCCN1C1CC1	ZINC000408370605	386460769	/nfs/dbraw/zinc/46/07/69/386460769.db2.gz	NCSIYFHHOLGLKQ-SNVBAGLBSA-N	0	1	207.277	0.643	20	30		BCEDMN
C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000123667797	386562250	/nfs/dbraw/zinc/56/22/50/386562250.db2.gz	QKIIXKDDUXAQRB-QWRGUYRKSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=C(C)CNC(=O)CN1CCN(CC)CC1	ZINC000428111875	386639300	/nfs/dbraw/zinc/63/93/00/386639300.db2.gz	TVGWIXMUGYYXFV-UHFFFAOYSA-N	0	1	225.336	0.316	20	30		BCEDMN
CCn1nncc1C(=O)N[C@H](C)c1nnc[nH]1	ZINC000328887756	386640729	/nfs/dbraw/zinc/64/07/29/386640729.db2.gz	PRJOIXMKFAQYLV-ZCFIWIBFSA-N	0	1	235.251	0.482	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)[C@H]2CCCO2)n1	ZINC000328874908	386641647	/nfs/dbraw/zinc/64/16/47/386641647.db2.gz	RVWYAEYQFPVEFK-MRVPVSSYSA-N	0	1	224.264	0.791	20	30		BCEDMN
CCn1nncc1C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000328887755	386641803	/nfs/dbraw/zinc/64/18/03/386641803.db2.gz	PRJOIXMKFAQYLV-LURJTMIESA-N	0	1	235.251	0.482	20	30		BCEDMN
C[C@H](NC(=O)[C@H]1COCCN1C)c1nnc[nH]1	ZINC000328985471	386667149	/nfs/dbraw/zinc/66/71/49/386667149.db2.gz	TXPKHPWLPSHCNV-JGVFFNPUSA-N	0	1	239.279	0.153	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1C[C@H]2CCN(C)[C@H]2C1	ZINC000334636613	386772802	/nfs/dbraw/zinc/77/28/02/386772802.db2.gz	ZMDSDHZQUVTYGQ-MNOVXSKESA-N	0	1	244.360	0.528	20	30		BCEDMN
CNC(=O)CNC(=O)c1c(C)n[nH]c1C(C)C	ZINC000330524819	386774081	/nfs/dbraw/zinc/77/40/81/386774081.db2.gz	UVUCFKDUBYFHBT-UHFFFAOYSA-N	0	1	238.291	0.892	20	30		BCEDMN
COCCN1CC[C@@H](NC(=O)C(C)(C)C#N)C1	ZINC000330644708	386811470	/nfs/dbraw/zinc/81/14/70/386811470.db2.gz	KQMXHAQIQGSSFF-SNVBAGLBSA-N	0	1	239.319	0.373	20	30		BCEDMN
CN1CCN(C)[C@@H](CNC(=O)c2cc[nH]c2)C1	ZINC000330696908	386834426	/nfs/dbraw/zinc/83/44/26/386834426.db2.gz	KKFBHKFXAXEALM-NSHDSACASA-N	0	1	236.319	0.565	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC[C@@H](O)Cn1cccn1	ZINC000330802201	386892565	/nfs/dbraw/zinc/89/25/65/386892565.db2.gz	ARXQUAYMYCVOSX-QJPTWQEYSA-N	0	1	234.303	0.526	20	30		BCEDMN
C[C@H](NC(=O)Nc1cnn(C)c1)c1nnc[nH]1	ZINC000330708239	386860782	/nfs/dbraw/zinc/86/07/82/386860782.db2.gz	QNCPYUSWZFCSIN-LURJTMIESA-N	0	1	235.251	0.625	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)C[C@H](C)O	ZINC000051821438	386871054	/nfs/dbraw/zinc/87/10/54/386871054.db2.gz	UKCBIORPZPVQEQ-NSHDSACASA-N	0	1	226.320	0.500	20	30		BCEDMN
C[C@@H](NC(=O)Nc1ccnn1C)c1nnc[nH]1	ZINC000331141766	386973216	/nfs/dbraw/zinc/97/32/16/386973216.db2.gz	UNJDQRHHJQDZSM-ZCFIWIBFSA-N	0	1	235.251	0.625	20	30		BCEDMN
C=CCOCCC[N@H+](C)[C@H](C)C(=O)[O-]	ZINC000519183112	387030580	/nfs/dbraw/zinc/03/05/80/387030580.db2.gz	JIPDZIYKHNQCBY-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
C=CCN1CC[C@H](NC(C)(C)C[NH+](C)C)C1=O	ZINC000459569390	387059769	/nfs/dbraw/zinc/05/97/69/387059769.db2.gz	XXNOOINGRCIPSD-NSHDSACASA-N	0	1	239.363	0.703	20	30		BCEDMN
C=CCCCNC(=O)N1CCN[C@@H](C)C1	ZINC000418104314	387133725	/nfs/dbraw/zinc/13/37/25/387133725.db2.gz	XQWNETOCCTVEST-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
CC(C)[C@H]1CN(C(=O)[C@@H](C)C#N)CCN1C	ZINC000336419587	387246298	/nfs/dbraw/zinc/24/62/98/387246298.db2.gz	NFCDNUADGQSDDY-WDEREUQCSA-N	0	1	223.320	0.945	20	30		BCEDMN
C[C@H]1CCN(CCCC#N)[C@H](C(N)=O)C1	ZINC000187426891	387196692	/nfs/dbraw/zinc/19/66/92/387196692.db2.gz	HGVJOIIBBRMJSW-UWVGGRQHSA-N	0	1	209.293	0.876	20	30		BCEDMN
C=CCCC(=O)NCCN1CCCOCC1	ZINC000189471949	387283534	/nfs/dbraw/zinc/28/35/34/387283534.db2.gz	AEAPCOLOIWAEIW-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
C#CCNC(=O)[C@H](C)Sc1n[nH]c(CC)n1	ZINC000029804989	387305713	/nfs/dbraw/zinc/30/57/13/387305713.db2.gz	MESHZJRQCOFUNA-ZETCQYMHSA-N	0	1	238.316	0.597	20	30		BCEDMN
C#CCNC(=O)[C@H](C)Sc1nc(CC)n[nH]1	ZINC000029804989	387305716	/nfs/dbraw/zinc/30/57/16/387305716.db2.gz	MESHZJRQCOFUNA-ZETCQYMHSA-N	0	1	238.316	0.597	20	30		BCEDMN
C[C@@H](NCc1ccc(C#N)cc1)C(N)=O	ZINC000035793513	387375880	/nfs/dbraw/zinc/37/58/80/387375880.db2.gz	FXZMRFRPIWHGFD-MRVPVSSYSA-N	0	1	203.245	0.522	20	30		BCEDMN
CN(C)C1CN(C(=O)C#Cc2ccccc2)C1	ZINC000271786118	387447199	/nfs/dbraw/zinc/44/71/99/387447199.db2.gz	TVYRFOAVVBITLE-UHFFFAOYSA-N	0	1	228.295	0.811	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000273533081	387459816	/nfs/dbraw/zinc/45/98/16/387459816.db2.gz	WSQCABVTNJILNK-VHSXEESVSA-N	0	1	212.293	0.134	20	30		BCEDMN
CC#CCNC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000275905367	387514967	/nfs/dbraw/zinc/51/49/67/387514967.db2.gz	COHXNAQDCSUGCK-UHFFFAOYSA-N	0	1	243.270	0.563	20	30		BCEDMN
C=CCC1(C(=O)N2CCNCC2)CCOCC1	ZINC000424064508	387474698	/nfs/dbraw/zinc/47/46/98/387474698.db2.gz	ZPWLDAXYJVDSME-UHFFFAOYSA-N	0	1	238.331	0.791	20	30		BCEDMN
CNC(=O)[C@]1(C)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000430270573	387605314	/nfs/dbraw/zinc/60/53/14/387605314.db2.gz	RYSGNHHXTOCNGA-DGCLKSJQSA-N	0	1	248.330	0.888	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CCO[C@@H]2C)nn1	ZINC000424172094	387864288	/nfs/dbraw/zinc/86/42/88/387864288.db2.gz	NHYFSDAMPAANLA-MWLCHTKSSA-N	0	1	222.292	0.731	20	30		BCEDMN
COC[C@H](C(N)=O)N(C)CCCSCC#N	ZINC000339356147	135071966	/nfs/dbraw/zinc/07/19/66/135071966.db2.gz	BCMPFIHOVGUQDA-SECBINFHSA-N	0	1	245.348	0.065	20	30		BCEDMN
C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1	ZINC000424467952	388012139	/nfs/dbraw/zinc/01/21/39/388012139.db2.gz	NITIIADPLMGGCM-OUAUKWLOSA-N	0	1	236.319	0.682	20	30		BCEDMN
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000046601848	388034505	/nfs/dbraw/zinc/03/45/05/388034505.db2.gz	YLQFFJMNAMJXBV-LBPRGKRZSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=CCCC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1	ZINC000456207268	388184894	/nfs/dbraw/zinc/18/48/94/388184894.db2.gz	GGLFQYASDSSBCC-TXEJJXNPSA-N	0	1	240.347	0.866	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CCc1cnc[nH]1	ZINC000490739580	388250385	/nfs/dbraw/zinc/25/03/85/388250385.db2.gz	JFHUWRLEQJVVJU-VIFPVBQESA-N	0	1	205.261	0.822	20	30		BCEDMN
C#C[C@H](C)N(C)S(=O)(=O)CCN1CCCC1	ZINC000490740028	388250472	/nfs/dbraw/zinc/25/04/72/388250472.db2.gz	IDENEJXLGFXIQM-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C=C(Cl)CNC(=O)C[C@@H]1COCCN1	ZINC000167959660	388256581	/nfs/dbraw/zinc/25/65/81/388256581.db2.gz	INLJDMPDUYMESX-MRVPVSSYSA-N	0	1	218.684	0.234	20	30		BCEDMN
C#CCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C	ZINC000490893157	388258196	/nfs/dbraw/zinc/25/81/96/388258196.db2.gz	RPRYTYBAQXBCQQ-WDEREUQCSA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCOCC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000488991204	388201093	/nfs/dbraw/zinc/20/10/93/388201093.db2.gz	ZXDFSJCLGVBPDO-SECBINFHSA-N	0	1	237.303	0.968	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)COCC	ZINC000490616917	388243111	/nfs/dbraw/zinc/24/31/11/388243111.db2.gz	MGUCFPCVLJZPHV-NSHDSACASA-N	0	1	225.288	0.664	20	30		BCEDMN
C#CCNC(=O)N1CCN(C2CCC2)CC1	ZINC000490655677	388245637	/nfs/dbraw/zinc/24/56/37/388245637.db2.gz	BPKPGIIRCITOOD-UHFFFAOYSA-N	0	1	221.304	0.499	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(COC)CC1	ZINC000490652433	388246123	/nfs/dbraw/zinc/24/61/23/388246123.db2.gz	XJQNSGVGJJSGHF-LLVKDONJSA-N	0	1	238.331	0.483	20	30		BCEDMN
C=C(C)CCN1C[C@@H](O)C[C@@H]1C(=O)OC	ZINC000164828410	388248253	/nfs/dbraw/zinc/24/82/53/388248253.db2.gz	GVOAVUKPTKXLTE-VHSXEESVSA-N	0	1	213.277	0.561	20	30		BCEDMN
C#CCN(CC#C)CC[C@@H]1CCNC1=O	ZINC000491361934	388288055	/nfs/dbraw/zinc/28/80/55/388288055.db2.gz	OHTHYDMKTANMLZ-NSHDSACASA-N	0	1	204.273	0.081	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)COc1cccc(C)c1	ZINC000491484988	388298115	/nfs/dbraw/zinc/29/81/15/388298115.db2.gz	MERLHMTWAHMBDY-OLZOCXBDSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCNC(=O)CCNCc1cnccc1OC	ZINC000491525636	388301264	/nfs/dbraw/zinc/30/12/64/388301264.db2.gz	TYQWETOKOXOWHZ-UHFFFAOYSA-N	0	1	247.298	0.319	20	30		BCEDMN
C#CCN(CCN1CCOCC1)C1CC1	ZINC000491619314	388305106	/nfs/dbraw/zinc/30/51/06/388305106.db2.gz	FSUPVHKUMMDKQH-UHFFFAOYSA-N	0	1	208.305	0.416	20	30		BCEDMN
C#CCN(C)CCCNC(=O)[C@H]1CCC(=O)C1	ZINC000491636827	388307304	/nfs/dbraw/zinc/30/73/04/388307304.db2.gz	VEOOWRGOMCOWSE-NSHDSACASA-N	0	1	236.315	0.427	20	30		BCEDMN
C#CCNC(=O)[C@@H](N)c1ccccc1C	ZINC000491672907	388309749	/nfs/dbraw/zinc/30/97/49/388309749.db2.gz	ZELZXBMYVMUQEO-NSHDSACASA-N	0	1	202.257	0.744	20	30		BCEDMN
C#CCN(C)C(=O)NCCN1CC=C(C)CC1	ZINC000491700193	388312593	/nfs/dbraw/zinc/31/25/93/388312593.db2.gz	SKEAHGQTJWXBEH-UHFFFAOYSA-N	0	1	235.331	0.913	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](OC(C)C)C1	ZINC000491700774	388312679	/nfs/dbraw/zinc/31/26/79/388312679.db2.gz	PCKPXPGVJAUUDA-NWDGAFQWSA-N	0	1	238.331	0.624	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CCCCc1cn[nH]n1	ZINC000491711643	388314017	/nfs/dbraw/zinc/31/40/17/388314017.db2.gz	WWIYVSMCZVFPKA-JTQLQIEISA-N	0	1	234.303	0.998	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H](C)N1CC(C)C1	ZINC000491747033	388317251	/nfs/dbraw/zinc/31/72/51/388317251.db2.gz	VZGIVJZCFNYQHI-LBPRGKRZSA-N	0	1	218.300	0.422	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCO[C@@H](C2CC2)C1	ZINC000491775098	388319500	/nfs/dbraw/zinc/31/95/00/388319500.db2.gz	UZVFUZAIEXOCBA-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@@H](C2CC2)C1	ZINC000491775098	388319501	/nfs/dbraw/zinc/31/95/01/388319501.db2.gz	UZVFUZAIEXOCBA-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCO[C@H](C2CC2)C1	ZINC000491775099	388319688	/nfs/dbraw/zinc/31/96/88/388319688.db2.gz	UZVFUZAIEXOCBA-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](C2CC2)C1	ZINC000491775099	388319689	/nfs/dbraw/zinc/31/96/89/388319689.db2.gz	UZVFUZAIEXOCBA-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)c1cn[nH]c1-c1ccccn1	ZINC000491781602	388320536	/nfs/dbraw/zinc/32/05/36/388320536.db2.gz	MVCFAQKQTALNDQ-UHFFFAOYSA-N	0	1	226.239	0.835	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CCC(CC)CC2)C1=O	ZINC000491781696	388320663	/nfs/dbraw/zinc/32/06/63/388320663.db2.gz	GSRVHAXJMQBSMB-LBPRGKRZSA-N	0	1	248.326	0.869	20	30		BCEDMN
C#CCNC(=O)CCNCc1cnc(C)o1	ZINC000491783564	388320666	/nfs/dbraw/zinc/32/06/66/388320666.db2.gz	PMZJSLKMJYSLLD-UHFFFAOYSA-N	0	1	221.260	0.212	20	30		BCEDMN
C#CCN1CCC(N2CN=NC2=O)CC1	ZINC000491803988	388321517	/nfs/dbraw/zinc/32/15/17/388321517.db2.gz	KAYKDJBAXHXBKB-UHFFFAOYSA-N	0	1	206.249	0.254	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@H](C)O)CC1	ZINC000491072987	388267656	/nfs/dbraw/zinc/26/76/56/388267656.db2.gz	WUQZTRATEIHYGO-JTQLQIEISA-N	0	1	225.288	0.256	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCF)CC1	ZINC000491095591	388269260	/nfs/dbraw/zinc/26/92/60/388269260.db2.gz	LXBKDZUGCORRGH-UHFFFAOYSA-N	0	1	213.252	0.844	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1C1CC1	ZINC000491120977	388270695	/nfs/dbraw/zinc/27/06/95/388270695.db2.gz	OWRKAFZWGXETHX-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC[C@@H]1C1CC1	ZINC000491120977	388270698	/nfs/dbraw/zinc/27/06/98/388270698.db2.gz	OWRKAFZWGXETHX-GFCCVEGCSA-N	0	1	236.315	0.237	20	30		BCEDMN
Cc1nc(C(=O)N2CC(N(C)C)C2)ccc1C#N	ZINC000270850570	388368045	/nfs/dbraw/zinc/36/80/45/388368045.db2.gz	PWYVEHLJXYPYJT-UHFFFAOYSA-N	0	1	244.298	0.648	20	30		BCEDMN
N#C[C@H]1CC[C@@H](Nc2ccncc2C(N)=O)C1	ZINC000572715516	388370076	/nfs/dbraw/zinc/37/00/76/388370076.db2.gz	QJOYFULYEJHGPO-DTWKUNHWSA-N	0	1	230.271	0.707	20	30		BCEDMN
CC#CCCNC(=O)[C@@H](C)N1CC(C)C1	ZINC000572733698	388371780	/nfs/dbraw/zinc/37/17/80/388371780.db2.gz	JQPUIJFJFKLSNZ-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN1CCC(C)(C)C1	ZINC000572778236	388375709	/nfs/dbraw/zinc/37/57/09/388375709.db2.gz	BPYNJWAIKQEKTD-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1c1cc(C#N)ncn1	ZINC000549253944	388381386	/nfs/dbraw/zinc/38/13/86/388381386.db2.gz	KWBMGPKLZNTSQC-LLVKDONJSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C2CCCC2)CC1	ZINC000646642896	388399823	/nfs/dbraw/zinc/39/98/23/388399823.db2.gz	PFZAVHVAEZPIOW-LBPRGKRZSA-N	0	1	238.331	0.620	20	30		BCEDMN
N#CCCC[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175244972	388428159	/nfs/dbraw/zinc/42/81/59/388428159.db2.gz	LDINPFOLVOKYCI-SNVBAGLBSA-N	0	1	209.293	0.878	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCOCC1CC1	ZINC000088600308	388533148	/nfs/dbraw/zinc/53/31/48/388533148.db2.gz	NYAMRDGLBQQMFI-NSHDSACASA-N	0	1	238.331	0.483	20	30		BCEDMN
CC(C)COC[C@@H](O)CNCC1(C#N)CC1	ZINC000517025941	388533837	/nfs/dbraw/zinc/53/38/37/388533837.db2.gz	UYTNWZGMUVUCGU-NSHDSACASA-N	0	1	226.320	0.913	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](OC)C1	ZINC000189284404	388628946	/nfs/dbraw/zinc/62/89/46/388628946.db2.gz	SIURKLSFNPOYBO-WOPDTQHZSA-N	0	1	238.331	0.481	20	30		BCEDMN
C[N@@H+](CCNC(=O)c1ccc(C#N)nc1)C1CC1	ZINC000359963545	388632537	/nfs/dbraw/zinc/63/25/37/388632537.db2.gz	JXWQSOXPHYEHJQ-UHFFFAOYSA-N	0	1	244.298	0.777	20	30		BCEDMN
Cc1cc(NCCN2CCC2)c(C#N)cn1	ZINC000515834068	388651903	/nfs/dbraw/zinc/65/19/03/388651903.db2.gz	NDQSJOTZCQFBJM-UHFFFAOYSA-N	0	1	216.288	0.801	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@@](O)(CO)C2)c1	ZINC000313679162	388685663	/nfs/dbraw/zinc/68/56/63/388685663.db2.gz	LWWQKOMLBIHIEK-AWEZNQCLSA-N	0	1	246.310	0.877	20	30		BCEDMN
C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000517395655	388661018	/nfs/dbraw/zinc/66/10/18/388661018.db2.gz	LZEXNSOBGABQGS-SSDOTTSWSA-N	0	1	243.288	0.024	20	30		BCEDMN
Cc1cc(C[C@H](C)Nc2ccnc(C#N)n2)[nH]n1	ZINC000517589000	388661479	/nfs/dbraw/zinc/66/14/79/388661479.db2.gz	XDTZKXWRFIPZHW-QMMMGPOBSA-N	0	1	242.286	0.845	20	30		BCEDMN
Cc1nnc(NCCc2nc[nH]n2)c(C#N)c1C	ZINC000124089884	388740501	/nfs/dbraw/zinc/74/05/01/388740501.db2.gz	NKGPHEWIOPLAHN-UHFFFAOYSA-N	0	1	243.274	0.738	20	30		BCEDMN
Cc1nc(N(C)Cc2n[nH]c(=O)o2)ccc1C#N	ZINC000425286965	388703074	/nfs/dbraw/zinc/70/30/74/388703074.db2.gz	VIVBZXATEFAMDK-UHFFFAOYSA-N	0	1	245.242	0.987	20	30		BCEDMN
C=CCCCCCN1CCN(C(=O)CO)CC1	ZINC000193452540	388705108	/nfs/dbraw/zinc/70/51/08/388705108.db2.gz	BGNUXVYGXKYSQA-UHFFFAOYSA-N	0	1	240.347	0.869	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@H]1CCSC1	ZINC000126919236	388709338	/nfs/dbraw/zinc/70/93/38/388709338.db2.gz	PRBDEFYPNYNUEX-VIFPVBQESA-N	0	1	212.318	0.173	20	30		BCEDMN
CC#CCCNC(=O)CSc1nnc(C)[nH]1	ZINC000541745551	388865874	/nfs/dbraw/zinc/86/58/74/388865874.db2.gz	CUUOKYPBNRXIMA-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
CC#CCCNC(=O)CSc1nc(C)n[nH]1	ZINC000541745551	388865876	/nfs/dbraw/zinc/86/58/76/388865876.db2.gz	CUUOKYPBNRXIMA-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
CN1C(=O)C[C@H](N2CCC(CC#N)CC2)C1=O	ZINC000541906117	388875192	/nfs/dbraw/zinc/87/51/92/388875192.db2.gz	WZACNCZJJYYSJA-JTQLQIEISA-N	0	1	235.287	0.369	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000565103540	388914840	/nfs/dbraw/zinc/91/48/40/388914840.db2.gz	GGMZNZFYRGXVMK-GARJFASQSA-N	0	1	243.303	0.487	20	30		BCEDMN
COC(=O)[C@@](C)(NC(=O)C(C)C#N)C1CC1	ZINC000565573348	388954255	/nfs/dbraw/zinc/95/42/55/388954255.db2.gz	LEVVYQWIITZENB-CPCISQLKSA-N	0	1	224.260	0.604	20	30		BCEDMN
OCC#CCNC[C@H](O)COc1ccccc1	ZINC000565598835	388957234	/nfs/dbraw/zinc/95/72/34/388957234.db2.gz	ZGCREYOAJSXKLO-LBPRGKRZSA-N	0	1	235.283	0.012	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1ccn(C)c1	ZINC000272841641	389034693	/nfs/dbraw/zinc/03/46/93/389034693.db2.gz	MYQCUIWBMFZWPT-UHFFFAOYSA-N	0	1	242.344	0.716	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1cccn1C	ZINC000272822622	389036067	/nfs/dbraw/zinc/03/60/67/389036067.db2.gz	JGNOSDJFDDVCQC-UHFFFAOYSA-N	0	1	242.344	0.716	20	30		BCEDMN
C[C@H](O)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000282092908	132211985	/nfs/dbraw/zinc/21/19/85/132211985.db2.gz	VKIJYJRVWXMNOV-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
N#Cc1cccc(N2CCN(CCCO)CC2)n1	ZINC000301817462	132258098	/nfs/dbraw/zinc/25/80/98/132258098.db2.gz	FFVBUQYNHYRLER-UHFFFAOYSA-N	0	1	246.314	0.458	20	30		BCEDMN
CNC(=O)[C@@H](C)CN(C)CC1(C#N)CC1	ZINC000331792090	134002455	/nfs/dbraw/zinc/00/24/55/134002455.db2.gz	VHJMKSPRRUXDGM-VIFPVBQESA-N	0	1	209.293	0.604	20	30		BCEDMN
C=CCN1CC[C@H](N2CCOC[C@@H](C)C2)C1=O	ZINC000335920506	134007045	/nfs/dbraw/zinc/00/70/45/134007045.db2.gz	MMQDUHXHWAFRKK-RYUDHWBXSA-N	0	1	238.331	0.742	20	30		BCEDMN
C[C@H]1CCSCC[N@H+]1CC(=O)NCC#N	ZINC000335937747	134013362	/nfs/dbraw/zinc/01/33/62/134013362.db2.gz	KBMSZTIUSNLCMB-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
C[C@H]1CCSCCN1CC(=O)NCC#N	ZINC000335937747	134013363	/nfs/dbraw/zinc/01/33/63/134013363.db2.gz	KBMSZTIUSNLCMB-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
C=C(C)CN1CCC[C@H](S(=O)(=O)N(C)C)C1	ZINC000335942874	134018493	/nfs/dbraw/zinc/01/84/93/134018493.db2.gz	UJNLZWFOJIKXHL-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C[C@H]1C[C@]1(C#N)C(=O)N1CC(N(C)C)C1	ZINC000336203255	134131215	/nfs/dbraw/zinc/13/12/15/134131215.db2.gz	PMKPHZNYOSYISR-GZMMTYOYSA-N	0	1	207.277	0.309	20	30		BCEDMN
CCNC(=O)CCN1CCC(F)(C#N)CC1	ZINC000352468653	134146276	/nfs/dbraw/zinc/14/62/76/134146276.db2.gz	UHKOQHKLSVMFDY-UHFFFAOYSA-N	0	1	227.283	0.840	20	30		BCEDMN
C[C@@H]1CCN(C)CCN1C(=O)CSCC#N	ZINC000336520192	134149034	/nfs/dbraw/zinc/14/90/34/134149034.db2.gz	IYZZMMIMMIQBPP-SNVBAGLBSA-N	0	1	241.360	0.796	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)NCCC#N	ZINC000331157044	134150320	/nfs/dbraw/zinc/15/03/20/134150320.db2.gz	QBILMVBJNLJDCC-UHFFFAOYSA-N	0	1	207.237	0.635	20	30		BCEDMN
C=CCNC(=O)NCCN1CC=CCC1	ZINC000353187098	134162314	/nfs/dbraw/zinc/16/23/14/134162314.db2.gz	ZMCWDUGALRIRJH-UHFFFAOYSA-N	0	1	209.293	0.734	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc2c(c1)NC(=O)CO2	ZINC000353562554	134164367	/nfs/dbraw/zinc/16/43/67/134164367.db2.gz	BEJOVQFCQIZIMP-SNVBAGLBSA-N	0	1	248.282	0.654	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCCc2c[nH]nc21	ZINC000367195646	134172496	/nfs/dbraw/zinc/17/24/96/134172496.db2.gz	NKZOVYPWDJKFOX-LLVKDONJSA-N	0	1	242.282	0.815	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1C[C@H](C)N(C)C[C@H]1C	ZINC000355508275	134173582	/nfs/dbraw/zinc/17/35/82/134173582.db2.gz	KQKCZGRWCWTWID-LOWVWBTDSA-N	0	1	240.347	0.865	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN(C(C)=O)C[C@@H]1C	ZINC000357309352	134182762	/nfs/dbraw/zinc/18/27/62/134182762.db2.gz	TYRMDTXNWUVLKA-AAEUAGOBSA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@H](C#N)NC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000357652221	134184847	/nfs/dbraw/zinc/18/48/47/134184847.db2.gz	WMRXLEPCCRBIRC-ZCFIWIBFSA-N	0	1	235.199	0.942	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)NCCc1nc[nH]n1	ZINC000359757413	134196824	/nfs/dbraw/zinc/19/68/24/134196824.db2.gz	STAYMRAWUKHRLE-SECBINFHSA-N	0	1	238.291	0.445	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000360214211	134199483	/nfs/dbraw/zinc/19/94/83/134199483.db2.gz	ADMAUGNNDKZIOM-GHMZBOCLSA-N	0	1	246.376	0.965	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@@H]2CCOC(=O)[C@@H]21	ZINC000368376488	134218296	/nfs/dbraw/zinc/21/82/96/134218296.db2.gz	FHGTVXLDWCJWLY-GRYCIOLGSA-N	0	1	239.315	0.951	20	30		BCEDMN
C#CCN1CCN(C2(C(N)=O)CCCCC2)CC1	ZINC000369325714	134222290	/nfs/dbraw/zinc/22/22/90/134222290.db2.gz	YPVAUMVUVWYMPY-UHFFFAOYSA-N	0	1	249.358	0.425	20	30		BCEDMN
CCN(CCO)[C@H](C)C(=O)N(C)CCC#N	ZINC000120017925	134227147	/nfs/dbraw/zinc/22/71/47/134227147.db2.gz	UNAHVRAVSIIBDW-SNVBAGLBSA-N	0	1	227.308	0.061	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCOC[C@H](C)C1	ZINC000371097925	134227231	/nfs/dbraw/zinc/22/72/31/134227231.db2.gz	DQDMPAJRBDKFQP-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000373193119	134233685	/nfs/dbraw/zinc/23/36/85/134233685.db2.gz	XSRFJTPQBUEMPW-BBBLOLIVSA-N	0	1	247.302	0.916	20	30		BCEDMN
N#CCCCN1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC000374175367	134236061	/nfs/dbraw/zinc/23/60/61/134236061.db2.gz	SQENLPZGSSKKTM-ZJUUUORDSA-N	0	1	223.276	0.720	20	30		BCEDMN
C=CCNC(=O)CN1CCC(c2c[nH]cn2)CC1	ZINC000374207258	134236389	/nfs/dbraw/zinc/23/63/89/134236389.db2.gz	IHSDXWABBVDTIW-UHFFFAOYSA-N	0	1	248.330	0.891	20	30		BCEDMN
N#CCNC(=O)CN[C@H](CCO)c1ccccc1	ZINC000305783352	134242663	/nfs/dbraw/zinc/24/26/63/134242663.db2.gz	WDYSKKSUPRRCCX-GFCCVEGCSA-N	0	1	247.298	0.339	20	30		BCEDMN
C[C@H](CNS(=O)(=O)[C@@H](C)C#N)N(C)C1CC1	ZINC000218109032	134251352	/nfs/dbraw/zinc/25/13/52/134251352.db2.gz	PQBFFZGQIWYNRO-BDAKNGLRSA-N	0	1	245.348	0.301	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000174551230	134282276	/nfs/dbraw/zinc/28/22/76/134282276.db2.gz	XFFKEFSZEYUAGW-IUCAKERBSA-N	0	1	238.291	0.963	20	30		BCEDMN
C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1nnc[nH]1	ZINC000176220441	134289650	/nfs/dbraw/zinc/28/96/50/134289650.db2.gz	KVFWEXORFCHJTH-ZCFIWIBFSA-N	0	1	230.231	0.495	20	30		BCEDMN
CNC(=O)[C@H](C)CN(C)C[C@H](C#N)CCC#N	ZINC000177043176	134294346	/nfs/dbraw/zinc/29/43/46/134294346.db2.gz	VHSCISIHHAFASY-MNOVXSKESA-N	0	1	236.319	0.744	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@@](C)(O)C1	ZINC000177970546	134302357	/nfs/dbraw/zinc/30/23/57/134302357.db2.gz	OSTPBWABGAPWBN-GFCCVEGCSA-N	0	1	239.319	0.205	20	30		BCEDMN
C=C(C)CN(C)CCNS(=O)(=O)CC	ZINC000181333370	134335967	/nfs/dbraw/zinc/33/59/67/134335967.db2.gz	UEEDIJSIEOAGJD-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
C=CCNC(=O)CN1CCCO[C@H]2CCC[C@H]21	ZINC000363412592	134398685	/nfs/dbraw/zinc/39/86/85/134398685.db2.gz	QXKIVACJRFBVPA-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCSCCNC(=O)NCCN1CCC1	ZINC000337431223	135015632	/nfs/dbraw/zinc/01/56/32/135015632.db2.gz	UZGUWRMYGBKPLS-UHFFFAOYSA-N	0	1	243.376	0.911	20	30		BCEDMN
C=CCOCCCN1CC[C@H](S(C)(=O)=O)C1	ZINC000337463089	135016674	/nfs/dbraw/zinc/01/66/74/135016674.db2.gz	QSHDWGPTEYVRDE-NSHDSACASA-N	0	1	247.360	0.698	20	30		BCEDMN
N#CCCCCNC(=O)NCCN1CCC1	ZINC000337733375	135021787	/nfs/dbraw/zinc/02/17/87/135021787.db2.gz	YVLHUQCLIPDWAL-UHFFFAOYSA-N	0	1	224.308	0.685	20	30		BCEDMN
C[C@H]1CCN(CCCC#N)[C@@H](C(N)=O)C1	ZINC000249549245	135040547	/nfs/dbraw/zinc/04/05/47/135040547.db2.gz	HGVJOIIBBRMJSW-VHSXEESVSA-N	0	1	209.293	0.876	20	30		BCEDMN
C[C@@H]1CCN(CCCC#N)[C@@H](C(N)=O)C1	ZINC000249549243	135041176	/nfs/dbraw/zinc/04/11/76/135041176.db2.gz	HGVJOIIBBRMJSW-NXEZZACHSA-N	0	1	209.293	0.876	20	30		BCEDMN
C=CCC[C@@H](O)CN1CC[C@](F)(CO)C1	ZINC000338586966	135041854	/nfs/dbraw/zinc/04/18/54/135041854.db2.gz	KSQWGVJNFNMBAP-GHMZBOCLSA-N	0	1	217.284	0.720	20	30		BCEDMN
C[C@@H]1CCN(CCOCCC#N)[C@@H](C(N)=O)C1	ZINC000339100194	135060282	/nfs/dbraw/zinc/06/02/82/135060282.db2.gz	VUTZMDRJODHMHR-GHMZBOCLSA-N	0	1	239.319	0.502	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](C)N(C)[C@@H](C)C1	ZINC000339623186	135076732	/nfs/dbraw/zinc/07/67/32/135076732.db2.gz	SAADAYNICWRUMK-QWRGUYRKSA-N	0	1	225.336	0.313	20	30		BCEDMN
C=C(C)CN1CCN([C@H]2CCOC2)CC1	ZINC000366540292	135088421	/nfs/dbraw/zinc/08/84/21/135088421.db2.gz	WJLNTOPRCJPHBM-LBPRGKRZSA-N	0	1	210.321	0.969	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCN1C	ZINC000259795491	135144532	/nfs/dbraw/zinc/14/45/32/135144532.db2.gz	BUNPPAHQQFRJFV-ZJUUUORDSA-N	0	1	209.293	0.841	20	30		BCEDMN
Cc1nnc(SCC(=O)N[C@@H](C)CC#N)[nH]1	ZINC000266817396	135150196	/nfs/dbraw/zinc/15/01/96/135150196.db2.gz	HFBLJBXDFRMMPI-LURJTMIESA-N	0	1	239.304	0.624	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N[C@@H](C)CC#N)n1	ZINC000266817396	135150198	/nfs/dbraw/zinc/15/01/98/135150198.db2.gz	HFBLJBXDFRMMPI-LURJTMIESA-N	0	1	239.304	0.624	20	30		BCEDMN
CCc1cc(C(=O)N2CCOC[C@H]2C#N)n[nH]1	ZINC000267244500	135152881	/nfs/dbraw/zinc/15/28/81/135152881.db2.gz	YINWHLJPUPMMMK-SECBINFHSA-N	0	1	234.259	0.337	20	30		BCEDMN
Cc1ncc(C(=O)N(CCC#N)CCC#N)[nH]1	ZINC000270125792	135169397	/nfs/dbraw/zinc/16/93/97/135169397.db2.gz	RWDMXIARLQVUNM-UHFFFAOYSA-N	0	1	231.259	0.988	20	30		BCEDMN
CC(C)c1nc(CN2CCO[C@@H](C#N)C2)n[nH]1	ZINC000292560050	135177103	/nfs/dbraw/zinc/17/71/03/135177103.db2.gz	ROKIGSHVWPLLBA-VIFPVBQESA-N	0	1	235.291	0.652	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000292623039	135177535	/nfs/dbraw/zinc/17/75/35/135177535.db2.gz	YFLMARFDHNQJNE-JTQLQIEISA-N	0	1	249.230	0.740	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000299627890	135205964	/nfs/dbraw/zinc/20/59/64/135205964.db2.gz	GAAUGRFNEAUINI-ZETCQYMHSA-N	0	1	218.260	0.930	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@H](O)C[C@H]1C	ZINC000340921267	135232704	/nfs/dbraw/zinc/23/27/04/135232704.db2.gz	KYBPSZKKTGUCAZ-GHMZBOCLSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]1C#N	ZINC000342507951	135285017	/nfs/dbraw/zinc/28/50/17/135285017.db2.gz	ZYWUDCBNTQQXJO-FRRDWIJNSA-N	0	1	237.347	0.989	20	30		BCEDMN
[NH2+]=C(NCc1ncccc1[O-])NC1CC1	ZINC000262361446	135297002	/nfs/dbraw/zinc/29/70/02/135297002.db2.gz	KJWJWWFGTNKTFZ-UHFFFAOYSA-N	0	1	206.249	0.354	20	30		BCEDMN
C=CCNC(=O)CN(C)CC[C@H]1CCCO1	ZINC000342612644	135303466	/nfs/dbraw/zinc/30/34/66/135303466.db2.gz	YJSZDENZDPMWCP-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000342689248	135305577	/nfs/dbraw/zinc/30/55/77/135305577.db2.gz	NQEWNJFUVYSMOG-SSDOTTSWSA-N	0	1	223.280	0.913	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1CCN(C)CC[C@@H]1C	ZINC000334166545	135323939	/nfs/dbraw/zinc/32/39/39/135323939.db2.gz	AQJIULIILQCLQG-UWVGGRQHSA-N	0	1	209.293	0.699	20	30		BCEDMN
CN(CC#Cc1ccccc1)CCOCCO	ZINC000282598979	135372218	/nfs/dbraw/zinc/37/22/18/135372218.db2.gz	WENBWEASLSEYSW-UHFFFAOYSA-N	0	1	233.311	0.979	20	30		BCEDMN
C=CCOCCSc1nc(N)cc(N)n1	ZINC000292558041	135376052	/nfs/dbraw/zinc/37/60/52/135376052.db2.gz	CSYZLUWIHAZCKB-UHFFFAOYSA-N	0	1	226.305	0.936	20	30		BCEDMN
CN(CCOCCC#N)Cc1cnn(C)c1	ZINC000293559846	135376239	/nfs/dbraw/zinc/37/62/39/135376239.db2.gz	RWEATKWKZWNICH-UHFFFAOYSA-N	0	1	222.292	0.782	20	30		BCEDMN
N#CCNC(=O)c1cc(F)cc2nc[nH]c21	ZINC000334384614	135381107	/nfs/dbraw/zinc/38/11/07/135381107.db2.gz	INOQWBMARKPSCX-UHFFFAOYSA-N	0	1	218.191	0.955	20	30		BCEDMN
C[C@@H](CN(C)C)NS(=O)(=O)CC1(C#N)CC1	ZINC000344890076	135805221	/nfs/dbraw/zinc/80/52/21/135805221.db2.gz	SXOYKXPEZZJHPB-VIFPVBQESA-N	0	1	245.348	0.160	20	30		BCEDMN
CC#CCN1CCN([C@@H]2CCOC2)CC1	ZINC000367013118	136014701	/nfs/dbraw/zinc/01/47/01/136014701.db2.gz	JBYWMVYGTIMGPR-GFCCVEGCSA-N	0	1	208.305	0.416	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)C[C@H]1C(C)C	ZINC000348549317	136096047	/nfs/dbraw/zinc/09/60/47/136096047.db2.gz	CBFZSUPRGXQSKA-LBPRGKRZSA-N	0	1	239.363	0.561	20	30		BCEDMN
Cn1nncc1CN[C@H]1CC[C@@H](C#N)C1	ZINC000308914445	397843229	/nfs/dbraw/zinc/84/32/29/397843229.db2.gz	GQLHVKKFEIODMS-BDAKNGLRSA-N	0	1	205.265	0.597	20	30		BCEDMN
COC(=O)CCCN1CC[C@](O)(CC#N)C1	ZINC000592151734	397944940	/nfs/dbraw/zinc/94/49/40/397944940.db2.gz	QWNJJFLQFINPHP-LLVKDONJSA-N	0	1	226.276	0.290	20	30		BCEDMN
COC(=O)CCCN1CC[C@@](O)(CC#N)C1	ZINC000592151735	397944953	/nfs/dbraw/zinc/94/49/53/397944953.db2.gz	QWNJJFLQFINPHP-NSHDSACASA-N	0	1	226.276	0.290	20	30		BCEDMN
N#CC1CN(C(=O)CCCCc2cn[nH]n2)C1	ZINC000590484681	397893105	/nfs/dbraw/zinc/89/31/05/397893105.db2.gz	GMOYYCSFNOHZOU-UHFFFAOYSA-N	0	1	233.275	0.499	20	30		BCEDMN
Cc1ccnc(NCCn2cnc(C#N)n2)c1	ZINC000286481070	397995919	/nfs/dbraw/zinc/99/59/19/397995919.db2.gz	UXZKUAJEFYOQPE-UHFFFAOYSA-N	0	1	228.259	0.965	20	30		BCEDMN
C=CCCCCN(C)[C@@H](COC)C(N)=O	ZINC000649649860	398021091	/nfs/dbraw/zinc/02/10/91/398021091.db2.gz	KUYUSYPDZFAOBF-JTQLQIEISA-N	0	1	214.309	0.775	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)CC1(C#N)CC1	ZINC000598161273	398027515	/nfs/dbraw/zinc/02/75/15/398027515.db2.gz	PJRHODVZKZSIQH-UHFFFAOYSA-N	0	1	221.304	0.700	20	30		BCEDMN
COC(=O)COC[C@@H](C)NCC1(C#N)CCC1	ZINC000418138502	397988559	/nfs/dbraw/zinc/98/85/59/397988559.db2.gz	GGEGIHUJYAIGBY-SNVBAGLBSA-N	0	1	240.303	0.848	20	30		BCEDMN
CC(C)C[C@H](C#N)NC(=O)[C@@H](C)N(C)C	ZINC000602090816	398067173	/nfs/dbraw/zinc/06/71/73/398067173.db2.gz	SFJPUCLBMGKRQM-NXEZZACHSA-N	0	1	211.309	0.991	20	30		BCEDMN
C=CC[C@H](C)NC(=O)CCc1c[nH]nn1	ZINC000631344527	398075297	/nfs/dbraw/zinc/07/52/97/398075297.db2.gz	ROVHXLDWBCXDCS-QMMMGPOBSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=CC[C@H](C)NC(=O)CCc1cnn[nH]1	ZINC000631344527	398075301	/nfs/dbraw/zinc/07/53/01/398075301.db2.gz	ROVHXLDWBCXDCS-QMMMGPOBSA-N	0	1	208.265	0.818	20	30		BCEDMN
C#CCCNC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000268166904	166147126	/nfs/dbraw/zinc/14/71/26/166147126.db2.gz	RLIBXIQYLQWQEM-VIFPVBQESA-N	0	1	217.272	0.969	20	30		BCEDMN
C#CCCN1CC(=O)N[C@H]2CCCC[C@@H]21	ZINC000270657492	166136328	/nfs/dbraw/zinc/13/63/28/166136328.db2.gz	VBORIEAVLGBDMP-QWRGUYRKSA-N	0	1	206.289	0.753	20	30		BCEDMN
C#CCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000276989759	166158728	/nfs/dbraw/zinc/15/87/28/166158728.db2.gz	WBEFGMWHLVYHGY-UHFFFAOYSA-N	0	1	222.204	0.332	20	30		BCEDMN
C#CCNCC(=O)NCCc1ccc(F)cc1	ZINC000095081759	166187495	/nfs/dbraw/zinc/18/74/95/166187495.db2.gz	HYZJPSMUYHDOQU-UHFFFAOYSA-N	0	1	234.274	0.707	20	30		BCEDMN
C#CCOc1ccccc1CN1C[C@H](O)[C@@H](O)C1	ZINC000278413041	166200514	/nfs/dbraw/zinc/20/05/14/166200514.db2.gz	QGDWNCSTLFETOQ-STQMWFEESA-N	0	1	247.294	0.236	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H](C)CN1CCOCC1	ZINC000274789804	166210552	/nfs/dbraw/zinc/21/05/52/166210552.db2.gz	YAVYSOSOXBIMFN-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#C[C@@H](C)NCc1cnc(N(C)C)nc1	ZINC000289577775	166211915	/nfs/dbraw/zinc/21/19/15/166211915.db2.gz	SXTUISLNBOBIMH-SECBINFHSA-N	0	1	204.277	0.654	20	30		BCEDMN
C=CCC[C@H](O)CN(C)CC(=O)N(C)C	ZINC000268660021	166303507	/nfs/dbraw/zinc/30/35/07/166303507.db2.gz	RAYMVKUOTSGHIC-JTQLQIEISA-N	0	1	214.309	0.334	20	30		BCEDMN
C=CCN1CCN(CC=C)[C@H](C(=O)N(C)C)C1	ZINC000268485278	166355637	/nfs/dbraw/zinc/35/56/37/166355637.db2.gz	MJUSOLHXFKLXPT-LBPRGKRZSA-N	0	1	237.347	0.433	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H]1CC(=O)OC	ZINC000179129387	166365458	/nfs/dbraw/zinc/36/54/58/166365458.db2.gz	ORRBGSKJQDRTEP-SNVBAGLBSA-N	0	1	240.303	0.316	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](O)C(C)(C)C1	ZINC000275507180	166368740	/nfs/dbraw/zinc/36/87/40/166368740.db2.gz	SBCCQMCBCFQQAN-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1	ZINC000365105910	166381967	/nfs/dbraw/zinc/38/19/67/166381967.db2.gz	BQTBZHXFOGLVAG-ZWNOBZJWSA-N	0	1	238.331	0.524	20	30		BCEDMN
CCc1nc(NC(=O)c2cc(C#N)ccn2)n[nH]1	ZINC000354915791	411157343	/nfs/dbraw/zinc/15/73/43/411157343.db2.gz	FLRMWTWEVXKLET-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2cc(C#N)ccn2)n1	ZINC000354915791	411157348	/nfs/dbraw/zinc/15/73/48/411157348.db2.gz	FLRMWTWEVXKLET-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
C=CCNC(=O)CN[C@H]1CCCn2nccc21	ZINC000657954455	411180053	/nfs/dbraw/zinc/18/00/53/411180053.db2.gz	ZKJDLUMZSABGTO-JTQLQIEISA-N	0	1	234.303	0.610	20	30		BCEDMN
C#C[C@H](C)N(C)c1cc(-n2cccn2)nc(N)n1	ZINC000491617886	411224610	/nfs/dbraw/zinc/22/46/10/411224610.db2.gz	CZKSUHMXKBZPAD-VIFPVBQESA-N	0	1	242.286	0.702	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)N(C)C	ZINC000653943459	411241951	/nfs/dbraw/zinc/24/19/51/411241951.db2.gz	JVIPKZUMRNEKAK-AXFHLTTASA-N	0	1	226.320	0.786	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)[C@@]2(C)CNCCO2)C1	ZINC000602532220	411296016	/nfs/dbraw/zinc/29/60/16/411296016.db2.gz	DYNFFMPSJTUWSK-NWDGAFQWSA-N	0	1	237.303	0.127	20	30		BCEDMN
CCC#C[C@@H](C)N1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000656581497	411304101	/nfs/dbraw/zinc/30/41/01/411304101.db2.gz	YFWSOMISKXYIBN-WOPDTQHZSA-N	0	1	236.315	0.378	20	30		BCEDMN
N#Cc1nc(NCc2nnc[nH]2)ccc1Cl	ZINC000336660739	411313984	/nfs/dbraw/zinc/31/39/84/411313984.db2.gz	CNHJHFQOPFAWLE-UHFFFAOYSA-N	0	1	234.650	1.337	20	30		BCEDMN
C=CCn1cc(CN2CCN(C)CC2)nn1	ZINC000656445336	411253460	/nfs/dbraw/zinc/25/34/60/411253460.db2.gz	BVAYXPRBBQUUJN-UHFFFAOYSA-N	0	1	221.308	0.212	20	30		BCEDMN
C=CCn1cc([C@H](N)[C@H]2CCCO2)nn1	ZINC000656445849	411254433	/nfs/dbraw/zinc/25/44/33/411254433.db2.gz	WZSQRBPAKPQRDO-ZJUUUORDSA-N	0	1	208.265	0.643	20	30		BCEDMN
C=CCCNC(=O)[C@@H](N)COC(C)C	ZINC000659336744	411365142	/nfs/dbraw/zinc/36/51/42/411365142.db2.gz	CGIOKEWRELEPPV-VIFPVBQESA-N	0	1	200.282	0.431	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@H](C)N(C)C	ZINC000654297443	411367101	/nfs/dbraw/zinc/36/71/01/411367101.db2.gz	BOUHOWATNIIQQS-UWVGGRQHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCC(F)(F)F	ZINC000662166251	411370368	/nfs/dbraw/zinc/37/03/68/411370368.db2.gz	XJYPIPGNQYEWFX-NKWVEPMBSA-N	0	1	240.225	0.190	20	30		BCEDMN
C=CCOCCCNC(=O)C[C@H]1COCCN1	ZINC000659358769	411374774	/nfs/dbraw/zinc/37/47/74/411374774.db2.gz	LHHXDWOYUQWKOY-NSHDSACASA-N	0	1	242.319	0.074	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](C)[C@H](C)CO)nn1	ZINC000653615290	411440630	/nfs/dbraw/zinc/44/06/30/411440630.db2.gz	ATXLCKWLIUCDDB-MNOVXSKESA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCCn1cc(CN[C@H](CC)CO)nn1	ZINC000657286725	411446066	/nfs/dbraw/zinc/44/60/66/411446066.db2.gz	SCAQYFRKZCPEAT-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCCn1cc(CNCC(C)(C)O)nn1	ZINC000657356706	411477734	/nfs/dbraw/zinc/47/77/34/411477734.db2.gz	POOKDQOSWPIFGB-UHFFFAOYSA-N	0	1	224.308	0.715	20	30		BCEDMN
CC#CCN(C)C(=O)N[C@H]1CCCN(C)C1	ZINC000655132171	411501414	/nfs/dbraw/zinc/50/14/14/411501414.db2.gz	AZHHVIAWGYHCCV-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cc2n(n1)CCC2	ZINC000657436391	411508795	/nfs/dbraw/zinc/50/87/95/411508795.db2.gz	TZVSZRPLORDAOL-JTQLQIEISA-N	0	1	221.304	0.856	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCN[C@H](C(C)C)C1	ZINC000660187269	411552528	/nfs/dbraw/zinc/55/25/28/411552528.db2.gz	CZIBUZGYRTWYAK-NSHDSACASA-N	0	1	246.376	0.822	20	30		BCEDMN
COCC#CCN1CCC(c2nc(N)n[nH]2)CC1	ZINC000660568331	411601720	/nfs/dbraw/zinc/60/17/20/411601720.db2.gz	XGNMFZQTLZULPG-UHFFFAOYSA-N	0	1	249.318	0.216	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CON(CC)C1=O	ZINC000660722468	411618832	/nfs/dbraw/zinc/61/88/32/411618832.db2.gz	IVXWJHQVGZBOMF-BBBLOLIVSA-N	0	1	226.276	0.082	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000660846534	411657870	/nfs/dbraw/zinc/65/78/70/411657870.db2.gz	KTFBQWHKTLQKMJ-QMMMGPOBSA-N	0	1	227.264	0.534	20	30		BCEDMN
COCC#CCN1CCC[C@@](CO)(OC)C1	ZINC000661392924	411767255	/nfs/dbraw/zinc/76/72/55/411767255.db2.gz	JBKILPCWVNORRF-GFCCVEGCSA-N	0	1	227.304	0.110	20	30		BCEDMN
CCc1nc(CNc2ccc(C#N)c(N)n2)n[nH]1	ZINC000582976550	411785841	/nfs/dbraw/zinc/78/58/41/411785841.db2.gz	XFZIJMNTFROYFK-UHFFFAOYSA-N	0	1	243.274	0.828	20	30		BCEDMN
C=CCOCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000661595515	411810706	/nfs/dbraw/zinc/81/07/06/411810706.db2.gz	CFZTUADJRHXKQT-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@](O)(C2CC2)C1	ZINC000661637828	411828090	/nfs/dbraw/zinc/82/80/90/411828090.db2.gz	ZAUFXGXGFKTJCV-CYBMUJFWSA-N	0	1	238.331	0.526	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@](O)(C2CC2)C1	ZINC000661637830	411828208	/nfs/dbraw/zinc/82/82/08/411828208.db2.gz	ZAUFXGXGFKTJCV-ZDUSSCGKSA-N	0	1	238.331	0.526	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1	ZINC000661702479	411847051	/nfs/dbraw/zinc/84/70/51/411847051.db2.gz	PZJJFAUTIREODI-ZYHUDNBSSA-N	0	1	224.304	0.257	20	30		BCEDMN
C=C[C@H](CO)Nc1cc(-n2cccn2)nc(N)n1	ZINC000357608299	411852900	/nfs/dbraw/zinc/85/29/00/411852900.db2.gz	QXXJIBDLHYNTPP-MRVPVSSYSA-N	0	1	246.274	0.203	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@]2(O)C[C@H]2C1	ZINC000661714369	411855485	/nfs/dbraw/zinc/85/54/85/411855485.db2.gz	YMQBVHFBQCBHHO-JBLDHEPKSA-N	0	1	224.304	0.134	20	30		BCEDMN
CC#CCCNC(=O)N(C)Cc1cnc[nH]1	ZINC000664704826	412013264	/nfs/dbraw/zinc/01/32/64/412013264.db2.gz	XUOJCWHJQAHCRU-UHFFFAOYSA-N	0	1	220.276	0.965	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N[C@H](C)CC	ZINC000662165579	412014633	/nfs/dbraw/zinc/01/46/33/412014633.db2.gz	JPZPZGDUZCQILE-KXUCPTDWSA-N	0	1	214.309	0.426	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N(C)C(C)C	ZINC000662167065	412016080	/nfs/dbraw/zinc/01/60/80/412016080.db2.gz	QRHNHJHNRSRMFJ-NXEZZACHSA-N	0	1	214.309	0.378	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C)CC(F)(F)F	ZINC000662166827	412016154	/nfs/dbraw/zinc/01/61/54/412016154.db2.gz	IJHPTVRUUJBKOP-SSDOTTSWSA-N	0	1	240.225	0.144	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C(C)C)C(C)C	ZINC000662167400	412016234	/nfs/dbraw/zinc/01/62/34/412016234.db2.gz	CJBSKDRXJIBCDK-LLVKDONJSA-N	0	1	228.336	0.768	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N[C@H]1CCCC[C@@H]1C	ZINC000662167404	412016448	/nfs/dbraw/zinc/01/64/48/412016448.db2.gz	CKKLCLSZFIPSCR-TUAOUCFPSA-N	0	1	240.347	0.818	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(CCC)CCC	ZINC000662167757	412016800	/nfs/dbraw/zinc/01/68/00/412016800.db2.gz	OSXAGIASDKSAPQ-LLVKDONJSA-N	0	1	228.336	0.772	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O	ZINC000662168941	412017924	/nfs/dbraw/zinc/01/79/24/412017924.db2.gz	ZOSKESXWZQMKTK-WHOHXGKFSA-N	0	1	238.331	0.570	20	30		BCEDMN
C=CCN1CC[C@H]([N@H+](CC)[C@H](C)C(=O)[O-])C1=O	ZINC000662214215	412027205	/nfs/dbraw/zinc/02/72/05/412027205.db2.gz	DQRMQVFXZJLBKC-ZJUUUORDSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@H]([N@@H+](CC)[C@H](C)C(=O)[O-])C1=O	ZINC000662214215	412027208	/nfs/dbraw/zinc/02/72/08/412027208.db2.gz	DQRMQVFXZJLBKC-ZJUUUORDSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)C(=O)[O-])C1=O	ZINC000662214212	412027265	/nfs/dbraw/zinc/02/72/65/412027265.db2.gz	DQRMQVFXZJLBKC-NXEZZACHSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)C(=O)[O-])C1=O	ZINC000662214212	412027269	/nfs/dbraw/zinc/02/72/69/412027269.db2.gz	DQRMQVFXZJLBKC-NXEZZACHSA-N	0	1	240.303	0.568	20	30		BCEDMN
CC(C)c1nc(CNc2cc(C#N)ncn2)n[nH]1	ZINC000596249010	412322736	/nfs/dbraw/zinc/32/27/36/412322736.db2.gz	AXNUZXPUYWHHQQ-UHFFFAOYSA-N	0	1	243.274	1.202	20	30		BCEDMN
C=CCOCCNC(=O)c1cnccc1N	ZINC000662922780	412346389	/nfs/dbraw/zinc/34/63/89/412346389.db2.gz	XYSQBQDSHHMQTP-UHFFFAOYSA-N	0	1	221.260	0.427	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN(CC(C)C)CC1	ZINC000665530897	412349540	/nfs/dbraw/zinc/34/95/40/412349540.db2.gz	GJBRLCKYCLZRMS-CYBMUJFWSA-N	0	1	240.347	0.724	20	30		BCEDMN
C=CC[C@@]1(C(=O)N[C@H](C)c2nnc[nH]2)CCC[NH2+]1	ZINC000662752139	412291762	/nfs/dbraw/zinc/29/17/62/412291762.db2.gz	HOCLHGLTKVPGLN-SKDRFNHKSA-N	0	1	249.318	0.680	20	30		BCEDMN
C=CC[C@@]1(C(=O)N[C@H](C)c2nnc[n-]2)CCC[NH2+]1	ZINC000662752139	412291766	/nfs/dbraw/zinc/29/17/66/412291766.db2.gz	HOCLHGLTKVPGLN-SKDRFNHKSA-N	0	1	249.318	0.680	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2ccc(C#N)nc2)C1	ZINC000135148662	173074936	/nfs/dbraw/zinc/07/49/36/173074936.db2.gz	NVRLWLDHMHMDIO-CYBMUJFWSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000225348658	173075639	/nfs/dbraw/zinc/07/56/39/173075639.db2.gz	HTNZBOKGJLPFGM-LBPRGKRZSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1C[C@@H](NCc2cc(C#N)cs2)CC1=O	ZINC000309427404	173186665	/nfs/dbraw/zinc/18/66/65/173186665.db2.gz	XHYPFWPYNYZLGK-VIFPVBQESA-N	0	1	235.312	0.940	20	30		BCEDMN
CNC(=O)CNCc1ccc(OC)c(C#N)c1	ZINC000087822911	173277619	/nfs/dbraw/zinc/27/76/19/173277619.db2.gz	FELPZTKNHVYBCK-UHFFFAOYSA-N	0	1	233.271	0.402	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1ccc(C#N)c(OC)c1	ZINC000234345992	173302940	/nfs/dbraw/zinc/30/29/40/173302940.db2.gz	GWJFIXPVTMOPOJ-VIFPVBQESA-N	0	1	247.298	0.791	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)c1ccc(C#N)cc1	ZINC000054369731	176326397	/nfs/dbraw/zinc/32/63/97/176326397.db2.gz	XDAURIRSIKCANO-SNVBAGLBSA-N	0	1	229.283	0.992	20	30		BCEDMN
CC#CCC[N@@H+](C)CCN1CCCS1(=O)=O	ZINC000680884522	487664790	/nfs/dbraw/zinc/66/47/90/487664790.db2.gz	DPHWYUOBOSXOER-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
CC#CCCN(C)CCN1CCCS1(=O)=O	ZINC000680884522	487664794	/nfs/dbraw/zinc/66/47/94/487664794.db2.gz	DPHWYUOBOSXOER-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
C#C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])cn1	ZINC000491252588	229193312	/nfs/dbraw/zinc/19/33/12/229193312.db2.gz	IRCZXJSUBAPUAJ-SECBINFHSA-N	0	1	222.248	0.745	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCO[C@@]2(CCCOC2)C1	ZINC000671696555	487695252	/nfs/dbraw/zinc/69/52/52/487695252.db2.gz	FYWBMOGSXGJZNG-OLZOCXBDSA-N	0	1	241.331	0.805	20	30		BCEDMN
Cc1nc[nH]c1C=NNC(=S)N(C)C	ZINC000755708722	585304485	/nfs/dbraw/zinc/30/44/85/585304485.db2.gz	IHLZKLHXRLFNTG-UHFFFAOYSA-N	0	1	211.294	0.488	20	30		BCEDMN
C#C[C@@H](C)N(C)CC[C@@H]1CCS(=O)(=O)C1	ZINC000769961740	585567733	/nfs/dbraw/zinc/56/77/33/585567733.db2.gz	NCXAERNEXOQIEU-GHMZBOCLSA-N	0	1	229.345	0.765	20	30		BCEDMN
C=CCN(C)C(=O)N[C@H]1CCCN(C)C1	ZINC000681654795	487831780	/nfs/dbraw/zinc/83/17/80/487831780.db2.gz	KMOMXRITFKZWHE-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CCNC(=S)N(C)CC1CN(C)C1	ZINC000849288992	588470074	/nfs/dbraw/zinc/47/00/74/588470074.db2.gz	HPVATVUJOXHWJM-UHFFFAOYSA-N	0	1	213.350	0.540	20	30		BCEDMN
CN(CCCC(C)(C)C#N)CCS(N)(=O)=O	ZINC000880082650	590922104	/nfs/dbraw/zinc/92/21/04/590922104.db2.gz	MWEGQRLSUFOFCE-UHFFFAOYSA-N	0	1	247.364	0.537	20	30		BCEDMN
C#CCN(CC)C(=O)NC[C@H]1CCN1C	ZINC000925406412	646261268	/nfs/dbraw/zinc/26/12/68/646261268.db2.gz	SNEYPEBNGWGNAQ-SNVBAGLBSA-N	0	1	209.293	0.355	20	30		BCEDMN
C=C[C@@](C)(CCOC)C(=O)NCc1c[nH]nn1	ZINC000682162160	487920609	/nfs/dbraw/zinc/92/06/09/487920609.db2.gz	FPFLDOFZWWKFMJ-NSHDSACASA-N	0	1	238.291	0.650	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000562264840	323014158	/nfs/dbraw/zinc/01/41/58/323014158.db2.gz	NKIXQDLBSGWVSP-DTWKUNHWSA-N	0	1	247.302	0.726	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000564736165	323014171	/nfs/dbraw/zinc/01/41/71/323014171.db2.gz	JEJFPDYPKKMRQJ-VIFPVBQESA-N	0	1	220.276	0.960	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@H]1CCCN1C1CC1	ZINC000562342818	323017265	/nfs/dbraw/zinc/01/72/65/323017265.db2.gz	TUQJZQPFHFSVCY-MWLCHTKSSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@@H]1CN(c2ccnc(C#N)n2)[C@@H](C)CN1C	ZINC000569708896	323038103	/nfs/dbraw/zinc/03/81/03/323038103.db2.gz	UENIRDDTMKVJTJ-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C#CCNC(=O)CCNCc1nc(C)cs1	ZINC000164135049	323066527	/nfs/dbraw/zinc/06/65/27/323066527.db2.gz	NVQNCOFRMOCPSV-UHFFFAOYSA-N	0	1	237.328	0.681	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NC2(C#N)CC2)C1	ZINC000563382484	323121932	/nfs/dbraw/zinc/12/19/32/323121932.db2.gz	HRKIRSZMOKDMSB-SECBINFHSA-N	0	1	207.277	0.501	20	30		BCEDMN
C#CCN1CCC[C@@H](N2CCCC2=O)C1	ZINC000111295719	323158445	/nfs/dbraw/zinc/15/84/45/323158445.db2.gz	HYAFQMVLCDALOG-LLVKDONJSA-N	0	1	206.289	0.706	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN(C)[C@@H]1CCSC1	ZINC000535323189	323170834	/nfs/dbraw/zinc/17/08/34/323170834.db2.gz	YUXDOOCFNAQQOH-VHSXEESVSA-N	0	1	241.360	0.700	20	30		BCEDMN
Cc1nnc(NC(=O)c2ccc(C#N)c(C)n2)[nH]1	ZINC000112703136	323171531	/nfs/dbraw/zinc/17/15/31/323171531.db2.gz	XTJHFDXIRUNFJX-UHFFFAOYSA-N	0	1	242.242	0.941	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ccc(C#N)c(C)n2)n1	ZINC000112703136	323171532	/nfs/dbraw/zinc/17/15/32/323171532.db2.gz	XTJHFDXIRUNFJX-UHFFFAOYSA-N	0	1	242.242	0.941	20	30		BCEDMN
C=CC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1	ZINC000677046632	487957624	/nfs/dbraw/zinc/95/76/24/487957624.db2.gz	DGPAVIJLUITZSC-UHFFFAOYSA-N	0	1	221.308	0.417	20	30		BCEDMN
N#CCC[C@H](C#N)CNCCn1ccnc1	ZINC000563880932	323182893	/nfs/dbraw/zinc/18/28/93/323182893.db2.gz	DFCJTSKZAOXJRD-LLVKDONJSA-N	0	1	217.276	0.916	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@@H]1c1cc[nH]n1	ZINC000294084209	323183160	/nfs/dbraw/zinc/18/31/60/323183160.db2.gz	LKTLJVXEFAVCQR-GFCCVEGCSA-N	0	1	246.314	0.686	20	30		BCEDMN
C=CCNC(=O)CN(CC)C[C@@H]1CCCO1	ZINC000051555203	323189720	/nfs/dbraw/zinc/18/97/20/323189720.db2.gz	ZYHYATDANCPPNB-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CN1CCN(CC)CC1	ZINC000491778921	324161155	/nfs/dbraw/zinc/16/11/55/324161155.db2.gz	JHCWWVILCXISGZ-LBPRGKRZSA-N	0	1	237.347	0.104	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000541950317	325001048	/nfs/dbraw/zinc/00/10/48/325001048.db2.gz	ROKKEULYCLXSNF-NKWVEPMBSA-N	0	1	222.252	0.325	20	30		BCEDMN
Cc1onc(CC(=O)NCCN2CCC2)c1C#N	ZINC000542786130	325047246	/nfs/dbraw/zinc/04/72/46/325047246.db2.gz	YTWLGFKLBSMOMP-UHFFFAOYSA-N	0	1	248.286	0.219	20	30		BCEDMN
Cc1ccccc1[C@@H](CO)NCC(=O)NCC#N	ZINC000543839736	325116701	/nfs/dbraw/zinc/11/67/01/325116701.db2.gz	MWHQBEBRHUUMFQ-GFCCVEGCSA-N	0	1	247.298	0.258	20	30		BCEDMN
CN(C)C1CN(C(=O)Nc2cccc(C#N)n2)C1	ZINC000566067367	325989972	/nfs/dbraw/zinc/98/99/72/325989972.db2.gz	YIXXCOIAORJBCY-UHFFFAOYSA-N	0	1	245.286	0.731	20	30		BCEDMN
N#Cc1cncnc1N[C@H]1CCc2[nH]cnc2C1	ZINC000567162940	326126897	/nfs/dbraw/zinc/12/68/97/326126897.db2.gz	RUKWOLPBKWMRMW-VIFPVBQESA-N	0	1	240.270	0.463	20	30		BCEDMN
N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]1O	ZINC000567873297	326274445	/nfs/dbraw/zinc/27/44/45/326274445.db2.gz	RKFVEDGDWQBTOH-GMTAPVOTSA-N	0	1	207.277	0.933	20	30		BCEDMN
CC1=CCN(CCNc2ncncc2C#N)CC1	ZINC000568385478	326352252	/nfs/dbraw/zinc/35/22/52/326352252.db2.gz	HPMSRRYXSKBENV-UHFFFAOYSA-N	0	1	243.314	0.834	20	30		BCEDMN
COC(=O)CCCNC[C@H](C#N)CCC#N	ZINC000568500760	326360220	/nfs/dbraw/zinc/36/02/20/326360220.db2.gz	FLACERKNWVZMNE-JTQLQIEISA-N	0	1	223.276	0.973	20	30		BCEDMN
C[C@@H](CN(C)C(=O)CCCC#N)c1nn[nH]n1	ZINC000487115535	533710884	/nfs/dbraw/zinc/71/08/84/533710884.db2.gz	IFPYXNCKCWJAIK-QMMMGPOBSA-N	0	1	236.279	0.455	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)[C@H](C)C1	ZINC000677196714	488001174	/nfs/dbraw/zinc/00/11/74/488001174.db2.gz	VBZFTWJWUNESEK-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000655161011	488005639	/nfs/dbraw/zinc/00/56/39/488005639.db2.gz	QVYLUTSLDIZYMR-NWDGAFQWSA-N	0	1	238.331	0.219	20	30		BCEDMN
C[C@@H](C(=O)NCC1(CC#N)CC1)N(C)C	ZINC000619545018	488041310	/nfs/dbraw/zinc/04/13/10/488041310.db2.gz	CDTSIMZZNJRSLI-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
COCC#CCN1CCC(CNC(C)=O)CC1	ZINC000677818344	488132882	/nfs/dbraw/zinc/13/28/82/488132882.db2.gz	IVOBRSVPVWFCAB-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
COCC#CCN1CCS[C@@H]2COCC[C@@H]21	ZINC000677820608	488137849	/nfs/dbraw/zinc/13/78/49/488137849.db2.gz	QXPAYXIIYLFPEP-NWDGAFQWSA-N	0	1	241.356	0.843	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NCc1c[nH]nn1	ZINC000673919621	487479487	/nfs/dbraw/zinc/47/94/87/487479487.db2.gz	WNVLDZCYUMNLNE-QMMMGPOBSA-N	0	1	224.264	0.402	20	30		BCEDMN
C=CCN1CC[C@@H](N(CCCO)C2CC2)C1=O	ZINC000685001127	487488854	/nfs/dbraw/zinc/48/88/54/487488854.db2.gz	MDTUCNGIOJVRHD-GFCCVEGCSA-N	0	1	238.331	0.620	20	30		BCEDMN
COCC#CCN1CCC(OCCCO)CC1	ZINC000677819913	488135543	/nfs/dbraw/zinc/13/55/43/488135543.db2.gz	DDCVSFPAORWPNR-UHFFFAOYSA-N	0	1	241.331	0.500	20	30		BCEDMN
C=CCCC(=O)NC[C@@H]1CN2CCN1CCC2	ZINC000670406916	488147773	/nfs/dbraw/zinc/14/77/73/488147773.db2.gz	GNUZFRIOVJCNEN-GFCCVEGCSA-N	0	1	237.347	0.459	20	30		BCEDMN
COCC#CCN(C)[C@H](CO)COC(C)C	ZINC000683371951	488154787	/nfs/dbraw/zinc/15/47/87/488154787.db2.gz	FROUBFAXQGNFRS-GFCCVEGCSA-N	0	1	229.320	0.354	20	30		BCEDMN
CCC#C[C@@H](C)N1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000684008146	488254563	/nfs/dbraw/zinc/25/45/63/488254563.db2.gz	MEXNPJWFLZHKLQ-ZWNOBZJWSA-N	0	1	249.314	0.462	20	30		BCEDMN
CCC#C[C@H](C)N(C)CCNC(=O)N(C)C	ZINC000679151264	488313725	/nfs/dbraw/zinc/31/37/25/488313725.db2.gz	NYDSNIGSGYJJGM-NSHDSACASA-N	0	1	225.336	0.991	20	30		BCEDMN
N#Cc1ccc(CC(=O)NCc2nnc[nH]2)cc1	ZINC000070218212	490564064	/nfs/dbraw/zinc/56/40/64/490564064.db2.gz	VRXFOUURCKZHGN-UHFFFAOYSA-N	0	1	241.254	0.535	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)CCc1nn[nH]n1	ZINC000890550083	582472311	/nfs/dbraw/zinc/47/23/11/582472311.db2.gz	TVJNWAVKUBNXMJ-MRVPVSSYSA-N	0	1	221.264	0.309	20	30		BCEDMN
Cc1nc(Cn2nc(C)c(C)c(C#N)c2=O)n[nH]1	ZINC000488235569	534432902	/nfs/dbraw/zinc/43/29/02/534432902.db2.gz	PDIYPEMJRFYFTP-UHFFFAOYSA-N	0	1	244.258	0.207	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1ccc2cncn2c1	ZINC000356860505	534533914	/nfs/dbraw/zinc/53/39/14/534533914.db2.gz	LRAJEUBPXTVMPW-JTQLQIEISA-N	0	1	231.255	0.611	20	30		BCEDMN
C=C[C@@H](CO)NCc1c[nH]c(C(=O)OC)c1	ZINC000289946504	534540150	/nfs/dbraw/zinc/54/01/50/534540150.db2.gz	UPWLBSWREBTUDU-VIFPVBQESA-N	0	1	224.260	0.438	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN[C@H](C)C1	ZINC000333836357	534600761	/nfs/dbraw/zinc/60/07/61/534600761.db2.gz	UILQEKYITPKQMP-MXWKQRLJSA-N	0	1	239.319	0.333	20	30		BCEDMN
C=CCCC(=O)N1CCN(C[C@H](C)O)C[C@H]1C	ZINC000352198594	534607282	/nfs/dbraw/zinc/60/72/82/534607282.db2.gz	XITXWOVYEUMZLY-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C[C@H](C)NC(=O)CN1CCN(CC)CC1	ZINC000362610460	534634261	/nfs/dbraw/zinc/63/42/61/534634261.db2.gz	GPULWDGTHVCXBX-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
C=CCCCC(=O)NC1(c2nn[nH]n2)CC1	ZINC000357055276	534656221	/nfs/dbraw/zinc/65/62/21/534656221.db2.gz	VGVCBLSODQTOQZ-UHFFFAOYSA-N	0	1	221.264	0.661	20	30		BCEDMN
CC#CCN1CCC([C@H](O)C(=O)OC)CC1	ZINC000305193814	534708495	/nfs/dbraw/zinc/70/84/95/534708495.db2.gz	DKGUGZOCCUXHHO-NSHDSACASA-N	0	1	225.288	0.256	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N[C@H](C)c1nnc[nH]1	ZINC000174551217	534783120	/nfs/dbraw/zinc/78/31/20/534783120.db2.gz	XFFKEFSZEYUAGW-RKDXNWHRSA-N	0	1	238.291	0.963	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000348764370	534868072	/nfs/dbraw/zinc/86/80/72/534868072.db2.gz	PUHTZJSPWLMRJX-GFCCVEGCSA-N	0	1	240.347	0.988	20	30		BCEDMN
C=CCOCC(=O)N1CCN(CC)C[C@H]1C	ZINC000341792026	534868648	/nfs/dbraw/zinc/86/86/48/534868648.db2.gz	SXAXYJXZJWNPIC-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000892495764	582897814	/nfs/dbraw/zinc/89/78/14/582897814.db2.gz	FFDBBVBPPHSLNM-UJNFCWOMSA-N	0	1	236.271	0.399	20	30		BCEDMN
C=CCN1CCC[C@H]1CS(=O)(=O)NC	ZINC000494709190	526456380	/nfs/dbraw/zinc/45/63/80/526456380.db2.gz	MYPYIAQFVLFTHY-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CCc1nc[nH]n1	ZINC000490763174	526854065	/nfs/dbraw/zinc/85/40/65/526854065.db2.gz	OLNKXRNSZAORIO-UHFFFAOYSA-N	0	1	230.271	0.222	20	30		BCEDMN
C#CCN(CC#CC)C(=O)c1cnc(C)[nH]1	ZINC000491067570	526862133	/nfs/dbraw/zinc/86/21/33/526862133.db2.gz	JEVNPSXBKAJFNS-UHFFFAOYSA-N	0	1	215.256	0.817	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@H](C)CN1CCOCC1	ZINC000270919555	526890456	/nfs/dbraw/zinc/89/04/56/526890456.db2.gz	IVQJSCQVDFTWFT-SECBINFHSA-N	0	1	246.738	0.823	20	30		BCEDMN
C#CCNC(=O)CCNCC(=C)Br	ZINC000491760190	526981679	/nfs/dbraw/zinc/98/16/79/526981679.db2.gz	PSADPHFVRQGWNU-UHFFFAOYSA-N	0	1	245.120	0.624	20	30		BCEDMN
C#CCNC(=O)CCNCc1cc(C)no1	ZINC000491772351	526984343	/nfs/dbraw/zinc/98/43/43/526984343.db2.gz	UIIHGLAWYRRRAY-UHFFFAOYSA-N	0	1	221.260	0.212	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CCN2CCC1CC2	ZINC000336450276	534968770	/nfs/dbraw/zinc/96/87/70/534968770.db2.gz	SITNJGXRZMNALN-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
CC[C@@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785328	535994173	/nfs/dbraw/zinc/99/41/73/535994173.db2.gz	BOJDIOOFECYWJD-OIBJUYFYSA-N	0	1	212.249	0.604	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN(CCO)CC1	ZINC000677047967	566296999	/nfs/dbraw/zinc/29/69/99/566296999.db2.gz	LZPWDCSLTWOPJN-GFCCVEGCSA-N	0	1	210.321	0.398	20	30		BCEDMN
CN1C[C@@H](NC[C@@H](C#N)CCC#N)CCC1=O	ZINC000574962370	566325619	/nfs/dbraw/zinc/32/56/19/566325619.db2.gz	QVUDTAKRDNAWQU-MNOVXSKESA-N	0	1	234.303	0.640	20	30		BCEDMN
C#CCOCCN1CCCC[C@H]1C(=O)NC	ZINC000851744677	582966213	/nfs/dbraw/zinc/96/62/13/582966213.db2.gz	LNYQVWOOSFGLAB-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCOCCC(=O)O[C@H](C)c1nnc[nH]1	ZINC000853223017	588726366	/nfs/dbraw/zinc/72/63/66/588726366.db2.gz	SVLCOVKVVQHBFX-MRVPVSSYSA-N	0	1	223.232	0.449	20	30		BCEDMN
C[C@@H](OC(=O)[C@@H](C)CC#N)c1nnc[nH]1	ZINC000853228001	588727528	/nfs/dbraw/zinc/72/75/28/588727528.db2.gz	VKVVAVDCMJUHOK-NKWVEPMBSA-N	0	1	208.221	0.959	20	30		BCEDMN
COCCON=C(N)CN1CCCCCC1	ZINC000111178760	588727576	/nfs/dbraw/zinc/72/75/76/588727576.db2.gz	KBJUZVCXSXMRGT-UHFFFAOYSA-N	0	1	229.324	0.798	20	30		BCEDMN
COc1nccc(C=NNc2nnc(C)n2C)n1	ZINC000853431387	588741783	/nfs/dbraw/zinc/74/17/83/588741783.db2.gz	YUPPXWKEBQGGHL-UHFFFAOYSA-N	0	1	247.262	0.368	20	30		BCEDMN
COc1nccnc1C=NNc1nnc(C)n1C	ZINC000853430614	588741796	/nfs/dbraw/zinc/74/17/96/588741796.db2.gz	DTSJMLAERJHFGK-UHFFFAOYSA-N	0	1	247.262	0.368	20	30		BCEDMN
Cc1cc(CN=Nc2nnc(C)n2C)no1	ZINC000853430481	588741798	/nfs/dbraw/zinc/74/17/98/588741798.db2.gz	BJESGMZMPGFMLU-UHFFFAOYSA-N	0	1	220.236	0.866	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCCCc1nc[nH]n1	ZINC000854077921	588773778	/nfs/dbraw/zinc/77/37/78/588773778.db2.gz	DVEFUVMROWIIRI-VIFPVBQESA-N	0	1	235.291	0.448	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000854077455	588773829	/nfs/dbraw/zinc/77/38/29/588773829.db2.gz	SEGPIIKYRPJHEN-CBAPKCEASA-N	0	1	235.291	0.885	20	30		BCEDMN
C=CCONC(=O)N(C)CC1CN(C)C1	ZINC000854117354	588774909	/nfs/dbraw/zinc/77/49/09/588774909.db2.gz	CPBIDJOLHMWKEJ-UHFFFAOYSA-N	0	1	213.281	0.307	20	30		BCEDMN
C=C(C)CONC(=O)N(C)CC1CN(C)C1	ZINC000854216890	588779810	/nfs/dbraw/zinc/77/98/10/588779810.db2.gz	GMGHWJQBSBYWMQ-UHFFFAOYSA-N	0	1	227.308	0.697	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)[C@H]1CCCN1C	ZINC000854697747	588802926	/nfs/dbraw/zinc/80/29/26/588802926.db2.gz	KKQUJMGMXAFRID-PWSUYJOCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@@H]2CCN2C(C)(C)C)C1	ZINC000890526136	582466564	/nfs/dbraw/zinc/46/65/64/582466564.db2.gz	ILLNSGMTSQOJPB-JTQLQIEISA-N	0	1	236.315	0.066	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)CCCc1nn[nH]n1	ZINC000890656552	582495085	/nfs/dbraw/zinc/49/50/85/582495085.db2.gz	ZNXLANREPKVQND-JTQLQIEISA-N	0	1	247.302	0.537	20	30		BCEDMN
CCN(C(=O)C=NOC)[C@@H]1CC[N@@H+](CC)C1	ZINC000855485476	588838009	/nfs/dbraw/zinc/83/80/09/588838009.db2.gz	CRUILVYYUTUMTB-SNVBAGLBSA-N	0	1	227.308	0.561	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000855585682	588840321	/nfs/dbraw/zinc/84/03/21/588840321.db2.gz	ANYGSWLAZJFFOG-NBEYISGCSA-N	0	1	223.232	0.555	20	30		BCEDMN
C=CC(C)(C)NC(=O)Cc1n[nH]c(C)n1	ZINC000891266458	582644933	/nfs/dbraw/zinc/64/49/33/582644933.db2.gz	NNPCVBCKUOXQEH-UHFFFAOYSA-N	0	1	208.265	0.736	20	30		BCEDMN
C#CCONC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000855607355	588841917	/nfs/dbraw/zinc/84/19/17/588841917.db2.gz	YUMIASKKGNUXIL-QMMMGPOBSA-N	0	1	207.233	0.269	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(O)c(F)c2)N1	ZINC000779791640	582730599	/nfs/dbraw/zinc/73/05/99/582730599.db2.gz	DNWXRWFMOYBZFS-SSDOTTSWSA-N	0	1	236.250	0.803	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@H]1C[N@H+](CC)CCO1	ZINC000856032375	588856811	/nfs/dbraw/zinc/85/68/11/588856811.db2.gz	NDVZVSJZJWOLOL-JTQLQIEISA-N	0	1	228.292	0.331	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@H]1C[N@@H+](CC)CCO1	ZINC000856032375	588856812	/nfs/dbraw/zinc/85/68/12/588856812.db2.gz	NDVZVSJZJWOLOL-JTQLQIEISA-N	0	1	228.292	0.331	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COC1CC1	ZINC000892501939	582899108	/nfs/dbraw/zinc/89/91/08/582899108.db2.gz	SVPPALHXHYDPKH-SECBINFHSA-N	0	1	224.260	0.399	20	30		BCEDMN
N#CCN(C(=O)CCc1cnc[nH]1)C1CC1	ZINC000330033754	582959464	/nfs/dbraw/zinc/95/94/64/582959464.db2.gz	VVAOKDFZVNGKSC-UHFFFAOYSA-N	0	1	218.260	0.857	20	30		BCEDMN
C#CCOCC[N@@H+](CC(N)=O)CC(C)C	ZINC000851725447	582964483	/nfs/dbraw/zinc/96/44/83/582964483.db2.gz	AAPGWEVXJUFDLF-UHFFFAOYSA-N	0	1	212.293	0.080	20	30		BCEDMN
C#CCOCCN(CC(N)=O)CC(C)C	ZINC000851725447	582964485	/nfs/dbraw/zinc/96/44/85/582964485.db2.gz	AAPGWEVXJUFDLF-UHFFFAOYSA-N	0	1	212.293	0.080	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1c[nH]nn1)[C@H]1CCCO1	ZINC000867500514	583117150	/nfs/dbraw/zinc/11/71/50/583117150.db2.gz	ZJWPCDYKCKOAQE-GHMZBOCLSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnn[nH]1)[C@H]1CCCO1	ZINC000867500514	583117153	/nfs/dbraw/zinc/11/71/53/583117153.db2.gz	ZJWPCDYKCKOAQE-GHMZBOCLSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1c[nH]nn1)[C@H]1CCCO1	ZINC000867500517	583117810	/nfs/dbraw/zinc/11/78/10/583117810.db2.gz	ZJWPCDYKCKOAQE-WDEREUQCSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnn[nH]1)[C@H]1CCCO1	ZINC000867500517	583117813	/nfs/dbraw/zinc/11/78/13/583117813.db2.gz	ZJWPCDYKCKOAQE-WDEREUQCSA-N	0	1	248.286	0.034	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccccc1O	ZINC000841659991	583165193	/nfs/dbraw/zinc/16/51/93/583165193.db2.gz	BRQHMEIRQNDWKA-UHFFFAOYSA-N	0	1	218.260	0.665	20	30		BCEDMN
C#CCCCCNC(=O)NCc1n[nH]c(C)n1	ZINC000893632048	583178295	/nfs/dbraw/zinc/17/82/95/583178295.db2.gz	DIOLJLJXBXZHMG-UHFFFAOYSA-N	0	1	235.291	0.716	20	30		BCEDMN
C#CCSCCNC(=O)N1CCN[C@@H](C)C1	ZINC000841832558	583341551	/nfs/dbraw/zinc/34/15/51/583341551.db2.gz	PMMNPOJIUNDDSM-JTQLQIEISA-N	0	1	241.360	0.356	20	30		BCEDMN
C#CCSCCNC(=O)N1CCN[C@H](C)C1	ZINC000841832559	583341922	/nfs/dbraw/zinc/34/19/22/583341922.db2.gz	PMMNPOJIUNDDSM-SNVBAGLBSA-N	0	1	241.360	0.356	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCC[C@@H](O)CC1	ZINC000878658525	583389601	/nfs/dbraw/zinc/38/96/01/583389601.db2.gz	YULGQMQVEHHDCM-GHMZBOCLSA-N	0	1	227.304	0.951	20	30		BCEDMN
Cc1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)nc1	ZINC000841184069	583418332	/nfs/dbraw/zinc/41/83/32/583418332.db2.gz	ZDLNTOFEQBBEGO-ZJUUUORDSA-N	0	1	245.286	0.623	20	30		BCEDMN
C#C[C@@H](CC)NCc1c2c(nn1C)CCOC2	ZINC000894387719	583444755	/nfs/dbraw/zinc/44/47/55/583444755.db2.gz	UOEYKVUKUBRPKH-JTQLQIEISA-N	0	1	233.315	0.994	20	30		BCEDMN
N#Cc1cccc(CNC[C@@H]2COCO2)n1	ZINC000894880243	583543575	/nfs/dbraw/zinc/54/35/75/583543575.db2.gz	BEZBGOLPXFPGSE-LLVKDONJSA-N	0	1	219.244	0.416	20	30		BCEDMN
CCNCc1cn(CCO[C@H](C)C#N)nn1	ZINC000881324536	583551521	/nfs/dbraw/zinc/55/15/21/583551521.db2.gz	WUUWYAYSCMJLCS-SECBINFHSA-N	0	1	223.280	0.316	20	30		BCEDMN
c1nc2cnccn2c1CN=Nc1cncnc1	ZINC000794978995	583634909	/nfs/dbraw/zinc/63/49/09/583634909.db2.gz	QMWCPXJXXGUXCG-UHFFFAOYSA-N	0	1	239.242	0.965	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(Cl)nn1	ZINC000895490868	583680913	/nfs/dbraw/zinc/68/09/13/583680913.db2.gz	UYAISCROTGMGDD-VIFPVBQESA-N	0	1	225.679	0.604	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1cn(CC)nn1	ZINC000895668705	583705676	/nfs/dbraw/zinc/70/56/76/583705676.db2.gz	NIMBGRIKKXDXKH-NSHDSACASA-N	0	1	236.319	0.816	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(C(F)(F)F)n[nH]1	ZINC000883124228	583710916	/nfs/dbraw/zinc/71/09/16/583710916.db2.gz	AZAFLBJDNIVUJW-ZETCQYMHSA-N	0	1	247.220	0.902	20	30		BCEDMN
C[C@@H]1[C@H](Nc2c(C#N)cnn2C)CC[N@H+]1C	ZINC000895736507	583717804	/nfs/dbraw/zinc/71/78/04/583717804.db2.gz	JWKFQFNTCQTUAE-PSASIEDQSA-N	0	1	219.292	0.796	20	30		BCEDMN
C#CCN1CCC(Nc2ccncc2C#N)CC1	ZINC000895808873	583729373	/nfs/dbraw/zinc/72/93/73/583729373.db2.gz	VGPSSNVRQOBBBT-UHFFFAOYSA-N	0	1	240.310	0.885	20	30		BCEDMN
CC(=NNC(N)=[NH2+])c1ccc(F)cc1[O-]	ZINC000727779814	583769955	/nfs/dbraw/zinc/76/99/55/583769955.db2.gz	WSXPUYXYJKJAJA-UHFFFAOYSA-N	0	1	210.212	0.738	20	30		BCEDMN
C=CCCC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C	ZINC000896564060	583812719	/nfs/dbraw/zinc/81/27/19/583812719.db2.gz	NPKOZVABKWLZML-NWDGAFQWSA-N	0	1	239.363	0.703	20	30		BCEDMN
C#CCSCC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000897083597	583877796	/nfs/dbraw/zinc/87/77/96/583877796.db2.gz	CGVAHSSBSCEMEL-SECBINFHSA-N	0	1	249.339	0.750	20	30		BCEDMN
N#Cc1cccc(CNCCO[C@@H]2CCOC2)n1	ZINC000897201516	583893253	/nfs/dbraw/zinc/89/32/53/583893253.db2.gz	KDGKRNPMSMOUKY-CYBMUJFWSA-N	0	1	247.298	0.848	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000219522657	583946067	/nfs/dbraw/zinc/94/60/67/583946067.db2.gz	MOVOTFUOLDDGIX-NXEZZACHSA-N	0	1	240.303	0.474	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1ccn(C)n1	ZINC000858333472	588946312	/nfs/dbraw/zinc/94/63/12/588946312.db2.gz	HKOZXGQHQYBIFV-LLVKDONJSA-N	0	1	221.304	0.938	20	30		BCEDMN
C=CCN(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897444446	583985038	/nfs/dbraw/zinc/98/50/38/583985038.db2.gz	GKVOWEGYBFDFNW-NSHDSACASA-N	0	1	224.304	0.352	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)sn1	ZINC000785462145	584008366	/nfs/dbraw/zinc/00/83/66/584008366.db2.gz	RQZGFCCWWWKPDT-ZETCQYMHSA-N	0	1	223.305	0.723	20	30		BCEDMN
C=CCOCC(=O)C(C#N)C(=O)NC(C)C	ZINC000729889905	584027875	/nfs/dbraw/zinc/02/78/75/584027875.db2.gz	WYDFXYWCSRVZIO-SECBINFHSA-N	0	1	224.260	0.422	20	30		BCEDMN
C[C@H]1CCc2n[nH]c(C(=O)NCC#CCO)c2C1	ZINC000897674910	584035300	/nfs/dbraw/zinc/03/53/00/584035300.db2.gz	LOLSVQIYXXWAFK-VIFPVBQESA-N	0	1	247.298	0.260	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NC(C)(C)c1c[nH]nn1	ZINC000898147737	584086963	/nfs/dbraw/zinc/08/69/63/584086963.db2.gz	XLSAVFHUWGXNKZ-NSHDSACASA-N	0	1	238.291	0.483	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000898145611	584086976	/nfs/dbraw/zinc/08/69/76/584086976.db2.gz	DWTGYYXAKZSNPW-QMMMGPOBSA-N	0	1	236.275	0.194	20	30		BCEDMN
C#CCOCCC(=O)N1CC(N2CCCC2)C1	ZINC000898608563	584144996	/nfs/dbraw/zinc/14/49/96/584144996.db2.gz	YDMAWQGVALCPQQ-UHFFFAOYSA-N	0	1	236.315	0.333	20	30		BCEDMN
C#CC[C@H]1C(=O)N(c2ccnn2C)N=C1C	ZINC000899363618	584204470	/nfs/dbraw/zinc/20/44/70/584204470.db2.gz	FFPGAKVQHFXDJW-SECBINFHSA-N	0	1	216.244	0.782	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2ccnn2C)c1=O	ZINC000899363618	584204471	/nfs/dbraw/zinc/20/44/71/584204471.db2.gz	FFPGAKVQHFXDJW-SECBINFHSA-N	0	1	216.244	0.782	20	30		BCEDMN
CCn1cc(/C=C2\C(=O)c3ncnn3C2C)nn1	ZINC000899379605	584209351	/nfs/dbraw/zinc/20/93/51/584209351.db2.gz	BCXDTBSDTLACGS-CPLNQPMESA-N	0	1	244.258	0.730	20	30		BCEDMN
C=CCC[C@@H]1NC(=O)N(Cc2n[nH]c(C)n2)C1=O	ZINC000900147768	584279167	/nfs/dbraw/zinc/27/91/67/584279167.db2.gz	BLOWFWXVULLWSK-QMMMGPOBSA-N	0	1	249.274	0.500	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C	ZINC000900325369	584294617	/nfs/dbraw/zinc/29/46/17/584294617.db2.gz	BYFPYYJXMIVXQE-JQWIXIFHSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000900325369	584294618	/nfs/dbraw/zinc/29/46/18/584294618.db2.gz	BYFPYYJXMIVXQE-JQWIXIFHSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)Cc1c[nH]cn1	ZINC000900329759	584295264	/nfs/dbraw/zinc/29/52/64/584295264.db2.gz	VUKBFWHIBXMFBK-QMMMGPOBSA-N	0	1	206.249	0.570	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@]1(C)C[C@H](O)CN1C	ZINC000900329173	584295294	/nfs/dbraw/zinc/29/52/94/584295294.db2.gz	LPZFGCUBZZAEJQ-SCVCMEIPSA-N	0	1	239.319	0.060	20	30		BCEDMN
CCN(CC#N)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000900361347	584296017	/nfs/dbraw/zinc/29/60/17/584296017.db2.gz	JBUWBMRYWFSXFS-LLVKDONJSA-N	0	1	237.303	0.079	20	30		BCEDMN
CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCC#N	ZINC000900572374	584326657	/nfs/dbraw/zinc/32/66/57/584326657.db2.gz	GGRMLCFKTCFWRC-JQWIXIFHSA-N	0	1	239.319	0.252	20	30		BCEDMN
C/C=C\[C@H](O)C(=O)NC1(C#N)CCN(C)CC1	ZINC000900607549	584330753	/nfs/dbraw/zinc/33/07/53/584330753.db2.gz	DPOYGQAOZROTPL-XOULXFPDSA-N	0	1	237.303	0.028	20	30		BCEDMN
C=C1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C)CC1	ZINC000900585562	584331974	/nfs/dbraw/zinc/33/19/74/584331974.db2.gz	UIPGJJMHIRLZFA-AAEUAGOBSA-N	0	1	238.331	0.620	20	30		BCEDMN
C[C@@H](NC(=O)C#CC1CC1)[C@H]1CN(C)CCN1C	ZINC000900809873	584355797	/nfs/dbraw/zinc/35/57/97/584355797.db2.gz	FBFFLVPCGGOTAT-DGCLKSJQSA-N	0	1	249.358	0.150	20	30		BCEDMN
C#CCCCCNC(=O)Cc1cnc[nH]1	ZINC000901035246	584376241	/nfs/dbraw/zinc/37/62/41/584376241.db2.gz	PKCSWSHKVHZSJH-UHFFFAOYSA-N	0	1	205.261	0.872	20	30		BCEDMN
C#CCCCCNC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000901034328	584376344	/nfs/dbraw/zinc/37/63/44/584376344.db2.gz	JNGHGBIWRITOPX-YPMHNXCESA-N	0	1	238.331	0.361	20	30		BCEDMN
CC(=NNCC(F)F)c1c[nH]c(N)n1	ZINC000901195813	584397118	/nfs/dbraw/zinc/39/71/18/584397118.db2.gz	KELAYFHXGAWTCB-UHFFFAOYSA-N	0	1	203.196	0.571	20	30		BCEDMN
Cc1cc(F)ncc1C=NNC1=NC[C@H](C)N1	ZINC000901216012	584401311	/nfs/dbraw/zinc/40/13/11/584401311.db2.gz	NCADMFQIEYQSFM-QMMMGPOBSA-N	0	1	235.266	0.800	20	30		BCEDMN
CCOc1ccc(C=NNC2=NC[C@H](C)N2)o1	ZINC000901215626	584401620	/nfs/dbraw/zinc/40/16/20/584401620.db2.gz	LAFHHDMTQVDXRE-QMMMGPOBSA-N	0	1	236.275	0.950	20	30		BCEDMN
COCCCON=C(C)c1c[nH]c(N)n1	ZINC000901237291	584405799	/nfs/dbraw/zinc/40/57/99/584405799.db2.gz	NYJWUUHSTRMQRP-UHFFFAOYSA-N	0	1	212.253	0.769	20	30		BCEDMN
CCn1cnc(C=NNc2cnnn2C)c1	ZINC000901247457	584408636	/nfs/dbraw/zinc/40/86/36/584408636.db2.gz	FPFOOIBLDZSGKD-UHFFFAOYSA-N	0	1	219.252	0.478	20	30		BCEDMN
COc1cn(C)nc1C(C)N=Nc1cnnn1C	ZINC000901248053	584409345	/nfs/dbraw/zinc/40/93/45/584409345.db2.gz	PNLMCERXYBKZME-UHFFFAOYSA-N	0	1	249.278	0.393	20	30		BCEDMN
CCc1nnc(C(=O)NC2=NO[C@H](C)C2)s1	ZINC000901249811	584409717	/nfs/dbraw/zinc/40/97/17/584409717.db2.gz	KXGFGDLRIAAZFG-RXMQYKEDSA-N	0	1	240.288	0.953	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2ccn3nccc3n2)NO1	ZINC000901249993	584409844	/nfs/dbraw/zinc/40/98/44/584409844.db2.gz	MDWNAPNDXYFQSS-ZETCQYMHSA-N	0	1	245.242	0.581	20	30		BCEDMN
CCOCCON=C(C)c1c[nH]c(N)n1	ZINC000901224630	584411987	/nfs/dbraw/zinc/41/19/87/584411987.db2.gz	UHDBCXDTKVGZCT-UHFFFAOYSA-N	0	1	212.253	0.769	20	30		BCEDMN
CC(=NOC[C@H]1CCOC1)c1c[nH]c(N)n1	ZINC000901228311	584412786	/nfs/dbraw/zinc/41/27/86/584412786.db2.gz	WAGRTFKVEWJAIN-QMMMGPOBSA-N	0	1	224.264	0.769	20	30		BCEDMN
C#CCCOC(=O)N[C@H](C)c1nnc[nH]1	ZINC000859089683	588999814	/nfs/dbraw/zinc/99/98/14/588999814.db2.gz	IQMDXFTYEKPWPR-SSDOTTSWSA-N	0	1	208.221	0.615	20	30		BCEDMN
N#Cc1cc(CNC[C@@H](O)CO)cs1	ZINC000902726762	584661598	/nfs/dbraw/zinc/66/15/98/584661598.db2.gz	BEAOWXKPKHBGRY-MRVPVSSYSA-N	0	1	212.274	0.063	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000902934527	584699776	/nfs/dbraw/zinc/69/97/76/584699776.db2.gz	QBISUSNIAQSUBU-JTQLQIEISA-N	0	1	218.260	0.320	20	30		BCEDMN
C#CCN1CCC(NC(=O)N2CCCC2)CC1	ZINC000902940693	584701478	/nfs/dbraw/zinc/70/14/78/584701478.db2.gz	WWGOECQKTLQSCM-UHFFFAOYSA-N	0	1	235.331	0.889	20	30		BCEDMN
COC[C@@H](O)CN[C@@H](C)c1cc(C#N)ccn1	ZINC000902983465	584708757	/nfs/dbraw/zinc/70/87/57/584708757.db2.gz	ZSGVRIWRQIZUCV-ONGXEEELSA-N	0	1	235.287	0.611	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@@H](F)C1	ZINC000902992087	584709750	/nfs/dbraw/zinc/70/97/50/584709750.db2.gz	GUOQNCJAGPBHAZ-SNVBAGLBSA-N	0	1	212.268	0.560	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000903617815	584787084	/nfs/dbraw/zinc/78/70/84/584787084.db2.gz	UCMLYYXQIYJPKI-AEJSXWLSSA-N	0	1	231.267	0.811	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000903617815	584787085	/nfs/dbraw/zinc/78/70/85/584787085.db2.gz	UCMLYYXQIYJPKI-AEJSXWLSSA-N	0	1	231.267	0.811	20	30		BCEDMN
NC(=O)CNN=C1CC[C@@H]2CNc3cccc1c32	ZINC000814904100	584895050	/nfs/dbraw/zinc/89/50/50/584895050.db2.gz	RAAYCSATLMOQNU-MRVPVSSYSA-N	0	1	244.298	0.769	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000831136267	584909034	/nfs/dbraw/zinc/90/90/34/584909034.db2.gz	CPHGEJIVUXOQOZ-QMMMGPOBSA-N	0	1	248.286	0.890	20	30		BCEDMN
CCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCC1	ZINC000834479419	584913636	/nfs/dbraw/zinc/91/36/36/584913636.db2.gz	DMDFAVXOXYKVBX-ZJUUUORDSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C=C1CCCC1	ZINC000834500175	584913694	/nfs/dbraw/zinc/91/36/94/584913694.db2.gz	QOUFJVCHDPXBJK-QWRGUYRKSA-N	0	1	219.288	0.715	20	30		BCEDMN
CCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCC1	ZINC000834479416	584913718	/nfs/dbraw/zinc/91/37/18/584913718.db2.gz	DMDFAVXOXYKVBX-VHSXEESVSA-N	0	1	221.304	0.794	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C=C1CCCC1	ZINC000834500172	584913750	/nfs/dbraw/zinc/91/37/50/584913750.db2.gz	QOUFJVCHDPXBJK-MNOVXSKESA-N	0	1	219.288	0.715	20	30		BCEDMN
C[C@@H]1C[N@@H+](C)CC1=NOC[C@H]1CCOC1	ZINC000788037776	584928227	/nfs/dbraw/zinc/92/82/27/584928227.db2.gz	XQRXRUGMBMJYDL-ZJUUUORDSA-N	0	1	212.293	0.977	20	30		BCEDMN
C[C@@H]1CN(C)CC1=NOC[C@H]1CCOC1	ZINC000788037776	584928228	/nfs/dbraw/zinc/92/82/28/584928228.db2.gz	XQRXRUGMBMJYDL-ZJUUUORDSA-N	0	1	212.293	0.977	20	30		BCEDMN
C=CCOCC(=O)NCc1cc(CC)[nH]n1	ZINC000732794491	584941084	/nfs/dbraw/zinc/94/10/84/584941084.db2.gz	UPLUWMSGTIJMLO-UHFFFAOYSA-N	0	1	223.276	0.791	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2c[nH]nn2)cn1	ZINC000734329702	584959962	/nfs/dbraw/zinc/95/99/62/584959962.db2.gz	OYISENGKFQELHU-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
C=CCCCn1c(N)nc(-c2nn[nH]n2)c1C#N	ZINC000735412979	584976325	/nfs/dbraw/zinc/97/63/25/584976325.db2.gz	NVSZNAUVYNHHKD-UHFFFAOYSA-N	0	1	244.262	0.483	20	30		BCEDMN
C[C@@H](CC#N)Nc1nccnc1-c1nn[nH]n1	ZINC000735964056	584984802	/nfs/dbraw/zinc/98/48/02/584984802.db2.gz	VBFRSEIZGIKWCZ-LURJTMIESA-N	0	1	230.235	0.371	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2nccs2)N1	ZINC000814898178	585023346	/nfs/dbraw/zinc/02/33/46/585023346.db2.gz	RHFPBBVRZUBMKR-LURJTMIESA-N	0	1	209.278	0.414	20	30		BCEDMN
C=CCONC(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000838706789	585065558	/nfs/dbraw/zinc/06/55/58/585065558.db2.gz	CEOQEVLZZSEBEV-JTQLQIEISA-N	0	1	227.308	0.745	20	30		BCEDMN
C=CCONC(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000838706790	585065608	/nfs/dbraw/zinc/06/56/08/585065608.db2.gz	CEOQEVLZZSEBEV-SNVBAGLBSA-N	0	1	227.308	0.745	20	30		BCEDMN
C=CCONC(=O)N1CCN2CCC1CC2	ZINC000838710022	585066498	/nfs/dbraw/zinc/06/64/98/585066498.db2.gz	CCKYYTNGYLAQOH-UHFFFAOYSA-N	0	1	225.292	0.594	20	30		BCEDMN
C=CCONC(=O)NCCN1CCCOCC1	ZINC000838710202	585066602	/nfs/dbraw/zinc/06/66/02/585066602.db2.gz	UMPHSLBHNWPCIR-UHFFFAOYSA-N	0	1	243.307	0.126	20	30		BCEDMN
C#C[C@H]1COCCN1Cc1[nH]ncc1C	ZINC000839188275	585097184	/nfs/dbraw/zinc/09/71/84/585097184.db2.gz	BNLCMICLMFQFFB-JTQLQIEISA-N	0	1	205.261	0.552	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839489957	585105492	/nfs/dbraw/zinc/10/54/92/585105492.db2.gz	XQSSSVBGWKWXOB-MRTMQBJTSA-N	0	1	225.248	0.706	20	30		BCEDMN
N#C[C@H](C(=O)C1=COCC1)C(=O)N1CCCC1	ZINC000744024401	585142332	/nfs/dbraw/zinc/14/23/32/585142332.db2.gz	VBXQXQIWRNFHAR-SNVBAGLBSA-N	0	1	234.255	0.622	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2=CCCCO2)CC1	ZINC000746229085	585166170	/nfs/dbraw/zinc/16/61/70/585166170.db2.gz	HVERSTSURAJKDJ-UHFFFAOYSA-N	0	1	249.314	0.785	20	30		BCEDMN
C#Cc1ccc(C(=O)NCCc2nc[nH]n2)cn1	ZINC000748361277	585191766	/nfs/dbraw/zinc/19/17/66/585191766.db2.gz	NBIHVNZHYCFUKC-UHFFFAOYSA-N	0	1	241.254	0.154	20	30		BCEDMN
Cc1cc(=O)[n-]c(N=NC2C[N@@H+](C)C[C@@H]2C)n1	ZINC000752158466	585242582	/nfs/dbraw/zinc/24/25/82/585242582.db2.gz	YWLYFTXPZZBPJH-ZETCQYMHSA-N	0	1	235.291	0.840	20	30		BCEDMN
Cc1cc(=O)[n-]c(N=NC2C[N@H+](C)C[C@@H]2C)n1	ZINC000752158466	585242583	/nfs/dbraw/zinc/24/25/83/585242583.db2.gz	YWLYFTXPZZBPJH-ZETCQYMHSA-N	0	1	235.291	0.840	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1cccnn1	ZINC000752165967	585243215	/nfs/dbraw/zinc/24/32/15/585243215.db2.gz	NUDZDSAQIHXKHI-QMMMGPOBSA-N	0	1	205.265	0.826	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2c[nH]nn2)[nH]1	ZINC000752503117	585247158	/nfs/dbraw/zinc/24/71/58/585247158.db2.gz	HPSHQEYKXXULEW-UHFFFAOYSA-N	0	1	231.215	0.404	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2cnn[nH]2)[nH]1	ZINC000752503117	585247159	/nfs/dbraw/zinc/24/71/59/585247159.db2.gz	HPSHQEYKXXULEW-UHFFFAOYSA-N	0	1	231.215	0.404	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCc1cc(C)[nH]n1	ZINC000753150206	585254252	/nfs/dbraw/zinc/25/42/52/585254252.db2.gz	PJGTYPMTIDXLST-SECBINFHSA-N	0	1	220.276	0.929	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=NC1=N[C@H]2CCCC[C@@H]2N1	ZINC000753927126	585272045	/nfs/dbraw/zinc/27/20/45/585272045.db2.gz	AKXLWPUIOJSXFV-VWYCJHECSA-N	0	1	249.362	0.784	20	30		BCEDMN
N#CCOc1ccc(CNC2(C(N)=O)CC2)cc1	ZINC000754247270	585281066	/nfs/dbraw/zinc/28/10/66/585281066.db2.gz	HWIMTLBZEIRDST-UHFFFAOYSA-N	0	1	245.282	0.696	20	30		BCEDMN
C#CCN1CCN(C(=O)c2cnc(C)[nH]2)CC1	ZINC000755256610	585296774	/nfs/dbraw/zinc/29/67/74/585296774.db2.gz	JUPAYMSYJGWVFT-UHFFFAOYSA-N	0	1	232.287	0.109	20	30		BCEDMN
Cc1ccc(N=NCc2cn(C)nn2)nc1	ZINC000755688648	585304354	/nfs/dbraw/zinc/30/43/54/585304354.db2.gz	CDUOBTIXEOZMIO-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
Cc1ccc(NN=Cc2cn(C)nn2)nc1	ZINC000755688648	585304355	/nfs/dbraw/zinc/30/43/55/585304355.db2.gz	CDUOBTIXEOZMIO-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
COC[C@H](C)C=Nn1c(=O)c(C)n[nH]c1=S	ZINC000755880580	585309018	/nfs/dbraw/zinc/30/90/18/585309018.db2.gz	PTBQGHYEEUVCGC-ZCFIWIBFSA-N	0	1	242.304	0.352	20	30		BCEDMN
C#CCOCCC(=O)NC1(C#N)CCN(C)CC1	ZINC000755877032	585309044	/nfs/dbraw/zinc/30/90/44/585309044.db2.gz	CBQQYEXWDXLANK-UHFFFAOYSA-N	0	1	249.314	0.130	20	30		BCEDMN
C#CCOCCC(=O)NCc1cc(C)[nH]n1	ZINC000755899554	585309759	/nfs/dbraw/zinc/30/97/59/585309759.db2.gz	URVBUKWBODHNFG-UHFFFAOYSA-N	0	1	221.260	0.374	20	30		BCEDMN
C#CCOCCC(=O)NCc1cc(CC)[nH]n1	ZINC000755899099	585309928	/nfs/dbraw/zinc/30/99/28/585309928.db2.gz	OKAPNOZKLAXMLJ-UHFFFAOYSA-N	0	1	235.287	0.628	20	30		BCEDMN
COC[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000756234923	585316172	/nfs/dbraw/zinc/31/61/72/585316172.db2.gz	ZHVVEQLKRWEPDC-PSASIEDQSA-N	0	1	238.287	0.646	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C1CCOCC1	ZINC000756518184	585320477	/nfs/dbraw/zinc/32/04/77/585320477.db2.gz	VYXGWODEGAYBHN-SCZZXKLOSA-N	0	1	238.287	0.504	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839574414	585330670	/nfs/dbraw/zinc/33/06/70/585330670.db2.gz	KXCDETSGORFCRE-DJLDLDEBSA-N	0	1	225.248	0.660	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839748270	585340313	/nfs/dbraw/zinc/34/03/13/585340313.db2.gz	QUEVGWPCLIBZDV-RNFRBKRXSA-N	0	1	209.205	0.024	20	30		BCEDMN
C#CCNC(=S)N1CCC[N@H+](C)CC1	ZINC000758171860	585351009	/nfs/dbraw/zinc/35/10/09/585351009.db2.gz	KBOINMOYZXUDDX-UHFFFAOYSA-N	0	1	211.334	0.132	20	30		BCEDMN
C#CCNC(=S)N1CCN(CC)[C@H](C)C1	ZINC000758250839	585352952	/nfs/dbraw/zinc/35/29/52/585352952.db2.gz	GCERXDPEBKOCGI-SNVBAGLBSA-N	0	1	225.361	0.520	20	30		BCEDMN
N#C[C@@H](OC(=O)CCc1nc[nH]n1)C1CC1	ZINC000759846996	585381353	/nfs/dbraw/zinc/38/13/53/585381353.db2.gz	CDVDTFVXGKOSTD-MRVPVSSYSA-N	0	1	220.232	0.583	20	30		BCEDMN
Cn1ccnc1NN=Cc1cnc2cnccn12	ZINC000790299389	585384055	/nfs/dbraw/zinc/38/40/55/585384055.db2.gz	DHZNWGFQYVPQFK-UHFFFAOYSA-N	0	1	241.258	0.909	20	30		BCEDMN
C#CCOCCNC(=O)c1cnccc1N(C)C	ZINC000760045118	585384689	/nfs/dbraw/zinc/38/46/89/585384689.db2.gz	MTIKGHIKSQVFRN-UHFFFAOYSA-N	0	1	247.298	0.527	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](C(F)F)C1	ZINC000761109885	585410383	/nfs/dbraw/zinc/41/03/83/585410383.db2.gz	PXZCLOLYLXSNQI-RKDXNWHRSA-N	0	1	230.258	0.711	20	30		BCEDMN
CN1CCC(=N[N-]c2cccc[nH+]2)C1=O	ZINC000761748224	585418329	/nfs/dbraw/zinc/41/83/29/585418329.db2.gz	BWULSWVMOGRAFY-UHFFFAOYSA-N	0	1	204.233	0.712	20	30		BCEDMN
C[C@H]1CC(N=Nc2cnccn2)CN1C	ZINC000761806226	585418842	/nfs/dbraw/zinc/41/88/42/585418842.db2.gz	USAKHRXEJKJSFW-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H]1CC(N=Nc2ncccn2)CN1C	ZINC000761805282	585418846	/nfs/dbraw/zinc/41/88/46/585418846.db2.gz	AIAFJNJCIWLBOV-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
CC(N=Nc1cnn(C)c1)c1cnn(C)c1	ZINC000761870587	585421368	/nfs/dbraw/zinc/42/13/68/585421368.db2.gz	RLWXHTGHIMWKPR-UHFFFAOYSA-N	0	1	218.264	0.990	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC000762044129	585425076	/nfs/dbraw/zinc/42/50/76/585425076.db2.gz	MGYPKLKSPRYHST-NKWVEPMBSA-N	0	1	210.233	0.356	20	30		BCEDMN
N#CC1(OC(=O)CCc2nc[nH]n2)CCC1	ZINC000762096200	585426332	/nfs/dbraw/zinc/42/63/32/585426332.db2.gz	ZWZRZGRQOMUIFO-UHFFFAOYSA-N	0	1	220.232	0.727	20	30		BCEDMN
COc1nccnc1N=NC1C[C@@H](C)N(C)C1	ZINC000763412204	585447593	/nfs/dbraw/zinc/44/75/93/585447593.db2.gz	OFIYCORHUUYIIR-MRVPVSSYSA-N	0	1	235.291	0.977	20	30		BCEDMN
C#CCN(CC[C@@H]1CCS(=O)(=O)C1)C1CC1	ZINC000763951252	585457671	/nfs/dbraw/zinc/45/76/71/585457671.db2.gz	SNOSTFJAJSYQEQ-LLVKDONJSA-N	0	1	241.356	0.909	20	30		BCEDMN
C=C(C[NH+](C)C)C(=O)[N-]O[C@H]1CCCCO1	ZINC000764474859	585466217	/nfs/dbraw/zinc/46/62/17/585466217.db2.gz	JJHOQLIKELYNCH-JTQLQIEISA-N	0	1	228.292	0.679	20	30		BCEDMN
C#CCN(CC)C(=O)[C@H]1CCCCN1C	ZINC000764514245	585467317	/nfs/dbraw/zinc/46/73/17/585467317.db2.gz	JOGLGLKFYYYJJK-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@]12CCOC2	ZINC000764755938	585472745	/nfs/dbraw/zinc/47/27/45/585472745.db2.gz	JXXGYRRLTYMRTI-CWSCBRNRSA-N	0	1	248.282	0.400	20	30		BCEDMN
COc1cccc(C(=O)N=C2C[C@@H](C)ON2)n1	ZINC000765375690	585484419	/nfs/dbraw/zinc/48/44/19/585484419.db2.gz	JXGZGTLXTSTMMF-SSDOTTSWSA-N	0	1	235.243	0.942	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cccnc2N(C)C)=NO1	ZINC000765380887	585484831	/nfs/dbraw/zinc/48/48/31/585484831.db2.gz	OCSHDHAAXZRCJG-QMMMGPOBSA-N	0	1	248.286	1.000	20	30		BCEDMN
Cc1nnc(N=NC2CC[N@H+]3CCC[C@H]23)[n-]c1=O	ZINC000765560243	585489785	/nfs/dbraw/zinc/48/97/85/585489785.db2.gz	PMOYJDKQQWBNBB-SECBINFHSA-N	0	1	248.290	0.522	20	30		BCEDMN
C#CC(=O)N1CCN(CCOC)[C@H](CCC)C1	ZINC000767123239	585514590	/nfs/dbraw/zinc/51/45/90/585514590.db2.gz	NCOZKMGPSOWQCN-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCNC(=O)C1CCN(Cc2cn[nH]c2)CC1	ZINC000769025332	585547617	/nfs/dbraw/zinc/54/76/17/585547617.db2.gz	LRENQGVSVMRMRN-UHFFFAOYSA-N	0	1	246.314	0.371	20	30		BCEDMN
C#CCCN1CCCC[C@H](S(C)(=O)=O)C1	ZINC000770001444	585569162	/nfs/dbraw/zinc/56/91/62/585569162.db2.gz	MDIURDNPMDETHD-NSHDSACASA-N	0	1	229.345	0.909	20	30		BCEDMN
COc1nc(C(=O)O[C@@H](C)C#N)cc(=O)[nH]1	ZINC000770515126	585574858	/nfs/dbraw/zinc/57/48/58/585574858.db2.gz	FVNPNGROIGJTAM-YFKPBYRVSA-N	0	1	223.188	0.260	20	30		BCEDMN
C=CCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770509231	585575243	/nfs/dbraw/zinc/57/52/43/585575243.db2.gz	RQZLEYQCWGSINU-UHFFFAOYSA-N	0	1	210.189	0.534	20	30		BCEDMN
O=C1N=NCN1N=Cc1cc(F)c(O)c(F)c1	ZINC000770614519	585577632	/nfs/dbraw/zinc/57/76/32/585577632.db2.gz	BUZBUJJERINOHS-UHFFFAOYSA-N	0	1	240.169	0.850	20	30		BCEDMN
N#CC(C(=O)Cc1ccco1)C(=O)NC1CC1	ZINC000772646103	585619841	/nfs/dbraw/zinc/61/98/41/585619841.db2.gz	QVJMERJEQJUGHY-SNVBAGLBSA-N	0	1	232.239	0.810	20	30		BCEDMN
C#C[C@H](NC(=O)c1[nH]nc(C)c1C)[C@@H]1CCCO1	ZINC000772883425	585626357	/nfs/dbraw/zinc/62/63/57/585626357.db2.gz	SDHHNMNNZGBSOR-QWRGUYRKSA-N	0	1	247.298	0.937	20	30		BCEDMN
C#CCNC(=O)CN[C@H](CCO)c1ccccc1	ZINC000774858989	585667874	/nfs/dbraw/zinc/66/78/74/585667874.db2.gz	YOPYKVNGCXCSFK-CYBMUJFWSA-N	0	1	246.310	0.449	20	30		BCEDMN
C#CC[C@H](NCC(=O)NCC#N)c1ccccc1	ZINC000775397973	585677652	/nfs/dbraw/zinc/67/76/52/585677652.db2.gz	COYZXRZGOSTHAC-ZDUSSCGKSA-N	0	1	241.294	0.980	20	30		BCEDMN
C#C[C@@H](NCCn1ccccc1=O)[C@H]1CCCO1	ZINC000775792002	585684800	/nfs/dbraw/zinc/68/48/00/585684800.db2.gz	PNGSUVCXERFBJB-CHWSQXEVSA-N	0	1	246.310	0.619	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)NCCC)[C@@H]1CCCO1	ZINC000775794295	585685271	/nfs/dbraw/zinc/68/52/71/585685271.db2.gz	ZRASPCQJROLKFZ-SRVKXCTJSA-N	0	1	238.331	0.672	20	30		BCEDMN
C#C[C@H](NC/C=C(\C)C(=O)OC)[C@H]1CCCO1	ZINC000775797841	585685305	/nfs/dbraw/zinc/68/53/05/585685305.db2.gz	GCYKJLPHDOBDGK-GJKHTVIGSA-N	0	1	237.299	0.876	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2CCCN2C)=NO1	ZINC000777434760	585712035	/nfs/dbraw/zinc/71/20/35/585712035.db2.gz	AWIUFANKBMGCNR-HTQZYQBOSA-N	0	1	211.265	0.319	20	30		BCEDMN
C#CCNC(=O)CN(C)C[C@@H]1CCCC[C@H]1O	ZINC000778247759	585729227	/nfs/dbraw/zinc/72/92/27/585729227.db2.gz	XTMDRMNKXORASZ-NWDGAFQWSA-N	0	1	238.331	0.219	20	30		BCEDMN
CC(C)OCCN=NC1CN(C)C[C@@H]1C	ZINC000778548416	585736963	/nfs/dbraw/zinc/73/69/63/585736963.db2.gz	XAVNDGRHSXUNLV-JTQLQIEISA-N	0	1	213.325	0.939	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)cn2)N1	ZINC000779791434	585763729	/nfs/dbraw/zinc/76/37/29/585763729.db2.gz	COCXHPJOXUXKTF-ZETCQYMHSA-N	0	1	219.248	0.058	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc(O)c2O)N1	ZINC000779793847	585763956	/nfs/dbraw/zinc/76/39/56/585763956.db2.gz	BCVRNUVTUJYQAQ-SSDOTTSWSA-N	0	1	234.259	0.369	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@@H](C)N2)c1O	ZINC000779793251	585764064	/nfs/dbraw/zinc/76/40/64/585764064.db2.gz	YQXSPRISEJSFQB-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(C#N)cc2)N1	ZINC000779792960	585764085	/nfs/dbraw/zinc/76/40/85/585764085.db2.gz	QDSUMTNVJVQSGW-SECBINFHSA-N	0	1	227.271	0.829	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn3cccnc3n2)N1	ZINC000779792540	585764108	/nfs/dbraw/zinc/76/41/08/585764108.db2.gz	SSSQKXJUDMCUMD-MRVPVSSYSA-N	0	1	243.274	0.001	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@H](C)N2)c1	ZINC000779795493	585764354	/nfs/dbraw/zinc/76/43/54/585764354.db2.gz	UXWUHFWYQVKMJO-VIFPVBQESA-N	0	1	232.287	0.966	20	30		BCEDMN
CC(C)n1cc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000779800856	585764808	/nfs/dbraw/zinc/76/48/08/585764808.db2.gz	QTELMDBVMXDOJG-SECBINFHSA-N	0	1	234.307	0.735	20	30		BCEDMN
Cc1nc[nH]c1C=NN[C@@H]1CCCOC1	ZINC000780259876	585775610	/nfs/dbraw/zinc/77/56/10/585775610.db2.gz	GAFACXCDKLDQGN-SECBINFHSA-N	0	1	208.265	0.821	20	30		BCEDMN
CCc1cc(CNC(=O)NC[C@H](C)C#N)n[nH]1	ZINC000781938526	585805613	/nfs/dbraw/zinc/80/56/13/585805613.db2.gz	FMEUNEDYSXGJQW-MRVPVSSYSA-N	0	1	235.291	0.931	20	30		BCEDMN
N#Cc1ccc(CNC(=O)c2cnn[nH]2)nc1	ZINC000782028580	585807018	/nfs/dbraw/zinc/80/70/18/585807018.db2.gz	DZOPZGMHFZWNOE-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
Cc1nc(F)ccc1C=NNC1=NC[C@@H](C)N1	ZINC000782267403	585813429	/nfs/dbraw/zinc/81/34/29/585813429.db2.gz	HUOSOCRRCZMBPA-SSDOTTSWSA-N	0	1	235.266	0.800	20	30		BCEDMN
CO[C@@H]1CN(CC(=O)NCCC#N)CC[C@H]1C	ZINC000784363357	585857312	/nfs/dbraw/zinc/85/73/12/585857312.db2.gz	AFMALYVWAXNYKA-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784493886	585861206	/nfs/dbraw/zinc/86/12/06/585861206.db2.gz	TXFLJMDDGNYVCQ-RQJHMYQMSA-N	0	1	200.213	0.435	20	30		BCEDMN
CC(C)[C@@H](F)C(=O)[C@H](C#N)C(=O)NC1CC1	ZINC000784491565	585861391	/nfs/dbraw/zinc/86/13/91/585861391.db2.gz	VWWAFSBOYTUXKD-DTWKUNHWSA-N	0	1	226.251	0.968	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2CCCN2C2CC2)=NO1	ZINC000787477354	585910160	/nfs/dbraw/zinc/91/01/60/585910160.db2.gz	CSMGPGYRNGRFHX-PSASIEDQSA-N	0	1	237.303	0.852	20	30		BCEDMN
C#CCOCCNC(=O)[C@@H]1CCCN1C1CC1	ZINC000787517051	585910780	/nfs/dbraw/zinc/91/07/80/585910780.db2.gz	XRYQBHKGYYDOSC-LBPRGKRZSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CCC([C@H](O)c2ncc[nH]2)CC1	ZINC000788467382	585924971	/nfs/dbraw/zinc/92/49/71/585924971.db2.gz	GLKUVDFSYMXFLJ-NSHDSACASA-N	0	1	219.288	0.788	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)Nc1c[nH]nn1	ZINC000789925850	585953526	/nfs/dbraw/zinc/95/35/26/585953526.db2.gz	LHIVLCOGHTZGMM-SSDOTTSWSA-N	0	1	210.237	0.724	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N1CC[C@](F)(C#N)C1	ZINC000790045228	585956447	/nfs/dbraw/zinc/95/64/47/585956447.db2.gz	DNTUMSCONJDUJW-VIFPVBQESA-N	0	1	223.211	0.191	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc[nH]c(=O)c1	ZINC000790297335	585962500	/nfs/dbraw/zinc/96/25/00/585962500.db2.gz	JIDVXQNSLKLHQZ-SSDOTTSWSA-N	0	1	233.275	0.449	20	30		BCEDMN
Cn1cc(C=N[N-]c2[nH+]ccn2C)cn1	ZINC000790299665	585962715	/nfs/dbraw/zinc/96/27/15/585962715.db2.gz	GUPOLVWIEHWZAL-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
CC[C@@H](NN=C1C[N@@H+](C2CC2)C[C@H]1C)C(=O)[O-]	ZINC000793055733	586009171	/nfs/dbraw/zinc/00/91/71/586009171.db2.gz	OOWUYWIPBGAMKW-PSASIEDQSA-N	0	1	239.319	0.909	20	30		BCEDMN
CC[C@@H](NN=C1C[N@H+](C2CC2)C[C@H]1C)C(=O)[O-]	ZINC000793055733	586009172	/nfs/dbraw/zinc/00/91/72/586009172.db2.gz	OOWUYWIPBGAMKW-PSASIEDQSA-N	0	1	239.319	0.909	20	30		BCEDMN
C#CCCCNC(=O)NCCN1CC=CCC1	ZINC000793061608	586009485	/nfs/dbraw/zinc/00/94/85/586009485.db2.gz	KTXKLKYXMQJPDM-UHFFFAOYSA-N	0	1	235.331	0.961	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ncncc1F	ZINC000793211179	586013956	/nfs/dbraw/zinc/01/39/56/586013956.db2.gz	IJTWKIBVPOCUDN-ZETCQYMHSA-N	0	1	223.255	0.965	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCCc3nn(C)cc32)N1	ZINC000794529915	586042363	/nfs/dbraw/zinc/04/23/63/586042363.db2.gz	HJIHANGKJFXVPQ-MRVPVSSYSA-N	0	1	246.318	0.398	20	30		BCEDMN
Cc1nc(COC(=O)C2(C#N)CCC2)n[nH]1	ZINC000795414586	586077862	/nfs/dbraw/zinc/07/78/62/586077862.db2.gz	OWYRBAFMRCJHAK-UHFFFAOYSA-N	0	1	220.232	0.850	20	30		BCEDMN
CCN1CCN(CC(=O)NCCC#N)[C@H](C)C1	ZINC000796322235	586100670	/nfs/dbraw/zinc/10/06/70/586100670.db2.gz	IKISVQFOMGQAQB-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2c[nH]nn2)o1	ZINC000796910523	586116925	/nfs/dbraw/zinc/11/69/25/586116925.db2.gz	LKAKYLZJVFIZLI-UHFFFAOYSA-N	0	1	232.199	0.669	20	30		BCEDMN
N#Cc1ccc(C(=O)OCCc2cnn[nH]2)o1	ZINC000796910523	586116926	/nfs/dbraw/zinc/11/69/26/586116926.db2.gz	LKAKYLZJVFIZLI-UHFFFAOYSA-N	0	1	232.199	0.669	20	30		BCEDMN
C#CCOCCOC(=O)[C@H](C(C)C)N(C)C	ZINC000798840537	586151140	/nfs/dbraw/zinc/15/11/40/586151140.db2.gz	BTTFNEQQFVLYKB-NSHDSACASA-N	0	1	227.304	0.766	20	30		BCEDMN
Cc1c[nH]nc1C(=O)N=C1C[C@@H](C)ON1	ZINC000799714101	586193333	/nfs/dbraw/zinc/19/33/33/586193333.db2.gz	GPWHECJSEWQDGX-ZCFIWIBFSA-N	0	1	208.221	0.570	20	30		BCEDMN
C#CCCCN1CC[C@H](S(C)(=O)=O)C1	ZINC000800465611	586221345	/nfs/dbraw/zinc/22/13/45/586221345.db2.gz	DNPGWOUYWMEERP-JTQLQIEISA-N	0	1	215.318	0.519	20	30		BCEDMN
CC#CC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000801217535	586248425	/nfs/dbraw/zinc/24/84/25/586248425.db2.gz	XTDWUPFGPNBJTO-LLVKDONJSA-N	0	1	238.331	0.313	20	30		BCEDMN
CCN(CCO[C@H](C)C#N)[C@@H]1CCNC1=O	ZINC000801953327	586283989	/nfs/dbraw/zinc/28/39/89/586283989.db2.gz	MSMULLHWSIAHQU-NXEZZACHSA-N	0	1	225.292	0.125	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)[C@@H](C(C)C)N(C)C	ZINC000803701934	586370125	/nfs/dbraw/zinc/37/01/25/586370125.db2.gz	YUTFSDCNJPPOFC-NXEZZACHSA-N	0	1	228.292	0.654	20	30		BCEDMN
C=CCNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C	ZINC000806277581	586408794	/nfs/dbraw/zinc/40/87/94/586408794.db2.gz	DFCITMNESAFVHU-QWRGUYRKSA-N	0	1	241.335	0.269	20	30		BCEDMN
C#Cc1cncc(C(=O)N[C@H]2CCCN(C)C2)c1	ZINC000806544665	586414102	/nfs/dbraw/zinc/41/41/02/586414102.db2.gz	AGBQKHFKQDKEQY-ZDUSSCGKSA-N	0	1	243.310	0.887	20	30		BCEDMN
CC(C)n1cc(C=NNC2=NC[C@@H](C)N2)nn1	ZINC000807981864	586454803	/nfs/dbraw/zinc/45/48/03/586454803.db2.gz	TTZBINCKBWJFOJ-MRVPVSSYSA-N	0	1	235.295	0.130	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1	ZINC000809571779	586507078	/nfs/dbraw/zinc/50/70/78/586507078.db2.gz	BSDSJOPBOWVCGK-GHMZBOCLSA-N	0	1	234.303	0.864	20	30		BCEDMN
C[C@@H](C#N)CNN=Cc1cnc(N(C)C)n1C	ZINC000811645258	586562545	/nfs/dbraw/zinc/56/25/45/586562545.db2.gz	GCWLTPXMVQHWCE-VIFPVBQESA-N	0	1	234.307	0.569	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NCc1cc(C)[nH]n1	ZINC000812051803	586569626	/nfs/dbraw/zinc/56/96/26/586569626.db2.gz	ITLOLIRJTIHPRW-SECBINFHSA-N	0	1	220.276	0.881	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OC1CCC1	ZINC000812796044	586586245	/nfs/dbraw/zinc/58/62/45/586586245.db2.gz	PJEFDIXPGDYMPL-NSHDSACASA-N	0	1	222.288	0.684	20	30		BCEDMN
Cc1cc(NN=Cc2cn(C)[nH]c2=O)ncn1	ZINC000814222035	586618197	/nfs/dbraw/zinc/61/81/97/586618197.db2.gz	VRCQKVCKYFNOHY-UHFFFAOYSA-N	0	1	232.247	0.670	20	30		BCEDMN
C(=NNc1cnccn1)c1cncnc1	ZINC000814797872	586635632	/nfs/dbraw/zinc/63/56/32/586635632.db2.gz	XCBRYNUPEGVXPG-UHFFFAOYSA-N	0	1	200.205	0.713	20	30		BCEDMN
Cn1ncc2c1nc[nH+]c2[N-]N=Cc1cocn1	ZINC000814803671	586635821	/nfs/dbraw/zinc/63/58/21/586635821.db2.gz	KHPQUHQVUHGVBW-UHFFFAOYSA-N	0	1	243.230	0.797	20	30		BCEDMN
Cn1ncc2c1ncnc2NN=Cc1cocn1	ZINC000814803671	586635822	/nfs/dbraw/zinc/63/58/22/586635822.db2.gz	KHPQUHQVUHGVBW-UHFFFAOYSA-N	0	1	243.230	0.797	20	30		BCEDMN
C(=NNCCN1CCCCC1)c1cncnc1	ZINC000814808533	586636119	/nfs/dbraw/zinc/63/61/19/586636119.db2.gz	OTMATSZWEDOZIL-UHFFFAOYSA-N	0	1	233.319	0.886	20	30		BCEDMN
CN(C)c1nccc(N=NCc2cnn(C)n2)n1	ZINC000814855243	586639384	/nfs/dbraw/zinc/63/93/84/586639384.db2.gz	IVIKSBYPSKSOLL-UHFFFAOYSA-N	0	1	246.278	0.117	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cccc(CO)c1	ZINC000814897806	586645680	/nfs/dbraw/zinc/64/56/80/586645680.db2.gz	NBSFIMNAGMWLKK-SECBINFHSA-N	0	1	246.314	0.840	20	30		BCEDMN
Cn1ncc(C=[NH+][N-]c2ncccc2F)c1N	ZINC000814927258	586652226	/nfs/dbraw/zinc/65/22/26/586652226.db2.gz	DXURYFNQIRVYSP-UHFFFAOYSA-N	0	1	234.238	0.982	20	30		BCEDMN
C[C@@H](O)CNN=Cc1ccc(N2CCCC2)nc1	ZINC000814960302	586659076	/nfs/dbraw/zinc/65/90/76/586659076.db2.gz	QCVNKSVCYFAHFD-LLVKDONJSA-N	0	1	248.330	0.986	20	30		BCEDMN
Cn1nncc1N=NCc1cccc(O)c1	ZINC000814980859	586662839	/nfs/dbraw/zinc/66/28/39/586662839.db2.gz	NRQIQVIXEULXNL-UHFFFAOYSA-N	0	1	217.232	0.967	20	30		BCEDMN
CCC(=NNc1cnnn1C)c1cn[nH]c1	ZINC000814981670	586663041	/nfs/dbraw/zinc/66/30/41/586663041.db2.gz	FNKMSPGYBJXEAX-UHFFFAOYSA-N	0	1	219.252	0.764	20	30		BCEDMN
Cn1nncc1NN=C1CCCc2c[nH]nc21	ZINC000814981184	586663101	/nfs/dbraw/zinc/66/31/01/586663101.db2.gz	YFUVRFOQNWCWDJ-UHFFFAOYSA-N	0	1	231.263	0.691	20	30		BCEDMN
C=CCOCCN(C)[C@@H]1CCCCNC1=O	ZINC000815037122	586664545	/nfs/dbraw/zinc/66/45/45/586664545.db2.gz	FJTIFACVPOWDFK-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
Cc1cc(CC(=O)OCCOCCC#N)n[nH]1	ZINC000815217732	586673912	/nfs/dbraw/zinc/67/39/12/586673912.db2.gz	IWORTCDKTCSWHG-UHFFFAOYSA-N	0	1	237.259	0.734	20	30		BCEDMN
C=CCC(F)(F)C(=O)N(C)Cc1nnc[nH]1	ZINC000815666861	586691114	/nfs/dbraw/zinc/69/11/14/586691114.db2.gz	KNRXIPVYHUCBER-UHFFFAOYSA-N	0	1	230.218	0.975	20	30		BCEDMN
N#Cc1ccc(NCC(=O)Nc2c[nH]nn2)cc1	ZINC000816316856	586717354	/nfs/dbraw/zinc/71/73/54/586717354.db2.gz	CAEBMNXIJADGNU-UHFFFAOYSA-N	0	1	242.242	0.727	20	30		BCEDMN
CCOC(=O)c1c[nH]c(NC(=O)C=NOC)n1	ZINC000816536197	586739495	/nfs/dbraw/zinc/73/94/95/586739495.db2.gz	OCBWIQGEZGEGCE-UHFFFAOYSA-N	0	1	240.219	0.157	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000817165637	586784938	/nfs/dbraw/zinc/78/49/38/586784938.db2.gz	OGCLTFVKIMNKFG-GHMZBOCLSA-N	0	1	223.320	0.744	20	30		BCEDMN
O[C@@H]1CCC[C@H]1NN=C1CCN2CCC[C@H]12	ZINC000817335416	586796893	/nfs/dbraw/zinc/79/68/93/586796893.db2.gz	DSXUJLSGTLUQQT-IJLUTSLNSA-N	0	1	223.320	0.714	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000817680986	586817597	/nfs/dbraw/zinc/81/75/97/586817597.db2.gz	BLZYQACLFKKKJK-ZJUUUORDSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)CCO)nn1	ZINC000818346712	586887307	/nfs/dbraw/zinc/88/73/07/586887307.db2.gz	NCPHOHXSOMGKQN-VIFPVBQESA-N	0	1	210.281	0.325	20	30		BCEDMN
C=C(CO)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000818615531	586906606	/nfs/dbraw/zinc/90/66/06/586906606.db2.gz	OKXMVNIJXAMQPA-AOOOYVTPSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1CC	ZINC000818969898	586918533	/nfs/dbraw/zinc/91/85/33/586918533.db2.gz	BEQAXSWZPYDDOF-LBPRGKRZSA-N	0	1	239.363	0.657	20	30		BCEDMN
CC(C)n1cncc1C=NNC1=NCCN1	ZINC000819812677	586995468	/nfs/dbraw/zinc/99/54/68/586995468.db2.gz	GANQFYVQKUTJFG-UHFFFAOYSA-N	0	1	220.280	0.347	20	30		BCEDMN
CC(C)n1cncc1C=NNC1=NC[C@H](C)N1	ZINC000819813062	586998190	/nfs/dbraw/zinc/99/81/90/586998190.db2.gz	RQOOOBBLINIMSU-VIFPVBQESA-N	0	1	234.307	0.735	20	30		BCEDMN
C#CC(C)(C)NC(=O)CCCc1nn[nH]n1	ZINC000819972175	587009577	/nfs/dbraw/zinc/00/95/77/587009577.db2.gz	YFYKOSAQEVFZIE-UHFFFAOYSA-N	0	1	221.264	0.050	20	30		BCEDMN
C#CCSCCNC(=O)CN1CCCC1	ZINC000820192967	587033467	/nfs/dbraw/zinc/03/34/67/587033467.db2.gz	IXQMJYFYSYUBIP-UHFFFAOYSA-N	0	1	226.345	0.565	20	30		BCEDMN
C#CCSCCNC(=O)[C@@H](C)N(C)C	ZINC000820193386	587033743	/nfs/dbraw/zinc/03/37/43/587033743.db2.gz	XBAWRFSAJPYIIU-SECBINFHSA-N	0	1	214.334	0.419	20	30		BCEDMN
C#CCNC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000820208700	587035242	/nfs/dbraw/zinc/03/52/42/587035242.db2.gz	SKLFMSYNSXSNTK-UHFFFAOYSA-N	0	1	219.248	0.115	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(CC2CC2)CC1	ZINC000820439578	587049254	/nfs/dbraw/zinc/04/92/54/587049254.db2.gz	AOPSLXZRVJKXKL-LLVKDONJSA-N	0	1	235.331	0.745	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CCCc1nn[nH]n1	ZINC000822406071	587166479	/nfs/dbraw/zinc/16/64/79/587166479.db2.gz	BOBOBMFRCYKLKI-MRVPVSSYSA-N	0	1	221.264	0.050	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCCC1	ZINC000823376872	587218512	/nfs/dbraw/zinc/21/85/12/587218512.db2.gz	JWHCPGZPDLPNJS-NEPJUHHUSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CN1CCCC1	ZINC000823438160	587221859	/nfs/dbraw/zinc/22/18/59/587221859.db2.gz	CNXPJILMWKWGHY-NSHDSACASA-N	0	1	226.320	0.526	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823497132	587227508	/nfs/dbraw/zinc/22/75/08/587227508.db2.gz	WMWUOQQYQCDMSQ-GHMZBOCLSA-N	0	1	242.319	0.998	20	30		BCEDMN
N#CC1(CNC(=O)CN2CCCC2)CCC1	ZINC000823696035	587236686	/nfs/dbraw/zinc/23/66/86/587236686.db2.gz	XNOIBCSVMQEKBP-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
C=CCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000823937188	587246501	/nfs/dbraw/zinc/24/65/01/587246501.db2.gz	LRZIOCVOKWJQJP-UHFFFAOYSA-N	0	1	201.193	0.121	20	30		BCEDMN
C#CC1CCN(C(=O)[C@@H](C)N(C)C)CC1	ZINC000824036404	587250538	/nfs/dbraw/zinc/25/05/38/587250538.db2.gz	LNIFTKFETYLAPF-SNVBAGLBSA-N	0	1	208.305	0.808	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1nn(CC)nc1C	ZINC000824066007	587253338	/nfs/dbraw/zinc/25/33/38/587253338.db2.gz	KNJUCHUJQHYJKZ-LLVKDONJSA-N	0	1	238.335	0.881	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCCc1nn[nH]n1	ZINC000824232509	587261533	/nfs/dbraw/zinc/26/15/33/587261533.db2.gz	JQAPRWQCFNVYIZ-SSDOTTSWSA-N	0	1	225.252	0.145	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CN1CCCC1	ZINC000825080977	587303415	/nfs/dbraw/zinc/30/34/15/587303415.db2.gz	YZQKGSFJEVODOX-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CC[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825625586	587327675	/nfs/dbraw/zinc/32/76/75/587327675.db2.gz	IPOFNUIUYPPRMB-LLVKDONJSA-N	0	1	214.224	0.907	20	30		BCEDMN
CC#CC[N@H+](C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825710887	587333295	/nfs/dbraw/zinc/33/32/95/587333295.db2.gz	GDEUQASRDMWEFC-SNVBAGLBSA-N	0	1	213.277	0.820	20	30		BCEDMN
CC#CC[N@@H+](C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825710887	587333297	/nfs/dbraw/zinc/33/32/97/587333297.db2.gz	GDEUQASRDMWEFC-SNVBAGLBSA-N	0	1	213.277	0.820	20	30		BCEDMN
C#CC(C)(C)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000827633893	587393375	/nfs/dbraw/zinc/39/33/75/587393375.db2.gz	DXNCYFCYCOOUFG-MRVPVSSYSA-N	0	1	232.287	0.753	20	30		BCEDMN
C#CCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000827687076	587396325	/nfs/dbraw/zinc/39/63/25/587396325.db2.gz	KKZGGFVYDZFHCL-MRVPVSSYSA-N	0	1	218.260	0.364	20	30		BCEDMN
C#Cc1cnc(N2C[C@H](C)N(C)C[C@@H]2C)nc1	ZINC000827852100	587405667	/nfs/dbraw/zinc/40/56/67/587405667.db2.gz	JDLWEAZQCPGLBJ-QWRGUYRKSA-N	0	1	230.315	0.987	20	30		BCEDMN
CN(C)CC#CCNC(=O)CC1(C)COC1	ZINC000827972309	587411870	/nfs/dbraw/zinc/41/18/70/587411870.db2.gz	YUHXSNVTLFSWQB-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
CN(C)CC#CCNC(=O)COC(F)(F)F	ZINC000827971951	587414093	/nfs/dbraw/zinc/41/40/93/587414093.db2.gz	MZEIDKVUTPTZGY-UHFFFAOYSA-N	0	1	238.209	0.204	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@]12C[C@H]1CCC2	ZINC000827971859	587414199	/nfs/dbraw/zinc/41/41/99/587414199.db2.gz	JZWZEIXXHPGDPJ-DGCLKSJQSA-N	0	1	220.316	0.858	20	30		BCEDMN
CN(C)C1CN(C(=O)C#Cc2cccs2)C1	ZINC000828012107	587416379	/nfs/dbraw/zinc/41/63/79/587416379.db2.gz	HHQCFIDKJKDXHC-UHFFFAOYSA-N	0	1	234.324	0.872	20	30		BCEDMN
C#C[C@H](NCC[S@](C)=O)[C@H]1CCCO1	ZINC000828306918	587433274	/nfs/dbraw/zinc/43/32/74/587433274.db2.gz	KDAULUNMKSCSLH-RBZYPMLTSA-N	0	1	215.318	0.135	20	30		BCEDMN
C#C[C@H](NCC[S@](C)=O)[C@@H]1CCCO1	ZINC000828306915	587433414	/nfs/dbraw/zinc/43/34/14/587433414.db2.gz	KDAULUNMKSCSLH-BHDSKKPTSA-N	0	1	215.318	0.135	20	30		BCEDMN
C#C[C@H](NCC[S@@](C)=O)[C@H]1CCCO1	ZINC000828306916	587433492	/nfs/dbraw/zinc/43/34/92/587433492.db2.gz	KDAULUNMKSCSLH-IMSIIYSGSA-N	0	1	215.318	0.135	20	30		BCEDMN
C#CCSCCNC(=O)C1=NC(=O)N(C)C1	ZINC000828459426	587443799	/nfs/dbraw/zinc/44/37/99/587443799.db2.gz	LZPDGODZAXTTFR-UHFFFAOYSA-N	0	1	239.300	0.222	20	30		BCEDMN
C#CCSCCNC(=O)Cc1n[nH]c(C)n1	ZINC000828459182	587444023	/nfs/dbraw/zinc/44/40/23/587444023.db2.gz	IYCWVZSIBYSUHW-UHFFFAOYSA-N	0	1	238.316	0.138	20	30		BCEDMN
C#CCN(CC#CC)C(=O)C1=NC(=O)N(C)C1	ZINC000828825538	587464656	/nfs/dbraw/zinc/46/46/56/587464656.db2.gz	RTNBWACOYWHHJU-UHFFFAOYSA-N	0	1	231.255	0.224	20	30		BCEDMN
COc1cccnc1C(=O)NC1=NO[C@@H](C)C1	ZINC000867063250	587504223	/nfs/dbraw/zinc/50/42/23/587504223.db2.gz	RVKSWRIVEDQMHT-ZETCQYMHSA-N	0	1	235.243	0.942	20	30		BCEDMN
COc1cccnc1C(=O)NC1=NO[C@H](C)C1	ZINC000867063249	587504661	/nfs/dbraw/zinc/50/46/61/587504661.db2.gz	RVKSWRIVEDQMHT-SSDOTTSWSA-N	0	1	235.243	0.942	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2csc(CO)n2)NO1	ZINC000867063100	587505685	/nfs/dbraw/zinc/50/56/85/587505685.db2.gz	NVCSZTFLFIFSJJ-YFKPBYRVSA-N	0	1	241.272	0.488	20	30		BCEDMN
CC[N@H+](CC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1	ZINC000829635824	587507116	/nfs/dbraw/zinc/50/71/16/587507116.db2.gz	VCGNMIOVAXZMRA-GFCCVEGCSA-N	0	1	248.282	0.998	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cc(CO)on2)NO1	ZINC000867063400	587507435	/nfs/dbraw/zinc/50/74/35/587507435.db2.gz	XHVOAEBHAMVBDG-YFKPBYRVSA-N	0	1	225.204	0.019	20	30		BCEDMN
CC[N@@H+](CCO)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829713394	587511273	/nfs/dbraw/zinc/51/12/73/587511273.db2.gz	FGZHAFRYMOZQHP-LBPRGKRZSA-N	0	1	248.282	0.998	20	30		BCEDMN
CCOC(CN1CC[C@](O)(CC#N)C1)OCC	ZINC000829992174	587531317	/nfs/dbraw/zinc/53/13/17/587531317.db2.gz	STTGMKSHBLMOKG-GFCCVEGCSA-N	0	1	242.319	0.736	20	30		BCEDMN
C#CCN1CC[C@@](C(=O)NC)(C(F)(F)F)C1	ZINC000830674336	587563738	/nfs/dbraw/zinc/56/37/38/587563738.db2.gz	MBUUCQYALXAAPO-SECBINFHSA-N	0	1	234.221	0.620	20	30		BCEDMN
C#CC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1	ZINC000830833090	587572938	/nfs/dbraw/zinc/57/29/38/587572938.db2.gz	MPCZOEZRZWMGHE-SECBINFHSA-N	0	1	248.204	0.289	20	30		BCEDMN
C=CCCOCCNC(=O)C1=NC(=O)N(C)C1	ZINC000831224704	587593110	/nfs/dbraw/zinc/59/31/10/587593110.db2.gz	OTTYIJJTEVDRDK-UHFFFAOYSA-N	0	1	239.275	0.448	20	30		BCEDMN
C#C[C@H](NC(=O)C1=NC(=O)N(C)C1)[C@H]1CCCO1	ZINC000832418415	587659009	/nfs/dbraw/zinc/65/90/09/587659009.db2.gz	OUMRIQYJANFLNY-WCBMZHEXSA-N	0	1	249.270	0.036	20	30		BCEDMN
C#C[C@H](NC(=O)C1=NC(=O)N(C)C1)[C@@H]1CCCO1	ZINC000832418416	587659046	/nfs/dbraw/zinc/65/90/46/587659046.db2.gz	OUMRIQYJANFLNY-WPRPVWTQSA-N	0	1	249.270	0.036	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000833368185	587706287	/nfs/dbraw/zinc/70/62/87/587706287.db2.gz	BSEIPFLNJBQREU-ONGXEEELSA-N	0	1	213.277	0.720	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000833368182	587709271	/nfs/dbraw/zinc/70/92/71/587709271.db2.gz	BSEIPFLNJBQREU-GXSJLCMTSA-N	0	1	213.277	0.720	20	30		BCEDMN
C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000833368231	587709362	/nfs/dbraw/zinc/70/93/62/587709362.db2.gz	DAMIQKYFTVLASH-ZJUUUORDSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000833368231	587709364	/nfs/dbraw/zinc/70/93/64/587709364.db2.gz	DAMIQKYFTVLASH-ZJUUUORDSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)C[N@@H+](C)CCC(=O)NCC(=O)[O-]	ZINC000833368610	587709410	/nfs/dbraw/zinc/70/94/10/587709410.db2.gz	MVOWMCVWSIVKPH-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C=C(C)C[N@H+](C)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833368992	587709559	/nfs/dbraw/zinc/70/95/59/587709559.db2.gz	ZQGMGMHWVUTJLY-VIFPVBQESA-N	0	1	226.276	0.385	20	30		BCEDMN
C=C(C)C[N@@H+](C)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833368992	587709561	/nfs/dbraw/zinc/70/95/61/587709561.db2.gz	ZQGMGMHWVUTJLY-VIFPVBQESA-N	0	1	226.276	0.385	20	30		BCEDMN
C=CCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833376796	587711082	/nfs/dbraw/zinc/71/10/82/587711082.db2.gz	CLSQWQGAHSJPTN-SNVBAGLBSA-N	0	1	212.293	0.653	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833377133	587711316	/nfs/dbraw/zinc/71/13/16/587711316.db2.gz	NJTPTKLHUADWOE-DTWKUNHWSA-N	0	1	227.260	0.511	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CCSCC1	ZINC000834488656	587755913	/nfs/dbraw/zinc/75/59/13/587755913.db2.gz	FTDQKVNLKKSCLW-NXEZZACHSA-N	0	1	239.344	0.357	20	30		BCEDMN
Cc1cc(F)ccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834480230	587756026	/nfs/dbraw/zinc/75/60/26/587756026.db2.gz	MYWCCALRECBZEY-CABZTGNLSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC1(C)C(C(=O)N[C@@H]2CNC[C@H]2C#N)C1(C)C	ZINC000834479404	587756077	/nfs/dbraw/zinc/75/60/77/587756077.db2.gz	DJOKJFQDLNTATD-RKDXNWHRSA-N	0	1	235.331	0.896	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CC(F)(F)C1	ZINC000834479313	587756161	/nfs/dbraw/zinc/75/61/61/587756161.db2.gz	CHVFXZOUIISVCC-HTQZYQBOSA-N	0	1	229.230	0.259	20	30		BCEDMN
Cc1nc(C)c(C(=O)N[C@@H]2CNC[C@H]2C#N)o1	ZINC000834479252	587756242	/nfs/dbraw/zinc/75/62/42/587756242.db2.gz	BOBRMHUDUFEIHH-RKDXNWHRSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cncc(F)c1	ZINC000834480536	587756414	/nfs/dbraw/zinc/75/64/14/587756414.db2.gz	RSMUSJRKXAUTPI-SCZZXKLOSA-N	0	1	234.234	0.062	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C(C)(C)C	ZINC000834488740	587756737	/nfs/dbraw/zinc/75/67/37/587756737.db2.gz	GIJZMYQTAFVURO-KXUCPTDWSA-N	0	1	223.320	0.896	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC1CCOCC1	ZINC000834489751	587756886	/nfs/dbraw/zinc/75/68/86/587756886.db2.gz	PCIYUXHAZGCYGE-MNOVXSKESA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1cncc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834490538	587757094	/nfs/dbraw/zinc/75/70/94/587757094.db2.gz	VQRWPFIGZZPSKP-QWRGUYRKSA-N	0	1	230.271	0.231	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC1CCOCC1	ZINC000834489750	587757112	/nfs/dbraw/zinc/75/71/12/587757112.db2.gz	PCIYUXHAZGCYGE-GHMZBOCLSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1cccc(N)c1	ZINC000834493817	587757176	/nfs/dbraw/zinc/75/71/76/587757176.db2.gz	HSPLABXRCLMNEE-CMPLNLGQSA-N	0	1	244.298	0.039	20	30		BCEDMN
CC(C)c1ocnc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834489181	587757227	/nfs/dbraw/zinc/75/72/27/587757227.db2.gz	KHGCUHKMATYWTH-IUCAKERBSA-N	0	1	248.286	0.639	20	30		BCEDMN
CC(C)CO[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834495728	587757282	/nfs/dbraw/zinc/75/72/82/587757282.db2.gz	YRUKDZVZMZZLDI-VWYCJHECSA-N	0	1	239.319	0.275	20	30		BCEDMN
CC(C)n1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)cn1	ZINC000834498816	587757334	/nfs/dbraw/zinc/75/73/34/587757334.db2.gz	BUXWSVRAYDTJRF-MWLCHTKSSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\c1ccsc1	ZINC000834499394	587757414	/nfs/dbraw/zinc/75/74/14/587757414.db2.gz	IALPUWLWZQAZIK-OVVPUXAQSA-N	0	1	247.323	0.989	20	30		BCEDMN
CCn1nc(C)cc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834494517	587757449	/nfs/dbraw/zinc/75/74/49/587757449.db2.gz	NRPQIPNIHBBYFC-NXEZZACHSA-N	0	1	247.302	0.053	20	30		BCEDMN
Cc1nscc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834499432	587757510	/nfs/dbraw/zinc/75/75/10/587757510.db2.gz	IKXCYEXMYGSEGE-CBAPKCEASA-N	0	1	236.300	0.293	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)no1	ZINC000834498880	587757569	/nfs/dbraw/zinc/75/75/69/587757569.db2.gz	CNSAWMMWTUQLJD-WCBMZHEXSA-N	0	1	248.286	0.639	20	30		BCEDMN
Cc1cccc(CC(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000834495666	587757664	/nfs/dbraw/zinc/75/76/64/587757664.db2.gz	XNWLQVPYJBGOMN-OLZOCXBDSA-N	0	1	243.310	0.765	20	30		BCEDMN
CO[C@H](C)CCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834500338	587757674	/nfs/dbraw/zinc/75/76/74/587757674.db2.gz	SENPHXQEOLARSK-OPRDCNLKSA-N	0	1	225.292	0.029	20	30		BCEDMN
CCc1noc(C)c1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834500594	587757689	/nfs/dbraw/zinc/75/76/89/587757689.db2.gz	UZCARSWIKVGPLE-WCBMZHEXSA-N	0	1	248.286	0.387	20	30		BCEDMN
Cc1noc(C)c1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834505102	587757724	/nfs/dbraw/zinc/75/77/24/587757724.db2.gz	HXQWZYRKDDVETL-RKDXNWHRSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1conc1C1CC1	ZINC000834500546	587757755	/nfs/dbraw/zinc/75/77/55/587757755.db2.gz	ULORCEHZBIUJCP-WCBMZHEXSA-N	0	1	246.270	0.393	20	30		BCEDMN
COc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1	ZINC000834505436	587757946	/nfs/dbraw/zinc/75/79/46/587757946.db2.gz	KUQVKUUJFVKXOG-JQWIXIFHSA-N	0	1	245.282	0.537	20	30		BCEDMN
Cc1ccoc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834510493	587758079	/nfs/dbraw/zinc/75/80/79/587758079.db2.gz	BPUYIOSUMSPXMC-IUCAKERBSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1cccc(F)c1	ZINC000834506969	587758081	/nfs/dbraw/zinc/75/80/81/587758081.db2.gz	WSQUIQKAGBNUBT-JQWIXIFHSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)n1C	ZINC000834511548	587758182	/nfs/dbraw/zinc/75/81/82/587758182.db2.gz	MFKZJDFDIHHQFD-UWVGGRQHSA-N	0	1	232.287	0.175	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1F	ZINC000834510823	587758226	/nfs/dbraw/zinc/75/82/26/587758226.db2.gz	FTCBTKMJLXZXBI-CMPLNLGQSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(F)c1	ZINC000834511205	587758261	/nfs/dbraw/zinc/75/82/61/587758261.db2.gz	JKDXTKZOPWCPLR-MWLCHTKSSA-N	0	1	233.246	0.667	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)o1	ZINC000834512035	587758325	/nfs/dbraw/zinc/75/83/25/587758325.db2.gz	RDXBOBHOOYBPFM-MWLCHTKSSA-N	0	1	233.271	0.738	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1	ZINC000834511149	587758406	/nfs/dbraw/zinc/75/84/06/587758406.db2.gz	ISOUVPBMGCAYPY-QWHCGFSZSA-N	0	1	243.310	0.765	20	30		BCEDMN
Cc1noc(C)c1CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834512617	587758424	/nfs/dbraw/zinc/75/84/24/587758424.db2.gz	ZHCIPBXCEAULGO-MWLCHTKSSA-N	0	1	248.286	0.062	20	30		BCEDMN
COCc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)o1	ZINC000834517584	587758466	/nfs/dbraw/zinc/75/84/66/587758466.db2.gz	XHHDKDREQOSLCO-WPRPVWTQSA-N	0	1	249.270	0.267	20	30		BCEDMN
CC(C)(C)SCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834516534	587758712	/nfs/dbraw/zinc/75/87/12/587758712.db2.gz	JQPIHWKRUINQTI-RKDXNWHRSA-N	0	1	241.360	0.746	20	30		BCEDMN
CC(C)(C)SCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834516533	587758723	/nfs/dbraw/zinc/75/87/23/587758723.db2.gz	JQPIHWKRUINQTI-IUCAKERBSA-N	0	1	241.360	0.746	20	30		BCEDMN
CN1CCN(NC=C2CC2(F)F)CC1	ZINC000834914797	587770492	/nfs/dbraw/zinc/77/04/92/587770492.db2.gz	UHZUDSOTFAIFSM-MRVPVSSYSA-N	0	1	203.236	0.875	20	30		BCEDMN
C=CCO[N-]C(=O)C[N@H+](C)[C@@H]1CCSC1	ZINC000837045888	587850104	/nfs/dbraw/zinc/85/01/04/587850104.db2.gz	CNVKRVXTBPRNSM-SECBINFHSA-N	0	1	230.333	0.658	20	30		BCEDMN
CN1CCN(C(=O)C#CC2CC2)C(C)(C)C1	ZINC000837506594	587878511	/nfs/dbraw/zinc/87/85/11/587878511.db2.gz	AWHWHODVEAWPOP-UHFFFAOYSA-N	0	1	220.316	0.952	20	30		BCEDMN
Cc1cc(NC(=O)N[C@H]2CNC[C@H]2C#N)ccn1	ZINC000841166225	587947966	/nfs/dbraw/zinc/94/79/66/587947966.db2.gz	MBDYIGABUZQRNP-KOLCDFICSA-N	0	1	245.286	0.045	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000867255192	587949238	/nfs/dbraw/zinc/94/92/38/587949238.db2.gz	ZYUKHQJMDCVTMM-SECBINFHSA-N	0	1	209.249	0.478	20	30		BCEDMN
Cc1occc1C=NNC1=NC[C@H](C)N1	ZINC000841633599	587962845	/nfs/dbraw/zinc/96/28/45/587962845.db2.gz	LNVLOMBRCMXXNB-ZETCQYMHSA-N	0	1	206.249	0.859	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(O)c(F)c1	ZINC000841658426	587968592	/nfs/dbraw/zinc/96/85/92/587968592.db2.gz	AEGIULPFGYGGLI-UHFFFAOYSA-N	0	1	236.250	0.804	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccc2c(c1)CCO2	ZINC000841658519	587968682	/nfs/dbraw/zinc/96/86/82/587968682.db2.gz	FCFHGWMULKBFBA-UHFFFAOYSA-N	0	1	230.271	0.504	20	30		BCEDMN
CC(C)(O)c1ccc(C=NNC2=NCCN2)cc1	ZINC000841661315	587970060	/nfs/dbraw/zinc/97/00/60/587970060.db2.gz	WTIGCRMVSKNISO-UHFFFAOYSA-N	0	1	246.314	0.797	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cn2ccccc2n1	ZINC000841662504	587970879	/nfs/dbraw/zinc/97/08/79/587970879.db2.gz	YDLSNPNCEKPOAP-UHFFFAOYSA-N	0	1	242.286	0.607	20	30		BCEDMN
C=CCONC(=O)N1CCNC(C)(C)C1	ZINC000841913446	587985008	/nfs/dbraw/zinc/98/50/08/587985008.db2.gz	NJVNBBHOLMQBGN-UHFFFAOYSA-N	0	1	213.281	0.497	20	30		BCEDMN
CC(C)[C@@H](C#N)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842298138	588015243	/nfs/dbraw/zinc/01/52/43/588015243.db2.gz	DVPLRBIUTICKFW-BWZBUEFSSA-N	0	1	212.205	0.743	20	30		BCEDMN
CCCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000842618324	588046141	/nfs/dbraw/zinc/04/61/41/588046141.db2.gz	XRSNWVFBZKIJBW-UHFFFAOYSA-N	0	1	221.260	0.989	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CCC(C#C)CC2)C1=O	ZINC000843270531	588096358	/nfs/dbraw/zinc/09/63/58/588096358.db2.gz	WTYWNMDDDSZGGJ-GFCCVEGCSA-N	0	1	244.294	0.092	20	30		BCEDMN
CCC/C(C)=C\C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843458886	588111742	/nfs/dbraw/zinc/11/17/42/588111742.db2.gz	AVPCVUMAEQEOAA-XFDQCWFDSA-N	0	1	221.304	0.961	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1(C(F)F)CC1	ZINC000843461707	588112570	/nfs/dbraw/zinc/11/25/70/588112570.db2.gz	WHDYCANUYPUPPM-RQJHMYQMSA-N	0	1	229.230	0.259	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1(C(F)F)CC1	ZINC000843461705	588112691	/nfs/dbraw/zinc/11/26/91/588112691.db2.gz	WHDYCANUYPUPPM-NKWVEPMBSA-N	0	1	229.230	0.259	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccn1	ZINC000843461502	588112752	/nfs/dbraw/zinc/11/27/52/588112752.db2.gz	VDKOJGDDUPBGPE-JBLDHEPKSA-N	0	1	244.298	0.413	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\c1ccco1	ZINC000843461640	588112809	/nfs/dbraw/zinc/11/28/09/588112809.db2.gz	MNLTWOUBNXTEJM-QKXNICGJSA-N	0	1	231.255	0.521	20	30		BCEDMN
Cc1c[nH]cc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000843464235	588113077	/nfs/dbraw/zinc/11/30/77/588113077.db2.gz	ZXVXOBMFOKVZRW-WCBMZHEXSA-N	0	1	218.260	0.165	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1	ZINC000844004764	588154795	/nfs/dbraw/zinc/15/47/95/588154795.db2.gz	FLFRNHGHJVUJCB-JTQLQIEISA-N	0	1	232.287	0.989	20	30		BCEDMN
CC[C@H](SC)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000844194839	588172620	/nfs/dbraw/zinc/17/26/20/588172620.db2.gz	NMEOFHHTARWYHE-VGMNWLOBSA-N	0	1	227.333	0.356	20	30		BCEDMN
CC[C@H](SC)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000844194837	588172835	/nfs/dbraw/zinc/17/28/35/588172835.db2.gz	NMEOFHHTARWYHE-CIUDSAMLSA-N	0	1	227.333	0.356	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\c1cccnc1	ZINC000844194236	588172895	/nfs/dbraw/zinc/17/28/95/588172895.db2.gz	CRUMBZJDLGFYGL-BKGLOODYSA-N	0	1	242.282	0.323	20	30		BCEDMN
C#CCNCC(=O)NCCOc1cccc(C)c1	ZINC000105861471	588226939	/nfs/dbraw/zinc/22/69/39/588226939.db2.gz	GNSRWVCKTTXOEP-UHFFFAOYSA-N	0	1	246.310	0.713	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@@H]1CCCN(C)C1	ZINC000845639465	588239291	/nfs/dbraw/zinc/23/92/91/588239291.db2.gz	PXDAKZKPLFYYCT-VHSXEESVSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N1CCCN(C)CC1	ZINC000845639161	588239321	/nfs/dbraw/zinc/23/93/21/588239321.db2.gz	OQCBFBDODHBYFJ-JTQLQIEISA-N	0	1	227.308	0.840	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)N1CC[NH+](C)CC1	ZINC000846546149	588274315	/nfs/dbraw/zinc/27/43/15/588274315.db2.gz	SGJNGQJKHWPFIW-GHMZBOCLSA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)[NH+]1CCN(C)CC1	ZINC000846546149	588274316	/nfs/dbraw/zinc/27/43/16/588274316.db2.gz	SGJNGQJKHWPFIW-GHMZBOCLSA-N	0	1	241.335	0.245	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@H]1CN(CC)C(=O)O1	ZINC000846880082	588295177	/nfs/dbraw/zinc/29/51/77/588295177.db2.gz	SNQUEASAZRAHMN-UWVGGRQHSA-N	0	1	210.277	0.781	20	30		BCEDMN
C#C[C@@H]1CCCN(CCS(=O)(=O)N(C)C)C1	ZINC000847018484	588302079	/nfs/dbraw/zinc/30/20/79/588302079.db2.gz	KJPCTZRLYOYYGT-LLVKDONJSA-N	0	1	244.360	0.223	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N(C)C2CC2)C1	ZINC000847021485	588302743	/nfs/dbraw/zinc/30/27/43/588302743.db2.gz	MMAJESGOGOTJBQ-NSHDSACASA-N	0	1	220.316	0.952	20	30		BCEDMN
CC[C@@H](C#N)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000847174855	588308664	/nfs/dbraw/zinc/30/86/64/588308664.db2.gz	OTBICFFYAJUUNV-XLPZGREQSA-N	0	1	211.221	0.412	20	30		BCEDMN
C#CCCCC(=O)NCCc1nc[nH]n1	ZINC000848152749	588361639	/nfs/dbraw/zinc/36/16/39/588361639.db2.gz	LRHALKNUXYNWOR-UHFFFAOYSA-N	0	1	206.249	0.267	20	30		BCEDMN
C=CCONC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000848200371	588365860	/nfs/dbraw/zinc/36/58/60/588365860.db2.gz	KQKIQNCOVHCLQD-MRVPVSSYSA-N	0	1	209.249	0.822	20	30		BCEDMN
C=C(C)CO[N-]C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000848244427	588367016	/nfs/dbraw/zinc/36/70/16/588367016.db2.gz	HUZVWBDPJNNKOL-SNVBAGLBSA-N	0	1	212.293	0.952	20	30		BCEDMN
O=C([O-])CNN=C1CCC[N@H+]2CCCC[C@@H]12	ZINC000848409753	588379456	/nfs/dbraw/zinc/37/94/56/588379456.db2.gz	CSRYIIQLXMSRHU-JTQLQIEISA-N	0	1	225.292	0.665	20	30		BCEDMN
C=C(C)CNC(=S)N(C)CC1CN(C)C1	ZINC000849289814	588469940	/nfs/dbraw/zinc/46/99/40/588469940.db2.gz	PLNOKTOGWOVOFI-UHFFFAOYSA-N	0	1	227.377	0.930	20	30		BCEDMN
C[C@@H](Cn1cncn1)NCc1ccc(C#N)cn1	ZINC000850462063	588548681	/nfs/dbraw/zinc/54/86/81/588548681.db2.gz	MKEOJCYTCAGSFG-JTQLQIEISA-N	0	1	242.286	0.723	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21	ZINC000850763606	588565617	/nfs/dbraw/zinc/56/56/17/588565617.db2.gz	HFVPREPCNSWBHS-SGIHWFKDSA-N	0	1	220.272	0.877	20	30		BCEDMN
C#CCOCCN1CCCN(C(=O)CC)CC1	ZINC000851732955	588619923	/nfs/dbraw/zinc/61/99/23/588619923.db2.gz	FASNVASQDJCIIM-UHFFFAOYSA-N	0	1	238.331	0.581	20	30		BCEDMN
C#CCOCCN1CCN(CCOCC)CC1	ZINC000851755096	588624156	/nfs/dbraw/zinc/62/41/56/588624156.db2.gz	MSESKHWZVJZOEV-UHFFFAOYSA-N	0	1	240.347	0.290	20	30		BCEDMN
C#CCOCCN1CCC[C@H]1C(=O)NC1CC1	ZINC000851769124	588625635	/nfs/dbraw/zinc/62/56/35/588625635.db2.gz	FVUGZWAEHVNRNP-LBPRGKRZSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCOCCN[C@@H](CO)c1ccccc1OC	ZINC000851917559	588643267	/nfs/dbraw/zinc/64/32/67/588643267.db2.gz	HTETUMGQBWUYEJ-ZDUSSCGKSA-N	0	1	249.310	0.968	20	30		BCEDMN
C#CCOCCN1CCO[C@H](C2CC2)C1	ZINC000851951257	588647686	/nfs/dbraw/zinc/64/76/86/588647686.db2.gz	CBWSMIYSNXBIGK-LBPRGKRZSA-N	0	1	209.289	0.747	20	30		BCEDMN
C#C[C@](C)(CC)NCC(=O)Nc1nncs1	ZINC000852099532	588662829	/nfs/dbraw/zinc/66/28/29/588662829.db2.gz	BHUQYPNQTKSXLR-SNVBAGLBSA-N	0	1	238.316	0.868	20	30		BCEDMN
N#CCCCN1CC[C@@](O)(C(F)F)C1	ZINC000852120808	588665021	/nfs/dbraw/zinc/66/50/21/588665021.db2.gz	AXRBVNKWZBFZDS-VIFPVBQESA-N	0	1	204.220	0.992	20	30		BCEDMN
C#CC[C@H]1CCCN([C@H]2CON(CC)C2=O)C1	ZINC000852206497	588671813	/nfs/dbraw/zinc/67/18/13/588671813.db2.gz	KWIDNCLIPCYRDJ-RYUDHWBXSA-N	0	1	236.315	0.884	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852276577	588675367	/nfs/dbraw/zinc/67/53/67/588675367.db2.gz	APNKVDWTSBMJMB-VIFPVBQESA-N	0	1	220.276	0.963	20	30		BCEDMN
C[C@H](C#N)OCC[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000852313717	588678098	/nfs/dbraw/zinc/67/80/98/588678098.db2.gz	LXITUFJQDCFFIJ-NEPJUHHUSA-N	0	1	249.318	0.529	20	30		BCEDMN
C=CC[N@H+](CC[S@@](C)=O)[C@H](C)COC	ZINC000852356571	588679466	/nfs/dbraw/zinc/67/94/66/588679466.db2.gz	INHYZYYDBKIFFN-QMTHXVAHSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CCN(CC[S@@](C)=O)[C@H](C)COC	ZINC000852356571	588679467	/nfs/dbraw/zinc/67/94/67/588679467.db2.gz	INHYZYYDBKIFFN-QMTHXVAHSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CC[N@H+](CC[S@@](C)=O)[C@@H](C)COC	ZINC000852356570	588679653	/nfs/dbraw/zinc/67/96/53/588679653.db2.gz	INHYZYYDBKIFFN-IINYFYTJSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CCN(CC[S@@](C)=O)[C@@H](C)COC	ZINC000852356570	588679654	/nfs/dbraw/zinc/67/96/54/588679654.db2.gz	INHYZYYDBKIFFN-IINYFYTJSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CC[N@H+](CCC(=O)N(C)OC)[C@H](C)COC	ZINC000852356442	588679767	/nfs/dbraw/zinc/67/97/67/588679767.db2.gz	FDKXCSVRCXPLOG-LLVKDONJSA-N	0	1	244.335	0.919	20	30		BCEDMN
CC#CCN1CC[C@H](N2CCOC2=O)C1	ZINC000852432555	588682298	/nfs/dbraw/zinc/68/22/98/588682298.db2.gz	KBPGDJXCOQNEDL-JTQLQIEISA-N	0	1	208.261	0.536	20	30		BCEDMN
C=CCOCC[N@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000852442861	588682496	/nfs/dbraw/zinc/68/24/96/588682496.db2.gz	MQZNBZYXWPYPNS-LLVKDONJSA-N	0	1	240.303	0.716	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852591339	588692395	/nfs/dbraw/zinc/69/23/95/588692395.db2.gz	MIEAAKIBSREFTQ-GRYCIOLGSA-N	0	1	238.331	0.624	20	30		BCEDMN
C#CC[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852654293	588694061	/nfs/dbraw/zinc/69/40/61/588694061.db2.gz	HRNKZJYAVMRHID-JTQLQIEISA-N	0	1	209.293	0.307	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852654293	588694062	/nfs/dbraw/zinc/69/40/62/588694062.db2.gz	HRNKZJYAVMRHID-JTQLQIEISA-N	0	1	209.293	0.307	20	30		BCEDMN
C#CCCN(CCOC)CC[S@@](C)=O	ZINC000852750520	588699944	/nfs/dbraw/zinc/69/99/44/588699944.db2.gz	XMNROTVBYVNKMT-CQSZACIVSA-N	0	1	217.334	0.337	20	30		BCEDMN
CC1(C)CC[C@@H]1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852828525	588706200	/nfs/dbraw/zinc/70/62/00/588706200.db2.gz	YJAUEGXOYVNQHP-AEJSXWLSSA-N	0	1	221.304	0.650	20	30		BCEDMN
Cc1ccoc1CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852827314	588706328	/nfs/dbraw/zinc/70/63/28/588706328.db2.gz	GJRCKQJIKKWAKK-ZJUUUORDSA-N	0	1	233.271	0.358	20	30		BCEDMN
Cc1ccoc1CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852827311	588706371	/nfs/dbraw/zinc/70/63/71/588706371.db2.gz	GJRCKQJIKKWAKK-NXEZZACHSA-N	0	1	233.271	0.358	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(CF)cc1	ZINC000852827266	588706392	/nfs/dbraw/zinc/70/63/92/588706392.db2.gz	FIGNVXDZMJLCOR-VXGBXAGGSA-N	0	1	247.273	0.997	20	30		BCEDMN
Cc1ccncc1CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852828249	588706437	/nfs/dbraw/zinc/70/64/37/588706437.db2.gz	WIBOBFDXGGQSMD-RYUDHWBXSA-N	0	1	244.298	0.160	20	30		BCEDMN
N#CCNC(=O)c1nnc2ccccc2c1O	ZINC000118324934	589167612	/nfs/dbraw/zinc/16/76/12/589167612.db2.gz	JAAKIXYBWHKORW-UHFFFAOYSA-N	0	1	228.211	0.176	20	30		BCEDMN
C=C(Cl)CNC(=O)NC[C@H]1COCCN1	ZINC000861682675	589172817	/nfs/dbraw/zinc/17/28/17/589172817.db2.gz	UJQBNKFMUIPHHJ-QMMMGPOBSA-N	0	1	233.699	0.027	20	30		BCEDMN
C#CC[C@@H]1CCN(Cc2cn(C)nn2)C1	ZINC000862445195	589214654	/nfs/dbraw/zinc/21/46/54/589214654.db2.gz	NYARVEICLWNWDF-SNVBAGLBSA-N	0	1	204.277	0.660	20	30		BCEDMN
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@@H]3C2)CC1	ZINC000862553986	589221329	/nfs/dbraw/zinc/22/13/29/589221329.db2.gz	VHMRDURDNZLBJJ-BETUJISGSA-N	0	1	232.327	0.810	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000862566161	589222886	/nfs/dbraw/zinc/22/28/86/589222886.db2.gz	JAMBRPGHPNYDQQ-NWDGAFQWSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000862567467	589223276	/nfs/dbraw/zinc/22/32/76/589223276.db2.gz	GETRVEQXOOBKOO-JTQLQIEISA-N	0	1	217.272	0.824	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1	ZINC000862576276	589225056	/nfs/dbraw/zinc/22/50/56/589225056.db2.gz	BXFPCNXXRVWBBZ-VIFPVBQESA-N	0	1	233.271	0.611	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccns1	ZINC000863119645	589260296	/nfs/dbraw/zinc/26/02/96/589260296.db2.gz	HCFMJQALZJILIQ-UHFFFAOYSA-N	0	1	209.278	0.416	20	30		BCEDMN
CN(C)c1ccncc1C=NNCC(C)(C)O	ZINC000863138725	589262670	/nfs/dbraw/zinc/26/26/70/589262670.db2.gz	RGLUZWSOLZIPPN-UHFFFAOYSA-N	0	1	236.319	0.842	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000863779503	589316910	/nfs/dbraw/zinc/31/69/10/589316910.db2.gz	OSJIMEFRNGBLDS-IVZWLZJFSA-N	0	1	240.259	0.196	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)CN(C)C	ZINC000863788657	589318206	/nfs/dbraw/zinc/31/82/06/589318206.db2.gz	RNFPSSJUBKLQNQ-JTQLQIEISA-N	0	1	212.293	0.093	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000863807004	589320726	/nfs/dbraw/zinc/32/07/26/589320726.db2.gz	WKLFYWSGCAGNBX-GHMZBOCLSA-N	0	1	249.314	0.743	20	30		BCEDMN
CN1CCCN(C(=O)c2coc(C#N)c2)CC1	ZINC000864441785	589363213	/nfs/dbraw/zinc/36/32/13/589363213.db2.gz	BWOGNXSNQIKCQY-UHFFFAOYSA-N	0	1	233.271	0.929	20	30		BCEDMN
CCCC(N)=NOCCC1OCCO1	ZINC000120229543	589391951	/nfs/dbraw/zinc/39/19/51/589391951.db2.gz	KFHQDPFBFBLKDY-UHFFFAOYSA-N	0	1	202.254	0.838	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864905013	589400505	/nfs/dbraw/zinc/40/05/05/589400505.db2.gz	UKRVBNNLVHFFDP-PSASIEDQSA-N	0	1	236.275	0.451	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)CCc1c[nH]nn1	ZINC000865078847	589407735	/nfs/dbraw/zinc/40/77/35/589407735.db2.gz	VUJQZILORIEIHL-JTQLQIEISA-N	0	1	221.264	0.546	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)CCc1cnn[nH]1	ZINC000865078847	589407736	/nfs/dbraw/zinc/40/77/36/589407736.db2.gz	VUJQZILORIEIHL-JTQLQIEISA-N	0	1	221.264	0.546	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000865974357	589470832	/nfs/dbraw/zinc/47/08/32/589470832.db2.gz	RRRHZEDRMNNCFG-JTQLQIEISA-N	0	1	223.276	0.868	20	30		BCEDMN
N#Cc1cc(C(=O)N2CCc3[nH]nnc3C2)co1	ZINC000866124358	589477693	/nfs/dbraw/zinc/47/76/93/589477693.db2.gz	LTIWILQAAZIHGQ-UHFFFAOYSA-N	0	1	243.226	0.468	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000867755187	589532916	/nfs/dbraw/zinc/53/29/16/589532916.db2.gz	FJWCFSMZILACPZ-JTQLQIEISA-N	0	1	239.275	0.104	20	30		BCEDMN
C[C@H]1CN(C(=O)c2coc(C#N)c2)C[C@H](C)N1	ZINC000867967055	589541643	/nfs/dbraw/zinc/54/16/43/589541643.db2.gz	YRFHCDYERWAHCN-IUCAKERBSA-N	0	1	233.271	0.974	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCCO1	ZINC000122000199	589547136	/nfs/dbraw/zinc/54/71/36/589547136.db2.gz	RTGOPVZEONDHFB-VHSXEESVSA-N	0	1	238.287	0.789	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCCO1	ZINC000122000432	589547363	/nfs/dbraw/zinc/54/73/63/589547363.db2.gz	RTGOPVZEONDHFB-NXEZZACHSA-N	0	1	238.287	0.789	20	30		BCEDMN
C=C(CN(C)C)C(=O)N(CC(C)=O)C(C)C	ZINC000868597404	589566009	/nfs/dbraw/zinc/56/60/09/589566009.db2.gz	IRHUAOIQQWMMQB-UHFFFAOYSA-N	0	1	226.320	0.930	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)CCc1c[nH]nn1	ZINC000868630743	589569598	/nfs/dbraw/zinc/56/95/98/589569598.db2.gz	YJWWUZIJQSTQCU-NSHDSACASA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)CCc1cnn[nH]1	ZINC000868630743	589569599	/nfs/dbraw/zinc/56/95/99/589569599.db2.gz	YJWWUZIJQSTQCU-NSHDSACASA-N	0	1	220.276	0.655	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869073275	589585878	/nfs/dbraw/zinc/58/58/78/589585878.db2.gz	GPYFOHAQNRXFLY-PWSUYJOCSA-N	0	1	247.298	0.705	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869186779	589591911	/nfs/dbraw/zinc/59/19/11/589591911.db2.gz	IUJUDBHEIRWRRS-JTQLQIEISA-N	0	1	232.287	0.609	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869186779	589591913	/nfs/dbraw/zinc/59/19/13/589591913.db2.gz	IUJUDBHEIRWRRS-JTQLQIEISA-N	0	1	232.287	0.609	20	30		BCEDMN
Cc1cc(F)ncc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000870940885	589699743	/nfs/dbraw/zinc/69/97/43/589699743.db2.gz	NOILUOYZWVZBPI-WCBMZHEXSA-N	0	1	248.261	0.371	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccnn1C	ZINC000871926974	589832722	/nfs/dbraw/zinc/83/27/22/589832722.db2.gz	LXAAXBDOROKFIP-ZJUUUORDSA-N	0	1	234.303	0.209	20	30		BCEDMN
C#CCn1[nH]c(C)c(CCC(=O)OCC)c1=O	ZINC000871961579	589846088	/nfs/dbraw/zinc/84/60/88/589846088.db2.gz	LTJHBSJNUWJGQA-JTQLQIEISA-N	0	1	236.271	0.797	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CCO[C@@H]1C	ZINC000872160060	589885835	/nfs/dbraw/zinc/88/58/35/589885835.db2.gz	YHMXPSKBAULELN-ZJUUUORDSA-N	0	1	213.277	0.984	20	30		BCEDMN
CC(C)(O)C[C@@H](O)CNCC1(C#N)CC1	ZINC000872207265	589892703	/nfs/dbraw/zinc/89/27/03/589892703.db2.gz	RAYMNSXETPJHSS-SECBINFHSA-N	0	1	212.293	0.402	20	30		BCEDMN
C#CCOCCN1CCO[C@@H](C(F)F)CC1	ZINC000872273502	589903575	/nfs/dbraw/zinc/90/35/75/589903575.db2.gz	XYVVHHQFGXMUNS-SNVBAGLBSA-N	0	1	233.258	0.992	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)[C@]12CCC[C@H]1OCC2	ZINC000872288010	589906437	/nfs/dbraw/zinc/90/64/37/589906437.db2.gz	RVCSKMPSOILKGM-KQXIARHKSA-N	0	1	249.314	0.173	20	30		BCEDMN
Cc1ccnc(N)c1C=NN[C@@H](C)CO	ZINC000872355063	589916908	/nfs/dbraw/zinc/91/69/08/589916908.db2.gz	DBJHFIVNXGVFPV-QMMMGPOBSA-N	0	1	208.265	0.277	20	30		BCEDMN
Cc1cc(N=NC2CN3CCC2CC3)nc(N)n1	ZINC000872420142	589937517	/nfs/dbraw/zinc/93/75/17/589937517.db2.gz	KWPRXLPXMGXDOQ-UHFFFAOYSA-N	0	1	246.318	0.861	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCCCSC	ZINC000124116291	589943187	/nfs/dbraw/zinc/94/31/87/589943187.db2.gz	NSUSCCXHCBQHSY-MRVPVSSYSA-N	0	1	228.317	0.975	20	30		BCEDMN
CCCN(C(=O)C(C)C#N)[C@@H](C)C(=O)OC	ZINC000888618078	589997127	/nfs/dbraw/zinc/99/71/27/589997127.db2.gz	RMYWURDRNZKYBN-IUCAKERBSA-N	0	1	226.276	0.946	20	30		BCEDMN
C#CCN(CC#C)C[C@]1(OC)CCOC1	ZINC000876744914	590236315	/nfs/dbraw/zinc/23/63/15/590236315.db2.gz	HCCNJBJUULYUJF-GFCCVEGCSA-N	0	1	207.273	0.360	20	30		BCEDMN
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1	ZINC000876789933	590241339	/nfs/dbraw/zinc/24/13/39/590241339.db2.gz	NNAUBWXEIDYGDT-SECBINFHSA-N	0	1	231.727	0.230	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)[C@H](C)O1	ZINC000876802254	590243182	/nfs/dbraw/zinc/24/31/82/590243182.db2.gz	NMZUPDJAXOMVGW-ORMBPQIASA-N	0	1	237.303	0.028	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C12CC(C1)C2	ZINC000876801400	590243391	/nfs/dbraw/zinc/24/33/91/590243391.db2.gz	BVICUPAEZNHEDL-GWMJWBFUSA-N	0	1	205.261	0.014	20	30		BCEDMN
CCO[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C(C)C	ZINC000876801343	590243523	/nfs/dbraw/zinc/24/35/23/590243523.db2.gz	BKQPRGVRIZGHEN-VWYCJHECSA-N	0	1	239.319	0.275	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ocnc1C1CC1	ZINC000876802805	590243712	/nfs/dbraw/zinc/24/37/12/590243712.db2.gz	SEWPHYJRBIHBDK-BDAKNGLRSA-N	0	1	246.270	0.393	20	30		BCEDMN
CC/C=C(/F)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876802535	590243730	/nfs/dbraw/zinc/24/37/30/590243730.db2.gz	QBTPXIGPKRMFGV-HVMXONLBSA-N	0	1	211.240	0.478	20	30		BCEDMN
C#CCNC(=O)[C@@H](N)Cc1cccc(OC)c1	ZINC000876943931	590259284	/nfs/dbraw/zinc/25/92/84/590259284.db2.gz	WMWYPVOYUBLRRD-LBPRGKRZSA-N	0	1	232.283	0.314	20	30		BCEDMN
CC[S@](=O)CCNCc1cccc(C#N)n1	ZINC000877040859	590273421	/nfs/dbraw/zinc/27/34/21/590273421.db2.gz	GBGSPEDHNIAXAV-INIZCTEOSA-N	0	1	237.328	0.811	20	30		BCEDMN
C#C[C@H](C)NCc1ccc(C(=O)OC)n1C	ZINC000877514476	590345006	/nfs/dbraw/zinc/34/50/06/590345006.db2.gz	PBMGAEYMZGFKGO-VIFPVBQESA-N	0	1	220.272	0.923	20	30		BCEDMN
C#C[C@H](C)NCc1cccc(S(N)(=O)=O)c1	ZINC000877514699	590345943	/nfs/dbraw/zinc/34/59/43/590345943.db2.gz	UJFRFBORTFQXCZ-VIFPVBQESA-N	0	1	238.312	0.445	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCN(CC)CC1	ZINC000877932934	590451381	/nfs/dbraw/zinc/45/13/81/590451381.db2.gz	BMZAHZITKWYSOJ-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H](CO)C1	ZINC000878123545	590500271	/nfs/dbraw/zinc/50/02/71/590500271.db2.gz	BGDGQJGDQQBHML-NXEZZACHSA-N	0	1	213.277	0.418	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(C(=O)[C@H](C)O)CC1	ZINC000878331574	590548466	/nfs/dbraw/zinc/54/84/66/590548466.db2.gz	WCYDBZZXEONRBS-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H]1O	ZINC000878335075	590549256	/nfs/dbraw/zinc/54/92/56/590549256.db2.gz	HTSVOUQCMRWIDV-LDYMZIIASA-N	0	1	206.245	0.964	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000878518030	590585632	/nfs/dbraw/zinc/58/56/32/590585632.db2.gz	YYYJXSAXBRHNQD-UHTWSYAYSA-N	0	1	225.332	0.852	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1C[C@H]2[C@H](CO)[C@H]2C1	ZINC000878642248	590599819	/nfs/dbraw/zinc/59/98/19/590599819.db2.gz	YKJWNLZFSYKQJC-ZDCRXTMVSA-N	0	1	225.288	0.274	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)CC(C)(C)O	ZINC000878698125	590611282	/nfs/dbraw/zinc/61/12/82/590611282.db2.gz	BFEXPRFMNYTCAQ-ZJUUUORDSA-N	0	1	214.309	0.790	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1C[C@H](O)C[C@H](C)C1	ZINC000878711803	590613564	/nfs/dbraw/zinc/61/35/64/590613564.db2.gz	SNMYKFCIDKLENW-AXFHLTTASA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H](C(=O)NC)C1	ZINC000878721158	590615797	/nfs/dbraw/zinc/61/57/97/590615797.db2.gz	UHHZGQIWXOGKRL-VHSXEESVSA-N	0	1	240.303	0.172	20	30		BCEDMN
CNC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)C1	ZINC000878721456	590616240	/nfs/dbraw/zinc/61/62/40/590616240.db2.gz	WYERUFJZJRJTSN-SECBINFHSA-N	0	1	233.271	0.719	20	30		BCEDMN
CN(Cc1ccc(C#N)o1)Cc1n[nH]c(=O)o1	ZINC000878726421	590617091	/nfs/dbraw/zinc/61/70/91/590617091.db2.gz	PIOFRYCVXTWQBR-UHFFFAOYSA-N	0	1	234.215	0.872	20	30		BCEDMN
C#CCCN1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C	ZINC000878752089	590618400	/nfs/dbraw/zinc/61/84/00/590618400.db2.gz	GNUMDOAYJQQLOF-GARJFASQSA-N	0	1	208.305	0.949	20	30		BCEDMN
COC(CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)OC	ZINC000878772024	590620593	/nfs/dbraw/zinc/62/05/93/590620593.db2.gz	CNDITXSQAWFOCV-PHIMTYICSA-N	0	1	241.335	0.523	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)C[C@@](C)(O)C1CC1	ZINC000878820603	590628114	/nfs/dbraw/zinc/62/81/14/590628114.db2.gz	NABQHCQWWBOLTO-YUSALJHKSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CC[N@H+](CCn1cnnn1)[C@H](C)COC	ZINC000878890289	590641971	/nfs/dbraw/zinc/64/19/71/590641971.db2.gz	ZNDHYBLWPVXXIQ-SNVBAGLBSA-N	0	1	225.296	0.196	20	30		BCEDMN
C#CCN(CCC(=O)N(C)CC)C1CSC1	ZINC000878912820	590649213	/nfs/dbraw/zinc/64/92/13/590649213.db2.gz	QIIVSYINPKNLEX-UHFFFAOYSA-N	0	1	240.372	0.905	20	30		BCEDMN
C#CCN(CCn1ccnc1)C1CSC1	ZINC000878911813	590649260	/nfs/dbraw/zinc/64/92/60/590649260.db2.gz	SAEMVXLABXAOQU-UHFFFAOYSA-N	0	1	221.329	0.934	20	30		BCEDMN
C#CCCCN1CCO[C@H](Cn2ccnn2)C1	ZINC000878987129	590669364	/nfs/dbraw/zinc/66/93/64/590669364.db2.gz	NCFOTNODYFABCO-LBPRGKRZSA-N	0	1	234.303	0.392	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@@H](CNC(=O)NC)C1	ZINC000879034095	590682036	/nfs/dbraw/zinc/68/20/36/590682036.db2.gz	WHGUZRZDQBHYCP-MNOVXSKESA-N	0	1	241.335	0.581	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(SC)CC1	ZINC000879095549	590696197	/nfs/dbraw/zinc/69/61/97/590696197.db2.gz	COUYLQQSCAKRLY-SNVBAGLBSA-N	0	1	240.372	0.952	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@H]2CSC[C@H]2C1	ZINC000879556684	590800047	/nfs/dbraw/zinc/80/00/47/590800047.db2.gz	GDJMGEQWWQZCED-VHSXEESVSA-N	0	1	239.344	0.311	20	30		BCEDMN
Cc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1C#N	ZINC000879608519	590828293	/nfs/dbraw/zinc/82/82/93/590828293.db2.gz	IGVMJWRRNHFJJN-KGLIPLIRSA-N	0	1	246.310	0.794	20	30		BCEDMN
C#CCN1CCC(c2nnnn2C)CC1	ZINC000879916045	590889654	/nfs/dbraw/zinc/88/96/54/590889654.db2.gz	VTOQVWJDSXMIRL-UHFFFAOYSA-N	0	1	205.265	0.023	20	30		BCEDMN
C=CCNC(=O)CN(C)C1(COC)CCC1	ZINC000880186320	590953835	/nfs/dbraw/zinc/95/38/35/590953835.db2.gz	BALKPWWUBXNKTI-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCO[C@H](C)C(=O)Nc1cccc2[nH]nnc21	ZINC000880196199	590956254	/nfs/dbraw/zinc/95/62/54/590956254.db2.gz	IDEPXLKCGPYZHJ-MRVPVSSYSA-N	0	1	244.254	0.935	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(F)CC1	ZINC000880243405	590976337	/nfs/dbraw/zinc/97/63/37/590976337.db2.gz	HQWFOXBGHMJQAB-SECBINFHSA-N	0	1	212.268	0.558	20	30		BCEDMN
CCC#C[C@@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1	ZINC000880564390	591093553	/nfs/dbraw/zinc/09/35/53/591093553.db2.gz	LNWWQVLSGPQSFC-PWSUYJOCSA-N	0	1	225.288	0.398	20	30		BCEDMN
CCC#C[C@@H](C)N1CC[C@@](O)(C(=O)OC)C1	ZINC000880564390	591093558	/nfs/dbraw/zinc/09/35/58/591093558.db2.gz	LNWWQVLSGPQSFC-PWSUYJOCSA-N	0	1	225.288	0.398	20	30		BCEDMN
C#CC1(F)CN(C(=O)c2cc(C)[nH]n2)C1	ZINC000881945833	591282922	/nfs/dbraw/zinc/28/29/22/591282922.db2.gz	ZERCYSUPOXGIIV-UHFFFAOYSA-N	0	1	207.208	0.515	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1CC	ZINC000882492786	591368665	/nfs/dbraw/zinc/36/86/65/591368665.db2.gz	WHRZIPNNLAEEJC-ZYHUDNBSSA-N	0	1	226.320	0.524	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1ccnc(C#N)c1	ZINC000882491514	591370574	/nfs/dbraw/zinc/37/05/74/591370574.db2.gz	GXLRFOAKNVISSE-GFCCVEGCSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1CC	ZINC000882492783	591372870	/nfs/dbraw/zinc/37/28/70/591372870.db2.gz	WHRZIPNNLAEEJC-CMPLNLGQSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000882891736	591465429	/nfs/dbraw/zinc/46/54/29/591465429.db2.gz	DBXDYWSXCBDUEC-SECBINFHSA-N	0	1	249.314	0.955	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000882893656	591466764	/nfs/dbraw/zinc/46/67/64/591466764.db2.gz	ZBVPLFDFTKCLJK-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000882902960	591468772	/nfs/dbraw/zinc/46/87/72/591468772.db2.gz	SQJUTJJONDAZQA-IWSPIJDZSA-N	0	1	228.248	0.095	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@@H](C)N(C)C	ZINC000882903454	591471902	/nfs/dbraw/zinc/47/19/02/591471902.db2.gz	CRDPWZWRAPZASA-NXEZZACHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccnn1CC1CC1	ZINC000883125513	591544431	/nfs/dbraw/zinc/54/44/31/591544431.db2.gz	LDFMKVUUIHASCW-GFCCVEGCSA-N	0	1	233.315	0.767	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1ccnc(OC)n1	ZINC000883400039	591645782	/nfs/dbraw/zinc/64/57/82/591645782.db2.gz	BYRFIADOGGUSHQ-LLVKDONJSA-N	0	1	237.303	0.902	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NC[C@H]1CCN1CC	ZINC000883581249	591695962	/nfs/dbraw/zinc/69/59/62/591695962.db2.gz	SUQOFLBQNAOWRY-NXEZZACHSA-N	0	1	209.293	0.402	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NC[C@@H]1CCN1CC	ZINC000883581252	591696024	/nfs/dbraw/zinc/69/60/24/591696024.db2.gz	SUQOFLBQNAOWRY-ZJUUUORDSA-N	0	1	209.293	0.402	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)NCC(C)(C)C#N	ZINC000883603195	591700840	/nfs/dbraw/zinc/70/08/40/591700840.db2.gz	NPJCMCDDQZVPIQ-SNVBAGLBSA-N	0	1	238.335	0.930	20	30		BCEDMN
CCc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)no1	ZINC000884249681	591882943	/nfs/dbraw/zinc/88/29/43/591882943.db2.gz	PNSJKNOBGGNRGB-XCBNKYQSSA-N	0	1	234.259	0.078	20	30		BCEDMN
CC(C)[C@@H]1CNCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000884430254	591931215	/nfs/dbraw/zinc/93/12/15/591931215.db2.gz	JVXWPSZSEYYZDW-LBPRGKRZSA-N	0	1	246.314	0.956	20	30		BCEDMN
C#CCSCC(=O)OCc1n[nH]c(CC)n1	ZINC000885898860	592107267	/nfs/dbraw/zinc/10/72/67/592107267.db2.gz	ZMPGRIYRJINMTM-UHFFFAOYSA-N	0	1	239.300	0.777	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CC1(C#N)CCC1	ZINC000886028547	592135995	/nfs/dbraw/zinc/13/59/95/592135995.db2.gz	RYOAPWWAXOGGBP-CYBMUJFWSA-N	0	1	230.311	1.000	20	30		BCEDMN
C#CCCN1CCN(C[C@@](C)(O)C(F)F)CC1	ZINC000886092107	592146325	/nfs/dbraw/zinc/14/63/25/592146325.db2.gz	OGQCMJQEEREXPN-GFCCVEGCSA-N	0	1	246.301	0.643	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2cc[nH]n2)C1	ZINC000886213218	592178236	/nfs/dbraw/zinc/17/82/36/592178236.db2.gz	NZGJVRWQFDYVRF-GFCCVEGCSA-N	0	1	218.304	0.597	20	30		BCEDMN
C#CCC1(NCc2ncnn2CC)CCOCC1	ZINC000886376540	592221667	/nfs/dbraw/zinc/22/16/67/592221667.db2.gz	DNLWNEICBQYROM-UHFFFAOYSA-N	0	1	248.330	0.960	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)[C@@H]1CCC[C@H]1O	ZINC000886481800	592231415	/nfs/dbraw/zinc/23/14/15/592231415.db2.gz	FJHOMLIOUZOCRT-OUAUKWLOSA-N	0	1	227.304	0.949	20	30		BCEDMN
C#CCC1(NC(=O)C2=NC(=O)N(C)C2)CCC1	ZINC000886798334	592330027	/nfs/dbraw/zinc/33/00/27/592330027.db2.gz	YAECIUYNLREVLA-UHFFFAOYSA-N	0	1	233.271	0.802	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCCF	ZINC000887136453	592451409	/nfs/dbraw/zinc/45/14/09/592451409.db2.gz	UNXDCEGGRYTYSS-VIFPVBQESA-N	0	1	200.257	0.416	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCF	ZINC000887137359	592451434	/nfs/dbraw/zinc/45/14/34/592451434.db2.gz	FLFNKSYNYKDGBH-SECBINFHSA-N	0	1	245.298	0.678	20	30		BCEDMN
CN(CCCF)CC(=O)NCCC#N	ZINC000887137333	592452032	/nfs/dbraw/zinc/45/20/32/592452032.db2.gz	DEFZLQALHLAZPL-UHFFFAOYSA-N	0	1	201.245	0.308	20	30		BCEDMN
C[C@]1(C#N)CN(C(=O)c2ccn[nH]2)CCO1	ZINC000887671249	592539326	/nfs/dbraw/zinc/53/93/26/592539326.db2.gz	QIPSUCALQPADDU-JTQLQIEISA-N	0	1	220.232	0.164	20	30		BCEDMN
C[C@]1(C#N)CN(C(=O)CN2CCCC2)CCO1	ZINC000887680235	592541259	/nfs/dbraw/zinc/54/12/59/592541259.db2.gz	ARERZAPCORKJSM-LBPRGKRZSA-N	0	1	237.303	0.223	20	30		BCEDMN
C=C(C)CN(C)C(=O)NCc1n[nH]c(=O)n1C	ZINC000889571261	592620973	/nfs/dbraw/zinc/62/09/73/592620973.db2.gz	ZTVKTDJUCJBISC-UHFFFAOYSA-N	0	1	239.279	0.238	20	30		BCEDMN
C#CCCCC(=O)NCc1n[nH]c(C)n1	ZINC000889702603	592648967	/nfs/dbraw/zinc/64/89/67/592648967.db2.gz	CVNGEGYRNXWKDK-UHFFFAOYSA-N	0	1	206.249	0.533	20	30		BCEDMN
C#CC1(F)CN(C(=O)NC[C@@H]2CCN2CC)C1	ZINC000890055697	592673553	/nfs/dbraw/zinc/67/35/53/592673553.db2.gz	DTYBHIIGBURZRI-JTQLQIEISA-N	0	1	239.294	0.447	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCN1CC	ZINC000890064089	592674479	/nfs/dbraw/zinc/67/44/79/592674479.db2.gz	QFIUDIQAFLYGQD-WDEREUQCSA-N	0	1	223.320	0.744	20	30		BCEDMN
Cc1noc(C)c1CNCCn1cnc(C#N)n1	ZINC000353038096	592713666	/nfs/dbraw/zinc/71/36/66/592713666.db2.gz	LWUKNVOPDRXDCZ-UHFFFAOYSA-N	0	1	246.274	0.544	20	30		BCEDMN
C[N@@H+](CCOc1ccccc1C#N)CC(=O)[O-]	ZINC000739699939	596903484	/nfs/dbraw/zinc/90/34/84/596903484.db2.gz	HMMDNFYZSMMNCR-UHFFFAOYSA-N	0	1	234.255	0.953	20	30		BCEDMN
N#Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)ccn1	ZINC000068757070	597366191	/nfs/dbraw/zinc/36/61/91/597366191.db2.gz	WIVWASUOLBNOTM-JTQLQIEISA-N	0	1	231.255	0.860	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000062133511	597526847	/nfs/dbraw/zinc/52/68/47/597526847.db2.gz	XOVQWYBZIGVJGE-IUCAKERBSA-N	0	1	226.276	0.084	20	30		BCEDMN
N#CCC[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000739073569	600516653	/nfs/dbraw/zinc/51/66/53/600516653.db2.gz	VLACZQUUNLCGDW-JTQLQIEISA-N	0	1	226.276	0.856	20	30		BCEDMN
N#CCC[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000739073569	600516656	/nfs/dbraw/zinc/51/66/56/600516656.db2.gz	VLACZQUUNLCGDW-JTQLQIEISA-N	0	1	226.276	0.856	20	30		BCEDMN
CC[N@@H+](C[C@H](C)C#N)C[C@](C)(O)C(=O)[O-]	ZINC000070714497	600761997	/nfs/dbraw/zinc/76/19/97/600761997.db2.gz	LXROMZPZYGKIFK-SCZZXKLOSA-N	0	1	214.265	0.304	20	30		BCEDMN
CC[N@@H+](C[C@@H](C)C#N)C[C@](C)(O)C(=O)[O-]	ZINC000070714496	600762260	/nfs/dbraw/zinc/76/22/60/600762260.db2.gz	LXROMZPZYGKIFK-WPRPVWTQSA-N	0	1	214.265	0.304	20	30		BCEDMN
CC[N@@H+](C[C@@H](C)C#N)C[C@@](C)(O)C(=O)[O-]	ZINC000227068947	600762266	/nfs/dbraw/zinc/76/22/66/600762266.db2.gz	LXROMZPZYGKIFK-WCBMZHEXSA-N	0	1	214.265	0.304	20	30		BCEDMN
C=CC[N@@H+](C)CCN1CCN(C(=O)[O-])CC1	ZINC000738490073	602874522	/nfs/dbraw/zinc/87/45/22/602874522.db2.gz	LXHIDOSRYHFTSX-UHFFFAOYSA-N	0	1	227.308	0.400	20	30		BCEDMN
CN(CC#N)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC001027311460	634470953	/nfs/dbraw/zinc/47/09/53/634470953.db2.gz	QPIFZEHVPOXVHQ-SNVBAGLBSA-N	0	1	247.302	0.470	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1	ZINC001027781228	635149039	/nfs/dbraw/zinc/14/90/39/635149039.db2.gz	GNNDJQNIGOLDRF-VXGBXAGGSA-N	0	1	236.315	0.237	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)[C@@H]2CCOC2)C1	ZINC001010362758	635426455	/nfs/dbraw/zinc/42/64/55/635426455.db2.gz	WRHGHCSGYAKIRH-NEPJUHHUSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@H](F)CC)C1	ZINC000972091823	631765187	/nfs/dbraw/zinc/76/51/87/631765187.db2.gz	ZPGZNGHUFXYUFK-GHMZBOCLSA-N	0	1	226.295	0.900	20	30		BCEDMN
Nc1ccc(C=NN2CCOCC2)cn1	ZINC000308985787	631781377	/nfs/dbraw/zinc/78/13/77/631781377.db2.gz	JQMFLYHAVKFXMI-UHFFFAOYSA-N	0	1	206.249	0.330	20	30		BCEDMN
C#C[C@H](N[C@@H](CC)C(N)=O)[C@H]1CCCO1	ZINC000309067858	631831412	/nfs/dbraw/zinc/83/14/12/631831412.db2.gz	AJWKBGQLCJACFN-LPEHRKFASA-N	0	1	210.277	0.021	20	30		BCEDMN
C=CC[C@H]1CCN1CCNS(C)(=O)=O	ZINC000934468279	631861128	/nfs/dbraw/zinc/86/11/28/631861128.db2.gz	AZTFCIFLPQDBQJ-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CC=C	ZINC000934472412	631866066	/nfs/dbraw/zinc/86/60/66/631866066.db2.gz	OADRTSUWRFGIJW-MNOVXSKESA-N	0	1	206.289	0.775	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@H]1CC=C	ZINC000934472411	631866586	/nfs/dbraw/zinc/86/65/86/631866586.db2.gz	OADRTSUWRFGIJW-GHMZBOCLSA-N	0	1	206.289	0.775	20	30		BCEDMN
C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC(=O)NC	ZINC000934473488	631866667	/nfs/dbraw/zinc/86/66/67/631866667.db2.gz	WMDKOBNABNUFPZ-DTWKUNHWSA-N	0	1	225.292	0.481	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C2(CF)CC2)C1	ZINC000972296383	631919930	/nfs/dbraw/zinc/91/99/30/631919930.db2.gz	MLZJOLAQWUMNCL-NSHDSACASA-N	0	1	238.306	0.902	20	30		BCEDMN
CC[C@H](N[NH+]=C(C)c1csc(N)n1)C(=O)[O-]	ZINC000309306566	631996342	/nfs/dbraw/zinc/99/63/42/631996342.db2.gz	VUZGQGROZUZAIG-LURJTMIESA-N	0	1	242.304	0.902	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1	ZINC000972423923	632030240	/nfs/dbraw/zinc/03/02/40/632030240.db2.gz	KYBDGVQELNOEDB-NEPJUHHUSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCONC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	ZINC000308876772	632059131	/nfs/dbraw/zinc/05/91/31/632059131.db2.gz	BSPAMAWUXRRIKB-IMSYWVGJSA-N	0	1	211.261	0.727	20	30		BCEDMN
C=C(C)CN(CC)CC(=O)N(C)OC	ZINC000091536481	632060688	/nfs/dbraw/zinc/06/06/88/632060688.db2.gz	OEOYDOQPGSDICW-UHFFFAOYSA-N	0	1	200.282	0.904	20	30		BCEDMN
C#CCCCN1CCC[C@@H](S(C)(=O)=O)C1	ZINC000308877666	632061579	/nfs/dbraw/zinc/06/15/79/632061579.db2.gz	BZPWIGCSUHVXPD-LLVKDONJSA-N	0	1	229.345	0.909	20	30		BCEDMN
C#CC[N@@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1	ZINC001028532246	635722896	/nfs/dbraw/zinc/72/28/96/635722896.db2.gz	QKHFNWHSFCLTCM-SNVBAGLBSA-N	0	1	232.287	0.095	20	30		BCEDMN
N#CCC[C@H](C#N)CN[C@@H](CO)C1CC1	ZINC000308916955	632430170	/nfs/dbraw/zinc/43/01/70/632430170.db2.gz	HTQBTAGETHLPCB-KOLCDFICSA-N	0	1	207.277	0.790	20	30		BCEDMN
N#CCC[C@@H](C#N)CN[C@@H](CO)C1CC1	ZINC000308916963	632430710	/nfs/dbraw/zinc/43/07/10/632430710.db2.gz	HTQBTAGETHLPCB-ONGXEEELSA-N	0	1	207.277	0.790	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc([C@@H](C)O)s1	ZINC000309136234	632645551	/nfs/dbraw/zinc/64/55/51/632645551.db2.gz	SBTCEKUWKGXHEQ-HTQZYQBOSA-N	0	1	228.317	0.833	20	30		BCEDMN
NC(=[NH2+])NN=Cc1ccc([O-])c(Cl)c1	ZINC000003129075	632648256	/nfs/dbraw/zinc/64/82/56/632648256.db2.gz	OPAVRBOWYWNTSN-UHFFFAOYSA-N	0	1	212.640	0.863	20	30		BCEDMN
Cc1onc(CC(=O)NC[C@@H]2CCN2C)c1C#N	ZINC000928553265	636088422	/nfs/dbraw/zinc/08/84/22/636088422.db2.gz	CKKAOZULNPRTSD-VIFPVBQESA-N	0	1	248.286	0.218	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)CC(C)(C)C#N	ZINC000928557429	636097900	/nfs/dbraw/zinc/09/79/00/636097900.db2.gz	SFUGIYRJEKHXHY-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000909515545	636135919	/nfs/dbraw/zinc/13/59/19/636135919.db2.gz	XSUGVRVPVWHJOG-SNVBAGLBSA-N	0	1	240.303	0.427	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H](C)C1	ZINC001025823750	633780244	/nfs/dbraw/zinc/78/02/44/633780244.db2.gz	CITXUUKCZRYRSO-OBPIAQAESA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C	ZINC001026128813	633853335	/nfs/dbraw/zinc/85/33/35/633853335.db2.gz	XFHOMNVSGJYRPI-POQQGIQPSA-N	0	1	246.354	0.958	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C1CC1	ZINC000309500407	633937062	/nfs/dbraw/zinc/93/70/62/633937062.db2.gz	LKSDYDPGVIVLKV-FXBDTBDDSA-N	0	1	207.277	0.260	20	30		BCEDMN
Nc1ccc(CN=Nc2cnccn2)cn1	ZINC000309561453	633954995	/nfs/dbraw/zinc/95/49/95/633954995.db2.gz	OWWULNFZFYCADN-UHFFFAOYSA-N	0	1	214.232	0.900	20	30		BCEDMN
CN(C[C@H](O)CC#N)[C@H](CO)Cc1ccccc1	ZINC000930921397	634179405	/nfs/dbraw/zinc/17/94/05/634179405.db2.gz	HVXPZBBKGSKNRI-UONOGXRCSA-N	0	1	248.326	0.796	20	30		BCEDMN
C#CCNCC(=O)NCc1cccc(COC)c1	ZINC000092493029	634184800	/nfs/dbraw/zinc/18/48/00/634184800.db2.gz	MHQAQSCGIYAKRZ-UHFFFAOYSA-N	0	1	246.310	0.672	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)C1CC1	ZINC001027707263	635118833	/nfs/dbraw/zinc/11/88/33/635118833.db2.gz	CVIDYRBMMOOFSY-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cccn1C	ZINC001027760176	635138546	/nfs/dbraw/zinc/13/85/46/635138546.db2.gz	SJHSQCDCPVBUNE-LBPRGKRZSA-N	0	1	245.326	0.853	20	30		BCEDMN
N#CCCNC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000336488176	635162209	/nfs/dbraw/zinc/16/22/09/635162209.db2.gz	QBCQHBZRRYEJKQ-VIFPVBQESA-N	0	1	233.275	1.000	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@H]2CCCO2)C1	ZINC001010064708	635181023	/nfs/dbraw/zinc/18/10/23/635181023.db2.gz	ZSZMYCBDNXXFCW-GHMZBOCLSA-N	0	1	224.304	0.542	20	30		BCEDMN
CC#CCN1CCC[C@@H]1CNC(=O)c1ncc[nH]1	ZINC001027873766	635185088	/nfs/dbraw/zinc/18/50/88/635185088.db2.gz	FLUNIXBOFKSCBN-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F	ZINC001027875770	635186252	/nfs/dbraw/zinc/18/62/52/635186252.db2.gz	XRNIZOXBQWQKBH-VHSXEESVSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027896319	635199350	/nfs/dbraw/zinc/19/93/50/635199350.db2.gz	MWRZYLXPVZUIDM-SCRDCRAPSA-N	0	1	248.326	0.237	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001027896319	635199359	/nfs/dbraw/zinc/19/93/59/635199359.db2.gz	MWRZYLXPVZUIDM-SCRDCRAPSA-N	0	1	248.326	0.237	20	30		BCEDMN
C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC000980539571	635235789	/nfs/dbraw/zinc/23/57/89/635235789.db2.gz	RWZJQUISGSYYSJ-GFCCVEGCSA-N	0	1	248.330	0.602	20	30		BCEDMN
C=CC[N@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1	ZINC000980539572	635236202	/nfs/dbraw/zinc/23/62/02/635236202.db2.gz	RWZJQUISGSYYSJ-LBPRGKRZSA-N	0	1	248.330	0.602	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)COC)C2)C1	ZINC000981559535	635368791	/nfs/dbraw/zinc/36/87/91/635368791.db2.gz	KDOZHDGSWWNJMJ-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
C#CCN1CCCC2(CN(C(C)=O)C2)C1	ZINC000981557611	635368894	/nfs/dbraw/zinc/36/88/94/635368894.db2.gz	KZNJAYSUOZUZTK-UHFFFAOYSA-N	0	1	206.289	0.564	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)C3CC3)C2)C1	ZINC000981568345	635371156	/nfs/dbraw/zinc/37/11/56/635371156.db2.gz	BADLIYSNZKIREX-UHFFFAOYSA-N	0	1	232.327	0.954	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc(C)n(C)n2)C1	ZINC001010342549	635380934	/nfs/dbraw/zinc/38/09/34/635380934.db2.gz	WHLLCUBMOAXAIG-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2cnco2)CC1	ZINC000981713142	635388585	/nfs/dbraw/zinc/38/85/85/635388585.db2.gz	CVOSJMBUFQHNFM-UHFFFAOYSA-N	0	1	247.298	0.846	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cncnc2)CC1	ZINC000928654349	636272328	/nfs/dbraw/zinc/27/23/28/636272328.db2.gz	XWYQDUGOGPPXFW-UHFFFAOYSA-N	0	1	244.298	0.304	20	30		BCEDMN
N#CC[C@@H](NC(=O)c1ncn[nH]1)C(F)(F)F	ZINC000928812157	636379061	/nfs/dbraw/zinc/37/90/61/636379061.db2.gz	NLDMXDYGYQPUPL-SCSAIBSYSA-N	0	1	233.153	0.379	20	30		BCEDMN
N#CC[C@@H](NC(=O)c1nc[nH]n1)C(F)(F)F	ZINC000928812157	636379066	/nfs/dbraw/zinc/37/90/66/636379066.db2.gz	NLDMXDYGYQPUPL-SCSAIBSYSA-N	0	1	233.153	0.379	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CCN(C(=O)COC)[C@H]1C	ZINC000985833458	636424958	/nfs/dbraw/zinc/42/49/58/636424958.db2.gz	RFZJNAAFWXGOGB-VHSXEESVSA-N	0	1	246.738	0.964	20	30		BCEDMN
C#CCNCC(=O)N1CCC[C@@H](OCC)C1	ZINC000086157132	636634434	/nfs/dbraw/zinc/63/44/34/636634434.db2.gz	LBKRJIIOBCRWFE-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#Cc1cccc(CN[C@@H]2CC23CC(O)C3)n1	ZINC000897843969	636838606	/nfs/dbraw/zinc/83/86/06/636838606.db2.gz	KLLIVIGYOJVJFJ-OTTFEQOBSA-N	0	1	229.283	0.956	20	30		BCEDMN
C=C(C)CCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897898536	636845892	/nfs/dbraw/zinc/84/58/92/636845892.db2.gz	LPNABZVGVHUWPB-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCNC(=O)CN1CC(C)(C)[C@H]2COC[C@H]21	ZINC000322343915	636859367	/nfs/dbraw/zinc/85/93/67/636859367.db2.gz	CYSNEBABBITOMC-WDEREUQCSA-N	0	1	236.315	0.093	20	30		BCEDMN
C#CCNCC(=O)N1C[C@@H](C)OC[C@H]1CC	ZINC000082344006	636868812	/nfs/dbraw/zinc/86/88/12/636868812.db2.gz	AOZQPBZBGRKREH-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
N#CCNC1CCN(C(=O)Cc2ccn[nH]2)CC1	ZINC000990503603	636957151	/nfs/dbraw/zinc/95/71/51/636957151.db2.gz	FUONXXIMJRCADJ-UHFFFAOYSA-N	0	1	247.302	0.056	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)c1[nH]ncc1F	ZINC000900464955	637187905	/nfs/dbraw/zinc/18/79/05/637187905.db2.gz	VTCXZUWIAUCLAJ-SECBINFHSA-N	0	1	210.212	0.971	20	30		BCEDMN
C#CCN(CC#C)C(=O)Cc1c[nH]cn1	ZINC000900906488	637197892	/nfs/dbraw/zinc/19/78/92/637197892.db2.gz	LPLQJTOREQPPKP-UHFFFAOYSA-N	0	1	201.229	0.047	20	30		BCEDMN
C[C@@H](C#N)CNC[C@H](O)CCC1(O)CCC1	ZINC000905104395	637610415	/nfs/dbraw/zinc/61/04/15/637610415.db2.gz	FSXFCMFHGHIOLA-WDEREUQCSA-N	0	1	226.320	0.792	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1ccncc1	ZINC000905154264	637637197	/nfs/dbraw/zinc/63/71/97/637637197.db2.gz	ZVEUHFFJJSIUSY-UHFFFAOYSA-N	0	1	232.287	0.190	20	30		BCEDMN
CN(C)CC#CCNC(=O)C(=O)OC(C)(C)C	ZINC000905151225	637662417	/nfs/dbraw/zinc/66/24/17/637662417.db2.gz	IZWMMIPIAGLBQO-UHFFFAOYSA-N	0	1	240.303	0.009	20	30		BCEDMN
CC(C)(C#N)CNC[C@H](O)C1(O)CCCC1	ZINC000905201742	637694046	/nfs/dbraw/zinc/69/40/46/637694046.db2.gz	FKGZHGLALPTTNT-JTQLQIEISA-N	0	1	226.320	0.792	20	30		BCEDMN
C=CCn1c(=O)[nH]nc1S(=O)(=O)CC=C	ZINC000905251312	637710655	/nfs/dbraw/zinc/71/06/55/637710655.db2.gz	KENFEWGTZOSUJF-UHFFFAOYSA-N	0	1	229.261	0.129	20	30		BCEDMN
Cc1cccc([C@H](O)CNCC#CCO)c1	ZINC000905358973	637777092	/nfs/dbraw/zinc/77/70/92/637777092.db2.gz	RNHNKFWDHFLCPO-CYBMUJFWSA-N	0	1	219.284	0.614	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)C(C)(C)C1	ZINC000905522473	637843786	/nfs/dbraw/zinc/84/37/86/637843786.db2.gz	ICEAJLWVXGTJBY-UHFFFAOYSA-N	0	1	225.361	0.520	20	30		BCEDMN
C#CCNC(=S)NC1CCN(CC#C)CC1	ZINC000905656875	637872245	/nfs/dbraw/zinc/87/22/45/637872245.db2.gz	BXLPTIFNHHGKQK-UHFFFAOYSA-N	0	1	235.356	0.181	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc(CNC(C)C)nn1	ZINC000905803865	637933397	/nfs/dbraw/zinc/93/33/97/637933397.db2.gz	VHNVJEGNCHEHOG-LLVKDONJSA-N	0	1	224.308	0.886	20	30		BCEDMN
CCNCc1cn(Cc2cncc(C#N)c2)nn1	ZINC000905838831	637940501	/nfs/dbraw/zinc/94/05/01/637940501.db2.gz	UTSPYYDFSZWCTH-UHFFFAOYSA-N	0	1	242.286	0.703	20	30		BCEDMN
N#CCC1CN(C[C@H](O)C2(O)CCCC2)C1	ZINC000905963777	637983768	/nfs/dbraw/zinc/98/37/68/637983768.db2.gz	VWMYUDDPGROKAD-NSHDSACASA-N	0	1	224.304	0.498	20	30		BCEDMN
C=CCOCCNC(=O)Cc1cnc[nH]1	ZINC000907270315	638332802	/nfs/dbraw/zinc/33/28/02/638332802.db2.gz	ODNATKXDYNOFGY-UHFFFAOYSA-N	0	1	209.249	0.271	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907387320	638370083	/nfs/dbraw/zinc/37/00/83/638370083.db2.gz	HYUUZYMXACDUCY-FOGDFJRCSA-N	0	1	239.319	0.250	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)c1[nH]ncc1F	ZINC000907406512	638374883	/nfs/dbraw/zinc/37/48/83/638374883.db2.gz	MZQPEYPWUFFKQF-ZETCQYMHSA-N	0	1	210.212	0.827	20	30		BCEDMN
C=CCCN(C)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000907638357	638429982	/nfs/dbraw/zinc/42/99/82/638429982.db2.gz	AURUXMSOIJPBMX-PWSUYJOCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cnc[nH]1)C(C)C	ZINC000907966036	638529452	/nfs/dbraw/zinc/52/94/52/638529452.db2.gz	KLFLEYWNDYEQNT-JTQLQIEISA-N	0	1	205.261	0.726	20	30		BCEDMN
C=CC(C)(C)CNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000908939751	639096416	/nfs/dbraw/zinc/09/64/16/639096416.db2.gz	NIIJUTTWRYTBOM-GXFFZTMASA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CC(C)(C)CNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000908939754	639097196	/nfs/dbraw/zinc/09/71/96/639097196.db2.gz	NIIJUTTWRYTBOM-ZWNOBZJWSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1cnc[nH]1	ZINC000909047444	639130579	/nfs/dbraw/zinc/13/05/79/639130579.db2.gz	GRLKFILVFBYGKQ-MNOVXSKESA-N	0	1	235.287	0.802	20	30		BCEDMN
CCOC(=O)c1c[nH]c(NC(=O)C#CC2CC2)n1	ZINC000909989385	639300122	/nfs/dbraw/zinc/30/01/22/639300122.db2.gz	NWQXUNKWOPEJRS-UHFFFAOYSA-N	0	1	247.254	0.938	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	ZINC000910285496	639405504	/nfs/dbraw/zinc/40/55/04/639405504.db2.gz	ARKHDEGKLMVINH-SNVBAGLBSA-N	0	1	242.319	0.862	20	30		BCEDMN
Cc1ncc(NC(=O)NCC#CCN(C)C)cn1	ZINC000930204945	639637338	/nfs/dbraw/zinc/63/73/38/639637338.db2.gz	GPCZWLZLGZTDTD-UHFFFAOYSA-N	0	1	247.302	0.472	20	30		BCEDMN
CC[C@H]1C[N@@H+](C[C@H](O)CC#N)CCCO1	ZINC000930317686	639700990	/nfs/dbraw/zinc/70/09/90/639700990.db2.gz	SRSQNEZWPMBECP-MNOVXSKESA-N	0	1	212.293	0.762	20	30		BCEDMN
C#CCN(Cc1ccccc1)C[C@H](O)[C@H](C)O	ZINC000930476679	639772285	/nfs/dbraw/zinc/77/22/85/639772285.db2.gz	RYNKPPOGERAIGY-JSGCOSHPSA-N	0	1	233.311	0.864	20	30		BCEDMN
Cc1cnn([C@H]2CCN(C[C@H](O)CC#N)C2)c1	ZINC000930526605	639802206	/nfs/dbraw/zinc/80/22/06/639802206.db2.gz	QUVOVSRKLMRTKO-NWDGAFQWSA-N	0	1	234.303	0.713	20	30		BCEDMN
CC#CCN(C)C[C@H](O)C1(O)CCCC1	ZINC000930587342	639814664	/nfs/dbraw/zinc/81/46/64/639814664.db2.gz	APAVHWFKLILMED-NSHDSACASA-N	0	1	211.305	0.608	20	30		BCEDMN
CCn1cc([C@H](C)NC[C@H](O)CC#N)cn1	ZINC000930658251	639850265	/nfs/dbraw/zinc/85/02/65/639850265.db2.gz	XVRWODZFAMCYNC-GXSJLCMTSA-N	0	1	222.292	0.828	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)C1(O)CCOCC1	ZINC000930692199	639862050	/nfs/dbraw/zinc/86/20/50/639862050.db2.gz	FGGWCICAFRXFCI-GHMZBOCLSA-N	0	1	242.319	0.171	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C	ZINC000911902688	639884640	/nfs/dbraw/zinc/88/46/40/639884640.db2.gz	CRNPGZLCXOFHSW-ATZCPNFKSA-N	0	1	228.292	0.064	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)Cc1cncc(C#N)c1	ZINC000930760502	639899559	/nfs/dbraw/zinc/89/95/59/639899559.db2.gz	WQZDJHQUWHSVFW-UHFFFAOYSA-N	0	1	245.242	0.674	20	30		BCEDMN
C#CC1CCN(C[C@H]2CCCS2(=O)=O)CC1	ZINC000930822772	639924255	/nfs/dbraw/zinc/92/42/55/639924255.db2.gz	UILJHCJKYOTUMP-GFCCVEGCSA-N	0	1	241.356	0.909	20	30		BCEDMN
C=CCC[C@H](O)CN1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C	ZINC000930833387	639933422	/nfs/dbraw/zinc/93/34/22/639933422.db2.gz	FTVSBLZUWCAHMF-YFKTTZPYSA-N	0	1	240.347	0.911	20	30		BCEDMN
C=CCN(Cc1cccs1)C(=O)[C@H](N)CO	ZINC000912081046	639949458	/nfs/dbraw/zinc/94/94/58/639949458.db2.gz	DOMLZZXTRDQUNA-SNVBAGLBSA-N	0	1	240.328	0.582	20	30		BCEDMN
C[C@@H](CC#N)NC[C@H]1CCC2(COC2)O1	ZINC000930869400	639963144	/nfs/dbraw/zinc/96/31/44/639963144.db2.gz	ZGKLDPIDKYQODN-VHSXEESVSA-N	0	1	210.277	0.826	20	30		BCEDMN
N#CCSCC(=O)N1CC(N2CCCC2)C1	ZINC000912326372	640030928	/nfs/dbraw/zinc/03/09/28/640030928.db2.gz	JNIUEZQBBOZEBD-UHFFFAOYSA-N	0	1	239.344	0.550	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCO[C@H]1C(=C)C	ZINC000912449837	640078589	/nfs/dbraw/zinc/07/85/89/640078589.db2.gz	CXNRXYBMVWYKSY-UWVGGRQHSA-N	0	1	209.245	0.649	20	30		BCEDMN
C#CC1(O)CCN(Cc2[nH]c(C)nc2C)CC1	ZINC000931154660	640080616	/nfs/dbraw/zinc/08/06/16/640080616.db2.gz	ZEIUXYRRLHNKIV-UHFFFAOYSA-N	0	1	233.315	0.987	20	30		BCEDMN
C=CCN(Cc1ccccc1)C(=O)[C@H](N)CO	ZINC000912488090	640083902	/nfs/dbraw/zinc/08/39/02/640083902.db2.gz	NSGSFSVSYVKTDJ-GFCCVEGCSA-N	0	1	234.299	0.521	20	30		BCEDMN
C=CCOCCCNC(=O)Cc1cnc[nH]1	ZINC000912504343	640099864	/nfs/dbraw/zinc/09/98/64/640099864.db2.gz	VQJHCBULEQFTRA-UHFFFAOYSA-N	0	1	223.276	0.661	20	30		BCEDMN
CN(C(=O)C#CC(C)(C)C)c1nn[nH]n1	ZINC000912616866	640127289	/nfs/dbraw/zinc/12/72/89/640127289.db2.gz	OOYHWGRIMPVKSD-UHFFFAOYSA-N	0	1	207.237	0.212	20	30		BCEDMN
N#CCCN1CCc2nccc(N)c2C1	ZINC000931512308	640244079	/nfs/dbraw/zinc/24/40/79/640244079.db2.gz	MTKOQPPVWVNXRA-UHFFFAOYSA-N	0	1	202.261	0.936	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCc2nccc(N)c2C1	ZINC000931516789	640247464	/nfs/dbraw/zinc/24/74/64/640247464.db2.gz	BCADUCCYXXXEQD-GFCCVEGCSA-N	0	1	247.298	0.750	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000912905038	640249189	/nfs/dbraw/zinc/24/91/89/640249189.db2.gz	XWPHMGGFIVOEKD-JQWIXIFHSA-N	0	1	224.304	0.230	20	30		BCEDMN
C=CCN1CCC(N2C(=O)N[C@H](C)C2=O)CC1	ZINC000348915897	640282521	/nfs/dbraw/zinc/28/25/21/640282521.db2.gz	URIIEOUMSZPAJW-SECBINFHSA-N	0	1	237.303	0.577	20	30		BCEDMN
C=CCCN1CCN(c2n[nH]c(C)n2)CC1	ZINC000931625808	640297795	/nfs/dbraw/zinc/29/77/95/640297795.db2.gz	IQMWGGKPOYHCCD-UHFFFAOYSA-N	0	1	221.308	0.811	20	30		BCEDMN
CC#CCN1CCC(OC)(OC)[C@@H](O)C1	ZINC000931636971	640299200	/nfs/dbraw/zinc/29/92/00/640299200.db2.gz	YSQNQETZEVWQTD-JTQLQIEISA-N	0	1	213.277	0.065	20	30		BCEDMN
C=C(C)[C@H](CO)N[C@H]1COCCC1(OC)OC	ZINC000931673688	640306801	/nfs/dbraw/zinc/30/68/01/640306801.db2.gz	UDSUHSMZDPEMIG-QWRGUYRKSA-N	0	1	245.319	0.291	20	30		BCEDMN
C=CCC1(O)CCN(C[C@H](O)CC#N)CC1	ZINC000931751164	640349412	/nfs/dbraw/zinc/34/94/12/640349412.db2.gz	TWRJGADQGAFTOL-LLVKDONJSA-N	0	1	224.304	0.664	20	30		BCEDMN
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C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1	ZINC000961843850	642707522	/nfs/dbraw/zinc/70/75/22/642707522.db2.gz	CHXSIQAPGXDXDK-LBELIVKGSA-N	0	1	248.326	0.234	20	30		BCEDMN
CN(CC#N)C(=O)c1cc(Br)[nH]n1	ZINC000306511619	642746937	/nfs/dbraw/zinc/74/69/37/642746937.db2.gz	NORWHJQBQDZYJQ-UHFFFAOYSA-N	0	1	243.064	0.768	20	30		BCEDMN
CC#CCN1CC[C@@H](C)[C@H](NC(C)=O)C1	ZINC000964574900	642754221	/nfs/dbraw/zinc/75/42/21/642754221.db2.gz	LTHOQVXXERMFHG-ZYHUDNBSSA-N	0	1	208.305	0.856	20	30		BCEDMN
CC#CCN1CC[C@H](C)[C@@H](NC(C)=O)C1	ZINC000964574897	642755325	/nfs/dbraw/zinc/75/53/25/642755325.db2.gz	LTHOQVXXERMFHG-JQWIXIFHSA-N	0	1	208.305	0.856	20	30		BCEDMN
COC[C@H](O)CN(CCC#N)CC(C)C	ZINC000068891222	642807312	/nfs/dbraw/zinc/80/73/12/642807312.db2.gz	VOUWVDFQEXNINQ-LLVKDONJSA-N	0	1	214.309	0.865	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccsn2)C1	ZINC001031761080	642817311	/nfs/dbraw/zinc/81/73/11/642817311.db2.gz	XGSNPXLTINBACG-UHFFFAOYSA-N	0	1	237.328	0.991	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cocn2)C1	ZINC001006937010	642825527	/nfs/dbraw/zinc/82/55/27/642825527.db2.gz	DPYYSKAXEVTOEK-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2cocn2)C1	ZINC001006937010	642825531	/nfs/dbraw/zinc/82/55/31/642825531.db2.gz	DPYYSKAXEVTOEK-LLVKDONJSA-N	0	1	247.298	0.892	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2cn[nH]c2)C1	ZINC001006801981	642826042	/nfs/dbraw/zinc/82/60/42/642826042.db2.gz	ZECCCUABPVFZJT-LLVKDONJSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)CC2CC2)C1	ZINC001009883450	642843140	/nfs/dbraw/zinc/84/31/40/642843140.db2.gz	MLJXMSWXIDQZAW-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)C(C)(C)F)C1	ZINC001009864562	642843560	/nfs/dbraw/zinc/84/35/60/642843560.db2.gz	MRGPLYIWCBICNU-JTQLQIEISA-N	0	1	226.295	0.948	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnccn2)C1	ZINC001009950425	642847695	/nfs/dbraw/zinc/84/76/95/642847695.db2.gz	CNPDSGSUDVIVGT-JTQLQIEISA-N	0	1	232.287	0.467	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001010303084	642858266	/nfs/dbraw/zinc/85/82/66/642858266.db2.gz	OIWUEWMNGISOQT-NSHDSACASA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1	ZINC001010318697	642858307	/nfs/dbraw/zinc/85/83/07/642858307.db2.gz	HTQFYMWLAMJDRX-JTQLQIEISA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1	ZINC001010408537	642862656	/nfs/dbraw/zinc/86/26/56/642862656.db2.gz	PILNLPVLLAZYTA-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1	ZINC001010521982	642868129	/nfs/dbraw/zinc/86/81/29/642868129.db2.gz	ZRUGIYCWRDRNAU-LLVKDONJSA-N	0	1	246.314	0.084	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001010521982	642868131	/nfs/dbraw/zinc/86/81/31/642868131.db2.gz	ZRUGIYCWRDRNAU-LLVKDONJSA-N	0	1	246.314	0.084	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2)C1	ZINC001010550959	642868339	/nfs/dbraw/zinc/86/83/39/642868339.db2.gz	IFLALMPKVLAWHL-CYBMUJFWSA-N	0	1	245.326	0.853	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1	ZINC001010630989	642870692	/nfs/dbraw/zinc/87/06/92/642870692.db2.gz	PUYRUVBGOPVAIU-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccnn2CC)C1	ZINC001010750266	642872654	/nfs/dbraw/zinc/87/26/54/642872654.db2.gz	WYBHCSPSTDMIJB-NSHDSACASA-N	0	1	248.330	0.893	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C2=CCOCC2)C1	ZINC001010727773	642872728	/nfs/dbraw/zinc/87/27/28/642872728.db2.gz	RAVAIUQAUCKTGB-LBPRGKRZSA-N	0	1	236.315	0.710	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2cncnc2)C1	ZINC001010711786	642873371	/nfs/dbraw/zinc/87/33/71/642873371.db2.gz	LWDAXRDGWJKXPC-LBPRGKRZSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ncc[nH]2)C1	ZINC001014373234	642889454	/nfs/dbraw/zinc/88/94/54/642889454.db2.gz	OBRHYYYVNUUQDA-VIFPVBQESA-N	0	1	220.276	0.400	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2cnc(C)o2)C1	ZINC001014704346	642893419	/nfs/dbraw/zinc/89/34/19/642893419.db2.gz	GKDCMPCEKNBHSB-LLVKDONJSA-N	0	1	249.314	0.902	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015820246	642929858	/nfs/dbraw/zinc/92/98/58/642929858.db2.gz	BCASPPUPPMJQHB-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015820246	642929862	/nfs/dbraw/zinc/92/98/62/642929862.db2.gz	BCASPPUPPMJQHB-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ccnnc2)C1	ZINC001015749394	642932311	/nfs/dbraw/zinc/93/23/11/642932311.db2.gz	DOPOIJGSAUFIFI-LBPRGKRZSA-N	0	1	244.298	0.304	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001015905502	642940341	/nfs/dbraw/zinc/94/03/41/642940341.db2.gz	PCYYBDVYEQJLBC-NSHDSACASA-N	0	1	246.314	0.166	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2cccnn2)C1	ZINC001015887601	642940435	/nfs/dbraw/zinc/94/04/35/642940435.db2.gz	YKHWTZUMHIWSMA-NSHDSACASA-N	0	1	244.298	0.304	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ncccn2)C1	ZINC001015887831	642940605	/nfs/dbraw/zinc/94/06/05/642940605.db2.gz	PKDWJBULYWAKNI-NSHDSACASA-N	0	1	244.298	0.304	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2oncc2C)C1	ZINC001015936635	642941719	/nfs/dbraw/zinc/94/17/19/642941719.db2.gz	PGLLDSMDUPJBOH-NSHDSACASA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2cncn2C)C1	ZINC001015998325	642943544	/nfs/dbraw/zinc/94/35/44/642943544.db2.gz	OKIVWLJPQFJFNK-NSHDSACASA-N	0	1	248.330	0.339	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001015903305	642943971	/nfs/dbraw/zinc/94/39/71/642943971.db2.gz	XBMXWQVBEFSVKY-SNVBAGLBSA-N	0	1	234.303	0.329	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cccnn2)C1	ZINC001015887599	642944323	/nfs/dbraw/zinc/94/43/23/642944323.db2.gz	YKHWTZUMHIWSMA-LLVKDONJSA-N	0	1	244.298	0.304	20	30		BCEDMN
C=CC[N@H+]1CC[C@H](NC(=O)CN2CCCC2)C1	ZINC001016259353	642951344	/nfs/dbraw/zinc/95/13/44/642951344.db2.gz	PIHYOTIZLQXQBR-LBPRGKRZSA-N	0	1	237.347	0.459	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)C1	ZINC001016285204	642955017	/nfs/dbraw/zinc/95/50/17/642955017.db2.gz	XLJXFGVIIYYSRX-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccnc(C)n2)C1	ZINC001016285204	642955025	/nfs/dbraw/zinc/95/50/25/642955025.db2.gz	XLJXFGVIIYYSRX-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2nonc2C)C1	ZINC001016416485	642958025	/nfs/dbraw/zinc/95/80/25/642958025.db2.gz	MYBXXROLRZUNQK-JTQLQIEISA-N	0	1	248.286	0.205	20	30		BCEDMN
C#CCOCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000160155210	643073330	/nfs/dbraw/zinc/07/33/30/643073330.db2.gz	BHLGSOVQLYGZHR-JTQLQIEISA-N	0	1	249.314	0.805	20	30		BCEDMN
CC#CCN1CC([C@@H](C)NC(=O)C2CC2)C1	ZINC000969183989	643097910	/nfs/dbraw/zinc/09/79/10/643097910.db2.gz	WVVDXLZTMYSQGI-SNVBAGLBSA-N	0	1	220.316	0.856	20	30		BCEDMN
CC#CCN1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1	ZINC000969336843	643147448	/nfs/dbraw/zinc/14/74/48/643147448.db2.gz	SFIRXYOIRHJQQQ-SNVBAGLBSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cc(C)n[nH]2)C1	ZINC000969348873	643151110	/nfs/dbraw/zinc/15/11/10/643151110.db2.gz	KOJMGYIAEAOFKH-SNVBAGLBSA-N	0	1	248.330	0.954	20	30		BCEDMN
CC#CCN1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1	ZINC000969630725	643201078	/nfs/dbraw/zinc/20/10/78/643201078.db2.gz	FVKOQZUGKFCIAY-SNVBAGLBSA-N	0	1	246.314	0.483	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nc(C)c[nH]2)C1	ZINC001032039861	643209576	/nfs/dbraw/zinc/20/95/76/643209576.db2.gz	GDJGOOVWGLAZPL-UHFFFAOYSA-N	0	1	234.303	0.566	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)[C@H](C)N(C)C	ZINC000890652741	643228877	/nfs/dbraw/zinc/22/88/77/643228877.db2.gz	WVGSIQAJODEUIN-QWRGUYRKSA-N	0	1	208.305	0.951	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CCO[C@H]2C)C1	ZINC001032076124	643237152	/nfs/dbraw/zinc/23/71/52/643237152.db2.gz	LLWZMMYWDHOJPS-CMPLNLGQSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2oncc2C)C1	ZINC001032096378	643249895	/nfs/dbraw/zinc/24/98/95/643249895.db2.gz	ZQJVNBJLUVZZDL-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C#CC[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](C)C1	ZINC000943715723	643254907	/nfs/dbraw/zinc/25/49/07/643254907.db2.gz	ABTUPWBYYDRSNK-VHSXEESVSA-N	0	1	248.286	0.143	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cnon2)[C@@H](C)C1	ZINC000943715723	643254911	/nfs/dbraw/zinc/25/49/11/643254911.db2.gz	ABTUPWBYYDRSNK-VHSXEESVSA-N	0	1	248.286	0.143	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccc(=O)[nH]c2)C1	ZINC001032167856	643278143	/nfs/dbraw/zinc/27/81/43/643278143.db2.gz	GFGHSCXPPNVJJD-UHFFFAOYSA-N	0	1	247.298	0.635	20	30		BCEDMN
C#C[C@H](C)NC(=O)CN1CCC(C)CC1	ZINC000185297453	643285645	/nfs/dbraw/zinc/28/56/45/643285645.db2.gz	OHDKPICDNXYUNK-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
N#Cc1ccc(CC(=O)N2CCNCC2)cc1	ZINC000082652803	643363085	/nfs/dbraw/zinc/36/30/85/643363085.db2.gz	MIKPMWKAOSGOOJ-UHFFFAOYSA-N	0	1	229.283	0.533	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2c[nH]nc2C)C1	ZINC000970241004	643403565	/nfs/dbraw/zinc/40/35/65/643403565.db2.gz	YKXTVDHFPKORFZ-VIFPVBQESA-N	0	1	248.330	0.954	20	30		BCEDMN
C[S@@](=O)CCN1CCC(C)(C#N)CC1	ZINC000307072198	643404356	/nfs/dbraw/zinc/40/43/56/643404356.db2.gz	YESRUAMCBMZZCP-CQSZACIVSA-N	0	1	214.334	0.991	20	30		BCEDMN
CCCCN(CCO)CC(=O)NCCC#N	ZINC000049800464	643442405	/nfs/dbraw/zinc/44/24/05/643442405.db2.gz	QPRWIEJBLTYIAW-UHFFFAOYSA-N	0	1	227.308	0.111	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ccnnc2)C1	ZINC000970484676	643444190	/nfs/dbraw/zinc/44/41/90/643444190.db2.gz	AFBYNZPVESDUQJ-SNVBAGLBSA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCN1CCC(C(=O)OCC(=O)OC)CC1	ZINC000735940520	643570599	/nfs/dbraw/zinc/57/05/99/643570599.db2.gz	QVVJHLWEWKWEDT-UHFFFAOYSA-N	0	1	239.271	0.048	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2nccn2CC)C1	ZINC001010806177	643573629	/nfs/dbraw/zinc/57/36/29/643573629.db2.gz	NOBRQQIVECNGHD-LLVKDONJSA-N	0	1	248.330	0.893	20	30		BCEDMN
CN(C)CC(=O)N[C@@H](C#N)C1CCCC1	ZINC000921539817	643592678	/nfs/dbraw/zinc/59/26/78/643592678.db2.gz	FKAWRPAOBBMVBN-JTQLQIEISA-N	0	1	209.293	0.747	20	30		BCEDMN
COC[C@@H](O)CNCc1cc(C#N)ccc1F	ZINC000071273086	643657535	/nfs/dbraw/zinc/65/75/35/643657535.db2.gz	SQSUNLBTMOABAL-NSHDSACASA-N	0	1	238.262	0.794	20	30		BCEDMN
Cc1ncc(C(=O)N(C)C2CC(NCC#N)C2)[nH]1	ZINC000998547782	643713023	/nfs/dbraw/zinc/71/30/23/643713023.db2.gz	ZHODRCFOVKVNPB-UHFFFAOYSA-N	0	1	247.302	0.434	20	30		BCEDMN
Cc1cc(C(=O)N2CCC[C@H](NCC#N)C2)n[nH]1	ZINC000998672887	643717626	/nfs/dbraw/zinc/71/76/26/643717626.db2.gz	RTIVFQLELGMSJZ-JTQLQIEISA-N	0	1	247.302	0.436	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)C2CC2)CC1	ZINC001000345989	643777898	/nfs/dbraw/zinc/77/78/98/643777898.db2.gz	PAXFKIVPDJGKOO-UHFFFAOYSA-N	0	1	218.300	0.778	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)c2ncc[nH]2)CC1	ZINC001000663603	643795893	/nfs/dbraw/zinc/79/58/93/643795893.db2.gz	WEIVDAMLVPMDNV-UHFFFAOYSA-N	0	1	244.298	0.405	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCCCC#N	ZINC000921907196	643823325	/nfs/dbraw/zinc/82/33/25/643823325.db2.gz	UKNFDULPALUBRL-VIFPVBQESA-N	0	1	210.281	0.293	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)C#CC(C)C	ZINC000922160726	643879961	/nfs/dbraw/zinc/87/99/61/643879961.db2.gz	ZGAQEXLLIFXUSS-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
CC#CCCNC(=O)NC[C@@H]1CCN1C	ZINC000922041303	643852596	/nfs/dbraw/zinc/85/25/96/643852596.db2.gz	VJXRXEQVDCDMQS-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C=CCN(CC=C)C[C@@H](O)C1(O)CCC1	ZINC000929261016	643856184	/nfs/dbraw/zinc/85/61/84/643856184.db2.gz	XJUKIIAJCNUKHN-LLVKDONJSA-N	0	1	211.305	0.936	20	30		BCEDMN
N#Cc1cc(CN[C@@H]2COC[C@H]2O)cs1	ZINC000922163188	643884630	/nfs/dbraw/zinc/88/46/30/643884630.db2.gz	JUWPNZKZTMVPQQ-NXEZZACHSA-N	0	1	224.285	0.469	20	30		BCEDMN
C#CC1(NC(=O)Cc2nnc[nH]2)CCCC1	ZINC000922218389	643906878	/nfs/dbraw/zinc/90/68/78/643906878.db2.gz	JMQZXTUECSKDHB-UHFFFAOYSA-N	0	1	218.260	0.409	20	30		BCEDMN
C=CC[N@@H+](CCOCCOC)CC(=O)[O-]	ZINC000086138635	643924435	/nfs/dbraw/zinc/92/44/35/643924435.db2.gz	IHMZXNGSPXWRGS-UHFFFAOYSA-N	0	1	217.265	0.222	20	30		BCEDMN
C=CC[N@H+](CCOCCOC)CC(=O)[O-]	ZINC000086138635	643924438	/nfs/dbraw/zinc/92/44/38/643924438.db2.gz	IHMZXNGSPXWRGS-UHFFFAOYSA-N	0	1	217.265	0.222	20	30		BCEDMN
C#CCNCC(=O)NCCC(F)(F)F	ZINC000086157314	643934298	/nfs/dbraw/zinc/93/42/98/643934298.db2.gz	CATUPVMJNMCYPN-UHFFFAOYSA-N	0	1	208.183	0.278	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2nc(C)c[nH]2)CC1	ZINC001003772842	643934539	/nfs/dbraw/zinc/93/45/39/643934539.db2.gz	ZHZOLXNENLAXRP-UHFFFAOYSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)Cc1n[nH]c(C)n1	ZINC000922733745	644083068	/nfs/dbraw/zinc/08/30/68/644083068.db2.gz	GOQPWJKUVKJOBN-SECBINFHSA-N	0	1	238.291	0.099	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1CCC1	ZINC000124958351	644084378	/nfs/dbraw/zinc/08/43/78/644084378.db2.gz	JZQSKBQQAJGULE-JTQLQIEISA-N	0	1	238.287	0.648	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000922958488	644201359	/nfs/dbraw/zinc/20/13/59/644201359.db2.gz	IIHQRUXRHDGRTA-AXFHLTTASA-N	0	1	236.319	0.682	20	30		BCEDMN
C#CCN(C(=O)NCCCc1nc[nH]n1)C(C)C	ZINC000923128317	644267318	/nfs/dbraw/zinc/26/73/18/644267318.db2.gz	MZXMMOCLGFRYRU-UHFFFAOYSA-N	0	1	249.318	0.791	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NC[C@H]1CCN1C	ZINC000923221594	644290755	/nfs/dbraw/zinc/29/07/55/644290755.db2.gz	HGNIJWWIUCREFC-GHMZBOCLSA-N	0	1	223.320	0.792	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)/C=C\C)C1	ZINC000923554762	644498642	/nfs/dbraw/zinc/49/86/42/644498642.db2.gz	OYKULUDBOFJEPW-ZTYXWKCZSA-N	0	1	206.289	0.776	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc(F)cc1	ZINC000087555847	644499377	/nfs/dbraw/zinc/49/93/77/644499377.db2.gz	GAFCDXZUYCFNBN-UHFFFAOYSA-N	0	1	220.247	0.665	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)C2(N(C)C)CC2)C1	ZINC000923558156	644503143	/nfs/dbraw/zinc/50/31/43/644503143.db2.gz	WPLNDOOWHPRICX-GFCCVEGCSA-N	0	1	249.358	0.294	20	30		BCEDMN
CC[N@H+]1CCCC[C@@H]1C([O-])=NOCC(N)=O	ZINC000089462736	644551616	/nfs/dbraw/zinc/55/16/16/644551616.db2.gz	POCXTKZYUNXXMM-MRVPVSSYSA-N	0	1	229.280	0.234	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cnn(C(C)C)c1	ZINC000754800359	644611599	/nfs/dbraw/zinc/61/15/99/644611599.db2.gz	OJTWDJRXGRBPHC-NSHDSACASA-N	0	1	248.330	0.864	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000775157330	644701042	/nfs/dbraw/zinc/70/10/42/644701042.db2.gz	RPSFLERDXDUMMZ-NSHDSACASA-N	0	1	241.294	0.958	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccncc2)N1	ZINC000779798239	644714920	/nfs/dbraw/zinc/71/49/20/644714920.db2.gz	NPUPSLOQEKIXIA-QMMMGPOBSA-N	0	1	203.249	0.353	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cc(O)cc(O)c1	ZINC000779805633	644717361	/nfs/dbraw/zinc/71/73/61/644717361.db2.gz	QPWRBGGJTYUSSH-ZETCQYMHSA-N	0	1	248.286	0.759	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc(F)c2O)N1	ZINC000779804649	644717466	/nfs/dbraw/zinc/71/74/66/644717466.db2.gz	GIIQONQVESRSOC-SSDOTTSWSA-N	0	1	236.250	0.803	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1	ZINC000958008933	644770013	/nfs/dbraw/zinc/77/00/13/644770013.db2.gz	QHJWUNBHQMTEKD-URLYPYJESA-N	0	1	204.273	0.076	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1	ZINC000958047581	644772388	/nfs/dbraw/zinc/77/23/88/644772388.db2.gz	BSCRYEIDBMUDBJ-PJXYFTJBSA-N	0	1	218.300	0.466	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1	ZINC000958354190	644791160	/nfs/dbraw/zinc/79/11/60/644791160.db2.gz	BRGKJJOKNRNLHG-WUHRBBMRSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1	ZINC000958354188	644791551	/nfs/dbraw/zinc/79/15/51/644791551.db2.gz	BRGKJJOKNRNLHG-NDBYEHHHSA-N	0	1	248.326	0.093	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1	ZINC000958398099	644794034	/nfs/dbraw/zinc/79/40/34/644794034.db2.gz	YFKYIYBLYZXPMA-IAZYJMLFSA-N	0	1	245.282	0.358	20	30		BCEDMN
N#CCCNC[C@@H](O)COCc1ccco1	ZINC000819269941	645009680	/nfs/dbraw/zinc/00/96/80/645009680.db2.gz	QZGZNZHWPWDUDV-SNVBAGLBSA-N	0	1	224.260	0.660	20	30		BCEDMN
C[C@H](C#N)OCCN1CC[C@](O)(CC#N)C1	ZINC000829998481	645113625	/nfs/dbraw/zinc/11/36/25/645113625.db2.gz	MKUBPBZBXYQFSC-GHMZBOCLSA-N	0	1	223.276	0.266	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)C1(N(C)C)CC1	ZINC000834364365	645140421	/nfs/dbraw/zinc/14/04/21/645140421.db2.gz	YMGPYGDGKOMEMG-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccncc1	ZINC000834521214	645142646	/nfs/dbraw/zinc/14/26/46/645142646.db2.gz	DYFABRGUCJXGPZ-NEPJUHHUSA-N	0	1	244.298	0.242	20	30		BCEDMN
Cc1ncccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834484267	645143524	/nfs/dbraw/zinc/14/35/24/645143524.db2.gz	GMPSYEZJJXRLQS-MWLCHTKSSA-N	0	1	230.271	0.231	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cn(C3CCC3)nn2)=NO1	ZINC000843839911	645310860	/nfs/dbraw/zinc/31/08/60/645310860.db2.gz	JELZYEJYMSAKFH-ZETCQYMHSA-N	0	1	249.274	0.855	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CO[C@H](C)[C@@H]2C)nn1	ZINC000926611440	645313399	/nfs/dbraw/zinc/31/33/99/645313399.db2.gz	MIXXNVBNGIAIDI-HOSYDEDBSA-N	0	1	236.319	0.977	20	30		BCEDMN
C#CC[C@H]1NC(=O)N(Cc2cc(CC)[nH]n2)C1=O	ZINC000927506937	645631047	/nfs/dbraw/zinc/63/10/47/645631047.db2.gz	LRIYRYQNMZKEQG-SNVBAGLBSA-N	0	1	246.270	0.416	20	30		BCEDMN
C[C@H](C(=O)N1CCC[C@@H](C#N)C1)N(C)C	ZINC000928211577	645710259	/nfs/dbraw/zinc/71/02/59/645710259.db2.gz	KVUBOPGXXKAZPY-ZJUUUORDSA-N	0	1	209.293	0.699	20	30		BCEDMN
N#C[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000928217775	645714042	/nfs/dbraw/zinc/71/40/42/645714042.db2.gz	UATOJOPFROVCTP-QMMMGPOBSA-N	0	1	219.248	0.109	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C	ZINC000928553633	645809765	/nfs/dbraw/zinc/80/97/65/645809765.db2.gz	HLNGXHKKXNOSJE-AXFHLTTASA-N	0	1	224.304	0.398	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)Cc1cccc(C#N)c1	ZINC000928562825	645823557	/nfs/dbraw/zinc/82/35/57/645823557.db2.gz	IKGXWCVNNMRDSQ-ZDUSSCGKSA-N	0	1	243.310	0.921	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H]2CCC=CO2)CC1	ZINC000928653866	645852469	/nfs/dbraw/zinc/85/24/69/645852469.db2.gz	DDDLSSNIXYYCBJ-CYBMUJFWSA-N	0	1	248.326	0.893	20	30		BCEDMN
C#CCN1CCC(NC(=O)C#CC2CC2)CC1	ZINC000928648709	645853267	/nfs/dbraw/zinc/85/32/67/645853267.db2.gz	AFZGWMFXDHXSRQ-UHFFFAOYSA-N	0	1	230.311	0.614	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCCN(C(=O)CC)CC1	ZINC000929318158	646077979	/nfs/dbraw/zinc/07/79/79/646077979.db2.gz	DVENACYLKWZZNV-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
C#CCN(C[C@H](O)CO)[C@@H]1CCc2ccccc21	ZINC000929336039	646085768	/nfs/dbraw/zinc/08/57/68/646085768.db2.gz	ZYSVGJJVOMDEKE-DZGCQCFKSA-N	0	1	245.322	0.962	20	30		BCEDMN
CN1C[C@@H](O)C[C@H]1CNC(=O)C#CC(C)(C)C	ZINC000924978872	646147432	/nfs/dbraw/zinc/14/74/32/646147432.db2.gz	LLXLJVLJJINGDX-QWRGUYRKSA-N	0	1	238.331	0.217	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CC[C@](F)(C#N)C1	ZINC000925419888	646272703	/nfs/dbraw/zinc/27/27/03/646272703.db2.gz	GZBKGPTWJBQLNI-ONGXEEELSA-N	0	1	240.282	0.338	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CCC[C@H](C#N)C1	ZINC000925432769	646277568	/nfs/dbraw/zinc/27/75/68/646277568.db2.gz	OXJCPUIZKQGOLD-GHMZBOCLSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=C(C)[C@H](CO)N(CCO)Cc1cccnc1	ZINC000929840562	646352137	/nfs/dbraw/zinc/35/21/37/646352137.db2.gz	XDCOCUWYMHNMKQ-ZDUSSCGKSA-N	0	1	236.315	0.813	20	30		BCEDMN
CCc1[nH]ccc1C(=O)NCC#CCN(C)C	ZINC000913522422	711824126	/nfs/dbraw/zinc/82/41/26/711824126.db2.gz	IUNVUVBVSMBSIN-UHFFFAOYSA-N	0	1	233.315	0.872	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@H]1CC12CC2	ZINC000913523104	711823105	/nfs/dbraw/zinc/82/31/05/711823105.db2.gz	MELISSSXXSGMAZ-JTQLQIEISA-N	0	1	206.289	0.468	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1	ZINC001031858154	711893605	/nfs/dbraw/zinc/89/36/05/711893605.db2.gz	QJRRZCWQLIGJIN-PWSUYJOCSA-N	0	1	238.331	0.645	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1	ZINC001033063441	711973811	/nfs/dbraw/zinc/97/38/11/711973811.db2.gz	BDWYIYYTRHTRKC-UWVGGRQHSA-N	0	1	242.269	0.808	20	30		BCEDMN
C=CCN[C@H]1COCCC1(OC)OC	ZINC000704684371	712113347	/nfs/dbraw/zinc/11/33/47/712113347.db2.gz	BDZQPAITRZBWGS-VIFPVBQESA-N	0	1	201.266	0.540	20	30		BCEDMN
C[C@H](O)[C@@H]1CCCCN1CC(=O)NCCC#N	ZINC000708314143	712186380	/nfs/dbraw/zinc/18/63/80/712186380.db2.gz	ZEXHKKYWBYQICI-QWRGUYRKSA-N	0	1	239.319	0.252	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708338599	712188742	/nfs/dbraw/zinc/18/87/42/712188742.db2.gz	UROOOMUIPKQXLC-NSHDSACASA-N	0	1	221.260	0.657	20	30		BCEDMN
C=C(Cl)CNC(=O)C1=NC(=O)N(C)C1	ZINC000708375567	712191044	/nfs/dbraw/zinc/19/10/44/712191044.db2.gz	WWMZCNQKPYDHQE-UHFFFAOYSA-N	0	1	215.640	0.608	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)C[C@@H]1CCCN1C	ZINC000711065672	712278368	/nfs/dbraw/zinc/27/83/68/712278368.db2.gz	UKZCWWYVYRBFBQ-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CC[C@H](COC)NCCS(=O)(=O)CC	ZINC000716340027	712555356	/nfs/dbraw/zinc/55/53/56/712555356.db2.gz	LPGZDXUGJOXJNL-SNVBAGLBSA-N	0	1	233.333	0.049	20	30		BCEDMN
C=C(Br)CN[C@@](C)(CO)COC	ZINC000716885073	712580515	/nfs/dbraw/zinc/58/05/15/712580515.db2.gz	KRJGEIXLARLONG-QMMMGPOBSA-N	0	1	238.125	0.882	20	30		BCEDMN
C=CCC1(O)CCN(CC(=O)NCC)CC1	ZINC000717421780	712657337	/nfs/dbraw/zinc/65/73/37/712657337.db2.gz	DAPUCZCHLPVTCF-UHFFFAOYSA-N	0	1	226.320	0.526	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccnc(OC)n1	ZINC000717711396	712666212	/nfs/dbraw/zinc/66/62/12/712666212.db2.gz	XPCGHNUHJYTAMU-NSHDSACASA-N	0	1	235.287	0.349	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(OC)ns1	ZINC000717711218	712666426	/nfs/dbraw/zinc/66/64/26/712666426.db2.gz	VNTHSKKPHDXDTQ-QMMMGPOBSA-N	0	1	226.301	0.626	20	30		BCEDMN
CCCSCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000381622206	710662338	/nfs/dbraw/zinc/66/23/38/710662338.db2.gz	CYDUWIXDWIQQAJ-BDAKNGLRSA-N	0	1	227.333	0.357	20	30		BCEDMN
C=C(Cl)CN[C@H]1CCN(C(C)=O)C1	ZINC001018376422	710665755	/nfs/dbraw/zinc/66/57/55/710665755.db2.gz	USMRGYFSJMDQGE-VIFPVBQESA-N	0	1	202.685	0.949	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)N(C)C)[C@@H]1CCCO1	ZINC000393750011	710672433	/nfs/dbraw/zinc/67/24/33/710672433.db2.gz	BLHZXMFYQJRZQN-VWYCJHECSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ccn(C)c1	ZINC001038166540	710676587	/nfs/dbraw/zinc/67/65/87/710676587.db2.gz	HEPOSQLNQFMSOP-ZDUSSCGKSA-N	0	1	245.326	0.853	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cn(C)cn1	ZINC001038163484	710676774	/nfs/dbraw/zinc/67/67/74/710676774.db2.gz	JJXQOPBGJTZGPX-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ncc[nH]1	ZINC001038228016	710680998	/nfs/dbraw/zinc/68/09/98/710680998.db2.gz	MZHQPHXWDKLUPT-JTQLQIEISA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ncc[nH]1	ZINC001038228017	710681328	/nfs/dbraw/zinc/68/13/28/710681328.db2.gz	MZHQPHXWDKLUPT-SNVBAGLBSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#C[C@H](C)NCc1cnc2n1CCOC2	ZINC000722844621	710722674	/nfs/dbraw/zinc/72/26/74/710722674.db2.gz	MREVMJLHYBHMSZ-VIFPVBQESA-N	0	1	205.261	0.525	20	30		BCEDMN
C#CCN1CC[C@H]2CCN(C(=O)C3CC3)C[C@@H]21	ZINC001041877138	710771994	/nfs/dbraw/zinc/77/19/94/710771994.db2.gz	YPTCHOKBVZVHBH-AAEUAGOBSA-N	0	1	232.327	0.952	20	30		BCEDMN
C=CCN1CC(N(C)C(=O)c2cc(C)[nH]n2)C1	ZINC001042508132	710789318	/nfs/dbraw/zinc/78/93/18/710789318.db2.gz	VURQUYCTGYFJBQ-UHFFFAOYSA-N	0	1	234.303	0.660	20	30		BCEDMN
CC#CCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1	ZINC001042563951	710793223	/nfs/dbraw/zinc/79/32/23/710793223.db2.gz	BKGQNPYNJPHBIJ-UHFFFAOYSA-N	0	1	246.314	0.118	20	30		BCEDMN
CC#CCN1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046165399	710853184	/nfs/dbraw/zinc/85/31/84/710853184.db2.gz	UCCIILQSVLBRCJ-CYBMUJFWSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCOC2)C1	ZINC001046177318	710855437	/nfs/dbraw/zinc/85/54/37/710855437.db2.gz	IPBHAPMJXMLKBO-DGCLKSJQSA-N	0	1	236.315	0.237	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1	ZINC001046530861	710860739	/nfs/dbraw/zinc/86/07/39/710860739.db2.gz	JYYFAPMQPVQKLD-LBPRGKRZSA-N	0	1	249.318	0.493	20	30		BCEDMN
C#CCN1C[C@@H]2CCCN(C(=O)COC)[C@@H]2C1	ZINC001049942636	710904196	/nfs/dbraw/zinc/90/41/96/710904196.db2.gz	RDLXOFIDZPBEEH-NWDGAFQWSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1	ZINC001049999094	710906149	/nfs/dbraw/zinc/90/61/49/710906149.db2.gz	SWLSAQVKVDBRNP-FRRDWIJNSA-N	0	1	245.326	0.702	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@H](C)[C@H](NCC#N)C2)[nH]1	ZINC001054477681	710936362	/nfs/dbraw/zinc/93/63/62/710936362.db2.gz	CHVYPXKAGULGPK-GZMMTYOYSA-N	0	1	247.302	0.292	20	30		BCEDMN
Nc1ccc(CN=Nc2cccnn2)cn1	ZINC000390138171	711106700	/nfs/dbraw/zinc/10/67/00/711106700.db2.gz	NCTIYVYAFMJLED-UHFFFAOYSA-N	0	1	214.232	0.730	20	30		BCEDMN
CC(=NOCC(N)=O)c1ccc(N)cc1C	ZINC000390267774	711111710	/nfs/dbraw/zinc/11/17/10/711111710.db2.gz	QMVXADDRCCNTGR-UHFFFAOYSA-N	0	1	221.260	0.803	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1csc(N)n1	ZINC000390347881	711112476	/nfs/dbraw/zinc/11/24/76/711112476.db2.gz	OOACMNUOTDVNQU-YFKPBYRVSA-N	0	1	238.320	0.217	20	30		BCEDMN
C=CCN1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2	ZINC001071107742	711166969	/nfs/dbraw/zinc/16/69/69/711166969.db2.gz	KFYCPNJRHDWKGZ-DGCLKSJQSA-N	0	1	238.331	0.884	20	30		BCEDMN
C#CCN1C[C@@H](NC(=O)C2CC2)CC[C@@H]1C	ZINC001071291878	711185942	/nfs/dbraw/zinc/18/59/42/711185942.db2.gz	QMNINTBETWAGFZ-JQWIXIFHSA-N	0	1	220.316	0.999	20	30		BCEDMN
C#CC[N@@H+]1C[C@H](NC(=O)c2cnn[n-]2)CC[C@@H]1C	ZINC001071634589	711197291	/nfs/dbraw/zinc/19/72/91/711197291.db2.gz	FZQMEVWROTYYIL-VHSXEESVSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@H]1COC	ZINC000396058109	711220232	/nfs/dbraw/zinc/22/02/32/711220232.db2.gz	JAPSBPXHZLSSML-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@H](C)OC)C2)C1	ZINC001072526421	711378998	/nfs/dbraw/zinc/37/89/98/711378998.db2.gz	XEKSCEBROUZKAP-NSHDSACASA-N	0	1	236.315	0.189	20	30		BCEDMN
Cc1c[nH][nH]c1=NC(=O)c1ccc(C#N)c(O)c1	ZINC000487631844	711399639	/nfs/dbraw/zinc/39/96/39/711399639.db2.gz	ILFARBOCZNGDIS-UHFFFAOYSA-N	0	1	242.238	0.970	20	30		BCEDMN
O=C(C#Cc1ccccc1)NCc1c[nH]nn1	ZINC000398412229	711409353	/nfs/dbraw/zinc/40/93/53/711409353.db2.gz	UCYNKGFVXBFQEW-UHFFFAOYSA-N	0	1	226.239	0.473	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cc(C)ncn2)C1	ZINC001010648918	710594277	/nfs/dbraw/zinc/59/42/77/710594277.db2.gz	GQSSYPVAUPSUCY-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cc(C)ncn2)C1	ZINC001010648921	710594667	/nfs/dbraw/zinc/59/46/67/710594667.db2.gz	GQSSYPVAUPSUCY-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2c(C)ncn2C)C1	ZINC001014825857	710613582	/nfs/dbraw/zinc/61/35/82/710613582.db2.gz	XSOUAFUQCBTFGQ-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2ccon2)CC1	ZINC001045372845	710838142	/nfs/dbraw/zinc/83/81/42/710838142.db2.gz	PPZZZTFYNWQRKI-UHFFFAOYSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2ccn[nH]2)CC1	ZINC001045370549	710838492	/nfs/dbraw/zinc/83/84/92/710838492.db2.gz	JVPZAKKVIVMFNU-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046161824	710851888	/nfs/dbraw/zinc/85/18/88/710851888.db2.gz	BTNFGPHCEJKXEB-GFCCVEGCSA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046163336	710852507	/nfs/dbraw/zinc/85/25/07/710852507.db2.gz	XTLIHYUGPCXLGX-GFCCVEGCSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2ccc[nH]2)C1	ZINC001046139073	710852586	/nfs/dbraw/zinc/85/25/86/710852586.db2.gz	BMDWSDZWGBXBKS-ZDUSSCGKSA-N	0	1	231.299	0.842	20	30		BCEDMN
C=CC[N@H+](CCC1(O)CCC1)CC(=O)[O-]	ZINC000396775446	711371121	/nfs/dbraw/zinc/37/11/21/711371121.db2.gz	BCLDMYJSUNXRGP-UHFFFAOYSA-N	0	1	213.277	0.864	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1	ZINC001072526420	711379864	/nfs/dbraw/zinc/37/98/64/711379864.db2.gz	XEKSCEBROUZKAP-LLVKDONJSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1	ZINC001072710341	711394034	/nfs/dbraw/zinc/39/40/34/711394034.db2.gz	CKFCBVRXSUUZLI-UHFFFAOYSA-N	0	1	244.298	0.191	20	30		BCEDMN
C#CC1(O)CN(C(=O)c2c(O)cccc2F)C1	ZINC000890524261	711452090	/nfs/dbraw/zinc/45/20/90/711452090.db2.gz	HYZPKTFTCVKNND-UHFFFAOYSA-N	0	1	235.214	0.351	20	30		BCEDMN
COCCN(C)N=C(C)c1ccc(N)nc1	ZINC000393454663	711477356	/nfs/dbraw/zinc/47/73/56/711477356.db2.gz	BCQZCDDZTNMRFF-UHFFFAOYSA-N	0	1	222.292	0.796	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2nc(C)c[nH]2)C1	ZINC000970560703	711479560	/nfs/dbraw/zinc/47/95/60/711479560.db2.gz	PPEISSIMIWXKBG-JTQLQIEISA-N	0	1	248.330	0.954	20	30		BCEDMN
O=C(Cc1nnc[nH]1)NCC#C[C@H]1CCCCO1	ZINC000891117100	711483802	/nfs/dbraw/zinc/48/38/02/711483802.db2.gz	SLRSYRHYAOVMSB-SNVBAGLBSA-N	0	1	248.286	0.036	20	30		BCEDMN
CC#CCN[C@@H]1C(=O)NCC1(CC)CC	ZINC000933286816	711510957	/nfs/dbraw/zinc/51/09/57/711510957.db2.gz	FBSLJPUIAKMBCK-SNVBAGLBSA-N	0	1	208.305	0.904	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCCO1	ZINC001038041390	711566048	/nfs/dbraw/zinc/56/60/48/711566048.db2.gz	RZLFHFUPAYFZOW-NWDGAFQWSA-N	0	1	238.331	0.932	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cc(C)nn1C	ZINC000717732096	711615969	/nfs/dbraw/zinc/61/59/69/711615969.db2.gz	GNFGDPFNZOLKPM-LLVKDONJSA-N	0	1	221.304	0.592	20	30		BCEDMN
COC[C@@](C)(CO)NCc1cncc(C#N)c1	ZINC000721588298	711654252	/nfs/dbraw/zinc/65/42/52/711654252.db2.gz	YKJRSHFDLFYUND-GFCCVEGCSA-N	0	1	235.287	0.440	20	30		BCEDMN
CNC(=O)[C@@H]1CCN(Cc2cncc(C#N)c2)C1	ZINC000721626854	711671374	/nfs/dbraw/zinc/67/13/74/711671374.db2.gz	ZBTFXFPNPOTIBH-GFCCVEGCSA-N	0	1	244.298	0.521	20	30		BCEDMN
CC(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000125183847	711718739	/nfs/dbraw/zinc/71/87/39/711718739.db2.gz	HTPFYABWHVNMAG-QMMMGPOBSA-N	0	1	203.201	0.749	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cnnn1C	ZINC001027855681	711739511	/nfs/dbraw/zinc/73/95/11/711739511.db2.gz	USDIHYKITSZQSN-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ncccn1	ZINC001038833354	711748010	/nfs/dbraw/zinc/74/80/10/711748010.db2.gz	NNGDQJDONIUIRY-NSHDSACASA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CCCN(C(=O)[C@H](C)OC)CC1	ZINC000980783610	711748807	/nfs/dbraw/zinc/74/88/07/711748807.db2.gz	JRSGYPVMHZOTAX-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000048542931	711770114	/nfs/dbraw/zinc/77/01/14/711770114.db2.gz	VKNPHMUWXSGFAI-XHNCKOQMSA-N	0	1	208.261	0.876	20	30		BCEDMN
COC[C@@H](C)CN1CCN(C(=O)CC#N)CC1	ZINC000895065273	711775409	/nfs/dbraw/zinc/77/54/09/711775409.db2.gz	ACACFDIRQVEOFW-NSHDSACASA-N	0	1	239.319	0.327	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1	ZINC001076379411	711805013	/nfs/dbraw/zinc/80/50/13/711805013.db2.gz	JQRRFDHXXPYUJD-GXSJLCMTSA-N	0	1	248.286	0.402	20	30		BCEDMN
C#C[C@@H](NC(=O)c1[nH]ncc1F)[C@@H]1CCCO1	ZINC000907484306	711815983	/nfs/dbraw/zinc/81/59/83/711815983.db2.gz	AHSCZLVEFHZMPP-BDAKNGLRSA-N	0	1	237.234	0.459	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccncc1	ZINC000913514252	711823281	/nfs/dbraw/zinc/82/32/81/711823281.db2.gz	JSWGISQDNWKNMR-UHFFFAOYSA-N	0	1	217.272	0.376	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1CCOCC1	ZINC000913515130	711823315	/nfs/dbraw/zinc/82/33/15/711823315.db2.gz	KHGCBMURGZOJBR-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
CCC(C)(C)[C@@H](O)C(=O)NCC#CCN(C)C	ZINC000913524354	711823583	/nfs/dbraw/zinc/82/35/83/711823583.db2.gz	JUQHGKPPRRSXFD-NSHDSACASA-N	0	1	240.347	0.465	20	30		BCEDMN
C[C@@H](C(=O)NCC#CCN(C)C)c1cnccn1	ZINC000913524625	711823606	/nfs/dbraw/zinc/82/36/06/711823606.db2.gz	VUFSAXQZHUIXCB-LLVKDONJSA-N	0	1	246.314	0.261	20	30		BCEDMN
CSCC(=O)NCC#CCN(C)C	ZINC000913515515	711823611	/nfs/dbraw/zinc/82/36/11/711823611.db2.gz	ZUKBQJXKNSKVDI-UHFFFAOYSA-N	0	1	200.307	0.031	20	30		BCEDMN
CC(C)n1cc(C(=O)NCC#CCN(C)C)cn1	ZINC000913521166	711823963	/nfs/dbraw/zinc/82/39/63/711823963.db2.gz	NEELTDPHVWPTOE-UHFFFAOYSA-N	0	1	248.330	0.759	20	30		BCEDMN
C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCOC1	ZINC001038099318	711824928	/nfs/dbraw/zinc/82/49/28/711824928.db2.gz	WNFKTESXFFUCJQ-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1C	ZINC001038581744	711876538	/nfs/dbraw/zinc/87/65/38/711876538.db2.gz	UISHRPBGLXFHPP-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cn(CC)cn2)C1	ZINC001032131893	711904366	/nfs/dbraw/zinc/90/43/66/711904366.db2.gz	DWLRPZRDWKWDMO-UHFFFAOYSA-N	0	1	248.330	0.751	20	30		BCEDMN
C=CC[C@H](CO)CNCc1cnn(C)n1	ZINC000382424844	711940121	/nfs/dbraw/zinc/94/01/21/711940121.db2.gz	XVUFDIQELAEILC-VIFPVBQESA-N	0	1	210.281	0.089	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cn2cccn2)C1	ZINC001032905749	711966807	/nfs/dbraw/zinc/96/68/07/711966807.db2.gz	OGRSJFDPAPHCIO-GFCCVEGCSA-N	0	1	246.314	0.049	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1	ZINC001032926672	711968868	/nfs/dbraw/zinc/96/88/68/711968868.db2.gz	VCDHISZQNRUBRM-NSHDSACASA-N	0	1	234.303	0.742	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1	ZINC001032944259	711969231	/nfs/dbraw/zinc/96/92/31/711969231.db2.gz	WOUCXJJZPJRIBS-NEPJUHHUSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)C2=CCOCC2)C1	ZINC001033035385	711971654	/nfs/dbraw/zinc/97/16/54/711971654.db2.gz	FOESGUSUQFPFPR-ZDUSSCGKSA-N	0	1	248.326	0.499	20	30		BCEDMN
C#CCCN1CC[C@H](N(C)C(=O)c2cnco2)C1	ZINC001033310290	711981974	/nfs/dbraw/zinc/98/19/74/711981974.db2.gz	UYODDGULOVKKJE-NSHDSACASA-N	0	1	247.298	0.844	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1	ZINC001033457287	711991896	/nfs/dbraw/zinc/99/18/96/711991896.db2.gz	HNVMAYGZCJSZRQ-LBPRGKRZSA-N	0	1	246.314	0.118	20	30		BCEDMN
C#CCCNC(=O)c1ccc2[nH]nnc2c1	ZINC000700579338	711997717	/nfs/dbraw/zinc/99/77/17/711997717.db2.gz	CDDRBDCFWQVEQC-UHFFFAOYSA-N	0	1	214.228	0.711	20	30		BCEDMN
C=C(C)CN1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1	ZINC001033516087	711999151	/nfs/dbraw/zinc/99/91/51/711999151.db2.gz	PYQJAOTUQIKRBW-JTQLQIEISA-N	0	1	249.318	0.527	20	30		BCEDMN
C#CCCN(CCOC)C(=O)Cc1ccn[nH]1	ZINC000700627242	712003139	/nfs/dbraw/zinc/00/31/39/712003139.db2.gz	KIZIKHGBHIBCOM-UHFFFAOYSA-N	0	1	235.287	0.451	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1	ZINC001033655480	712010549	/nfs/dbraw/zinc/01/05/49/712010549.db2.gz	HYPVOINGXWSFDG-NSHDSACASA-N	0	1	248.330	0.752	20	30		BCEDMN
C=CCN1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1	ZINC001033993145	712031914	/nfs/dbraw/zinc/03/19/14/712031914.db2.gz	PNDDIVKLWPGHRW-SNVBAGLBSA-N	0	1	249.318	0.527	20	30		BCEDMN
N#Cc1cccc(CN[C@@H]2CNOC2)c1	ZINC000703388138	712075051	/nfs/dbraw/zinc/07/50/51/712075051.db2.gz	BPAFFTPFUYHVCD-LLVKDONJSA-N	0	1	203.245	0.551	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)C1CC(OC)C1	ZINC000703418836	712076688	/nfs/dbraw/zinc/07/66/88/712076688.db2.gz	BEOYSYWDFGYWSA-UHFFFAOYSA-N	0	1	238.331	0.483	20	30		BCEDMN
N#Cc1ncc[nH]c1=NOC[C@H]1CCOC1	ZINC000788082027	712086893	/nfs/dbraw/zinc/08/68/93/712086893.db2.gz	CNNODUGRSWWGOJ-QMMMGPOBSA-N	0	1	220.232	0.728	20	30		BCEDMN
C[C@@H]1CNCCN1C(=O)Cc1ccc(C#N)cc1	ZINC000704665065	712112799	/nfs/dbraw/zinc/11/27/99/712112799.db2.gz	IUXMUUUNBBFTSA-LLVKDONJSA-N	0	1	243.310	0.921	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)Cc1ccc(C#N)cc1	ZINC000704665068	712112903	/nfs/dbraw/zinc/11/29/03/712112903.db2.gz	IUXMUUUNBBFTSA-NSHDSACASA-N	0	1	243.310	0.921	20	30		BCEDMN
C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1	ZINC000704665697	712114314	/nfs/dbraw/zinc/11/43/14/712114314.db2.gz	ODVVHIILXXIEAR-NSHDSACASA-N	0	1	243.310	0.921	20	30		BCEDMN
C=CCN1CC2(C1)CCN(C(=O)COC)CC2	ZINC001035624748	712137656	/nfs/dbraw/zinc/13/76/56/712137656.db2.gz	GDKNUGBVKFSNFF-UHFFFAOYSA-N	0	1	238.331	0.743	20	30		BCEDMN
C#CC1(O)CCN(C[C@H](O)C(F)(F)F)CC1	ZINC000708121563	712182598	/nfs/dbraw/zinc/18/25/98/712182598.db2.gz	FJIWXRXQJGDLBK-QMMMGPOBSA-N	0	1	237.221	0.370	20	30		BCEDMN
C#C[C@H](NC(=O)C1=NC(=O)N(C)C1)C(C)(C)C	ZINC000708367717	712191257	/nfs/dbraw/zinc/19/12/57/712191257.db2.gz	UVFNKZLTKQBUHC-VIFPVBQESA-N	0	1	235.287	0.903	20	30		BCEDMN
CN1CC(C(=O)NCCCC#N)=NC1=O	ZINC000708392515	712191725	/nfs/dbraw/zinc/19/17/25/712191725.db2.gz	QFSQIUKMZFZAEV-UHFFFAOYSA-N	0	1	208.221	0.159	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)C1=NC(=O)N(C)C1	ZINC000708395978	712192660	/nfs/dbraw/zinc/19/26/60/712192660.db2.gz	PMKJXMFWKNXQLF-ZETCQYMHSA-N	0	1	222.248	0.357	20	30		BCEDMN
C#CCCCN(C)[C@@H](C)CS(C)(=O)=O	ZINC000708468469	712195677	/nfs/dbraw/zinc/19/56/77/712195677.db2.gz	FIOPMLBIGGKNKY-JTQLQIEISA-N	0	1	217.334	0.765	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@]1(COC)CNCCO1	ZINC000710847862	712258914	/nfs/dbraw/zinc/25/89/14/712258914.db2.gz	AJUQLGWOKSSHRS-ZYHUDNBSSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1	ZINC001079460996	712348851	/nfs/dbraw/zinc/34/88/51/712348851.db2.gz	NMKABSGPPWYYIW-BXKDBHETSA-N	0	1	248.330	0.954	20	30		BCEDMN
CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001079438716	712349075	/nfs/dbraw/zinc/34/90/75/712349075.db2.gz	GAXYKLFVNZSUKS-ZYHUDNBSSA-N	0	1	246.314	0.483	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)C)C1	ZINC001079433093	712349284	/nfs/dbraw/zinc/34/92/84/712349284.db2.gz	IRYZBIUYOFSHOY-GHMZBOCLSA-N	0	1	208.305	0.712	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1	ZINC001079613259	712350138	/nfs/dbraw/zinc/35/01/38/712350138.db2.gz	KXJDPFHPEKHVST-DGCLKSJQSA-N	0	1	246.310	0.892	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000786446647	712420225	/nfs/dbraw/zinc/42/02/25/712420225.db2.gz	BWNXNQKNDSUFAC-HLTSFMKQSA-N	0	1	224.260	0.114	20	30		BCEDMN
CN1CC[C@H]1CNc1cncc(C#N)n1	ZINC000712592522	712435375	/nfs/dbraw/zinc/43/53/75/712435375.db2.gz	STJPORMNXIMXCP-VIFPVBQESA-N	0	1	203.249	0.464	20	30		BCEDMN
CCN1CC[C@@H]1CNc1ccc(C#N)nn1	ZINC000712591758	712435472	/nfs/dbraw/zinc/43/54/72/712435472.db2.gz	MHTUFGPQLKITQP-SNVBAGLBSA-N	0	1	217.276	0.854	20	30		BCEDMN
CCN1CC[C@H]1CNc1cnc(C#N)cn1	ZINC000712569113	712447076	/nfs/dbraw/zinc/44/70/76/712447076.db2.gz	IVCVEILMQMOFCW-JTQLQIEISA-N	0	1	217.276	0.854	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cc(C)nn1C	ZINC000716355028	712556232	/nfs/dbraw/zinc/55/62/32/712556232.db2.gz	UHFDQAXONUXTBO-NSHDSACASA-N	0	1	221.304	0.856	20	30		BCEDMN
C#CC[C@H](COC)Nc1ncnc2[nH]cnc21	ZINC000716396519	712557978	/nfs/dbraw/zinc/55/79/78/712557978.db2.gz	UXSVOAWMBBSVDF-MRVPVSSYSA-N	0	1	231.259	0.803	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)c1[nH]nc(C)c1C	ZINC000716624588	712568000	/nfs/dbraw/zinc/56/80/00/712568000.db2.gz	TXOJGLPXFUVNCU-SNVBAGLBSA-N	0	1	235.287	0.795	20	30		BCEDMN
C#CC[C@H](COC)NCc1ccnc(OC)n1	ZINC000716817826	712576526	/nfs/dbraw/zinc/57/65/26/712576526.db2.gz	HBTYTDMDZWKUKQ-LLVKDONJSA-N	0	1	235.287	0.613	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@@H]2CCCN2C2CC2)C1	ZINC000881940968	712634939	/nfs/dbraw/zinc/63/49/39/712634939.db2.gz	TVCSECKWJRKGQS-NSHDSACASA-N	0	1	236.290	0.797	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccnc(F)c1	ZINC000717679526	712664316	/nfs/dbraw/zinc/66/43/16/712664316.db2.gz	KXQBEXDGEZXDHI-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cccc2c1OCO2	ZINC000717741788	712668433	/nfs/dbraw/zinc/66/84/33/712668433.db2.gz	YRZLZONAZQXIHO-NSHDSACASA-N	0	1	233.267	0.889	20	30		BCEDMN
C#CC[C@@H](CO)NCc1c(C)nn(C)c1Cl	ZINC000717785964	712676921	/nfs/dbraw/zinc/67/69/21/712676921.db2.gz	HDGBQKQMOVMDQX-VIFPVBQESA-N	0	1	241.722	0.856	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cncnc1	ZINC000717785747	712676994	/nfs/dbraw/zinc/67/69/94/712676994.db2.gz	FEIVLEZCMFXZQZ-NSHDSACASA-N	0	1	205.261	0.341	20	30		BCEDMN
CC#CC[C@@H](CO)N[C@@H](C)c1cnccn1	ZINC000717813193	712681006	/nfs/dbraw/zinc/68/10/06/712681006.db2.gz	HNZMVOPGQGVLDQ-QWRGUYRKSA-N	0	1	219.288	0.902	20	30		BCEDMN
N#C[C@@H]1CCCN(C[C@H]2CNC(=O)C2)C1	ZINC000932154973	712716482	/nfs/dbraw/zinc/71/64/82/712716482.db2.gz	UGOINCMNVVMPHD-VHSXEESVSA-N	0	1	207.277	0.358	20	30		BCEDMN
CS(=O)(=O)CCNCc1cccc(C#N)c1	ZINC000037740441	712753188	/nfs/dbraw/zinc/75/31/88/712753188.db2.gz	DFPFLNGBJZTCSE-UHFFFAOYSA-N	0	1	238.312	0.692	20	30		BCEDMN
C[C@H]1CN(c2nccnc2C#N)[C@@H](C)CN1C	ZINC001164630591	719153718	/nfs/dbraw/zinc/15/37/18/719153718.db2.gz	JKZCOUTVCKKMGY-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(c2cncc(C#N)n2)[C@@H](C)CN1C	ZINC000591460055	719168246	/nfs/dbraw/zinc/16/82/46/719168246.db2.gz	DJEUFRSEWAFRFZ-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]21	ZINC000301686777	719367359	/nfs/dbraw/zinc/36/73/59/719367359.db2.gz	XFLAXDHCXIBSJS-VXGBXAGGSA-N	0	1	244.298	0.472	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)N(C)C	ZINC000602070841	349439332	/nfs/dbraw/zinc/43/93/32/349439332.db2.gz	HYTULMPGSDEVTE-VHSXEESVSA-N	0	1	211.309	0.945	20	30		BCEDMN
C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)N(C)C	ZINC000602114306	349445105	/nfs/dbraw/zinc/44/51/05/349445105.db2.gz	CGMWNUNTABRABI-RKDXNWHRSA-N	0	1	211.309	0.991	20	30		BCEDMN
C[C@H](C#N)N(C(=O)CCCc1nn[nH]n1)C1CC1	ZINC000602178456	349461789	/nfs/dbraw/zinc/46/17/89/349461789.db2.gz	KHPQHSVXKZLTTM-MRVPVSSYSA-N	0	1	248.290	0.425	20	30		BCEDMN
COCCN(CC#N)C(=O)[C@@H]1CCCCN1C	ZINC000602158692	349465366	/nfs/dbraw/zinc/46/53/66/349465366.db2.gz	PSZYEKZCCPZLLL-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
N#C[C@@H](CO)NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000602159226	349465412	/nfs/dbraw/zinc/46/54/12/349465412.db2.gz	QUBRAPGGHAQMQV-ONGXEEELSA-N	0	1	237.303	0.004	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@@H](C)CN1CCOCC1	ZINC000270919558	398143329	/nfs/dbraw/zinc/14/33/29/398143329.db2.gz	IVQJSCQVDFTWFT-VIFPVBQESA-N	0	1	246.738	0.823	20	30		BCEDMN
C#CCN1CCC(CC(=O)N(C)C)CC1	ZINC000272686483	398147974	/nfs/dbraw/zinc/14/79/74/398147974.db2.gz	DERMWZLUEBNMRP-UHFFFAOYSA-N	0	1	208.305	0.810	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](O)CCOCC	ZINC000277879146	398154334	/nfs/dbraw/zinc/15/43/34/398154334.db2.gz	YZYBDXKJYMMIDP-LBPRGKRZSA-N	0	1	209.289	0.342	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)[C@@H](C)OC)nn1	ZINC000424290914	398180304	/nfs/dbraw/zinc/18/03/04/398180304.db2.gz	CMWFRHRZFAYXHE-VHSXEESVSA-N	0	1	224.308	0.977	20	30		BCEDMN
CC#CCN(C)CCN1C[C@H]2CC[C@@H](C1)O2	ZINC000339752122	398163005	/nfs/dbraw/zinc/16/30/05/398163005.db2.gz	KBAOMUKDHPEPHX-BETUJISGSA-N	0	1	222.332	0.805	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000301046439	349538124	/nfs/dbraw/zinc/53/81/24/349538124.db2.gz	OTYNNARIFLTAHZ-OUAUKWLOSA-N	0	1	226.320	0.738	20	30		BCEDMN
CC#CCN(C)C(=O)CSc1nnc(C)[nH]1	ZINC000294403092	398261868	/nfs/dbraw/zinc/26/18/68/398261868.db2.gz	DQZJHLAJBCIJMH-UHFFFAOYSA-N	0	1	238.316	0.687	20	30		BCEDMN
CC#CCN(C)C(=O)CSc1nc(C)n[nH]1	ZINC000294403092	398261873	/nfs/dbraw/zinc/26/18/73/398261873.db2.gz	DQZJHLAJBCIJMH-UHFFFAOYSA-N	0	1	238.316	0.687	20	30		BCEDMN
CNC(=O)N1CCN(C[C@@H](C)CCC#N)CC1	ZINC000602478438	349564231	/nfs/dbraw/zinc/56/42/31/349564231.db2.gz	YEWLKUVGQBGWFG-NSHDSACASA-N	0	1	238.335	0.883	20	30		BCEDMN
CCN(CCO)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000346241951	136233840	/nfs/dbraw/zinc/23/38/40/136233840.db2.gz	OABYQGFDLBBEKT-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
CCCNC(=O)CCNCc1cccc(C#N)n1	ZINC000602518180	349573841	/nfs/dbraw/zinc/57/38/41/349573841.db2.gz	LPNWVRKDLCDNLT-UHFFFAOYSA-N	0	1	246.314	0.959	20	30		BCEDMN
N#CC1(C(=O)NC[C@@H]2COCCN2)CCCC1	ZINC000602551952	349593899	/nfs/dbraw/zinc/59/38/99/349593899.db2.gz	PVMLESSRGAKPPX-SNVBAGLBSA-N	0	1	237.303	0.175	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CCO[C@@H](C#N)C1	ZINC000259869803	349608671	/nfs/dbraw/zinc/60/86/71/349608671.db2.gz	JGMQLAHRVWTDHK-QWRGUYRKSA-N	0	1	237.303	0.222	20	30		BCEDMN
C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)C(=O)[O-])C1=O	ZINC000650517723	398279119	/nfs/dbraw/zinc/27/91/19/398279119.db2.gz	VJRZRABVZIIGHZ-ZJUUUORDSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@H]([N@H+](C)[C@H](CC)C(=O)[O-])C1=O	ZINC000650517723	398279123	/nfs/dbraw/zinc/27/91/23/398279123.db2.gz	VJRZRABVZIIGHZ-ZJUUUORDSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000583331818	342735322	/nfs/dbraw/zinc/73/53/22/342735322.db2.gz	OUTZKZDZMGGNBT-QWRGUYRKSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN(C)C1CCC1	ZINC000629988906	361873442	/nfs/dbraw/zinc/87/34/42/361873442.db2.gz	JPVRGPJKLWCLTN-SNVBAGLBSA-N	0	1	226.320	0.524	20	30		BCEDMN
Cc1nnc(NC(=O)Cc2cc[nH]n2)[nH]1	ZINC000091437408	398292947	/nfs/dbraw/zinc/29/29/47/398292947.db2.gz	QURYNLHWJLUHTK-UHFFFAOYSA-N	0	1	206.209	0.667	20	30		BCEDMN
C=CCOCCNCc1cc(C(=O)OC)no1	ZINC000602606292	349628330	/nfs/dbraw/zinc/62/83/30/349628330.db2.gz	OLBQMYIGSFPANQ-UHFFFAOYSA-N	0	1	240.259	0.753	20	30		BCEDMN
CC[C@H](CC#N)N[C@@H](C)Cn1cncn1	ZINC000602611432	349634700	/nfs/dbraw/zinc/63/47/00/349634700.db2.gz	LMFKFDJOEVJEOR-VHSXEESVSA-N	0	1	207.281	0.948	20	30		BCEDMN
CC1(N2CCOCC2)CCN(CC#N)CC1	ZINC000527535428	262863081	/nfs/dbraw/zinc/86/30/81/262863081.db2.gz	LYDGXPYXKUJYKO-UHFFFAOYSA-N	0	1	223.320	0.697	20	30		BCEDMN
CO[C@H](CNCC1(C#N)CC1)[C@H]1CCOC1	ZINC000602643755	349656224	/nfs/dbraw/zinc/65/62/24/349656224.db2.gz	STALTSDGBHIBAR-WDEREUQCSA-N	0	1	224.304	0.931	20	30		BCEDMN
C[C@H](CO)N(C)Cc1cccc(C#N)n1	ZINC000602661927	349682397	/nfs/dbraw/zinc/68/23/97/349682397.db2.gz	JBPSIPCWDPIMAZ-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@@H](CC1(C#N)CCOCC1)NCc1cn[nH]n1	ZINC000602713468	349705443	/nfs/dbraw/zinc/70/54/43/349705443.db2.gz	BPINCMCHBMSSPC-JTQLQIEISA-N	0	1	249.318	0.993	20	30		BCEDMN
C[C@H](CCC#N)CN1CCO[C@H](CC(N)=O)C1	ZINC000602726202	349715954	/nfs/dbraw/zinc/71/59/54/349715954.db2.gz	WGVHRUJJZIWHGD-GHMZBOCLSA-N	0	1	239.319	0.502	20	30		BCEDMN
N#CCC1(CN2CCn3c(=O)[nH]nc3C2)CC1	ZINC000602809829	349754489	/nfs/dbraw/zinc/75/44/89/349754489.db2.gz	QMLZBMLCBWQFRE-UHFFFAOYSA-N	0	1	233.275	0.493	20	30		BCEDMN
C[C@@H](CC#N)NC[C@H](O)Cn1cccn1	ZINC000602861943	349773770	/nfs/dbraw/zinc/77/37/70/349773770.db2.gz	JTQPQIVOWFYRFH-UWVGGRQHSA-N	0	1	208.265	0.136	20	30		BCEDMN
Cc1nc(CN2CCN(CCC#N)CC2)n[nH]1	ZINC000602879697	349791234	/nfs/dbraw/zinc/79/12/34/349791234.db2.gz	KIMJEOVKXADGRT-UHFFFAOYSA-N	0	1	234.307	0.144	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000352538966	136263989	/nfs/dbraw/zinc/26/39/89/136263989.db2.gz	RJUQXUKUBYTQKB-ZETCQYMHSA-N	0	1	244.320	0.670	20	30		BCEDMN
C[C@@H]1CN(CCc2cn[nH]c2)C[C@@H](C)N1CC#N	ZINC000602849712	349785063	/nfs/dbraw/zinc/78/50/63/349785063.db2.gz	MSRZGJTZHYHPAA-VXGBXAGGSA-N	0	1	247.346	0.870	20	30		BCEDMN
C=CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000359917479	136267849	/nfs/dbraw/zinc/26/78/49/136267849.db2.gz	NDYIIFLRVJEWMD-SECBINFHSA-N	0	1	246.226	0.899	20	30		BCEDMN
CC(C)OC[C@@H](O)CN[C@@H](C)CC#N	ZINC000602864554	349796882	/nfs/dbraw/zinc/79/68/82/349796882.db2.gz	RXAWTIZMZYWRHE-UWVGGRQHSA-N	0	1	200.282	0.664	20	30		BCEDMN
CCOCC[C@@H](O)CN[C@@H](C)CC#N	ZINC000602868423	349798951	/nfs/dbraw/zinc/79/89/51/349798951.db2.gz	BGZKADFQWPEOPS-VHSXEESVSA-N	0	1	200.282	0.666	20	30		BCEDMN
Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)CC#N	ZINC000602868887	349800028	/nfs/dbraw/zinc/80/00/28/349800028.db2.gz	DVDSUUGJDQBDSA-QMMMGPOBSA-N	0	1	237.263	0.992	20	30		BCEDMN
C[C@@H](CC#N)NCCC(=O)N(C)CCC#N	ZINC000602869252	349800049	/nfs/dbraw/zinc/80/00/49/349800049.db2.gz	NATAHHFQRSVMPL-JTQLQIEISA-N	0	1	222.292	0.640	20	30		BCEDMN
COC[C@H](C)OC[C@@H](O)CN[C@H](C)CC#N	ZINC000602871462	349802680	/nfs/dbraw/zinc/80/26/80/349802680.db2.gz	RUTOPWLHTLJXLF-VWYCJHECSA-N	0	1	230.308	0.291	20	30		BCEDMN
C=CCOCCN1C[C@@H](C)O[C@H](COC)C1	ZINC000339112355	136280279	/nfs/dbraw/zinc/28/02/79/136280279.db2.gz	MZQQVPUTMYMECO-NEPJUHHUSA-N	0	1	229.320	0.925	20	30		BCEDMN
C[C@H](CC#N)NC[C@@H]1CCc2ncnn21	ZINC000602871838	349803372	/nfs/dbraw/zinc/80/33/72/349803372.db2.gz	YBPSJDRRGQHPRD-BDAKNGLRSA-N	0	1	205.265	0.657	20	30		BCEDMN
COC(=O)[C@]1(NC(=O)C(C)C#N)CCSC1	ZINC000340405715	136289238	/nfs/dbraw/zinc/28/92/38/136289238.db2.gz	KZUQNMYKIROONO-XCBNKYQSSA-N	0	1	242.300	0.311	20	30		BCEDMN
CC1(C#N)CN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000280571049	136285908	/nfs/dbraw/zinc/28/59/08/136285908.db2.gz	WBNFGVLBNWXGQT-UHFFFAOYSA-N	0	1	241.254	0.944	20	30		BCEDMN
C=CCOCCCN(C)CC(=O)N(C)C	ZINC000347961096	136293331	/nfs/dbraw/zinc/29/33/31/136293331.db2.gz	GMSOCDQIYSXFPV-UHFFFAOYSA-N	0	1	214.309	0.599	20	30		BCEDMN
C[N@@H+](CC1(CC#N)CC1)[C@H]1C[C@@H](C(N)=O)C1	ZINC000602916050	349808691	/nfs/dbraw/zinc/80/86/91/349808691.db2.gz	PWJWGEMQMPORQD-AOOOYVTPSA-N	0	1	221.304	0.876	20	30		BCEDMN
C=C[C@@H](CO)Nc1ncnc2[nH]cnc21	ZINC000308945354	346941688	/nfs/dbraw/zinc/94/16/88/346941688.db2.gz	RYZVGOADBHZYKM-LURJTMIESA-N	0	1	205.221	0.312	20	30		BCEDMN
O=C(NCc1nnc[nH]1)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000329390513	136365436	/nfs/dbraw/zinc/36/54/36/136365436.db2.gz	SGKOYXADLJVKTM-ZQARSLAVSA-N	0	1	222.248	0.686	20	30		BCEDMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC1	ZINC000329426918	136365442	/nfs/dbraw/zinc/36/54/42/136365442.db2.gz	JHSHGZRKDHGAJI-MRVPVSSYSA-N	0	1	221.264	0.213	20	30		BCEDMN
C[C@@H](O)C[N@H+]1CCN(CCCC#N)[C@@H](C)C1	ZINC000189556736	136372270	/nfs/dbraw/zinc/37/22/70/136372270.db2.gz	VETYFPUCVFWGLS-NWDGAFQWSA-N	0	1	225.336	0.677	20	30		BCEDMN
CC(C)[N@H+]1CC[C@@H](Nc2ncncc2C#N)C1	ZINC000389216721	343520231	/nfs/dbraw/zinc/52/02/31/343520231.db2.gz	DCRKXGOCHMZYKG-LLVKDONJSA-N	0	1	231.303	0.665	20	30		BCEDMN
CN1CCN(CCNc2ncncc2C#N)CC1	ZINC000310629361	343548913	/nfs/dbraw/zinc/54/89/13/343548913.db2.gz	HNPPKACTDOCPOB-UHFFFAOYSA-N	0	1	246.318	0.008	20	30		BCEDMN
C=CCCOCC(=O)N(C)CC1CN(C)C1	ZINC000618194997	343618896	/nfs/dbraw/zinc/61/88/96/343618896.db2.gz	QTABXBORCOIJDE-UHFFFAOYSA-N	0	1	226.320	0.599	20	30		BCEDMN
CO[C@H]1C[N@@H+](CCOCCC#N)[C@](C)(CO)C1	ZINC000602963799	349826131	/nfs/dbraw/zinc/82/61/31/349826131.db2.gz	IPLATKFCDYXLTD-NEPJUHHUSA-N	0	1	242.319	0.388	20	30		BCEDMN
CN(CCC(=O)NC(N)=O)[C@H]1CCC[C@H]1C#N	ZINC000602976974	349842297	/nfs/dbraw/zinc/84/22/97/349842297.db2.gz	VXEGJABSQKJYSE-IUCAKERBSA-N	0	1	238.291	0.195	20	30		BCEDMN
C[C@H]1CO[C@@H](CO)CN1CCCCC#N	ZINC000088092317	343704819	/nfs/dbraw/zinc/70/48/19/343704819.db2.gz	KFCSHAYQKZSWDT-WDEREUQCSA-N	0	1	212.293	0.762	20	30		BCEDMN
CN(C[C@H](O)Cn1cccn1)[C@@H]1CCC[C@@H]1C#N	ZINC000602975994	349840605	/nfs/dbraw/zinc/84/06/05/349840605.db2.gz	JNDGSFLCPQWPQF-FRRDWIJNSA-N	0	1	248.330	0.868	20	30		BCEDMN
COC[C@@H](O)CN(C)[C@H]1CCC[C@H]1C#N	ZINC000602980290	349845403	/nfs/dbraw/zinc/84/54/03/349845403.db2.gz	OGERUGOISBODGK-DCAQKATOSA-N	0	1	212.293	0.618	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H](C)N1CC#N	ZINC000603104643	349870698	/nfs/dbraw/zinc/87/06/98/349870698.db2.gz	FWCWRZQCKRBAKJ-AOOOYVTPSA-N	0	1	247.302	0.468	20	30		BCEDMN
C[C@H](CN(C)C(=O)CC1(C#N)CC1)c1nn[nH]n1	ZINC000590327175	346993290	/nfs/dbraw/zinc/99/32/90/346993290.db2.gz	LGLSCEBEJXNVDI-MRVPVSSYSA-N	0	1	248.290	0.455	20	30		BCEDMN
Cn1cc(CN[C@H]2CCCN(C)C2=O)cc1C#N	ZINC000334191339	343833764	/nfs/dbraw/zinc/83/37/64/343833764.db2.gz	OGHVHQAKSRYMNT-LBPRGKRZSA-N	0	1	246.314	0.607	20	30		BCEDMN
C[C@H](NC(=O)NCCN1CCC1)[C@H]1CCCO1	ZINC000328636763	537836065	/nfs/dbraw/zinc/83/60/65/537836065.db2.gz	AKYCABCZBBYSQN-WDEREUQCSA-N	0	1	241.335	0.763	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCCN1CC[C@@H](O)C1	ZINC000600530540	344258950	/nfs/dbraw/zinc/25/89/50/344258950.db2.gz	CTJUIMNPOOFUBZ-PWSUYJOCSA-N	0	1	239.319	0.109	20	30		BCEDMN
C[C@@H](C#N)CNC[C@@H](O)CC1(C#N)CC1	ZINC000600727696	344363644	/nfs/dbraw/zinc/36/36/44/344363644.db2.gz	QHVQVMIJIJHIPM-UWVGGRQHSA-N	0	1	207.277	0.790	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2CCC(=O)NC2)o1	ZINC000135484930	344473564	/nfs/dbraw/zinc/47/35/64/344473564.db2.gz	NKOAACJKPIRWQF-QMMMGPOBSA-N	0	1	219.244	0.519	20	30		BCEDMN
C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)N(C)C	ZINC000085431533	344532248	/nfs/dbraw/zinc/53/22/48/344532248.db2.gz	CGMWNUNTABRABI-IUCAKERBSA-N	0	1	211.309	0.991	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N[C@@H]1CCCN(C)C1	ZINC000044824035	344551223	/nfs/dbraw/zinc/55/12/23/344551223.db2.gz	JEPNYOCMAZLNOY-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@@H](C#N)C[N@@H+](C)CC[C@@H]1CCNC1=O	ZINC000395855348	344566302	/nfs/dbraw/zinc/56/63/02/344566302.db2.gz	OSWIRTWJGORFOO-UWVGGRQHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@@H](C#N)CN(C)CC[C@@H]1CCNC1=O	ZINC000395855348	344566305	/nfs/dbraw/zinc/56/63/05/344566305.db2.gz	OSWIRTWJGORFOO-UWVGGRQHSA-N	0	1	209.293	0.604	20	30		BCEDMN
Cn1cc(-c2csc(NC(=N)N)n2)cn1	ZINC000153516286	344893909	/nfs/dbraw/zinc/89/39/09/344893909.db2.gz	DTNLSZJRHYNKMO-UHFFFAOYSA-N	0	1	222.277	0.449	20	30		BCEDMN
C#CCN(CCC(=O)OC)C[C@H]1CCCO1	ZINC000113200376	323081055	/nfs/dbraw/zinc/08/10/55/323081055.db2.gz	AIUBTRJJWHBUFU-LLVKDONJSA-N	0	1	225.288	0.664	20	30		BCEDMN
C=CCNC(=O)C(C)(C)CN1CCOCC1	ZINC000635069475	345239600	/nfs/dbraw/zinc/23/96/00/345239600.db2.gz	MWWZWRICKGOXAN-UHFFFAOYSA-N	0	1	226.320	0.647	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3cnccc3C#N)C[C@@H]21	ZINC000091741755	345604858	/nfs/dbraw/zinc/60/48/58/345604858.db2.gz	LPYRPAKPCJNLNY-QWHCGFSZSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCN(CCNc2cc(C#N)ncn2)CC1	ZINC000310763587	259384653	/nfs/dbraw/zinc/38/46/53/259384653.db2.gz	LAMZPTXRGKBSCV-UHFFFAOYSA-N	0	1	246.318	0.008	20	30		BCEDMN
C#CCNC(=O)C1(N2CCN(C)CC2)CCCC1	ZINC000363580673	345800012	/nfs/dbraw/zinc/80/00/12/345800012.db2.gz	APEASIZTZAEZEA-UHFFFAOYSA-N	0	1	249.358	0.296	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)Cc1ncn[nH]1	ZINC000600999822	345967434	/nfs/dbraw/zinc/96/74/34/345967434.db2.gz	HOMHOXFUJKHRJZ-QMMMGPOBSA-N	0	1	221.264	0.355	20	30		BCEDMN
C=C[C@@H](C)NC(=O)CCCc1nn[nH]n1	ZINC000635673320	345971433	/nfs/dbraw/zinc/97/14/33/345971433.db2.gz	GKMDWQZZVNJTNE-SSDOTTSWSA-N	0	1	209.253	0.213	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)Cc1nnc[nH]1	ZINC000601025252	345999985	/nfs/dbraw/zinc/99/99/85/345999985.db2.gz	AGPUSWGWPYLUGG-VIFPVBQESA-N	0	1	207.237	0.156	20	30		BCEDMN
C[C@@H](CCC#N)N1CCN2CCOC[C@H]2C1	ZINC000563221021	323104571	/nfs/dbraw/zinc/10/45/71/323104571.db2.gz	QLDPUZZABBKWQK-NWDGAFQWSA-N	0	1	223.320	0.695	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@@H]1CCCCN1C	ZINC000635764713	346057359	/nfs/dbraw/zinc/05/73/59/346057359.db2.gz	AUFOADIZAWXMGU-RYUDHWBXSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@@H](C)N(C)C	ZINC000635767763	346058333	/nfs/dbraw/zinc/05/83/33/346058333.db2.gz	XZYDIFMDYZREGD-ZJUUUORDSA-N	0	1	214.309	0.237	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@@H](C)N(C)C	ZINC000635847220	346088949	/nfs/dbraw/zinc/08/89/49/346088949.db2.gz	UEMXHQNEGWVQGE-SNVBAGLBSA-N	0	1	214.309	0.598	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635991167	346142014	/nfs/dbraw/zinc/14/20/14/346142014.db2.gz	GCFRQXSPWCMFAK-BFLSOPEQSA-N	0	1	247.298	0.973	20	30		BCEDMN
C=CC[C@H](CO)NCc1nccnc1OC	ZINC000641753096	362678121	/nfs/dbraw/zinc/67/81/21/362678121.db2.gz	ZMZKJTWKCSCBMA-SECBINFHSA-N	0	1	223.276	0.512	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccnn1CC	ZINC000641767266	362700835	/nfs/dbraw/zinc/70/08/35/362700835.db2.gz	HZKKXYCNNAYGIR-NSHDSACASA-N	0	1	221.304	0.767	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc(CC)nc1	ZINC000641767512	362702478	/nfs/dbraw/zinc/70/24/78/362702478.db2.gz	LLZOUIAFHQUXKS-LBPRGKRZSA-N	0	1	233.315	0.903	20	30		BCEDMN
CC[C@H](CC#N)NCCCS(=O)(=O)N(C)C	ZINC000577121618	365826006	/nfs/dbraw/zinc/82/60/06/365826006.db2.gz	GQPLXVRATUHJQF-SNVBAGLBSA-N	0	1	247.364	0.550	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H]2CCC[C@@H]21	ZINC000491122077	346587386	/nfs/dbraw/zinc/58/73/86/346587386.db2.gz	SXWNFICGSMOFTP-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)[NH+](C)C	ZINC000589168389	346671578	/nfs/dbraw/zinc/67/15/78/346671578.db2.gz	AQKAKQDEYSEALX-SECBINFHSA-N	0	1	247.298	0.944	20	30		BCEDMN
C=CCn1cc(CNCC2(O)CCC2)nn1	ZINC000580183615	346628509	/nfs/dbraw/zinc/62/85/09/346628509.db2.gz	KMOOAZWILROCDS-UHFFFAOYSA-N	0	1	222.292	0.469	20	30		BCEDMN
CN1CCCN(C(=O)c2cccc(C#N)n2)CC1	ZINC000589610584	346719893	/nfs/dbraw/zinc/71/98/93/346719893.db2.gz	GFUVRFVLMNZJAP-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000621991265	370647855	/nfs/dbraw/zinc/64/78/55/370647855.db2.gz	MFEFDDNIEXRACM-VIFPVBQESA-N	0	1	237.303	0.741	20	30		BCEDMN
C[C@@H](NC(=O)c1cccc(C#N)n1)c1nnc[nH]1	ZINC000589437717	346700194	/nfs/dbraw/zinc/70/01/94/346700194.db2.gz	CAIRVCMAOTVHFJ-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
N#CC1(C(=O)NCc2c[nH]nn2)CC2(CC2)C1	ZINC000601274048	347134466	/nfs/dbraw/zinc/13/44/66/347134466.db2.gz	VWQBNWXXQPOBSF-UHFFFAOYSA-N	0	1	231.259	0.505	20	30		BCEDMN
C[C@@H]1C[N@H+](CCCC#N)CCN1CCO	ZINC000187716079	347263324	/nfs/dbraw/zinc/26/33/24/347263324.db2.gz	MMOAZQKSMCKUQQ-LLVKDONJSA-N	0	1	211.309	0.289	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000601432291	347352651	/nfs/dbraw/zinc/35/26/51/347352651.db2.gz	NQFQJWOVHMSGKJ-LBPRGKRZSA-N	0	1	247.302	0.890	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000601432291	347352654	/nfs/dbraw/zinc/35/26/54/347352654.db2.gz	NQFQJWOVHMSGKJ-LBPRGKRZSA-N	0	1	247.302	0.890	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)Cc1nnc[nH]1	ZINC000601444466	347363991	/nfs/dbraw/zinc/36/39/91/347363991.db2.gz	CPHFKEZRRVEBOS-SSDOTTSWSA-N	0	1	207.237	0.156	20	30		BCEDMN
N#CC1CN(C(=O)c2cccc3nn[nH]c32)C1	ZINC000590483210	347364988	/nfs/dbraw/zinc/36/49/88/347364988.db2.gz	AWKGUCWLSIFLJR-UHFFFAOYSA-N	0	1	227.227	0.553	20	30		BCEDMN
CCc1[nH]nc(C(=O)N2CC(C#N)C2)c1[N+](=O)[O-]	ZINC000590483909	347367932	/nfs/dbraw/zinc/36/79/32/347367932.db2.gz	WJIJUKFWKPYMDJ-UHFFFAOYSA-N	0	1	249.230	0.476	20	30		BCEDMN
N#CC1CN(C(=O)c2cc(F)cc3nn[nH]c32)C1	ZINC000590484220	347369627	/nfs/dbraw/zinc/36/96/27/347369627.db2.gz	RGELEFGFUKNLOJ-UHFFFAOYSA-N	0	1	245.217	0.693	20	30		BCEDMN
N#CC1CN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000590487366	347380522	/nfs/dbraw/zinc/38/05/22/347380522.db2.gz	BJXXXILBWYOUHY-UHFFFAOYSA-N	0	1	227.227	0.553	20	30		BCEDMN
Cc1nnc(SCC(=O)N2CC(C#N)C2)[nH]1	ZINC000590487755	347381157	/nfs/dbraw/zinc/38/11/57/347381157.db2.gz	DFRTXPZMMRONHG-UHFFFAOYSA-N	0	1	237.288	0.187	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N2CC(C#N)C2)n1	ZINC000590487755	347381160	/nfs/dbraw/zinc/38/11/60/347381160.db2.gz	DFRTXPZMMRONHG-UHFFFAOYSA-N	0	1	237.288	0.187	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](O)C(C)(C)C1	ZINC000380103419	365880823	/nfs/dbraw/zinc/88/08/23/365880823.db2.gz	XWPUHCGAKPWGPE-WDEREUQCSA-N	0	1	238.331	0.217	20	30		BCEDMN
CC(C)(C#N)CNC[C@@H](O)Cn1cccn1	ZINC000591758954	347692110	/nfs/dbraw/zinc/69/21/10/347692110.db2.gz	CAFOIFFRRTVBTG-SNVBAGLBSA-N	0	1	222.292	0.383	20	30		BCEDMN
CSC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759674	347692544	/nfs/dbraw/zinc/69/25/44/347692544.db2.gz	SWQNPQUQVPUAFZ-QMMMGPOBSA-N	0	1	202.323	0.850	20	30		BCEDMN
CCOC(=O)CC[C@@H](O)CNCC(C)(C)C#N	ZINC000591759617	347692575	/nfs/dbraw/zinc/69/25/75/347692575.db2.gz	PZQNTHVBSAONQS-SNVBAGLBSA-N	0	1	242.319	0.830	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(CC[C@H](C)O)CC1	ZINC000591845737	347706287	/nfs/dbraw/zinc/70/62/87/347706287.db2.gz	SNOMPFRBYOVCHI-QWHCGFSZSA-N	0	1	239.363	0.923	20	30		BCEDMN
C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1cncc(C#N)n1	ZINC000591460070	347665677	/nfs/dbraw/zinc/66/56/77/347665677.db2.gz	LLJCFQCXBUOKHI-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1cncc(C#N)n1	ZINC000591460070	347665679	/nfs/dbraw/zinc/66/56/79/347665679.db2.gz	LLJCFQCXBUOKHI-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@](O)(CC#N)C1	ZINC000592150610	347742125	/nfs/dbraw/zinc/74/21/25/347742125.db2.gz	FBUOESLIQKJQQT-GHMZBOCLSA-N	0	1	210.277	0.274	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCOCC2CC2)C1	ZINC000592152187	347743075	/nfs/dbraw/zinc/74/30/75/347743075.db2.gz	VJTZNJFINXEPHE-LBPRGKRZSA-N	0	1	224.304	0.763	20	30		BCEDMN
N#CCC[C@H](C#N)CNCC1(CO)CC1	ZINC000592430470	347785817	/nfs/dbraw/zinc/78/58/17/347785817.db2.gz	RXNNRGPIHJGFJB-SNVBAGLBSA-N	0	1	207.277	0.792	20	30		BCEDMN
C[C@@H](CCC#N)N[C@@H](CO)c1ccnn1C	ZINC000593033098	347842647	/nfs/dbraw/zinc/84/26/47/347842647.db2.gz	ILHZGXZKDOZNIY-UWVGGRQHSA-N	0	1	222.292	0.735	20	30		BCEDMN
Cc1cncc(CCN2CC[C@@](O)(CC#N)C2)n1	ZINC000593034021	347842798	/nfs/dbraw/zinc/84/27/98/347842798.db2.gz	BJYWGRJVXQYJRR-ZDUSSCGKSA-N	0	1	246.314	0.678	20	30		BCEDMN
N#Cc1ccc(CN[C@@H](CO)CCF)o1	ZINC000593689271	347927796	/nfs/dbraw/zinc/92/77/96/347927796.db2.gz	NLDMJGKFQHBHKA-MRVPVSSYSA-N	0	1	212.224	0.961	20	30		BCEDMN
CCOC(=O)[C@@H]1CCCN1C(=O)C(C)C#N	ZINC000044827289	348023975	/nfs/dbraw/zinc/02/39/75/348023975.db2.gz	NCQPZPFWBOTPDZ-BDAKNGLRSA-N	0	1	224.260	0.700	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N2CC[C@@](F)(C#N)C2)C1	ZINC000594342879	348036769	/nfs/dbraw/zinc/03/67/69/348036769.db2.gz	MKXUKAPMRAZNKY-ZYHUDNBSSA-N	0	1	239.294	0.792	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N2CC[C@](F)(C#N)C2)C1	ZINC000594342878	348036919	/nfs/dbraw/zinc/03/69/19/348036919.db2.gz	MKXUKAPMRAZNKY-PWSUYJOCSA-N	0	1	239.294	0.792	20	30		BCEDMN
N#Cc1ccc(CCn2nnnc2CN)cc1	ZINC000594695830	348101028	/nfs/dbraw/zinc/10/10/28/348101028.db2.gz	JPOHYCBWZPUPBC-UHFFFAOYSA-N	0	1	228.259	0.246	20	30		BCEDMN
CCNCc1cn(CCn2cc(C#N)cn2)nn1	ZINC000594645879	348087059	/nfs/dbraw/zinc/08/70/59/348087059.db2.gz	RQRYXNHLWLBOFP-UHFFFAOYSA-N	0	1	245.290	0.156	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C[C@@H]1CNC(=O)C1	ZINC000595297687	348216828	/nfs/dbraw/zinc/21/68/28/348216828.db2.gz	JGENPJQCBBEZQV-UWVGGRQHSA-N	0	1	209.293	0.604	20	30		BCEDMN
C=CCCS(=O)(=O)NCCN(C)C1CC1	ZINC000360170102	166291179	/nfs/dbraw/zinc/29/11/79/166291179.db2.gz	WRXFDIRQSKTOMU-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N(C)Cc1cnc[nH]1	ZINC000595591111	348277645	/nfs/dbraw/zinc/27/76/45/348277645.db2.gz	DFKUUJXRYIJVNA-VIFPVBQESA-N	0	1	209.249	0.569	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@@H]2CCNC2=O)C1	ZINC000595613449	348288206	/nfs/dbraw/zinc/28/82/06/348288206.db2.gz	DDWBYZKGYNBUSY-VHSXEESVSA-N	0	1	207.277	0.501	20	30		BCEDMN
COC[C@@H](NCCC#N)C1CCOCC1	ZINC000595616198	348288885	/nfs/dbraw/zinc/28/88/85/348288885.db2.gz	QQNKAJSAKKNDDP-LLVKDONJSA-N	0	1	212.293	0.931	20	30		BCEDMN
N#CC[C@H]1CCCN([C@H]2CCCNC2=O)C1	ZINC000595621444	348291072	/nfs/dbraw/zinc/29/10/72/348291072.db2.gz	VARJGIKMWZYKJM-MNOVXSKESA-N	0	1	221.304	0.891	20	30		BCEDMN
C=C(C)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000419325725	192122742	/nfs/dbraw/zinc/12/27/42/192122742.db2.gz	LMSSAQCLUDDGQQ-NEPJUHHUSA-N	0	1	212.337	0.949	20	30		BCEDMN
N#CCC[C@@H](C#N)CNCCn1ccnc1	ZINC000563880933	323182811	/nfs/dbraw/zinc/18/28/11/323182811.db2.gz	DFCJTSKZAOXJRD-NSHDSACASA-N	0	1	217.276	0.916	20	30		BCEDMN
CCC#C[C@H](C)N[C@@H]1CCO[C@@H]1C(=O)OC	ZINC000595665203	348302107	/nfs/dbraw/zinc/30/21/07/348302107.db2.gz	UVWRTNBQDCQGPV-AXFHLTTASA-N	0	1	225.288	0.708	20	30		BCEDMN
N#CC1(NC(=O)CN2CC[C@@H]3C[C@@H]3C2)CCC1	ZINC000595809104	348349343	/nfs/dbraw/zinc/34/93/43/348349343.db2.gz	GKSBXPJHBCWHTB-GHMZBOCLSA-N	0	1	233.315	0.891	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@H](CCF)C1	ZINC000595754365	348342213	/nfs/dbraw/zinc/34/22/13/348342213.db2.gz	AJSSBEYINIMDQJ-SNVBAGLBSA-N	0	1	227.283	0.698	20	30		BCEDMN
C[C@@]1(C#N)CCN(CCCC(=O)NC(N)=O)C1	ZINC000595839044	348372344	/nfs/dbraw/zinc/37/23/44/348372344.db2.gz	GTJPIJPLKQGSBA-NSHDSACASA-N	0	1	238.291	0.197	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCC[C@@H]1C(=O)OC	ZINC000268664128	166297908	/nfs/dbraw/zinc/29/79/08/166297908.db2.gz	RVDYBVFJBBLASR-GHMZBOCLSA-N	0	1	227.304	0.951	20	30		BCEDMN
C[C@]1(C#N)CCN(CC2(O)CCOCC2)C1	ZINC000595840492	348374629	/nfs/dbraw/zinc/37/46/29/348374629.db2.gz	OPARGYKGPWLPJE-LLVKDONJSA-N	0	1	224.304	0.763	20	30		BCEDMN
CN(CCC#N)C(=O)CCN1CC[C@](C)(C#N)C1	ZINC000595845055	348354353	/nfs/dbraw/zinc/35/43/53/348354353.db2.gz	XVGJUPIDHPDEJC-CYBMUJFWSA-N	0	1	248.330	0.984	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCOCCC#N)C1	ZINC000595854868	348357075	/nfs/dbraw/zinc/35/70/75/348357075.db2.gz	ABXWUCJPTKSJGD-PHIMTYICSA-N	0	1	240.303	0.800	20	30		BCEDMN
C=CCCSCCNC(=O)[C@@H]1CNCCO1	ZINC000595940651	348409461	/nfs/dbraw/zinc/40/94/61/348409461.db2.gz	STMZMNBPWVXVIT-JTQLQIEISA-N	0	1	244.360	0.400	20	30		BCEDMN
Cn1ncc(C#N)c1N1CCN(C2CCC2)CC1	ZINC000596127170	348445967	/nfs/dbraw/zinc/44/59/67/348445967.db2.gz	UOLIYLYVSFMEIP-UHFFFAOYSA-N	0	1	245.330	0.966	20	30		BCEDMN
Cc1nnc(N(C)CC2CN(C)C2)c(C#N)c1C	ZINC000596453324	348551958	/nfs/dbraw/zinc/55/19/58/348551958.db2.gz	JECKAKUILTYRJN-UHFFFAOYSA-N	0	1	245.330	0.963	20	30		BCEDMN
CN(CC1CN(C)C1)c1ccnc(C#N)n1	ZINC000596454892	348551626	/nfs/dbraw/zinc/55/16/26/348551626.db2.gz	XKJJLPXKIDZLFG-UHFFFAOYSA-N	0	1	217.276	0.346	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)NCC(C)(C)C#N	ZINC000596549475	348585601	/nfs/dbraw/zinc/58/56/01/348585601.db2.gz	GMKCAWPVLQJXHH-UHFFFAOYSA-N	0	1	238.335	0.739	20	30		BCEDMN
C[C@H](C#N)CNC(=O)NCCCc1nc[nH]n1	ZINC000596551893	348587087	/nfs/dbraw/zinc/58/70/87/348587087.db2.gz	SBFVGQCYGKSBSA-MRVPVSSYSA-N	0	1	236.279	0.196	20	30		BCEDMN
CC[C@H](C#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597039140	348647437	/nfs/dbraw/zinc/64/74/37/348647437.db2.gz	JDHZVQKMMQNSCF-SFYZADRCSA-N	0	1	233.275	0.643	20	30		BCEDMN
CC[C@H](C#N)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000597040791	348648960	/nfs/dbraw/zinc/64/89/60/348648960.db2.gz	ZRBNIEQHQRPADO-DTWKUNHWSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000597040792	348649105	/nfs/dbraw/zinc/64/91/05/348649105.db2.gz	ZRBNIEQHQRPADO-IUCAKERBSA-N	0	1	232.287	0.933	20	30		BCEDMN
Cc1nc(CC(=O)N[C@H](C#N)CC(C)C)n[nH]1	ZINC000597075978	348652508	/nfs/dbraw/zinc/65/25/08/348652508.db2.gz	NHKBIOODDCLHMO-VIFPVBQESA-N	0	1	235.291	0.710	20	30		BCEDMN
CS(=O)(=O)CCCN[C@H]1CCC[C@@H]1C#N	ZINC000054825922	348665378	/nfs/dbraw/zinc/66/53/78/348665378.db2.gz	MVNPBILSMASSJT-ZJUUUORDSA-N	0	1	230.333	0.703	20	30		BCEDMN
Cc1nc(CC(=O)NC2(C#N)CCCC2)n[nH]1	ZINC000597156742	348665908	/nfs/dbraw/zinc/66/59/08/348665908.db2.gz	ARKAJYXYZNXONR-UHFFFAOYSA-N	0	1	233.275	0.608	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000597200892	348675175	/nfs/dbraw/zinc/67/51/75/348675175.db2.gz	JYFODANGBWFUGR-IUCAKERBSA-N	0	1	232.287	0.790	20	30		BCEDMN
C[C@@H](CC#N)C(=O)NCCN1CC=CCC1	ZINC000597602348	348767650	/nfs/dbraw/zinc/76/76/50/348767650.db2.gz	SHQCZWDTDBNQCH-NSHDSACASA-N	0	1	221.304	0.914	20	30		BCEDMN
C[C@H](CC#N)C(=O)NCCN1CC=CCC1	ZINC000597602347	348767672	/nfs/dbraw/zinc/76/76/72/348767672.db2.gz	SHQCZWDTDBNQCH-LLVKDONJSA-N	0	1	221.304	0.914	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCOCCN2)cc1O	ZINC000597706364	348786912	/nfs/dbraw/zinc/78/69/12/348786912.db2.gz	UIOMGLXLCBHPSI-UHFFFAOYSA-N	0	1	247.254	0.241	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)C1(N(C)C)CC1	ZINC000597506475	348746347	/nfs/dbraw/zinc/74/63/47/348746347.db2.gz	ATTCYSKCPMKUGI-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CCC2(CN(C)C2)C1	ZINC000597568221	348761048	/nfs/dbraw/zinc/76/10/48/348761048.db2.gz	OADGHCWKRIGDIE-SNVBAGLBSA-N	0	1	221.304	0.700	20	30		BCEDMN
CN(C)C1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000597793120	348818456	/nfs/dbraw/zinc/81/84/56/348818456.db2.gz	ILDFLMZAGFONDA-VHSXEESVSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CC#N)C1	ZINC000598022292	348861497	/nfs/dbraw/zinc/86/14/97/348861497.db2.gz	CQUYJKCLWZGMKU-LLVKDONJSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CC(CC#N)C1	ZINC000598022292	348861500	/nfs/dbraw/zinc/86/15/00/348861500.db2.gz	CQUYJKCLWZGMKU-LLVKDONJSA-N	0	1	221.304	0.843	20	30		BCEDMN
N#CCC1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C1	ZINC000598022288	348861550	/nfs/dbraw/zinc/86/15/50/348861550.db2.gz	CPHPEYLSVKTLMQ-LBPRGKRZSA-N	0	1	233.315	0.985	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)Cc1ccn[nH]1)C1CC1	ZINC000598128420	348894411	/nfs/dbraw/zinc/89/44/11/348894411.db2.gz	KVCMEOKHIVOLPQ-QMMMGPOBSA-N	0	1	218.260	0.855	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)CSCC#N	ZINC000598162496	348897484	/nfs/dbraw/zinc/89/74/84/348897484.db2.gz	IWMUQSWONOZHRH-UHFFFAOYSA-N	0	1	227.333	0.263	20	30		BCEDMN
CCN(C(=O)Cc1ccn[nH]1)[C@H](C)C#N	ZINC000598360939	348946312	/nfs/dbraw/zinc/94/63/12/348946312.db2.gz	YILVFVFHDCNWRM-MRVPVSSYSA-N	0	1	206.249	0.713	20	30		BCEDMN
CN(C)C(=O)CN(C)C[C@@H](O)CC(C)(C)C#N	ZINC000598586262	348995994	/nfs/dbraw/zinc/99/59/94/348995994.db2.gz	GHRZKVGXRLAHAH-JTQLQIEISA-N	0	1	241.335	0.307	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1CCNC(=O)CC1	ZINC000598591262	348997219	/nfs/dbraw/zinc/99/72/19/348997219.db2.gz	XUKLDGSVZRTJBN-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1CC[C@@](F)(CO)C1	ZINC000598614570	349000389	/nfs/dbraw/zinc/00/03/89/349000389.db2.gz	LPODDJNBYSSMJP-JQWIXIFHSA-N	0	1	244.310	0.693	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)Cc2ccn[nH]2)C1	ZINC000598411642	348966940	/nfs/dbraw/zinc/96/69/40/348966940.db2.gz	YUADDSZXLLDMFI-LLVKDONJSA-N	0	1	218.260	0.714	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)[O-]	ZINC000070618152	323204909	/nfs/dbraw/zinc/20/49/09/323204909.db2.gz	ZZBJRDKYTAAXIM-LLVKDONJSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)[O-]	ZINC000070618152	323204910	/nfs/dbraw/zinc/20/49/10/323204910.db2.gz	ZZBJRDKYTAAXIM-LLVKDONJSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=CCNC(=O)CN[C@](C)(CO)c1ccccc1	ZINC000599171233	349111066	/nfs/dbraw/zinc/11/10/66/349111066.db2.gz	CYEUPPUOYVBZJP-CQSZACIVSA-N	0	1	248.326	0.786	20	30		BCEDMN
Cc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1C#N	ZINC000599306943	349143288	/nfs/dbraw/zinc/14/32/88/349143288.db2.gz	GNEUNLCJWJLIDE-BETUJISGSA-N	0	1	232.283	0.404	20	30		BCEDMN
Cc1ccc(CN2C[C@@H](O)[C@H](CO)C2)cc1C#N	ZINC000599438578	349177642	/nfs/dbraw/zinc/17/76/42/349177642.db2.gz	PCIZNAYLLVAATH-UONOGXRCSA-N	0	1	246.310	0.652	20	30		BCEDMN
Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)cc1C#N	ZINC000599438576	349177758	/nfs/dbraw/zinc/17/77/58/349177758.db2.gz	PCIZNAYLLVAATH-KGLIPLIRSA-N	0	1	246.310	0.652	20	30		BCEDMN
C=CCN(CCC#N)C(=O)CCc1c[nH]nn1	ZINC000601591452	349304758	/nfs/dbraw/zinc/30/47/58/349304758.db2.gz	MFMSXYBPBXIYAO-UHFFFAOYSA-N	0	1	233.275	0.666	20	30		BCEDMN
C=CCN(CCC#N)C(=O)CCc1cnn[nH]1	ZINC000601591452	349304762	/nfs/dbraw/zinc/30/47/62/349304762.db2.gz	MFMSXYBPBXIYAO-UHFFFAOYSA-N	0	1	233.275	0.666	20	30		BCEDMN
C[C@H](CC#N)n1[nH]c([C@H]2CCOC2)cc1=O	ZINC000601934723	349388794	/nfs/dbraw/zinc/38/87/94/349388794.db2.gz	DJRBNQASMIBCAV-BDAKNGLRSA-N	0	1	221.260	0.913	20	30		BCEDMN
C[C@@H](CC#N)n1[nH]c([C@@H]2CCOC2)cc1=O	ZINC000601934724	349388841	/nfs/dbraw/zinc/38/88/41/349388841.db2.gz	DJRBNQASMIBCAV-DTWKUNHWSA-N	0	1	221.260	0.913	20	30		BCEDMN
COCCc1cc(=O)n(C[C@H](C)C#N)[nH]1	ZINC000601934711	349388920	/nfs/dbraw/zinc/38/89/20/349388920.db2.gz	OXNJXMUMJGQCQX-MRVPVSSYSA-N	0	1	209.249	0.771	20	30		BCEDMN
COC(=O)Cc1cc(=O)n(C[C@@H](C)C#N)[nH]1	ZINC000601935458	349389686	/nfs/dbraw/zinc/38/96/86/349389686.db2.gz	VFPHHMAUPYFLRK-ZETCQYMHSA-N	0	1	223.232	0.297	20	30		BCEDMN
COCCn1[nH]c(C)c(CCC#N)c1=O	ZINC000601940009	349391954	/nfs/dbraw/zinc/39/19/54/349391954.db2.gz	PZQMNJFMKVLEMR-VIFPVBQESA-N	0	1	209.249	0.771	20	30		BCEDMN
CCOC(=O)Cn1[nH]c(C)c(CCC#N)c1=O	ZINC000601953672	349398302	/nfs/dbraw/zinc/39/83/02/349398302.db2.gz	NDKYQSXHVKBRLC-SECBINFHSA-N	0	1	237.259	0.688	20	30		BCEDMN
Cc1[nH]n(CC(C)(C)O)c(=O)c1CCC#N	ZINC000601956020	349399417	/nfs/dbraw/zinc/39/94/17/349399417.db2.gz	VVXOSDOOGBWKLH-SECBINFHSA-N	0	1	223.276	0.895	20	30		BCEDMN
N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H]1O	ZINC000601969639	349407042	/nfs/dbraw/zinc/40/70/42/349407042.db2.gz	RKFVEDGDWQBTOH-VWYCJHECSA-N	0	1	207.277	0.933	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(C[C@H](C)C#N)c1=O	ZINC000601934597	349388112	/nfs/dbraw/zinc/38/81/12/349388112.db2.gz	LGGLDCOXLLQLPF-VXNVDRBHSA-N	0	1	237.259	0.543	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(C[C@@H](C)C#N)c1=O	ZINC000601934596	349388151	/nfs/dbraw/zinc/38/81/51/349388151.db2.gz	LGGLDCOXLLQLPF-IONNQARKSA-N	0	1	237.259	0.543	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCc2nc[nH]c2C1	ZINC000396945239	350005768	/nfs/dbraw/zinc/00/57/68/350005768.db2.gz	VOAXTSBYORGXGE-MRVPVSSYSA-N	0	1	218.260	0.844	20	30		BCEDMN
N#CCCOCCN1CCN(CCCF)CC1	ZINC000402248526	350089232	/nfs/dbraw/zinc/08/92/32/350089232.db2.gz	PFLBBWOTLCFTFW-UHFFFAOYSA-N	0	1	243.326	0.894	20	30		BCEDMN
Cc1nnc(NC(=O)c2ccc(C#N)[nH]2)[nH]1	ZINC000124961016	180014775	/nfs/dbraw/zinc/01/47/75/180014775.db2.gz	SCEDSQGNMCRXQL-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ccc(C#N)[nH]2)n1	ZINC000124961016	180014776	/nfs/dbraw/zinc/01/47/76/180014776.db2.gz	SCEDSQGNMCRXQL-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(CCCCO)CC1	ZINC000609484459	350174688	/nfs/dbraw/zinc/17/46/88/350174688.db2.gz	CFBYCEMHTZGXLF-CYBMUJFWSA-N	0	1	239.363	0.925	20	30		BCEDMN
C#CCN1CCCN(c2ncccn2)CC1	ZINC000365260648	350193183	/nfs/dbraw/zinc/19/31/83/350193183.db2.gz	SHSKSECOURKMTN-UHFFFAOYSA-N	0	1	216.288	0.622	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1cc(C#N)ncn1	ZINC000309294174	350268705	/nfs/dbraw/zinc/26/87/05/350268705.db2.gz	KJJOFDAURDOJIX-SECBINFHSA-N	0	1	217.276	0.489	20	30		BCEDMN
CC(C)(C#N)CCN1CC[C@@H](S(N)(=O)=O)C1	ZINC000336665142	350425549	/nfs/dbraw/zinc/42/55/49/350425549.db2.gz	FLBUNNBROQJJBQ-SECBINFHSA-N	0	1	245.348	0.289	20	30		BCEDMN
CC#CCN1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000336660704	350429001	/nfs/dbraw/zinc/42/90/01/350429001.db2.gz	BAHWIQUSQOPMFL-NSHDSACASA-N	0	1	244.360	0.271	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C[C@H](O)Cn1cccn1	ZINC000336702792	350459590	/nfs/dbraw/zinc/45/95/90/350459590.db2.gz	AJKJPJQGQFEONK-RYUDHWBXSA-N	0	1	236.319	0.726	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000337080035	350550236	/nfs/dbraw/zinc/55/02/36/350550236.db2.gz	VAIQEWFOGWYPFX-MRVPVSSYSA-N	0	1	235.287	0.565	20	30		BCEDMN
C=CC1CCN(CCNS(=O)(=O)CC)CC1	ZINC000111256290	191130255	/nfs/dbraw/zinc/13/02/55/191130255.db2.gz	WLTLLRYQMUZQOA-UHFFFAOYSA-N	0	1	246.376	0.824	20	30		BCEDMN
CN(C)c1ccncc1C(=O)NCC#N	ZINC000273534079	351535117	/nfs/dbraw/zinc/53/51/17/351535117.db2.gz	RULYOSIBISBAAP-UHFFFAOYSA-N	0	1	204.233	0.401	20	30		BCEDMN
CCc1cc(C(=O)N2CC(C)(C#N)C2)n[nH]1	ZINC000280590335	351851601	/nfs/dbraw/zinc/85/16/01/351851601.db2.gz	XPASPQZEBOPOQO-UHFFFAOYSA-N	0	1	218.260	0.958	20	30		BCEDMN
C=CC1CCN(C(=O)c2cnc(CN)nc2)CC1	ZINC000637993044	351870049	/nfs/dbraw/zinc/87/00/49/351870049.db2.gz	IRZZYQWNSXGEQS-UHFFFAOYSA-N	0	1	246.314	0.974	20	30		BCEDMN
C#CCN(CC#N)C(=O)CN1CCC(C)CC1	ZINC000282020137	351920889	/nfs/dbraw/zinc/92/08/89/351920889.db2.gz	PDJNWLXMJVIICP-UHFFFAOYSA-N	0	1	233.315	0.704	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@]1(C)CNCCO1	ZINC000638009797	351888375	/nfs/dbraw/zinc/88/83/75/351888375.db2.gz	OEFBNFFALJKJRW-KOLCDFICSA-N	0	1	212.293	0.446	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](CO)C[C@@H]1C	ZINC000288592117	352157264	/nfs/dbraw/zinc/15/72/64/352157264.db2.gz	DHEJTHLSOUCFRH-QWRGUYRKSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCCCNC(=O)NC[C@@H]1COCCN1	ZINC000627023595	363118289	/nfs/dbraw/zinc/11/82/89/363118289.db2.gz	YWIGSTANBGNMCP-SNVBAGLBSA-N	0	1	227.308	0.240	20	30		BCEDMN
C=C(C)CCN1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000334173163	352757964	/nfs/dbraw/zinc/75/79/64/352757964.db2.gz	ANEWFZBKLZAJFM-SECBINFHSA-N	0	1	223.276	0.189	20	30		BCEDMN
C=CCOCCCN1CCO[C@H]([C@H](C)O)C1	ZINC000412088736	191254918	/nfs/dbraw/zinc/25/49/18/191254918.db2.gz	OMTOKFWZRPAUAA-RYUDHWBXSA-N	0	1	229.320	0.661	20	30		BCEDMN
C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1	ZINC000334246960	352838231	/nfs/dbraw/zinc/83/82/31/352838231.db2.gz	VDBPHAABDILQRB-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000334246960	352838235	/nfs/dbraw/zinc/83/82/35/352838235.db2.gz	VDBPHAABDILQRB-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=C(C)CCN1CCN(S(C)(=O)=O)[C@@H](C)C1	ZINC000334269905	352906399	/nfs/dbraw/zinc/90/63/99/352906399.db2.gz	DQONLVVQMFNMHV-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C[N@H+]1CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C1	ZINC000334356008	352996294	/nfs/dbraw/zinc/99/62/94/352996294.db2.gz	LZUMVGXDBMWKFQ-VHSXEESVSA-N	0	1	223.320	0.993	20	30		BCEDMN
C=C(C)CCN1CCN(CC(N)=O)CC1	ZINC000274745614	188092620	/nfs/dbraw/zinc/09/26/20/188092620.db2.gz	GJFPITJSSNMUEO-UHFFFAOYSA-N	0	1	211.309	0.056	20	30		BCEDMN
CC#CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000278749824	188095218	/nfs/dbraw/zinc/09/52/18/188095218.db2.gz	FEDWWWMHRGCNAU-QWRGUYRKSA-N	0	1	208.305	0.951	20	30		BCEDMN
C#CCOc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1	ZINC000278407131	188095225	/nfs/dbraw/zinc/09/52/25/188095225.db2.gz	PEWACEBFBQZPSO-ZIAGYGMSSA-N	0	1	247.294	0.236	20	30		BCEDMN
C=CCNC(=O)CNc1nc(C(C)C)no1	ZINC000272009711	166370920	/nfs/dbraw/zinc/37/09/20/166370920.db2.gz	MNBPKMNEPLEKLR-UHFFFAOYSA-N	0	1	224.264	0.907	20	30		BCEDMN
CCc1nc([C@H](C)NC(=O)CC#N)n[nH]1	ZINC000331053794	353213992	/nfs/dbraw/zinc/21/39/92/353213992.db2.gz	NMACTDCMLIUVRJ-LURJTMIESA-N	0	1	207.237	0.458	20	30		BCEDMN
Cc1cc(C[C@H](C)NC(=O)CC#N)n[nH]1	ZINC000331066335	353214940	/nfs/dbraw/zinc/21/49/40/353214940.db2.gz	YISUJGAAPKRFMT-ZETCQYMHSA-N	0	1	206.249	0.679	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N(C)CCCO	ZINC000331281569	353233942	/nfs/dbraw/zinc/23/39/42/353233942.db2.gz	UXYKMDFJPJADDF-UHFFFAOYSA-N	0	1	226.280	0.446	20	30		BCEDMN
N#CCCNC(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC000331157876	353223885	/nfs/dbraw/zinc/22/38/85/353223885.db2.gz	QJCCKWJVWJWCMA-VIFPVBQESA-N	0	1	233.275	0.684	20	30		BCEDMN
CC#CCNC(=O)N(C)Cc1nnc[nH]1	ZINC000331231144	353226263	/nfs/dbraw/zinc/22/62/63/353226263.db2.gz	HRDKKQYKXTYGPF-UHFFFAOYSA-N	0	1	207.237	0.174	20	30		BCEDMN
C=C[C@@H](CO)NCc1cc(C(N)=O)cs1	ZINC000289988242	353287147	/nfs/dbraw/zinc/28/71/47/353287147.db2.gz	XJYUOXMGDFHIPW-QMMMGPOBSA-N	0	1	226.301	0.484	20	30		BCEDMN
C=C(C)CN1CCC[C@@H]1CS(N)(=O)=O	ZINC000074316215	353302576	/nfs/dbraw/zinc/30/25/76/353302576.db2.gz	CMUQDLCWAMLJPF-SECBINFHSA-N	0	1	218.322	0.315	20	30		BCEDMN
C=CCN1CC[C@H](N(C)CCn2ccnc2)C1=O	ZINC000281399183	353446105	/nfs/dbraw/zinc/44/61/05/353446105.db2.gz	QIBRHXCWHGPPRC-LBPRGKRZSA-N	0	1	248.330	0.602	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1=O	ZINC000280985343	353432649	/nfs/dbraw/zinc/43/26/49/353432649.db2.gz	ABBQMLLBXZQZNT-JTQLQIEISA-N	0	1	248.286	0.269	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCC(=O)OC)C1=O	ZINC000282024312	353461216	/nfs/dbraw/zinc/46/12/16/353461216.db2.gz	PMQWIFMTXZULJN-SNVBAGLBSA-N	0	1	240.303	0.268	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC(O)CC2)C1=O	ZINC000282075064	353462585	/nfs/dbraw/zinc/46/25/85/353462585.db2.gz	TWEMUTUGRQAEPJ-LLVKDONJSA-N	0	1	224.304	0.230	20	30		BCEDMN
C[C@@H]1CN(CCCSCC#N)C[C@H](CO)O1	ZINC000191787317	353511008	/nfs/dbraw/zinc/51/10/08/353511008.db2.gz	ZFTRATKODZGJSO-GHMZBOCLSA-N	0	1	244.360	0.715	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000284487009	353513499	/nfs/dbraw/zinc/51/34/99/353513499.db2.gz	CHLQDZCESAIZJL-DTWKUNHWSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000284487009	353513501	/nfs/dbraw/zinc/51/35/01/353513501.db2.gz	CHLQDZCESAIZJL-DTWKUNHWSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000284487003	353513644	/nfs/dbraw/zinc/51/36/44/353513644.db2.gz	CHLQDZCESAIZJL-BDAKNGLRSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000284487003	353513645	/nfs/dbraw/zinc/51/36/45/353513645.db2.gz	CHLQDZCESAIZJL-BDAKNGLRSA-N	0	1	234.303	0.990	20	30		BCEDMN
C=CC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284369123	353515686	/nfs/dbraw/zinc/51/56/86/353515686.db2.gz	UBFAMCVSYMQIHO-QMMMGPOBSA-N	0	1	209.249	0.728	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H](C)c1nnc[nH]1	ZINC000183200918	353519930	/nfs/dbraw/zinc/51/99/30/353519930.db2.gz	BCCQZVUSBGMHDZ-ZETCQYMHSA-N	0	1	230.293	0.361	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1CC[C@H](O)C1	ZINC000061708364	353523800	/nfs/dbraw/zinc/52/38/00/353523800.db2.gz	VVZGGWQGZWFWND-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
C#CCCN1CCN([C@@H](C)c2nncn2C)CC1	ZINC000287745928	353586163	/nfs/dbraw/zinc/58/61/63/353586163.db2.gz	LIKJDEPQSGSZDT-LBPRGKRZSA-N	0	1	247.346	0.517	20	30		BCEDMN
C#C[C@H](NC(=O)c1ncn[nH]1)C(C)(C)C	ZINC000288032401	353596885	/nfs/dbraw/zinc/59/68/85/353596885.db2.gz	CGESUFSRKSVFPO-ZETCQYMHSA-N	0	1	206.249	0.582	20	30		BCEDMN
C#C[C@H](NC(=O)c1nc[nH]n1)C(C)(C)C	ZINC000288032401	353596886	/nfs/dbraw/zinc/59/68/86/353596886.db2.gz	CGESUFSRKSVFPO-ZETCQYMHSA-N	0	1	206.249	0.582	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)C[C@@H]1C	ZINC000286616766	353564070	/nfs/dbraw/zinc/56/40/70/353564070.db2.gz	RUQKWSCDCXSBED-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000290663684	353667552	/nfs/dbraw/zinc/66/75/52/353667552.db2.gz	RZAZUGKETNHQGS-SSDOTTSWSA-N	0	1	221.260	0.175	20	30		BCEDMN
C#CCONC(=O)CCCCc1cn[nH]n1	ZINC000291205318	353681822	/nfs/dbraw/zinc/68/18/22/353681822.db2.gz	HZMKFUNEEPRVTB-UHFFFAOYSA-N	0	1	222.248	0.199	20	30		BCEDMN
C#CCONC(=O)[C@@H](C)c1cccnc1	ZINC000291369295	353691663	/nfs/dbraw/zinc/69/16/63/353691663.db2.gz	ZFUXCWDANLCKDO-VIFPVBQESA-N	0	1	204.229	0.866	20	30		BCEDMN
C=CCNC(=O)CN[C@H](C(=O)NCC)C(C)C	ZINC000293143808	353734780	/nfs/dbraw/zinc/73/47/80/353734780.db2.gz	DCWJMZFRCYQMTE-NSHDSACASA-N	0	1	241.335	0.039	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)NCc1cn[nH]c1C	ZINC000292407427	353713373	/nfs/dbraw/zinc/71/33/73/353713373.db2.gz	MCGOCVOMUBKAGW-VIFPVBQESA-N	0	1	224.264	0.064	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]1CC	ZINC000292474296	353715206	/nfs/dbraw/zinc/71/52/06/353715206.db2.gz	RPOJYXMFASYHTR-ZJUUUORDSA-N	0	1	239.319	0.871	20	30		BCEDMN
C#CC[NH2+][C@@H](c1nc(-c2nnc[n-]2)no1)C(C)C	ZINC000184876470	353718505	/nfs/dbraw/zinc/71/85/05/353718505.db2.gz	UMRCVSOKMCTBEJ-MRVPVSSYSA-N	0	1	246.274	0.775	20	30		BCEDMN
C#CCNC(=O)CCN1CCOCC1(C)C	ZINC000293608101	353750173	/nfs/dbraw/zinc/75/01/73/353750173.db2.gz	VLELSUQAPQKPLE-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=CCOCCN1CCCC[C@H]1C(=O)NC	ZINC000293232723	353737723	/nfs/dbraw/zinc/73/77/23/353737723.db2.gz	WDDMVEFFOLCOCJ-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000295419101	353805444	/nfs/dbraw/zinc/80/54/44/353805444.db2.gz	UBZUEVYJTXORIV-VIFPVBQESA-N	0	1	221.260	0.566	20	30		BCEDMN
C#CCCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296274140	353821756	/nfs/dbraw/zinc/82/17/56/353821756.db2.gz	DJGRULGESDKQAB-PHIMTYICSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CSc1nnc(C)[nH]1	ZINC000185305677	353788225	/nfs/dbraw/zinc/78/82/25/353788225.db2.gz	SRGZSOKYLONJHH-ZCFIWIBFSA-N	0	1	224.289	0.343	20	30		BCEDMN
C#C[C@@H](C)NC(=O)CSc1nc(C)n[nH]1	ZINC000185305677	353788227	/nfs/dbraw/zinc/78/82/27/353788227.db2.gz	SRGZSOKYLONJHH-ZCFIWIBFSA-N	0	1	224.289	0.343	20	30		BCEDMN
C#Cc1ccc(CN2CCOC[C@H](O)C2)cc1	ZINC000294835760	353790181	/nfs/dbraw/zinc/79/01/81/353790181.db2.gz	QJZJMRWBVHNVGS-CQSZACIVSA-N	0	1	231.295	0.861	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343409434	353878881	/nfs/dbraw/zinc/87/88/81/353878881.db2.gz	QEPPMFYOBMHFFQ-YFKPBYRVSA-N	0	1	223.192	0.350	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)Nc1cnn(C)c1	ZINC000297290987	353848090	/nfs/dbraw/zinc/84/80/90/353848090.db2.gz	LRTHACVALJHWKM-UHFFFAOYSA-N	0	1	249.318	0.497	20	30		BCEDMN
C=CCN(C)C(=O)NCC[N@H+]1CCCOCC1	ZINC000297135317	353848243	/nfs/dbraw/zinc/84/82/43/353848243.db2.gz	PVYUSBXXCYUXKX-UHFFFAOYSA-N	0	1	241.335	0.536	20	30		BCEDMN
C=CCN(C)C(=O)NCCN1CCCOCC1	ZINC000297135317	353848246	/nfs/dbraw/zinc/84/82/46/353848246.db2.gz	PVYUSBXXCYUXKX-UHFFFAOYSA-N	0	1	241.335	0.536	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(CC)[C@H](C)C1	ZINC000301018580	363296395	/nfs/dbraw/zinc/29/63/95/363296395.db2.gz	IXEKIYLEKWLANC-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(CC)[C@H](C)C1	ZINC000301018582	363296549	/nfs/dbraw/zinc/29/65/49/363296549.db2.gz	IXEKIYLEKWLANC-MNOVXSKESA-N	0	1	226.320	0.740	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCN2CCC2)[nH]1	ZINC000337292708	181099141	/nfs/dbraw/zinc/09/91/41/181099141.db2.gz	NATNQBXNOYBJDO-UHFFFAOYSA-N	0	1	218.260	0.322	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@]3(CNC(=O)C3)C2)o1	ZINC000279439859	181106120	/nfs/dbraw/zinc/10/61/20/181106120.db2.gz	OYYCEKGCIXWVEB-ZDUSSCGKSA-N	0	1	245.282	0.863	20	30		BCEDMN
CC[C@H](C#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000344800333	354376470	/nfs/dbraw/zinc/37/64/70/354376470.db2.gz	HZVQBUZVVHVVEE-RXMQYKEDSA-N	0	1	223.192	0.350	20	30		BCEDMN
N#Cc1ccc(NCc2nn[nH]n2)nc1	ZINC000044931648	181124973	/nfs/dbraw/zinc/12/49/73/181124973.db2.gz	JAQNLPXCPKYXHV-UHFFFAOYSA-N	0	1	201.193	0.078	20	30		BCEDMN
N#Cc1cccc(NC(=O)NCc2nnc[nH]2)c1	ZINC000037901936	181140162	/nfs/dbraw/zinc/14/01/62/181140162.db2.gz	YEHKMSAQCCLRFT-UHFFFAOYSA-N	0	1	242.242	0.998	20	30		BCEDMN
C=C(CC)CN1CCN2C(=O)NC[C@H]2C1	ZINC000334772041	354591964	/nfs/dbraw/zinc/59/19/64/354591964.db2.gz	KKCUPACEYJFHRO-JTQLQIEISA-N	0	1	209.293	0.662	20	30		BCEDMN
CC#CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000335137974	354788784	/nfs/dbraw/zinc/78/87/84/354788784.db2.gz	JHCNVVSXTGAPGC-TXEJJXNPSA-N	0	1	235.331	0.936	20	30		BCEDMN
COC(=O)C(C)(C)N(C)C(=O)C(C)C#N	ZINC000345903919	354804292	/nfs/dbraw/zinc/80/42/92/354804292.db2.gz	BAMXUNTTZSQSJE-SSDOTTSWSA-N	0	1	212.249	0.556	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2COC[C@H]2O)s1	ZINC000134217955	354836464	/nfs/dbraw/zinc/83/64/64/354836464.db2.gz	WAZNMQWGMWJLAM-VHSXEESVSA-N	0	1	224.285	0.469	20	30		BCEDMN
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)[C@H](O)C1	ZINC000351959324	134018504	/nfs/dbraw/zinc/01/85/04/134018504.db2.gz	OOVNKZKMVOUICJ-WDEREUQCSA-N	0	1	239.319	0.061	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1C[C@H](C)[C@H](O)C1	ZINC000351959324	134018505	/nfs/dbraw/zinc/01/85/05/134018505.db2.gz	OOVNKZKMVOUICJ-WDEREUQCSA-N	0	1	239.319	0.061	20	30		BCEDMN
C=CCCN(C)C(=O)NC[C@@H]1COCCN1	ZINC000627188081	363443734	/nfs/dbraw/zinc/44/37/34/363443734.db2.gz	KLNWULFIGORJMB-SNVBAGLBSA-N	0	1	227.308	0.192	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@@H]1C(=O)NCCN1CCC1	ZINC000346393799	354908925	/nfs/dbraw/zinc/90/89/25/354908925.db2.gz	CRONBJDUPPYIOI-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
N#Cc1ccncc1C(=O)NCc1cnc[nH]1	ZINC000362820189	181158931	/nfs/dbraw/zinc/15/89/31/181158931.db2.gz	LMFLETJVQFPHEU-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
CCN(CC(=O)N(CC#N)CC#N)C1CC1	ZINC000346770225	355113375	/nfs/dbraw/zinc/11/33/75/355113375.db2.gz	COPCZTQPKVUROD-UHFFFAOYSA-N	0	1	220.276	0.346	20	30		BCEDMN
CCCN(CCO)CC(=O)NC1(C#N)CCC1	ZINC000346845020	355135532	/nfs/dbraw/zinc/13/55/32/355135532.db2.gz	YJJAHQIDTAQXNE-UHFFFAOYSA-N	0	1	239.319	0.253	20	30		BCEDMN
CN1CCCN(CCCCC#N)CC1=O	ZINC000191152092	355332636	/nfs/dbraw/zinc/33/26/36/355332636.db2.gz	CEEDKNYFXWDAPL-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
C=CCNC(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000106511930	355777475	/nfs/dbraw/zinc/77/74/75/355777475.db2.gz	XBOCUKZIZXVMJQ-LLVKDONJSA-N	0	1	240.351	0.108	20	30		BCEDMN
C[C@@H](O)CN(CCO)Cc1ccc(C#N)cn1	ZINC000583638693	355941064	/nfs/dbraw/zinc/94/10/64/355941064.db2.gz	GTGNTEKVFWJSJZ-SNVBAGLBSA-N	0	1	235.287	0.128	20	30		BCEDMN
O=C(NCCN1CCC1)N[C@H]1CCCOCC1	ZINC000329517276	355927221	/nfs/dbraw/zinc/92/72/21/355927221.db2.gz	ZAURZLNTXQCWME-NSHDSACASA-N	0	1	241.335	0.765	20	30		BCEDMN
Cc1cc(CNC(=O)C(C)(C)C#N)n[nH]1	ZINC000609595150	355931731	/nfs/dbraw/zinc/93/17/31/355931731.db2.gz	OERYHJNULZGOQJ-UHFFFAOYSA-N	0	1	206.249	0.884	20	30		BCEDMN
Cc1cc(CNC(=O)c2ccc(C#N)cn2)n[nH]1	ZINC000609595196	355932365	/nfs/dbraw/zinc/93/23/65/355932365.db2.gz	QZEICXGAGOLTRM-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCCCCC#N	ZINC000330605929	355958232	/nfs/dbraw/zinc/95/82/32/355958232.db2.gz	ZMFGKJAARPXVNI-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
COCCN1CCN([C@H](C)CCC#N)CC1	ZINC000351635632	356038660	/nfs/dbraw/zinc/03/86/60/356038660.db2.gz	XGUTUHZGRGXNBA-GFCCVEGCSA-N	0	1	225.336	0.943	20	30		BCEDMN
C=C[C@](C)(O)C(=O)Nc1nc(C2CCC2)n[nH]1	ZINC000613495625	363458539	/nfs/dbraw/zinc/45/85/39/363458539.db2.gz	LTJNNOIZAHPZCG-NSHDSACASA-N	0	1	236.275	0.948	20	30		BCEDMN
C=C[C@](C)(O)C(=O)Nc1n[nH]c(C2CCC2)n1	ZINC000613495625	363458543	/nfs/dbraw/zinc/45/85/43/363458543.db2.gz	LTJNNOIZAHPZCG-NSHDSACASA-N	0	1	236.275	0.948	20	30		BCEDMN
C=CCN1CCC(S(=O)(=O)NC)CC1	ZINC000335915379	356153245	/nfs/dbraw/zinc/15/32/45/356153245.db2.gz	XXSQTFMDOLLLKA-UHFFFAOYSA-N	0	1	218.322	0.186	20	30		BCEDMN
C[C@@H](CN(C)C(=O)C1(C#N)CCC1)c1nn[nH]n1	ZINC000330042702	356164210	/nfs/dbraw/zinc/16/42/10/356164210.db2.gz	DWECSNIHTBVVKE-QMMMGPOBSA-N	0	1	248.290	0.455	20	30		BCEDMN
[O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C1CC1	ZINC000330186849	356180585	/nfs/dbraw/zinc/18/05/85/356180585.db2.gz	SLXQSAYPASSOBS-VIFPVBQESA-N	0	1	220.276	0.864	20	30		BCEDMN
[O-]C(NC1CC1)=[NH+][C@H]1CCn2ccnc2C1	ZINC000330186849	356180589	/nfs/dbraw/zinc/18/05/89/356180589.db2.gz	SLXQSAYPASSOBS-VIFPVBQESA-N	0	1	220.276	0.864	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1CNC(=O)N=c1cn[n-]s1	ZINC000330255503	356194838	/nfs/dbraw/zinc/19/48/38/356194838.db2.gz	JZAWBXSPUNVXRP-SSDOTTSWSA-N	0	1	241.320	0.958	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN1C	ZINC000609619465	356393533	/nfs/dbraw/zinc/39/35/33/356393533.db2.gz	AHVPNCISGHICLR-ONGXEEELSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000336155775	134105680	/nfs/dbraw/zinc/10/56/80/134105680.db2.gz	NCGXFRINQZOFSS-MNOVXSKESA-N	0	1	246.376	0.965	20	30		BCEDMN
C=C(C)C[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1	ZINC000639572619	356496485	/nfs/dbraw/zinc/49/64/85/356496485.db2.gz	SCAYUYLGDAWICB-LBPRGKRZSA-N	0	1	243.347	0.787	20	30		BCEDMN
CCN1C[C@@H](C)N(C(=O)CC#N)C[C@@H]1C	ZINC000336347887	134144293	/nfs/dbraw/zinc/14/42/93/134144293.db2.gz	PEOYDDLFVTYAPN-VHSXEESVSA-N	0	1	209.293	0.841	20	30		BCEDMN
N#Cc1cc(C(=O)NCCN2CCC2)c[nH]1	ZINC000346742153	356648708	/nfs/dbraw/zinc/64/87/08/356648708.db2.gz	UUVBMFSXRLMYNC-UHFFFAOYSA-N	0	1	218.260	0.322	20	30		BCEDMN
Cc1cc(CNS(=O)(=O)CCCC#N)n[nH]1	ZINC000610005299	356688507	/nfs/dbraw/zinc/68/85/07/356688507.db2.gz	LPHUPYZQLCZDRK-UHFFFAOYSA-N	0	1	242.304	0.441	20	30		BCEDMN
C=CCNC(=O)CN(CCC(=O)OC)C(C)C	ZINC000112626936	134161175	/nfs/dbraw/zinc/16/11/75/134161175.db2.gz	PDJVUISGEXTKPN-UHFFFAOYSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCN(CCOC)c1nc2[nH]ncc2c(=O)[nH]1	ZINC000302710733	134158269	/nfs/dbraw/zinc/15/82/69/134158269.db2.gz	KPKBOKJCCHVBLE-UHFFFAOYSA-N	0	1	249.274	0.697	20	30		BCEDMN
CCOC[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000113938118	134161757	/nfs/dbraw/zinc/16/17/57/134161757.db2.gz	IZIHXILGVLGTKC-NSHDSACASA-N	0	1	239.319	0.375	20	30		BCEDMN
CC#CCCNC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000355183878	134172288	/nfs/dbraw/zinc/17/22/88/134172288.db2.gz	UDYZTEKHSFJRCH-MRVPVSSYSA-N	0	1	235.291	0.887	20	30		BCEDMN
C=CCCN1CCO[C@@H](Cn2ccnn2)C1	ZINC000639854824	356858596	/nfs/dbraw/zinc/85/85/96/356858596.db2.gz	JPEXUKXIFZWPCT-LLVKDONJSA-N	0	1	222.292	0.555	20	30		BCEDMN
C=CCOCC(=O)N1CCCN(C)CC1	ZINC000356492591	134178220	/nfs/dbraw/zinc/17/82/20/134178220.db2.gz	UQIYVYOUDMSWCL-UHFFFAOYSA-N	0	1	212.293	0.353	20	30		BCEDMN
C=CCNC(=O)CN1CCN(C)[C@@H](C)[C@@H]1C	ZINC000356976829	134181575	/nfs/dbraw/zinc/18/15/75/134181575.db2.gz	BUCDOPYHUVPVIO-QWRGUYRKSA-N	0	1	225.336	0.313	20	30		BCEDMN
CN(CC#N)C(=O)[C@H]1CCCc2c[nH]nc21	ZINC000362489254	356946123	/nfs/dbraw/zinc/94/61/23/356946123.db2.gz	VEEDDSBNUGIDMP-VIFPVBQESA-N	0	1	218.260	0.812	20	30		BCEDMN
CC[C@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785331	134185247	/nfs/dbraw/zinc/18/52/47/134185247.db2.gz	BOJDIOOFECYWJD-XVKPBYJWSA-N	0	1	212.249	0.604	20	30		BCEDMN
CC1=CCN(CCNC(=O)[C@@H](C)C#N)CC1	ZINC000358072372	134186502	/nfs/dbraw/zinc/18/65/02/134186502.db2.gz	YYURTAYVSOIZSY-NSHDSACASA-N	0	1	221.304	0.914	20	30		BCEDMN
CCN(CC[C@H]1CCNC1=O)C[C@@H](C)C#N	ZINC000395840065	357457433	/nfs/dbraw/zinc/45/74/33/357457433.db2.gz	HGYRBOQCNBNTHO-WDEREUQCSA-N	0	1	223.320	0.994	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCCNC(=O)[C@H]1C	ZINC000189306635	357630701	/nfs/dbraw/zinc/63/07/01/357630701.db2.gz	XBKDUBIEARRAJS-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C[C@H]1C(=O)NCCC[N@@H+]1CCCSCC#N	ZINC000189338587	357633336	/nfs/dbraw/zinc/63/33/36/357633336.db2.gz	UUOWGFWEVLEJHV-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C[C@H]1C(=O)NCCCN1CCCSCC#N	ZINC000189338587	357633337	/nfs/dbraw/zinc/63/33/37/357633337.db2.gz	UUOWGFWEVLEJHV-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
C[C@H]1COCCN1CCN1CCC(C#N)CC1	ZINC000191465807	357771911	/nfs/dbraw/zinc/77/19/11/357771911.db2.gz	HISLHUQCSKUQNE-LBPRGKRZSA-N	0	1	237.347	0.943	20	30		BCEDMN
CCN(CCO)[C@@H](C)C(=O)N(C)CCC#N	ZINC000120017781	134227062	/nfs/dbraw/zinc/22/70/62/134227062.db2.gz	UNAHVRAVSIIBDW-JTQLQIEISA-N	0	1	227.308	0.061	20	30		BCEDMN
C=CCCS(=O)(=O)NC[C@H](C)N(C)C1CC1	ZINC000120289628	134228656	/nfs/dbraw/zinc/22/86/56/134228656.db2.gz	VOGWUQAEEVETBK-JTQLQIEISA-N	0	1	246.376	0.965	20	30		BCEDMN
COC(=O)[C@H](NC(=O)C(C)C#N)C(C)(C)C	ZINC000610428272	357923079	/nfs/dbraw/zinc/92/30/79/357923079.db2.gz	ROMNLXBRAOIOFD-SFYZADRCSA-N	0	1	226.276	0.850	20	30		BCEDMN
C=C(CC)CNc1ccncc1C(N)=O	ZINC000583793664	357947796	/nfs/dbraw/zinc/94/77/96/357947796.db2.gz	VOPNWFOPOYFJNZ-UHFFFAOYSA-N	0	1	205.261	0.981	20	30		BCEDMN
Cc1cc(CNC(=O)c2cc(C#N)cn2C)n[nH]1	ZINC000610579273	358003372	/nfs/dbraw/zinc/00/33/72/358003372.db2.gz	OAYVQBUTXHIHJZ-UHFFFAOYSA-N	0	1	243.270	0.858	20	30		BCEDMN
CSCCN1CCCC[C@@H]1/C(N)=N/O	ZINC000122965759	134242052	/nfs/dbraw/zinc/24/20/52/134242052.db2.gz	CWRLTSWRVKFBQS-MRVPVSSYSA-N	0	1	217.338	0.950	20	30		BCEDMN
N#Cc1csc(C(=O)NCc2c[nH]nn2)c1	ZINC000610638566	358034084	/nfs/dbraw/zinc/03/40/84/358034084.db2.gz	GNBZKXHLIRLXFJ-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
N#Cc1csc(C(=O)NCc2nn[nH]n2)c1	ZINC000610628228	358038563	/nfs/dbraw/zinc/03/85/63/358038563.db2.gz	APYUMYXNEIWMBJ-UHFFFAOYSA-N	0	1	234.244	0.063	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](CCO)C1	ZINC000051895486	358090685	/nfs/dbraw/zinc/09/06/85/358090685.db2.gz	VULGVYAYKSQXCL-NSHDSACASA-N	0	1	226.320	0.383	20	30		BCEDMN
CCN1CCN(c2cncc(C#N)n2)[C@@H](C)C1	ZINC000584583902	358096631	/nfs/dbraw/zinc/09/66/31/358096631.db2.gz	QTIKWWZOIXFSCR-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N(C)Cc1nnc[nH]1	ZINC000172617301	134268482	/nfs/dbraw/zinc/26/84/82/134268482.db2.gz	YGIXTWWKDKBQGA-SECBINFHSA-N	0	1	238.291	0.744	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCC(C)(C)C1	ZINC000174254667	134280298	/nfs/dbraw/zinc/28/02/98/134280298.db2.gz	KRHDBMINUYSRRD-UHFFFAOYSA-N	0	1	239.319	0.730	20	30		BCEDMN
Cc1cc(C#N)ccc1C(=O)NCc1c[nH]nn1	ZINC000610971932	358416786	/nfs/dbraw/zinc/41/67/86/358416786.db2.gz	LQBHRWXHSAYGGH-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CN(Cc1nnc[nH]1)Cc1ccnc(C#N)c1	ZINC000610994853	358423442	/nfs/dbraw/zinc/42/34/42/358423442.db2.gz	VIQHLTKUDWLNJF-UHFFFAOYSA-N	0	1	228.259	0.703	20	30		BCEDMN
COC(=O)[C@@H](CC(C)C)NC(=O)C(C)C#N	ZINC000044827904	358556645	/nfs/dbraw/zinc/55/66/45/358556645.db2.gz	FWNKTOTUTQMFKE-RKDXNWHRSA-N	0	1	226.276	0.850	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000130424064	358624664	/nfs/dbraw/zinc/62/46/64/358624664.db2.gz	PXLJAUNATBSQAA-CQSZACIVSA-N	0	1	235.375	0.722	20	30		BCEDMN
CC(C)CN1CCN(C(=O)[C@H](C)C#N)CC1	ZINC000055079845	358881938	/nfs/dbraw/zinc/88/19/38/358881938.db2.gz	KQKFTKQRSDNQSB-LLVKDONJSA-N	0	1	223.320	0.946	20	30		BCEDMN
COCC#CCN1CCC(CC(=O)OC)CC1	ZINC000611194642	359119071	/nfs/dbraw/zinc/11/90/71/359119071.db2.gz	LUIJQLJGHFMMRO-UHFFFAOYSA-N	0	1	239.315	0.911	20	30		BCEDMN
CCOC(=O)CCN(C)CC#CCOC	ZINC000611194650	359119217	/nfs/dbraw/zinc/11/92/17/359119217.db2.gz	MXQKDYKAGLCJMS-UHFFFAOYSA-N	0	1	213.277	0.521	20	30		BCEDMN
CN(C)C(=O)[C@@H]1CCCN1CCCC#N	ZINC000248033667	359250940	/nfs/dbraw/zinc/25/09/40/359250940.db2.gz	UJOKOCJJPRWAGG-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2ccc(C#N)nn2)CCN1C	ZINC000611299089	359304411	/nfs/dbraw/zinc/30/44/11/359304411.db2.gz	NALMGINEPTZXEQ-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#CC1(CN2CCN([C@H]3CCC[C@@H]3O)CC2)CC1	ZINC000611429583	359367444	/nfs/dbraw/zinc/36/74/44/359367444.db2.gz	UJJNNEATEAUFIP-STQMWFEESA-N	0	1	249.358	0.821	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000611471876	359376574	/nfs/dbraw/zinc/37/65/74/359376574.db2.gz	CSZFBSRZHYITJN-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
CN(C)CC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612397350	359828779	/nfs/dbraw/zinc/82/87/79/359828779.db2.gz	GSDAWFAHZDQZSB-NSHDSACASA-N	0	1	209.293	0.700	20	30		BCEDMN
CC#CCN1C[C@@H](C(=O)OCC)C2(COC2)C1	ZINC000451128586	202360523	/nfs/dbraw/zinc/36/05/23/202360523.db2.gz	BWSLQMZREPWTAJ-NSHDSACASA-N	0	1	237.299	0.521	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000613967813	363693023	/nfs/dbraw/zinc/69/30/23/363693023.db2.gz	KNHFSSQABNFFPJ-QWRGUYRKSA-N	0	1	226.320	0.332	20	30		BCEDMN
CCN(CCC(=O)N(C)CCC#N)C1COC1	ZINC000451290780	202398123	/nfs/dbraw/zinc/39/81/23/202398123.db2.gz	XWJYIYYCVREBJR-UHFFFAOYSA-N	0	1	239.319	0.469	20	30		BCEDMN
COc1ccc([C@H](C)NCC(=O)NCC#N)cc1	ZINC000090340342	360069889	/nfs/dbraw/zinc/06/98/89/360069889.db2.gz	DJCZYQDXQBWHTF-JTQLQIEISA-N	0	1	247.298	0.986	20	30		BCEDMN
C=C(C)CN1CC[C@@H](S(=O)(=O)NCC)C1	ZINC000092842781	360202926	/nfs/dbraw/zinc/20/29/26/360202926.db2.gz	JBOKVPKLWLESBY-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
N#Cc1csc(CN(CCO)CCCO)c1	ZINC000093324157	360230407	/nfs/dbraw/zinc/23/04/07/360230407.db2.gz	HSLCFUWOJHCEMV-UHFFFAOYSA-N	0	1	240.328	0.796	20	30		BCEDMN
N#CCSCC(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000063114946	360739036	/nfs/dbraw/zinc/73/90/36/360739036.db2.gz	DYPXODQTTZNGTE-VIFPVBQESA-N	0	1	239.344	0.596	20	30		BCEDMN
N#CCSCC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000063114946	360739040	/nfs/dbraw/zinc/73/90/40/360739040.db2.gz	DYPXODQTTZNGTE-VIFPVBQESA-N	0	1	239.344	0.596	20	30		BCEDMN
C=C(C)C(C)(C)C(=O)NCCN1CC[C@@H](O)C1	ZINC000629166026	360915333	/nfs/dbraw/zinc/91/53/33/360915333.db2.gz	GSEJAAGPBUGAAQ-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000416457502	200798621	/nfs/dbraw/zinc/79/86/21/200798621.db2.gz	OHPSWOKHWSHUTE-OPRDCNLKSA-N	0	1	245.348	0.301	20	30		BCEDMN
CCCCN1CCN(C(=O)CC#N)CC1	ZINC000574999932	361247353	/nfs/dbraw/zinc/24/73/53/361247353.db2.gz	PCZZBDXNBMOYGQ-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@H]2C[C@@]2(O)C1	ZINC000640474028	361244431	/nfs/dbraw/zinc/24/44/31/361244431.db2.gz	NRVRGPHZHFRNQN-DGCLKSJQSA-N	0	1	238.331	0.478	20	30		BCEDMN
Cc1nc(CN2CCC(C#N)CC2)n[nH]1	ZINC000428408766	201012987	/nfs/dbraw/zinc/01/29/87/201012987.db2.gz	UQHVASDTQQUFBC-UHFFFAOYSA-N	0	1	205.265	0.849	20	30		BCEDMN
CC#CCCCC(=O)NCc1n[nH]c(=O)n1C	ZINC000640649933	361347892	/nfs/dbraw/zinc/34/78/92/361347892.db2.gz	DJXRIYCILNHKEA-UHFFFAOYSA-N	0	1	236.275	0.331	20	30		BCEDMN
C=C1CC(C)(C(=O)NCc2n[nH]c(=O)n2C)C1	ZINC000640650533	361349068	/nfs/dbraw/zinc/34/90/68/361349068.db2.gz	HUYVZSROAWULLV-UHFFFAOYSA-N	0	1	236.275	0.493	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCCN1CC=CCC1	ZINC000614258367	363772433	/nfs/dbraw/zinc/77/24/33/363772433.db2.gz	ALQLRPLDLAHEGW-LBPRGKRZSA-N	0	1	224.304	0.302	20	30		BCEDMN
N#CC1(CN2CCc3n[nH]nc3C2)CC1	ZINC000429319731	201101961	/nfs/dbraw/zinc/10/19/61/201101961.db2.gz	TVEAPUGUCOZPIU-UHFFFAOYSA-N	0	1	203.249	0.467	20	30		BCEDMN
CN(CCC(=O)NC(N)=O)CC(C)(C)C#N	ZINC000433303579	201179116	/nfs/dbraw/zinc/17/91/16/201179116.db2.gz	LILCEHQZTDOUAI-UHFFFAOYSA-N	0	1	226.280	0.053	20	30		BCEDMN
CNC(=O)NC(=O)CCN(C)CC(C)(C)C#N	ZINC000433303189	201180307	/nfs/dbraw/zinc/18/03/07/201180307.db2.gz	HGSHAIXKJSAMKD-UHFFFAOYSA-N	0	1	240.307	0.314	20	30		BCEDMN
CN(CC#N)C(=O)c1cc(F)cc2nn[nH]c21	ZINC000433342043	201182675	/nfs/dbraw/zinc/18/26/75/201182675.db2.gz	IELBZQMMWFWXKF-UHFFFAOYSA-N	0	1	233.206	0.693	20	30		BCEDMN
N#Cc1ccc(CNC2(C(N)=O)CC2)cc1	ZINC000152406373	201197871	/nfs/dbraw/zinc/19/78/71/201197871.db2.gz	LDCYPLTUXUVDEV-UHFFFAOYSA-N	0	1	215.256	0.666	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)CCN1CCCC1	ZINC000435443407	201272259	/nfs/dbraw/zinc/27/22/59/201272259.db2.gz	QLAOSDWWGXXJIM-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H]1COC[C@H]1OCC	ZINC000451944262	202501583	/nfs/dbraw/zinc/50/15/83/202501583.db2.gz	NPWJBXBJPRKFQS-GMTAPVOTSA-N	0	1	242.319	0.071	20	30		BCEDMN
C=CCN(CC=C)C(=O)Cc1ncn[nH]1	ZINC000630406250	364133609	/nfs/dbraw/zinc/13/36/09/364133609.db2.gz	PWERAYQTZUXKQY-UHFFFAOYSA-N	0	1	206.249	0.548	20	30		BCEDMN
C=C1CC(C)(C(=O)NCc2nnc[nH]2)C1	ZINC000630820347	364575878	/nfs/dbraw/zinc/57/58/78/364575878.db2.gz	RJZURNQEOKQRBQ-UHFFFAOYSA-N	0	1	206.249	0.777	20	30		BCEDMN
N#CCC(=O)N1CCN(CCC2CC2)CC1	ZINC000575426978	365316190	/nfs/dbraw/zinc/31/61/90/365316190.db2.gz	FXKIOPPMOHANFE-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
N#CCCOCC[N@@H+]1CCC[C@H](CO)C1	ZINC000338900615	365440858	/nfs/dbraw/zinc/44/08/58/365440858.db2.gz	ILRIPLREVPCZAD-NSHDSACASA-N	0	1	212.293	0.621	20	30		BCEDMN
N#CCCOCCN1CCN(C2CC2)CC1	ZINC000338932781	365442093	/nfs/dbraw/zinc/44/20/93/365442093.db2.gz	CIIKCZXYVLWWSL-UHFFFAOYSA-N	0	1	223.320	0.697	20	30		BCEDMN
N#CCCOCCN1CCC[C@H]2C(=O)NC[C@@H]21	ZINC000339154722	365452349	/nfs/dbraw/zinc/45/23/49/365452349.db2.gz	LHDUCDVWFZRSPH-MNOVXSKESA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H](C)CC(=O)OCC	ZINC000182664798	366928860	/nfs/dbraw/zinc/92/88/60/366928860.db2.gz	WAEHAYJGFCTCRP-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)COCCOC	ZINC000581140449	367275817	/nfs/dbraw/zinc/27/58/17/367275817.db2.gz	MOVCDVOKEPHGND-WDEREUQCSA-N	0	1	230.308	0.292	20	30		BCEDMN
CCN(CC)CCS(=O)(=O)NC[C@@H](C)C#N	ZINC000581039553	367242776	/nfs/dbraw/zinc/24/27/76/367242776.db2.gz	BTTGGNKJHNTVBR-JTQLQIEISA-N	0	1	247.364	0.407	20	30		BCEDMN
CC[C@H](CC#N)NCCN1C(=O)N[C@@H](C)C1=O	ZINC000581319020	367345743	/nfs/dbraw/zinc/34/57/43/367345743.db2.gz	ONVKNZHRYMGVPO-DTWKUNHWSA-N	0	1	238.291	0.209	20	30		BCEDMN
CCN(CCCNC(C)=O)C[C@@H](C)C#N	ZINC000195434893	367360195	/nfs/dbraw/zinc/36/01/95/367360195.db2.gz	QORFEHPTGCKRFS-JTQLQIEISA-N	0	1	211.309	0.994	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(=O)[O-]	ZINC000581500537	367527950	/nfs/dbraw/zinc/52/79/50/367527950.db2.gz	WGXBUDPPLBVZBR-NXEZZACHSA-N	0	1	245.344	0.816	20	30		BCEDMN
C#CCN1CCC[C@H](N2CCOCC2)C1	ZINC000382501987	367530746	/nfs/dbraw/zinc/53/07/46/367530746.db2.gz	SKMZMMZMVQADIR-LBPRGKRZSA-N	0	1	208.305	0.416	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)c2cnc[nH]2)C1	ZINC000615580961	368113286	/nfs/dbraw/zinc/11/32/86/368113286.db2.gz	DVGHUFBWVFYBHS-VIFPVBQESA-N	0	1	208.196	0.487	20	30		BCEDMN
C[NH2+]CCC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000582014300	368154158	/nfs/dbraw/zinc/15/41/58/368154158.db2.gz	NSBNVPZXTHZXBQ-UHFFFAOYSA-N	0	1	243.288	0.039	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CC[C@](F)(C#N)C1	ZINC000615823627	368457420	/nfs/dbraw/zinc/45/74/20/368457420.db2.gz	RWUCEDKDBUPXSY-PWSUYJOCSA-N	0	1	239.294	0.935	20	30		BCEDMN
C=CC(C)(C)CNC(=O)Cc1n[nH]c(C)n1	ZINC000615830557	368476693	/nfs/dbraw/zinc/47/66/93/368476693.db2.gz	DKBWSIVREFHQFS-UHFFFAOYSA-N	0	1	222.292	0.984	20	30		BCEDMN
C[C@@H](CCC#N)N1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000567053033	326107267	/nfs/dbraw/zinc/10/72/67/326107267.db2.gz	PELRKRGUVYJWMX-DCAQKATOSA-N	0	1	237.303	0.268	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(CC)CC(=C)C	ZINC000048617282	368979038	/nfs/dbraw/zinc/97/90/38/368979038.db2.gz	WRTDHHATCUXHCL-UHFFFAOYSA-N	0	1	239.319	0.896	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N(C)CC1CN(C)C1	ZINC000618195195	369083929	/nfs/dbraw/zinc/08/39/29/369083929.db2.gz	ZHKKGDBZJUUOPL-LLVKDONJSA-N	0	1	240.347	0.988	20	30		BCEDMN
C=CCOCCCNC(=O)CN(C)C	ZINC000618522477	369166580	/nfs/dbraw/zinc/16/65/80/369166580.db2.gz	JACVNHCPYZGSNF-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
C=CCOCCCNC(=O)CCc1nc[nH]n1	ZINC000618525452	369167464	/nfs/dbraw/zinc/16/74/64/369167464.db2.gz	DTEILEJKLKALBQ-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
CC#CCNC(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000459254112	203243692	/nfs/dbraw/zinc/24/36/92/203243692.db2.gz	GUJNSGFZXAAFEL-UHFFFAOYSA-N	0	1	249.318	0.925	20	30		BCEDMN
N#Cc1cncc(NCCN2CCC(O)CC2)n1	ZINC000401473204	369365043	/nfs/dbraw/zinc/36/50/43/369365043.db2.gz	JHQFJKASUXJFCY-UHFFFAOYSA-N	0	1	247.302	0.217	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)CCc2cnc[nH]2)C1	ZINC000619445129	369366914	/nfs/dbraw/zinc/36/69/14/369366914.db2.gz	BAHBNSODJGRWST-LLVKDONJSA-N	0	1	236.250	0.806	20	30		BCEDMN
N#C[C@H](NC(=O)c1ccc2[nH]nnc2c1)C1CC1	ZINC000108831294	369410393	/nfs/dbraw/zinc/41/03/93/369410393.db2.gz	DVGPIJBCJSWZIE-NSHDSACASA-N	0	1	241.254	0.990	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CC(C#N)C1	ZINC000259978184	370960209	/nfs/dbraw/zinc/96/02/09/370960209.db2.gz	HQKOSJVFWHOTFR-JTQLQIEISA-N	0	1	207.277	0.453	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)NCc1c[nH]nn1	ZINC000619551906	369475922	/nfs/dbraw/zinc/47/59/22/369475922.db2.gz	KRFSPIHNRYZRCV-UHFFFAOYSA-N	0	1	231.215	0.508	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1=O	ZINC000600553909	369544577	/nfs/dbraw/zinc/54/45/77/369544577.db2.gz	BLYOZNAWEYITPJ-AEJSXWLSSA-N	0	1	243.266	0.620	20	30		BCEDMN
N#Cc1cnc(N2CC(N3CCCC3)C2)cn1	ZINC000601194304	369603781	/nfs/dbraw/zinc/60/37/81/369603781.db2.gz	XZJDRJSMAJEMSO-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
C[S@@](=O)C1(CNCc2cccc(C#N)n2)CC1	ZINC000602658733	369835277	/nfs/dbraw/zinc/83/52/77/369835277.db2.gz	XBCGXCYIOHLHOU-QGZVFWFLSA-N	0	1	249.339	0.954	20	30		BCEDMN
CNC(=O)CCN(C)Cc1cccc(C#N)n1	ZINC000602460427	369791035	/nfs/dbraw/zinc/79/10/35/369791035.db2.gz	SBMLUCGROOSCKK-UHFFFAOYSA-N	0	1	232.287	0.521	20	30		BCEDMN
CC(C)C(=O)NCCNCc1cccc(C#N)n1	ZINC000602505660	369797937	/nfs/dbraw/zinc/79/79/37/369797937.db2.gz	WHCYTQXUWDJTOP-UHFFFAOYSA-N	0	1	246.314	0.815	20	30		BCEDMN
N#Cc1cccc(CN[C@H](CO)CCF)n1	ZINC000602710097	369844257	/nfs/dbraw/zinc/84/42/57/369844257.db2.gz	DKKINSGLFHXGFY-NSHDSACASA-N	0	1	223.251	0.763	20	30		BCEDMN
CN[C@@H](C)c1cn(Cc2ccncc2C#N)nn1	ZINC000603254187	369905561	/nfs/dbraw/zinc/90/55/61/369905561.db2.gz	MLOYZOFVNILBER-VIFPVBQESA-N	0	1	242.286	0.873	20	30		BCEDMN
C=C(C)CN(CC)CCS(=O)(=O)NC	ZINC000621245547	370179751	/nfs/dbraw/zinc/17/97/51/370179751.db2.gz	KGEWUGMRLVPTTO-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
CN1CC[N@@H+](C)C[C@@H]1CNc1cc(C#N)ncn1	ZINC000310660317	370361145	/nfs/dbraw/zinc/36/11/45/370361145.db2.gz	FQRNSWGBHGPGNU-NSHDSACASA-N	0	1	246.318	0.006	20	30		BCEDMN
COC(=O)CCCNC[C@@H](C#N)CCC#N	ZINC000568500761	326359966	/nfs/dbraw/zinc/35/99/66/326359966.db2.gz	FLACERKNWVZMNE-SNVBAGLBSA-N	0	1	223.276	0.973	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)Cc1nnc[nH]1	ZINC000632849756	373188205	/nfs/dbraw/zinc/18/82/05/373188205.db2.gz	PRWZBDCKHKVBMP-QMMMGPOBSA-N	0	1	208.265	0.818	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)CCc1nn[nH]n1	ZINC000632850971	373188212	/nfs/dbraw/zinc/18/82/12/373188212.db2.gz	YERVRVJUBHUZHO-QMMMGPOBSA-N	0	1	223.280	0.603	20	30		BCEDMN
C=C(C)CCNC(=O)CCc1nn[nH]n1	ZINC000633307691	373465616	/nfs/dbraw/zinc/46/56/16/373465616.db2.gz	ULTXZWRZJDZZLH-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CCc1c[nH]nn1	ZINC000633315261	373469264	/nfs/dbraw/zinc/46/92/64/373469264.db2.gz	MWKAFQSGJOTEGS-ZJUUUORDSA-N	0	1	236.275	0.197	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CCc1cnn[nH]1	ZINC000633315261	373469270	/nfs/dbraw/zinc/46/92/70/373469270.db2.gz	MWKAFQSGJOTEGS-ZJUUUORDSA-N	0	1	236.275	0.197	20	30		BCEDMN
C=CC[C@@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000633618289	373632924	/nfs/dbraw/zinc/63/29/24/373632924.db2.gz	RYLNLTOKIBLWCJ-SNVBAGLBSA-N	0	1	249.318	0.947	20	30		BCEDMN
OC[C@@H]1C[C@@H](O)CN1CC#Cc1ccccc1	ZINC000276909642	183129752	/nfs/dbraw/zinc/12/97/52/183129752.db2.gz	FMJANJBTJIDTBS-UONOGXRCSA-N	0	1	231.295	0.466	20	30		BCEDMN
CCCN(CC(=O)OCC)C(=O)C(C)C#N	ZINC000044827080	169101445	/nfs/dbraw/zinc/10/14/45/169101445.db2.gz	REDJYUAHVDHLKA-SECBINFHSA-N	0	1	226.276	0.948	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N(C)CC(=C)C	ZINC000181258882	134334356	/nfs/dbraw/zinc/33/43/56/134334356.db2.gz	FQYIGRIFHRXDOJ-JTQLQIEISA-N	0	1	239.319	0.895	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H](O)C(F)F)o1	ZINC000226578487	134366971	/nfs/dbraw/zinc/36/69/71/134366971.db2.gz	REYMAQFIRKBUOI-MRVPVSSYSA-N	0	1	216.187	0.867	20	30		BCEDMN
CN(C)C(=O)NCCN(C)CCCC#N	ZINC000332483892	384020540	/nfs/dbraw/zinc/02/05/40/384020540.db2.gz	PBMBFAUBCOIYTR-UHFFFAOYSA-N	0	1	212.297	0.493	20	30		BCEDMN
C#CCCN1CC[C@H](S(=O)(=O)NC(C)C)C1	ZINC000363468219	384083410	/nfs/dbraw/zinc/08/34/10/384083410.db2.gz	LBBIMPLBTSBMBF-NSHDSACASA-N	0	1	244.360	0.412	20	30		BCEDMN
C#CCCN1CC[C@@H](S(=O)(=O)NC(C)C)C1	ZINC000363468218	384082842	/nfs/dbraw/zinc/08/28/42/384082842.db2.gz	LBBIMPLBTSBMBF-LLVKDONJSA-N	0	1	244.360	0.412	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21	ZINC000332669904	384108897	/nfs/dbraw/zinc/10/88/97/384108897.db2.gz	BKALOHKMWCCZPR-OUAUKWLOSA-N	0	1	237.303	0.078	20	30		BCEDMN
CN(CCC(N)=O)Cc1ccc(C#N)s1	ZINC000289518438	384126114	/nfs/dbraw/zinc/12/61/14/384126114.db2.gz	HAMQUYUFXYPMMO-UHFFFAOYSA-N	0	1	223.301	0.927	20	30		BCEDMN
C#CCCCN1CCN(C(=O)NC)CC1	ZINC000113546707	533036351	/nfs/dbraw/zinc/03/63/51/533036351.db2.gz	WHHUJZNIXJMVBL-UHFFFAOYSA-N	0	1	209.293	0.357	20	30		BCEDMN
COC[C@@H]1CN(CCCSCC#N)CCO1	ZINC000074991460	384175924	/nfs/dbraw/zinc/17/59/24/384175924.db2.gz	ATBGOJFJRHBZHF-NSHDSACASA-N	0	1	244.360	0.980	20	30		BCEDMN
C[C@@H](CO)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000135622602	384203767	/nfs/dbraw/zinc/20/37/67/384203767.db2.gz	ULEGPZNFKNPRNH-GWCFXTLKSA-N	0	1	234.299	0.904	20	30		BCEDMN
C[C@@H](CO)CNCc1nc(C#N)cs1	ZINC000336656885	384246630	/nfs/dbraw/zinc/24/66/30/384246630.db2.gz	PCKKIKAADBGYAC-SSDOTTSWSA-N	0	1	211.290	0.733	20	30		BCEDMN
N#Cc1csc(CNC[C@]2(O)CCOC2)n1	ZINC000336699909	384254445	/nfs/dbraw/zinc/25/44/45/384254445.db2.gz	NDXONIQAAMZXMN-SNVBAGLBSA-N	0	1	239.300	0.256	20	30		BCEDMN
CN(C)CC(=O)NCCOc1ccc(C#N)cc1	ZINC000174194499	384308808	/nfs/dbraw/zinc/30/88/08/384308808.db2.gz	BTHIDSWUVXEQTR-UHFFFAOYSA-N	0	1	247.298	0.615	20	30		BCEDMN
C#CCCN1CCN(c2ncc(C)cn2)CC1	ZINC000301834020	533054391	/nfs/dbraw/zinc/05/43/91/533054391.db2.gz	SLMDBSZVHRHYHJ-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C#CCCN1CCN2C(=O)N(C)C[C@@H]2C1	ZINC000373247535	533054827	/nfs/dbraw/zinc/05/48/27/533054827.db2.gz	RGYBKYUGOXFAOJ-SNVBAGLBSA-N	0	1	207.277	0.061	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)cn2)C1	ZINC000158344421	384435022	/nfs/dbraw/zinc/43/50/22/384435022.db2.gz	PDRGZLOBMXTCOS-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
N#CCCCCS(=O)(=O)c1ncc[nH]1	ZINC000078820096	384467329	/nfs/dbraw/zinc/46/73/29/384467329.db2.gz	PVNOQTGTISAZAV-UHFFFAOYSA-N	0	1	213.262	0.877	20	30		BCEDMN
Cc1nc(C(=O)NCc2nnc[nH]2)ccc1C#N	ZINC000037920327	384482341	/nfs/dbraw/zinc/48/23/41/384482341.db2.gz	FQBBVEHCZMHRBD-UHFFFAOYSA-N	0	1	242.242	0.310	20	30		BCEDMN
Cc1nc(C(=O)N2CCNCC2)ccc1C#N	ZINC000082652859	384517826	/nfs/dbraw/zinc/51/78/26/384517826.db2.gz	AIMJZYPQZPAIJH-UHFFFAOYSA-N	0	1	230.271	0.307	20	30		BCEDMN
CN(C)[C@H]1CCN(S(=O)(=O)CCCC#N)C1	ZINC000111339275	384610507	/nfs/dbraw/zinc/61/05/07/384610507.db2.gz	GBXDJBGBIAZQTJ-JTQLQIEISA-N	0	1	245.348	0.256	20	30		BCEDMN
C[C@@H](O)CN1CCN(Cc2ccc(C#N)o2)CC1	ZINC000188728365	384697845	/nfs/dbraw/zinc/69/78/45/384697845.db2.gz	SLGJUBPFCRYUDH-LLVKDONJSA-N	0	1	249.314	0.650	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](OC)C1	ZINC000189284424	384699946	/nfs/dbraw/zinc/69/99/46/384699946.db2.gz	SIURKLSFNPOYBO-SRVKXCTJSA-N	0	1	238.331	0.481	20	30		BCEDMN
N#CCNC(=O)CN[C@H](c1cccnc1)C1CC1	ZINC000445811316	384741615	/nfs/dbraw/zinc/74/16/15/384741615.db2.gz	RCIHZYGEXAWBKG-ZDUSSCGKSA-N	0	1	244.298	0.762	20	30		BCEDMN
CC#CCCN1CCN2C(=O)NC[C@@H]2C1	ZINC000155980362	384780085	/nfs/dbraw/zinc/78/00/85/384780085.db2.gz	FJSWQNFKAZNDAN-SNVBAGLBSA-N	0	1	207.277	0.109	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000126918983	384829811	/nfs/dbraw/zinc/82/98/11/384829811.db2.gz	PRBDEFYPNYNUEX-SECBINFHSA-N	0	1	212.318	0.173	20	30		BCEDMN
N#Cc1ccc(C(=O)Nc2nc[nH]n2)cc1O	ZINC000188282840	384872623	/nfs/dbraw/zinc/87/26/23/384872623.db2.gz	YBKWHNGLNWOBGI-UHFFFAOYSA-N	0	1	229.199	0.634	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCc2nc[nH]n2)cc1	ZINC000080578717	384866093	/nfs/dbraw/zinc/86/60/93/384866093.db2.gz	FJBFWKZTZSWRNY-UHFFFAOYSA-N	0	1	241.254	0.649	20	30		BCEDMN
C#CCOCCNc1ncnc2[nH]cnc21	ZINC000302185863	384978625	/nfs/dbraw/zinc/97/86/25/384978625.db2.gz	UCSRQAYUUSNZNH-UHFFFAOYSA-N	0	1	217.232	0.415	20	30		BCEDMN
CCN(CC(=O)NCC1(C#N)CC1)C1CC1	ZINC000559609773	385064766	/nfs/dbraw/zinc/06/47/66/385064766.db2.gz	HVULNJAMOHJJEG-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000334144393	385039317	/nfs/dbraw/zinc/03/93/17/385039317.db2.gz	XRQSIPAJWGYSIU-VHSXEESVSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000334144191	385044273	/nfs/dbraw/zinc/04/42/73/385044273.db2.gz	XRQSIPAJWGYSIU-NXEZZACHSA-N	0	1	211.309	0.954	20	30		BCEDMN
N#Cc1cccc(CNC2(C(N)=O)CC2)c1	ZINC000177736091	385091751	/nfs/dbraw/zinc/09/17/51/385091751.db2.gz	CWPTVUHLRLHOFG-UHFFFAOYSA-N	0	1	215.256	0.666	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCN(C)[C@@H](C)[C@H]1C	ZINC000491616833	385161006	/nfs/dbraw/zinc/16/10/06/385161006.db2.gz	BWQSOZRXUINKTE-NWDGAFQWSA-N	0	1	237.347	0.150	20	30		BCEDMN
Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1	ZINC000188541454	385166892	/nfs/dbraw/zinc/16/68/92/385166892.db2.gz	CMEWFFIPTKLDQB-UHFFFAOYSA-N	0	1	243.226	0.943	20	30		BCEDMN
Cn1cc(CN[C@@H]2CCCCNC2=O)cc1C#N	ZINC000189583054	385201196	/nfs/dbraw/zinc/20/11/96/385201196.db2.gz	PTFGKKQVLLMLGR-GFCCVEGCSA-N	0	1	246.314	0.655	20	30		BCEDMN
COc1cc(C#N)ccc1CN(C)CCO	ZINC000120601300	385337859	/nfs/dbraw/zinc/33/78/59/385337859.db2.gz	LECAASFUDVEEDD-UHFFFAOYSA-N	0	1	220.272	0.991	20	30		BCEDMN
C[N@@H+](CCOc1cccc(C#N)c1)CCC(N)=O	ZINC000264712339	385359007	/nfs/dbraw/zinc/35/90/07/385359007.db2.gz	LFGHJGRQAFNZAA-UHFFFAOYSA-N	0	1	247.298	0.744	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnn(CCC)c1	ZINC000309046435	385389890	/nfs/dbraw/zinc/38/98/90/385389890.db2.gz	OXEFBBZAJRGQLP-NSHDSACASA-N	0	1	209.293	0.930	20	30		BCEDMN
N#CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000408002147	385360864	/nfs/dbraw/zinc/36/08/64/385360864.db2.gz	LRVNNEGIGLLUQC-NSHDSACASA-N	0	1	237.303	0.270	20	30		BCEDMN
CN(C)CC(=O)N1CCSC[C@@H]1C#N	ZINC000334198852	385518616	/nfs/dbraw/zinc/51/86/16/385518616.db2.gz	LXYHYIIFOBLAFO-QMMMGPOBSA-N	0	1	213.306	0.016	20	30		BCEDMN
N#CC[C@H]1CCCN(CCN2C(=O)CCC2=O)C1	ZINC000595611943	385634629	/nfs/dbraw/zinc/63/46/29/385634629.db2.gz	PUCSMHNCTUUDIV-LLVKDONJSA-N	0	1	249.314	0.761	20	30		BCEDMN
Cc1cc(C(=O)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000260024033	385651193	/nfs/dbraw/zinc/65/11/93/385651193.db2.gz	VWRDQISRWCGPNB-MRVPVSSYSA-N	0	1	220.232	0.083	20	30		BCEDMN
C=C[C@@H](CO)N[C@H]1CCCc2nn(C)cc21	ZINC000309585535	385718323	/nfs/dbraw/zinc/71/83/23/385718323.db2.gz	SCOSCNYBQDZYDJ-ONGXEEELSA-N	0	1	221.304	0.934	20	30		BCEDMN
CN(C)C[C@H]1CCCN1S(=O)(=O)CCC#N	ZINC000408457636	385708793	/nfs/dbraw/zinc/70/87/93/385708793.db2.gz	BWBPKEOXPQUGRP-SNVBAGLBSA-N	0	1	245.348	0.256	20	30		BCEDMN
N#Cc1cncnc1NCCN1CCC(O)CC1	ZINC000322371578	385767922	/nfs/dbraw/zinc/76/79/22/385767922.db2.gz	ZPVXXSFTEHFBMG-UHFFFAOYSA-N	0	1	247.302	0.217	20	30		BCEDMN
C[C@H](C[S@@](C)=O)N(C)CCCC#N	ZINC000185115618	385719723	/nfs/dbraw/zinc/71/97/23/385719723.db2.gz	UNPHTEVXSQXVJS-NOZJJQNGSA-N	0	1	202.323	0.989	20	30		BCEDMN
CC1(C)CCCN(CC(=O)NCC#N)C1	ZINC000112702379	385857526	/nfs/dbraw/zinc/85/75/26/385857526.db2.gz	YCZWKLDGCIAWQQ-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@H]1CN(CCn2ccnc2)C[C@H](C)N1CC#N	ZINC000602854199	385828214	/nfs/dbraw/zinc/82/82/14/385828214.db2.gz	NXHIZNLEJUYHKU-STQMWFEESA-N	0	1	247.346	0.801	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)[C@H]1CCCN1C	ZINC000408396474	385942289	/nfs/dbraw/zinc/94/22/89/385942289.db2.gz	PNGLUPNTXSBOEH-KOLCDFICSA-N	0	1	225.292	0.125	20	30		BCEDMN
C[C@@H]1CO[C@@H](CO)CN1CCCCC#N	ZINC000088092316	386080019	/nfs/dbraw/zinc/08/00/19/386080019.db2.gz	KFCSHAYQKZSWDT-GHMZBOCLSA-N	0	1	212.293	0.762	20	30		BCEDMN
C[NH+](C)CCCNC(=O)c1ccc(C#N)c([O-])c1	ZINC000188211957	386309001	/nfs/dbraw/zinc/30/90/01/386309001.db2.gz	FFSSYCVLGGNYFV-UHFFFAOYSA-N	0	1	247.298	0.945	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N(C)CCN(C)C1CC1	ZINC000416467999	386313620	/nfs/dbraw/zinc/31/36/20/386313620.db2.gz	XDHHIVCQYUZVHK-VIFPVBQESA-N	0	1	245.348	0.254	20	30		BCEDMN
CC(C)N(CCN(C)C)S(=O)(=O)[C@@H](C)C#N	ZINC000416440725	386318620	/nfs/dbraw/zinc/31/86/20/386318620.db2.gz	TUQROJBJXJAUMG-JTQLQIEISA-N	0	1	247.364	0.500	20	30		BCEDMN
C=CCSCCNC(=O)N1CCN[C@@H](C)C1	ZINC000417347841	386487682	/nfs/dbraw/zinc/48/76/82/386487682.db2.gz	WYAMKTOUPCNSSC-JTQLQIEISA-N	0	1	243.376	0.909	20	30		BCEDMN
C=CCC[C@H](CO)NCc1nccn1C	ZINC000320786700	386490215	/nfs/dbraw/zinc/49/02/15/386490215.db2.gz	SJCHEQBHHYDVLS-SNVBAGLBSA-N	0	1	209.293	0.837	20	30		BCEDMN
C#CCNC(=O)[C@H]1CCCc2[nH]cnc21	ZINC000377734734	533173890	/nfs/dbraw/zinc/17/38/90/533173890.db2.gz	OPKOQLJARYQLLA-QMMMGPOBSA-N	0	1	203.245	0.579	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC(CO)CC1	ZINC000046091387	386508525	/nfs/dbraw/zinc/50/85/25/386508525.db2.gz	RXVLLOKMVWCAPM-SNVBAGLBSA-N	0	1	226.320	0.381	20	30		BCEDMN
C[C@@H]1CN(CCCCC#N)C[C@@H](C(N)=O)O1	ZINC000122858909	386522683	/nfs/dbraw/zinc/52/26/83/386522683.db2.gz	SXJXCYIHJURRIS-ZJUUUORDSA-N	0	1	225.292	0.255	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)C[C@H]1CC	ZINC000451725809	386458572	/nfs/dbraw/zinc/45/85/72/386458572.db2.gz	PHNSDRTUEAKBCO-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
CC#CCN(C)CCN1CCO[C@@H](C)C1	ZINC000339759238	386593786	/nfs/dbraw/zinc/59/37/86/386593786.db2.gz	XXCGMYJDRIWRGR-LBPRGKRZSA-N	0	1	210.321	0.662	20	30		BCEDMN
C[C@H](Cn1cccn1)[NH+]=C([O-])NCCCO	ZINC000330422365	386710283	/nfs/dbraw/zinc/71/02/83/386710283.db2.gz	YREOKSCHVGFBBC-SECBINFHSA-N	0	1	226.280	0.158	20	30		BCEDMN
C[C@H](Cn1cccn1)NC([O-])=[NH+]CCCO	ZINC000330422365	386710292	/nfs/dbraw/zinc/71/02/92/386710292.db2.gz	YREOKSCHVGFBBC-SECBINFHSA-N	0	1	226.280	0.158	20	30		BCEDMN
Cc1cc(C#N)ccc1CNC1(C(N)=O)CC1	ZINC000186324705	386704566	/nfs/dbraw/zinc/70/45/66/386704566.db2.gz	ASXDVMDYIKIJOH-UHFFFAOYSA-N	0	1	229.283	0.974	20	30		BCEDMN
C=CCOCCN1CCn2c(n[nH]c2=O)C1	ZINC000330442964	386739010	/nfs/dbraw/zinc/73/90/10/386739010.db2.gz	BHHMVWMDIMHGHT-UHFFFAOYSA-N	0	1	224.264	0.002	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000330468738	386724546	/nfs/dbraw/zinc/72/45/46/386724546.db2.gz	YYNGEPFJJZUOLD-IUCAKERBSA-N	0	1	247.302	0.718	20	30		BCEDMN
CC[C@@H](CC#N)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000330468738	386724554	/nfs/dbraw/zinc/72/45/54/386724554.db2.gz	YYNGEPFJJZUOLD-IUCAKERBSA-N	0	1	247.302	0.718	20	30		BCEDMN
CO[C@H]1C[C@@H](C(=O)NCCCC#N)N(C)C1	ZINC000330556204	386768880	/nfs/dbraw/zinc/76/88/80/386768880.db2.gz	GXYUDYAAZNWQNB-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1	ZINC000395364305	386823254	/nfs/dbraw/zinc/82/32/54/386823254.db2.gz	MQQJCUDYNBTNKC-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
CC#CCCNC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000330586088	386799897	/nfs/dbraw/zinc/79/98/97/386799897.db2.gz	SKZMQLOPUWOKAS-SECBINFHSA-N	0	1	232.287	0.439	20	30		BCEDMN
CC#CCCNC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000330586088	386799904	/nfs/dbraw/zinc/79/99/04/386799904.db2.gz	SKZMQLOPUWOKAS-SECBINFHSA-N	0	1	232.287	0.439	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@@H](C)CN(C)C	ZINC000344909721	386802043	/nfs/dbraw/zinc/80/20/43/386802043.db2.gz	MMWPFZSNLQVTMP-VIFPVBQESA-N	0	1	220.338	0.432	20	30		BCEDMN
C[C@@H](CO)N(C)C([O-])=[NH+]CCn1ccnc1	ZINC000330602048	386808352	/nfs/dbraw/zinc/80/83/52/386808352.db2.gz	ZWRSFCKIUVSXOM-VIFPVBQESA-N	0	1	226.280	0.110	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC[C@H](O)Cn1cccn1	ZINC000330802252	386891698	/nfs/dbraw/zinc/89/16/98/386891698.db2.gz	ARXQUAYMYCVOSX-SDDRHHMPSA-N	0	1	234.303	0.526	20	30		BCEDMN
Cc1cc(CC(=O)NCC(C)(C)C#N)[nH]n1	ZINC000330802826	386892134	/nfs/dbraw/zinc/89/21/34/386892134.db2.gz	IFDFREZVYQKMDK-UHFFFAOYSA-N	0	1	220.276	0.927	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC[C@H](O)Cn1cccn1	ZINC000330802253	386892193	/nfs/dbraw/zinc/89/21/93/386892193.db2.gz	ARXQUAYMYCVOSX-SRVKXCTJSA-N	0	1	234.303	0.526	20	30		BCEDMN
C[C@H](CN1CCOCC1)C(=O)NCCCC#N	ZINC000330797821	386890277	/nfs/dbraw/zinc/89/02/77/386890277.db2.gz	CDWSBCUMALJFHS-LLVKDONJSA-N	0	1	239.319	0.375	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NCCN1C(=O)CNC1=O	ZINC000330816224	386896962	/nfs/dbraw/zinc/89/69/62/386896962.db2.gz	GFMHECPBURKLKB-RKDXNWHRSA-N	0	1	236.275	0.024	20	30		BCEDMN
C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)CCN1	ZINC000334933018	387009099	/nfs/dbraw/zinc/00/90/99/387009099.db2.gz	VPTHBEAKHTUFFW-SNVBAGLBSA-N	0	1	238.335	0.930	20	30		BCEDMN
C[C@H](NC(=O)C1(C#N)CCC1)c1nnc[nH]1	ZINC000223783649	387280895	/nfs/dbraw/zinc/28/08/95/387280895.db2.gz	PUBYOZBYIHAFSM-ZETCQYMHSA-N	0	1	219.248	0.676	20	30		BCEDMN
N#CCC1(CN2CCOC[C@H](O)C2)CC1	ZINC000399890058	387330857	/nfs/dbraw/zinc/33/08/57/387330857.db2.gz	IZSNAESZADHPJD-SNVBAGLBSA-N	0	1	210.277	0.373	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CN1CC[C@@H](C)C1	ZINC000515867260	387436676	/nfs/dbraw/zinc/43/66/76/387436676.db2.gz	JWTHRCOSAKMHRZ-UTUOFQBUSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCCC(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000264519149	387390776	/nfs/dbraw/zinc/39/07/76/387390776.db2.gz	MPXVXEFHAJTFSG-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCCC(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000264519152	387391934	/nfs/dbraw/zinc/39/19/34/387391934.db2.gz	MPXVXEFHAJTFSG-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CCNC(=O)CNCc1ccc(C#N)c(F)c1	ZINC000404139847	387523323	/nfs/dbraw/zinc/52/33/23/387523323.db2.gz	ZUXUWGHYLQXLGU-UHFFFAOYSA-N	0	1	235.262	0.923	20	30		BCEDMN
CC#CCCNC(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000425749476	387527594	/nfs/dbraw/zinc/52/75/94/387527594.db2.gz	YOPBBZDJAHSLPD-JTQLQIEISA-N	0	1	247.302	0.717	20	30		BCEDMN
C=CCCOCCNC(=O)N1CCNCC1	ZINC000417969086	387528669	/nfs/dbraw/zinc/52/86/69/387528669.db2.gz	YRXKNKNUJIZIFF-UHFFFAOYSA-N	0	1	227.308	0.194	20	30		BCEDMN
C=CCNC(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000424061722	387474043	/nfs/dbraw/zinc/47/40/43/387474043.db2.gz	GAICSBIJWYNDAB-MRVPVSSYSA-N	0	1	221.264	0.490	20	30		BCEDMN
Cn1cc(CNCC(=O)NCC2CC2)cc1C#N	ZINC000191570763	387490029	/nfs/dbraw/zinc/49/00/29/387490029.db2.gz	PPXBPALCBYNANS-UHFFFAOYSA-N	0	1	246.314	0.513	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NCCN1CC=CCC1	ZINC000527520775	387591867	/nfs/dbraw/zinc/59/18/67/387591867.db2.gz	UETAIQVXPUDQDT-NSHDSACASA-N	0	1	236.319	0.707	20	30		BCEDMN
C=C(Cl)CN1CC[C@@]2(CNC(=O)C2)C1	ZINC000278939527	387560104	/nfs/dbraw/zinc/56/01/04/387560104.db2.gz	UIESXAHJQPBXSD-SNVBAGLBSA-N	0	1	214.696	0.951	20	30		BCEDMN
Cc1cc(N[C@H](C)c2nnc[nH]2)c(C#N)cn1	ZINC000399494949	387748939	/nfs/dbraw/zinc/74/89/39/387748939.db2.gz	JBAKUURULRYSOY-MRVPVSSYSA-N	0	1	228.259	0.975	20	30		BCEDMN
C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCO	ZINC000440960086	387715286	/nfs/dbraw/zinc/71/52/86/387715286.db2.gz	HIKIJIVIYYTHON-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCO	ZINC000440960083	387715983	/nfs/dbraw/zinc/71/59/83/387715983.db2.gz	HIKIJIVIYYTHON-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@@H](N)CC(=O)OC	ZINC000423203263	387989188	/nfs/dbraw/zinc/98/91/88/387989188.db2.gz	CCERSPCIAPYDIW-VIFPVBQESA-N	0	1	228.292	0.301	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)N2CCNCC2)C1	ZINC000424467220	388012528	/nfs/dbraw/zinc/01/25/28/388012528.db2.gz	MFHNQYBJCWRBCQ-VHSXEESVSA-N	0	1	222.292	0.293	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCC[C@H]2CCOC2)c1=O	ZINC000592354423	388157281	/nfs/dbraw/zinc/15/72/81/388157281.db2.gz	WGXJOXTZDAHJHU-VIFPVBQESA-N	0	1	249.270	0.225	20	30		BCEDMN
CC[C@@H](C)N(CC(=O)OC)C(=O)C(C)C#N	ZINC000456062012	388172409	/nfs/dbraw/zinc/17/24/09/388172409.db2.gz	GNRPPLZJZSCPTJ-DTWKUNHWSA-N	0	1	226.276	0.946	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CCc1cnc[nH]1	ZINC000490739579	388250739	/nfs/dbraw/zinc/25/07/39/388250739.db2.gz	JFHUWRLEQJVVJU-SECBINFHSA-N	0	1	205.261	0.822	20	30		BCEDMN
C#CC(C)(C)NC(=O)CCc1nc[nH]n1	ZINC000490779535	388254311	/nfs/dbraw/zinc/25/43/11/388254311.db2.gz	XVXNSFJHWDARMD-UHFFFAOYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)CN(C)C	ZINC000456266692	388190059	/nfs/dbraw/zinc/19/00/59/388190059.db2.gz	QDGWXSZPKBCWLN-ZJUUUORDSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCCCS(=O)(=O)NC[C@H]1CCCN1C	ZINC000489118750	388204117	/nfs/dbraw/zinc/20/41/17/388204117.db2.gz	VGZWTLDONTXASQ-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
C#CCN(CC#CC)CCCN1CCOCC1	ZINC000490698454	388248201	/nfs/dbraw/zinc/24/82/01/388248201.db2.gz	NHRKTCIBYVLKGK-UHFFFAOYSA-N	0	1	234.343	0.667	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN1C	ZINC000491286195	388282625	/nfs/dbraw/zinc/28/26/25/388282625.db2.gz	HAGOJZHNFSSUDV-QWRGUYRKSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN(C)CCCNC(=O)C1(C(C)=O)CC1	ZINC000491348032	388287095	/nfs/dbraw/zinc/28/70/95/388287095.db2.gz	BMUSWELJMOSZSW-UHFFFAOYSA-N	0	1	236.315	0.427	20	30		BCEDMN
C#CCN(CC#C)CC[C@H]1CCNC1=O	ZINC000491361933	388288238	/nfs/dbraw/zinc/28/82/38/388288238.db2.gz	OHTHYDMKTANMLZ-LLVKDONJSA-N	0	1	204.273	0.081	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000491384119	388290819	/nfs/dbraw/zinc/29/08/19/388290819.db2.gz	NNHHESIJOMJQCJ-NWDGAFQWSA-N	0	1	238.331	0.435	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CC(C)=C[C@@H](C)C2)C1=O	ZINC000491427320	388293732	/nfs/dbraw/zinc/29/37/32/388293732.db2.gz	KHDOGVWVUMGORO-ZYHUDNBSSA-N	0	1	246.310	0.645	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@@H](C)N1CC(C)C1	ZINC000491484740	388295320	/nfs/dbraw/zinc/29/53/20/388295320.db2.gz	KTEMTFISESKMSN-WDEREUQCSA-N	0	1	208.305	0.807	20	30		BCEDMN
C#CCNC(=O)CCNCc1cc(CC)no1	ZINC000491486120	388296889	/nfs/dbraw/zinc/29/68/89/388296889.db2.gz	UFTZOWQRSXVJSQ-UHFFFAOYSA-N	0	1	235.287	0.466	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@H](C)C#C)CC1	ZINC000491515505	388300040	/nfs/dbraw/zinc/30/00/40/388300040.db2.gz	NYEBJGMXQWYEON-GFCCVEGCSA-N	0	1	232.327	0.812	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(C)cc1	ZINC000491525631	388301455	/nfs/dbraw/zinc/30/14/55/388301455.db2.gz	TYGRKXGROWDYAM-OLZOCXBDSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#CCN(CC#CC)C[C@H]1CCCNC1=O	ZINC000491542526	388302444	/nfs/dbraw/zinc/30/24/44/388302444.db2.gz	APVAMGUCRCIJDX-GFCCVEGCSA-N	0	1	218.300	0.471	20	30		BCEDMN
C#C[C@@H](C)N(C)c1ncnc2[nH]cnc21	ZINC000491567474	388304214	/nfs/dbraw/zinc/30/42/14/388304214.db2.gz	LGMJIGSTHIKRIK-SSDOTTSWSA-N	0	1	201.233	0.811	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccn(CC)n1	ZINC000491652241	388308192	/nfs/dbraw/zinc/30/81/92/388308192.db2.gz	AONCFUWCFRKDIC-UHFFFAOYSA-N	0	1	234.303	0.132	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1nc[nH]n1)C(C)(C)C	ZINC000491680086	388310509	/nfs/dbraw/zinc/31/05/09/388310509.db2.gz	HUPRVHKSHRPKRN-VIFPVBQESA-N	0	1	234.303	0.901	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccccc1C	ZINC000491691141	388311132	/nfs/dbraw/zinc/31/11/32/388311132.db2.gz	DERULLHHFYTANU-DGCLKSJQSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#C[C@H](NC(=O)NCCN1CCC1)C(C)C	ZINC000491736622	388316387	/nfs/dbraw/zinc/31/63/87/388316387.db2.gz	UUGNTXSLYRVITC-NSHDSACASA-N	0	1	223.320	0.649	20	30		BCEDMN
C#CCN(CC)C(=O)[C@@H](C)N1CC(C)C1	ZINC000491751216	388317971	/nfs/dbraw/zinc/31/79/71/388317971.db2.gz	KBFUYAIUZKWOOG-LLVKDONJSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)COc1ccccc1C	ZINC000491778519	388320247	/nfs/dbraw/zinc/32/02/47/388320247.db2.gz	YJMMHRVKPQZGEN-CHWSQXEVSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCN(C(=O)[C@@H](C)N1CC(C)C1)C1CC1	ZINC000491804555	388321735	/nfs/dbraw/zinc/32/17/35/388321735.db2.gz	LYHDOAAONYZZIE-LLVKDONJSA-N	0	1	220.316	0.951	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000491818674	388323655	/nfs/dbraw/zinc/32/36/55/388323655.db2.gz	ZHVOHTPHLHHLBW-NSHDSACASA-N	0	1	223.320	0.601	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2[C@H](C)C[C@H]2C)CC1	ZINC000491039368	388266467	/nfs/dbraw/zinc/26/64/67/388266467.db2.gz	OERIEDLEMNTSBV-CHWSQXEVSA-N	0	1	249.358	0.247	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)C1=CCOCC1	ZINC000491103016	388269375	/nfs/dbraw/zinc/26/93/75/388269375.db2.gz	NUTXKJVONZUBCG-CYBMUJFWSA-N	0	1	249.310	0.974	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000491121440	388270891	/nfs/dbraw/zinc/27/08/91/388270891.db2.gz	QYBPQRGGHSGENE-NEPJUHHUSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCNC(=O)CC[N@@H+]1C[C@@H](CC)O[C@@H](C)C1	ZINC000491120788	388271024	/nfs/dbraw/zinc/27/10/24/388271024.db2.gz	NTVHCEJJMRSCAR-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(CC)C[C@@H]1CCCO1	ZINC000491166900	388274367	/nfs/dbraw/zinc/27/43/67/388274367.db2.gz	VCKMCJIKZMEIFC-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CC(C)(C)N(C)C[C@H]1CN(C)C(=O)O1	ZINC000491201754	388276846	/nfs/dbraw/zinc/27/68/46/388276846.db2.gz	JCSLOSACRHMKFK-SECBINFHSA-N	0	1	210.277	0.781	20	30		BCEDMN
CC#CCCNC(=O)[C@H](C)N1CC(C)C1	ZINC000572733699	388371789	/nfs/dbraw/zinc/37/17/89/388371789.db2.gz	JQPUIJFJFKLSNZ-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccc(C#N)nc3)C[C@@H]21	ZINC000153151615	388378000	/nfs/dbraw/zinc/37/80/00/388378000.db2.gz	JRSMKXYDZZNNAJ-STQMWFEESA-N	0	1	244.298	0.472	20	30		BCEDMN
COC(=O)C1CCN(CCOCCC#N)CC1	ZINC000338911444	388476411	/nfs/dbraw/zinc/47/64/11/388476411.db2.gz	UEGHKSWSTKYCTC-UHFFFAOYSA-N	0	1	240.303	0.802	20	30		BCEDMN
N#Cc1cccc(CN2C[C@H](O)C[C@H]2CO)c1	ZINC000245648101	388426792	/nfs/dbraw/zinc/42/67/92/388426792.db2.gz	BTIJTDIBSMYGPQ-QWHCGFSZSA-N	0	1	232.283	0.486	20	30		BCEDMN
C[C@@H](C[S@](C)=O)[N@@H+](C)CCOCCC#N	ZINC000339083423	388479735	/nfs/dbraw/zinc/47/97/35/388479735.db2.gz	JEOQIVCQAXGAPA-BONVTDFDSA-N	0	1	232.349	0.615	20	30		BCEDMN
C[C@@H](C[S@](C)=O)N(C)CCOCCC#N	ZINC000339083423	388479737	/nfs/dbraw/zinc/47/97/37/388479737.db2.gz	JEOQIVCQAXGAPA-BONVTDFDSA-N	0	1	232.349	0.615	20	30		BCEDMN
CCN(CC(=O)N[C@@]1(C#N)CCOC1)C1CC1	ZINC000548140188	388517220	/nfs/dbraw/zinc/51/72/20/388517220.db2.gz	RBGFIECKTNORST-GFCCVEGCSA-N	0	1	237.303	0.270	20	30		BCEDMN
N#Cc1cc(C(=O)NCCCc2nc[nH]n2)c[nH]1	ZINC000549797345	388591372	/nfs/dbraw/zinc/59/13/72/388591372.db2.gz	XZWSUQMXHQCGSP-UHFFFAOYSA-N	0	1	244.258	0.367	20	30		BCEDMN
C=C[C@H](O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000530026444	388605954	/nfs/dbraw/zinc/60/59/54/388605954.db2.gz	IPABDHBMYLDWDZ-NEPJUHHUSA-N	0	1	238.331	0.666	20	30		BCEDMN
CC(C)c1nc(CNc2ccnc(C#N)n2)n[nH]1	ZINC000520839729	388670311	/nfs/dbraw/zinc/67/03/11/388670311.db2.gz	QKSXWMPLPDDPOU-UHFFFAOYSA-N	0	1	243.274	0.624	20	30		BCEDMN
C#CC[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1	ZINC000192224628	388676327	/nfs/dbraw/zinc/67/63/27/388676327.db2.gz	RPHAOLIXLARALA-RYUDHWBXSA-N	0	1	227.304	0.108	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000538227429	388681427	/nfs/dbraw/zinc/68/14/27/388681427.db2.gz	TYOARUTXFXZCCL-MRVPVSSYSA-N	0	1	248.290	0.455	20	30		BCEDMN
C=C(C)CN(CC)[C@H](C)C(=O)NCC(=O)OC	ZINC000125950368	388683421	/nfs/dbraw/zinc/68/34/21/388683421.db2.gz	QXWFYDNCXVRJBQ-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C#CCN(C)C(=O)c1cccc2nn[nH]c21	ZINC000191036118	388659611	/nfs/dbraw/zinc/65/96/11/388659611.db2.gz	PGKYWAOHIQTRRR-UHFFFAOYSA-N	0	1	214.228	0.663	20	30		BCEDMN
N#Cc1ccc(CN[C@]2(CCO)CCOC2)o1	ZINC000447067541	388734988	/nfs/dbraw/zinc/73/49/88/388734988.db2.gz	INUFARBPMQDWRU-GFCCVEGCSA-N	0	1	236.271	0.782	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1cnc(C#N)cn1	ZINC000555241830	388744828	/nfs/dbraw/zinc/74/48/28/388744828.db2.gz	VCWGQNZYTRIACA-NSHDSACASA-N	0	1	231.303	0.879	20	30		BCEDMN
N#Cc1cccc(CC(=O)NCCN2CCC2)c1	ZINC000533108027	388723581	/nfs/dbraw/zinc/72/35/81/388723581.db2.gz	VAFJAELZUWMGSA-UHFFFAOYSA-N	0	1	243.310	0.923	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000649183157	388895279	/nfs/dbraw/zinc/89/52/79/388895279.db2.gz	NFZRLAFSPYWNOC-VXGBXAGGSA-N	0	1	238.331	0.361	20	30		BCEDMN
CC(C)COC[C@@H](O)CNC[C@H](C)C#N	ZINC000564857765	388895988	/nfs/dbraw/zinc/89/59/88/388895988.db2.gz	YBFJEQBAHOEIEX-MNOVXSKESA-N	0	1	214.309	0.769	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)Cc1cc(C)n[nH]1	ZINC000649186416	388897297	/nfs/dbraw/zinc/89/72/97/388897297.db2.gz	YSPCYXVSEMPEEY-SNVBAGLBSA-N	0	1	235.287	0.151	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)c1[nH]nc(C)c1C	ZINC000649187035	388898963	/nfs/dbraw/zinc/89/89/63/388898963.db2.gz	IRGOVNWASKVZQE-SNVBAGLBSA-N	0	1	235.287	0.531	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000649189568	388901640	/nfs/dbraw/zinc/90/16/40/388901640.db2.gz	IGKDHYMKHWCLDM-VIFPVBQESA-N	0	1	247.298	0.403	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1ccncc1	ZINC000272782986	389035299	/nfs/dbraw/zinc/03/52/99/389035299.db2.gz	AVNRPTKNTOLRGW-UHFFFAOYSA-N	0	1	240.328	0.772	20	30		BCEDMN
N#Cc1ccc(N2CCN(CCO)CC2)cc1	ZINC000035151494	132337848	/nfs/dbraw/zinc/33/78/48/132337848.db2.gz	HPWKIWNIMBMXFU-UHFFFAOYSA-N	0	1	231.299	0.673	20	30		BCEDMN
N#Cc1ccc(N2CCN(CCCO)CC2)nc1	ZINC000052442369	132362113	/nfs/dbraw/zinc/36/21/13/132362113.db2.gz	SCCPPGONJSFHQX-UHFFFAOYSA-N	0	1	246.314	0.458	20	30		BCEDMN
C[C@@H](CNS(=O)(=O)CCC#N)N(C)C1CC1	ZINC000331797731	134002466	/nfs/dbraw/zinc/00/24/66/134002466.db2.gz	WMXVRNIZEGKWLJ-VIFPVBQESA-N	0	1	245.348	0.302	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000330416907	134061143	/nfs/dbraw/zinc/06/11/43/134061143.db2.gz	ODSBPIFLEVNTRK-LBPRGKRZSA-N	0	1	248.330	0.984	20	30		BCEDMN
COC(=O)CN(C(=O)C(C)C#N)C1CC1	ZINC000352211777	134108053	/nfs/dbraw/zinc/10/80/53/134108053.db2.gz	VGSXVEOXXYBQNY-ZETCQYMHSA-N	0	1	210.233	0.310	20	30		BCEDMN
Cn1c(C#N)ccc1C(=O)N1CCNC(C)(C)C1	ZINC000336198882	134128282	/nfs/dbraw/zinc/12/82/82/134128282.db2.gz	DVXBPWPPHDYBNJ-UHFFFAOYSA-N	0	1	246.314	0.721	20	30		BCEDMN
CCN1C[C@H](C)N(C(=O)CC#N)C[C@H]1C	ZINC000336347888	134144300	/nfs/dbraw/zinc/14/43/00/134144300.db2.gz	PEOYDDLFVTYAPN-ZJUUUORDSA-N	0	1	209.293	0.841	20	30		BCEDMN
C[C@H](CN(C)C(=O)C(C)(C)C#N)c1nn[nH]n1	ZINC000352472542	134146192	/nfs/dbraw/zinc/14/61/92/134146192.db2.gz	GTAHUXROAXWION-SSDOTTSWSA-N	0	1	236.279	0.311	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCC(C)(O)CC2)C1=O	ZINC000336613755	134151393	/nfs/dbraw/zinc/15/13/93/134151393.db2.gz	LFKSTXPPMLSAPH-LLVKDONJSA-N	0	1	238.331	0.620	20	30		BCEDMN
C=CCC[C@H](O)CN1CCNC(=O)[C@@H]1C(C)C	ZINC000305078914	134160096	/nfs/dbraw/zinc/16/00/96/134160096.db2.gz	LXCUQBLXNYDLCO-RYUDHWBXSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000354962095	134170804	/nfs/dbraw/zinc/17/08/04/134170804.db2.gz	VUFYZKFKJNTTLY-XVKPBYJWSA-N	0	1	224.264	0.309	20	30		BCEDMN
N#CCN(CC#N)C(=O)c1ccc2[nH]nnc2c1	ZINC000355708877	134174831	/nfs/dbraw/zinc/17/48/31/134174831.db2.gz	JTVAGZAYAJPJBU-UHFFFAOYSA-N	0	1	240.226	0.447	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000357049024	134182050	/nfs/dbraw/zinc/18/20/50/134182050.db2.gz	GTJITYHRYCTNCY-QMMMGPOBSA-N	0	1	235.291	0.907	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)CCc1cnc[nH]1	ZINC000357608582	134184474	/nfs/dbraw/zinc/18/44/74/134184474.db2.gz	QICVDVZKOLPUNJ-UHFFFAOYSA-N	0	1	245.286	0.998	20	30		BCEDMN
C=CCOC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000360727211	134201972	/nfs/dbraw/zinc/20/19/72/134201972.db2.gz	VBLHRAJDGLLYBR-BDAKNGLRSA-N	0	1	240.259	0.006	20	30		BCEDMN
CCN(CCCO)CC(=O)N(CC)CCC#N	ZINC000361455053	134205467	/nfs/dbraw/zinc/20/54/67/134205467.db2.gz	YPBAJZVVEPRKIQ-UHFFFAOYSA-N	0	1	241.335	0.453	20	30		BCEDMN
C#CCOCCC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000371055331	134227330	/nfs/dbraw/zinc/22/73/30/134227330.db2.gz	QUPPALJTLJGDGI-LLVKDONJSA-N	0	1	247.298	0.943	20	30		BCEDMN
C#CCCN1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000371209497	134227796	/nfs/dbraw/zinc/22/77/96/134227796.db2.gz	URYMTGPEZFZNTE-RYUDHWBXSA-N	0	1	209.289	0.890	20	30		BCEDMN
CCN(CCO)CC(=O)N(CC)C[C@@H](C)C#N	ZINC000123067803	134242383	/nfs/dbraw/zinc/24/23/83/134242383.db2.gz	YFTZRFOZXAKVTL-NSHDSACASA-N	0	1	241.335	0.309	20	30		BCEDMN
C#CCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000378125083	134245383	/nfs/dbraw/zinc/24/53/83/134245383.db2.gz	BXNUETYRCASIKB-SNVBAGLBSA-N	0	1	246.314	0.980	20	30		BCEDMN
COC(=O)CN(CC#N)Cc1n[nH]c(C2CC2)n1	ZINC000180425834	134327273	/nfs/dbraw/zinc/32/72/73/134327273.db2.gz	FOJAIBLZLWUXMU-UHFFFAOYSA-N	0	1	249.274	0.181	20	30		BCEDMN
C=CCNC(=O)CNc1ncnc2[nH]cnc21	ZINC000302022863	134855356	/nfs/dbraw/zinc/85/53/56/134855356.db2.gz	GIQLXOIZMJGMRR-UHFFFAOYSA-N	0	1	232.247	0.067	20	30		BCEDMN
COC[C@@](C)(CCO)NCC1(C#N)CC1	ZINC000336755724	134935176	/nfs/dbraw/zinc/93/51/76/134935176.db2.gz	IFPBLBCCKQZTLT-SNVBAGLBSA-N	0	1	212.293	0.667	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@H](C)[C@@H](O)C2)C1=O	ZINC000337170749	135003229	/nfs/dbraw/zinc/00/32/29/135003229.db2.gz	DDAAIHOADSYMLQ-SRVKXCTJSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@@H](C)[C@H](O)C2)C1=O	ZINC000337170747	135003263	/nfs/dbraw/zinc/00/32/63/135003263.db2.gz	DDAAIHOADSYMLQ-GRYCIOLGSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@@H](C)[C@@H](O)C2)C1=O	ZINC000337170750	135003298	/nfs/dbraw/zinc/00/32/98/135003298.db2.gz	DDAAIHOADSYMLQ-WOPDTQHZSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)Cc2cnc[nH]2)C1=O	ZINC000337237221	135009625	/nfs/dbraw/zinc/00/96/25/135009625.db2.gz	YKXRTGVASAYYCI-LLVKDONJSA-N	0	1	234.303	0.628	20	30		BCEDMN
N#CCCCCN1C[C@@H]2COC[C@H](C1)O2	ZINC000338382518	135035877	/nfs/dbraw/zinc/03/58/77/135035877.db2.gz	NMWMTRIYYIKBGZ-PHIMTYICSA-N	0	1	210.277	0.780	20	30		BCEDMN
CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCN(C)C1=O	ZINC000339002138	135050883	/nfs/dbraw/zinc/05/08/83/135050883.db2.gz	XHBKEPYPDXYUQC-MXWKQRLJSA-N	0	1	221.304	0.841	20	30		BCEDMN
CN(CCOCCC#N)[C@H]1CCN(C)C1=O	ZINC000339001837	135051083	/nfs/dbraw/zinc/05/10/83/135051083.db2.gz	SJKAITZOMREWJW-JTQLQIEISA-N	0	1	225.292	0.079	20	30		BCEDMN
CN([C@H]1CC[C@H](C#N)C1)[C@H]1CCN(C)C1=O	ZINC000339002137	135051241	/nfs/dbraw/zinc/05/12/41/135051241.db2.gz	XHBKEPYPDXYUQC-DCAQKATOSA-N	0	1	221.304	0.841	20	30		BCEDMN
C=CCOCC[N@@H+]1CCN(C[C@H](C)O)C[C@H]1C	ZINC000339090064	135057861	/nfs/dbraw/zinc/05/78/61/135057861.db2.gz	BAJFAKAWVHFAHQ-OLZOCXBDSA-N	0	1	242.363	0.576	20	30		BCEDMN
N#C[C@H]1CC[C@H](N2CCc3n[nH]nc3C2)C1	ZINC000339120000	135059619	/nfs/dbraw/zinc/05/96/19/135059619.db2.gz	VXBWTIDQZMVUDW-IUCAKERBSA-N	0	1	217.276	0.855	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1ccc(CN(C)C)nc1	ZINC000339254947	135068514	/nfs/dbraw/zinc/06/85/14/135068514.db2.gz	NXBFQYSZZUOUDG-VIFPVBQESA-N	0	1	232.287	0.785	20	30		BCEDMN
C[C@@H](O)CCN(C)CC(=O)NC1(C#N)CCC1	ZINC000332066178	135079405	/nfs/dbraw/zinc/07/94/05/135079405.db2.gz	RXWFRMPBKRXLCU-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
CC#CCN(C)CCN1CCOC[C@H]1C	ZINC000339751240	135080422	/nfs/dbraw/zinc/08/04/22/135080422.db2.gz	JTTZQSWSOQLWMF-GFCCVEGCSA-N	0	1	210.321	0.662	20	30		BCEDMN
CC#CCN(C)CCN1CCOC[C@@H]1C	ZINC000339751241	135080493	/nfs/dbraw/zinc/08/04/93/135080493.db2.gz	JTTZQSWSOQLWMF-LBPRGKRZSA-N	0	1	210.321	0.662	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@H]1CCCN1C	ZINC000259795486	135105432	/nfs/dbraw/zinc/10/54/32/135105432.db2.gz	BUNPPAHQQFRJFV-NXEZZACHSA-N	0	1	209.293	0.841	20	30		BCEDMN
CO[C@H](C)CN1CCCC[C@H]1C(N)=NO	ZINC000252830719	135111785	/nfs/dbraw/zinc/11/17/85/135111785.db2.gz	XVPLKQYHJFIBBZ-BDAKNGLRSA-N	0	1	215.297	0.622	20	30		BCEDMN
C[C@@H](CO)N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000253624871	135127619	/nfs/dbraw/zinc/12/76/19/135127619.db2.gz	XOWQLBHGAMKYSZ-JOYOIKCWSA-N	0	1	239.319	0.107	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1C	ZINC000259960088	135146212	/nfs/dbraw/zinc/14/62/12/135146212.db2.gz	LOVOGKXARIDROI-VHSXEESVSA-N	0	1	209.293	0.699	20	30		BCEDMN
C[C@H](C#N)NC(=O)c1ccc2[nH]nnc2c1	ZINC000340436284	135182891	/nfs/dbraw/zinc/18/28/91/135182891.db2.gz	FAWUIKFBIZTACT-ZCFIWIBFSA-N	0	1	215.216	0.600	20	30		BCEDMN
C#Cc1ccc(CN2CC(C(=O)NC)C2)cc1	ZINC000297412797	135195255	/nfs/dbraw/zinc/19/52/55/135195255.db2.gz	MPHMQCGYUNSLLW-UHFFFAOYSA-N	0	1	228.295	0.846	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N[C@H](C)C1	ZINC000261558182	135198360	/nfs/dbraw/zinc/19/83/60/135198360.db2.gz	XYNWOWHNDMGEPN-NXEZZACHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000261558181	135198839	/nfs/dbraw/zinc/19/88/39/135198839.db2.gz	XYNWOWHNDMGEPN-AOOOYVTPSA-N	0	1	212.293	0.398	20	30		BCEDMN
COC(=O)[C@H]1CCCN1C(=O)C(C)C#N	ZINC000044822751	135226565	/nfs/dbraw/zinc/22/65/65/135226565.db2.gz	UQDMEVQSJLOPAF-HTQZYQBOSA-N	0	1	210.233	0.310	20	30		BCEDMN
C=CC[C@@H](CO)CNc1ncnc2[nH]cnc21	ZINC000340905591	135231403	/nfs/dbraw/zinc/23/14/03/135231403.db2.gz	YYVXSUZEZSXTJI-MRVPVSSYSA-N	0	1	233.275	0.901	20	30		BCEDMN
CN(C)C1CN(C(=O)CSCC#N)C1	ZINC000342143064	135250481	/nfs/dbraw/zinc/25/04/81/135250481.db2.gz	VPLHKYFSLVGCDN-UHFFFAOYSA-N	0	1	213.306	0.016	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)Cc1cc(C)n[nH]1	ZINC000342211342	135252925	/nfs/dbraw/zinc/25/29/25/135252925.db2.gz	OEODODCDGLWOJD-SNVBAGLBSA-N	0	1	237.303	0.561	20	30		BCEDMN
C=CCCN(C)CC(=O)N[C@@H](C)C(=O)N(C)C	ZINC000342717303	135313936	/nfs/dbraw/zinc/31/39/36/135313936.db2.gz	FDSPDUHKBJCTAC-JTQLQIEISA-N	0	1	241.335	0.087	20	30		BCEDMN
Cc1nnc(SCCC(=O)N(C)CC#N)[nH]1	ZINC000342730267	135315961	/nfs/dbraw/zinc/31/59/61/135315961.db2.gz	JGXVQDRMLFKQNY-UHFFFAOYSA-N	0	1	239.304	0.577	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(C(=O)OC)[nH]1	ZINC000291503127	135375350	/nfs/dbraw/zinc/37/53/50/135375350.db2.gz	HPSZPVNJFFNMDE-MRVPVSSYSA-N	0	1	224.260	0.438	20	30		BCEDMN
N#CC1(C(=O)NCCc2nc[nH]n2)CCCCC1	ZINC000080626667	135382863	/nfs/dbraw/zinc/38/28/63/135382863.db2.gz	IXMKTRFCBKSIES-UHFFFAOYSA-N	0	1	247.302	0.937	20	30		BCEDMN
N#CCC1(CNC(=O)c2ncn[nH]2)CC1	ZINC000331913168	135396250	/nfs/dbraw/zinc/39/62/50/135396250.db2.gz	OWHADZSYCKUUTD-UHFFFAOYSA-N	0	1	205.221	0.228	20	30		BCEDMN
N#CCC1(CNC(=O)c2nc[nH]n2)CC1	ZINC000331913168	135396251	/nfs/dbraw/zinc/39/62/51/135396251.db2.gz	OWHADZSYCKUUTD-UHFFFAOYSA-N	0	1	205.221	0.228	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000285302210	135556442	/nfs/dbraw/zinc/55/64/42/135556442.db2.gz	HHENBYWWLIMZGJ-SSDOTTSWSA-N	0	1	244.320	0.670	20	30		BCEDMN
CC(C)OC(=O)[C@@H](C)N(C)C(=O)C(C)C#N	ZINC000347889034	136015342	/nfs/dbraw/zinc/01/53/42/136015342.db2.gz	JCXNUCSQMTVJIO-RKDXNWHRSA-N	0	1	226.276	0.945	20	30		BCEDMN
C=CCOCCCN1C[C@H](CO)O[C@@H](C)C1	ZINC000348192809	136049473	/nfs/dbraw/zinc/04/94/73/136049473.db2.gz	JGCSWIQQCLJHRV-NWDGAFQWSA-N	0	1	229.320	0.661	20	30		BCEDMN
CCc1nc(C#N)cc(NCc2nnc[nH]2)n1	ZINC000308270479	397828392	/nfs/dbraw/zinc/82/83/92/397828392.db2.gz	WSCMQNPQCXLXAB-UHFFFAOYSA-N	0	1	229.247	0.641	20	30		BCEDMN
Cn1nncc1CN[C@H]1CC[C@H](C#N)C1	ZINC000308914447	397843089	/nfs/dbraw/zinc/84/30/89/397843089.db2.gz	GQLHVKKFEIODMS-IUCAKERBSA-N	0	1	205.265	0.597	20	30		BCEDMN
Cn1nncc1CN[C@@H]1CC[C@@H](C#N)C1	ZINC000308914448	397843148	/nfs/dbraw/zinc/84/31/48/397843148.db2.gz	GQLHVKKFEIODMS-RKDXNWHRSA-N	0	1	205.265	0.597	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@@H](O)[C@H]1C	ZINC000650187087	397967753	/nfs/dbraw/zinc/96/77/53/397967753.db2.gz	RATYDBKRBFYSQD-VXGBXAGGSA-N	0	1	238.331	0.642	20	30		BCEDMN
CCc1cc(C(=O)N2CC(C#N)C2)n[nH]1	ZINC000590491222	397896474	/nfs/dbraw/zinc/89/64/74/397896474.db2.gz	WNWQQGQWTPBUDZ-UHFFFAOYSA-N	0	1	204.233	0.568	20	30		BCEDMN
C[C@H](CC#N)NCCN1C[C@H]2CC[C@@H](C1)O2	ZINC000590800520	397915986	/nfs/dbraw/zinc/91/59/86/397915986.db2.gz	YVSBZUJMUNDWBL-UTUOFQBUSA-N	0	1	223.320	0.741	20	30		BCEDMN
CN([C@@H]1CCCN(C)C1)S(=O)(=O)CCC#N	ZINC000408194321	398016047	/nfs/dbraw/zinc/01/60/47/398016047.db2.gz	XOOQMVJMNBNHSN-SNVBAGLBSA-N	0	1	245.348	0.256	20	30		BCEDMN
C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000491266644	398035387	/nfs/dbraw/zinc/03/53/87/398035387.db2.gz	QBSXAUGWVIGNLM-RKDXNWHRSA-N	0	1	208.217	0.276	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1ncnn1C	ZINC000320185288	397969713	/nfs/dbraw/zinc/96/97/13/397969713.db2.gz	AGNQAXXVEFHZDT-VIFPVBQESA-N	0	1	210.281	0.232	20	30		BCEDMN
CN1CCC(NS(=O)(=O)CCCC#N)CC1	ZINC000408169302	397971631	/nfs/dbraw/zinc/97/16/31/397971631.db2.gz	MWEQBYJWMYBFSN-UHFFFAOYSA-N	0	1	245.348	0.304	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000259691096	397987360	/nfs/dbraw/zinc/98/73/60/397987360.db2.gz	AVABFTZIASWABI-HBNTYKKESA-N	0	1	221.304	0.889	20	30		BCEDMN
COCC#CCN(C)[C@@H]1CCN2CCO[C@H]1C2	ZINC000649707689	398054976	/nfs/dbraw/zinc/05/49/76/398054976.db2.gz	CCRWSJAMWFPTPN-OLZOCXBDSA-N	0	1	238.331	0.041	20	30		BCEDMN
C#CCCOc1ccc(CNCC(=O)NC)cc1	ZINC000264978884	166150830	/nfs/dbraw/zinc/15/08/30/166150830.db2.gz	SXHNQNYNYLLWGU-UHFFFAOYSA-N	0	1	246.310	0.924	20	30		BCEDMN
C#CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1	ZINC000279310955	166157391	/nfs/dbraw/zinc/15/73/91/166157391.db2.gz	NHPSRMHYTVXOFG-LLVKDONJSA-N	0	1	206.289	0.705	20	30		BCEDMN
C#CCCCC(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000277410727	166117596	/nfs/dbraw/zinc/11/75/96/166117596.db2.gz	TYNJKJSSYBEBRP-SECBINFHSA-N	0	1	235.291	0.565	20	30		BCEDMN
C#CCCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000277410727	166117598	/nfs/dbraw/zinc/11/75/98/166117598.db2.gz	TYNJKJSSYBEBRP-SECBINFHSA-N	0	1	235.291	0.565	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000680464186	487599800	/nfs/dbraw/zinc/59/98/00/487599800.db2.gz	XZVWYWGDRQSSOT-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCCN1CCN(Cc2nccc(N)n2)CC1	ZINC000272039900	166137582	/nfs/dbraw/zinc/13/75/82/166137582.db2.gz	QWFCSBWUXZYLPP-UHFFFAOYSA-N	0	1	245.330	0.200	20	30		BCEDMN
C#CCCNC(=O)CSc1nnc(C)[nH]1	ZINC000266830875	166139326	/nfs/dbraw/zinc/13/93/26/166139326.db2.gz	KWJIZYGJQRGNLC-UHFFFAOYSA-N	0	1	224.289	0.345	20	30		BCEDMN
C#CCCNC(=O)CSc1nc(C)n[nH]1	ZINC000266830875	166139329	/nfs/dbraw/zinc/13/93/29/166139329.db2.gz	KWJIZYGJQRGNLC-UHFFFAOYSA-N	0	1	224.289	0.345	20	30		BCEDMN
N#CCC[N@H+](C[C@H](O)Cn1cccn1)CC1CC1	ZINC000081514670	410076330	/nfs/dbraw/zinc/07/63/30/410076330.db2.gz	ILXITSPXWKULLW-ZDUSSCGKSA-N	0	1	248.330	0.870	20	30		BCEDMN
N#CCCN(C[C@H](O)Cn1cccn1)CC1CC1	ZINC000081514670	410076340	/nfs/dbraw/zinc/07/63/40/410076340.db2.gz	ILXITSPXWKULLW-ZDUSSCGKSA-N	0	1	248.330	0.870	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1CCCN1C	ZINC000267691656	166162888	/nfs/dbraw/zinc/16/28/88/166162888.db2.gz	RNLSTBJSIJKVKU-NSHDSACASA-N	0	1	204.273	0.176	20	30		BCEDMN
C#C[C@@H](C)NCc1cc(C(N)=O)cs1	ZINC000166528451	166211907	/nfs/dbraw/zinc/21/19/07/166211907.db2.gz	RJWMDXQRJPYYPT-SSDOTTSWSA-N	0	1	208.286	0.958	20	30		BCEDMN
C=CCCCN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O	ZINC000359155754	166234190	/nfs/dbraw/zinc/23/41/90/166234190.db2.gz	CFUOZJXLRHILSG-SNVBAGLBSA-N	0	1	248.286	0.839	20	30		BCEDMN
C=CCCCN1CCN(C(=O)[C@@H](C)O)CC1	ZINC000270846746	166235300	/nfs/dbraw/zinc/23/53/00/166235300.db2.gz	GYZHMILCDJGSDT-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCCN1CCSC[C@@H]1C(N)=O	ZINC000271635829	166263316	/nfs/dbraw/zinc/26/33/16/166263316.db2.gz	ZATJYOOBOHPHID-MRVPVSSYSA-N	0	1	200.307	0.465	20	30		BCEDMN
C=CCCOCCNC(=O)c1cnn[nH]1	ZINC000155313478	166270357	/nfs/dbraw/zinc/27/03/57/166270357.db2.gz	MFGQIFOKLAUSKQ-UHFFFAOYSA-N	0	1	210.237	0.127	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)CC(=O)NC(C)C	ZINC000268633941	166297234	/nfs/dbraw/zinc/29/72/34/166297234.db2.gz	LCGJBLJOWKXBFR-LLVKDONJSA-N	0	1	228.336	0.770	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCO	ZINC000155759576	166330311	/nfs/dbraw/zinc/33/03/11/166330311.db2.gz	WZBACWZQVHKMIR-LBPRGKRZSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](O)C1	ZINC000265206895	166330507	/nfs/dbraw/zinc/33/05/07/166330507.db2.gz	KXSCWGLHROUNNG-RYUDHWBXSA-N	0	1	238.331	0.642	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000274001604	166359467	/nfs/dbraw/zinc/35/94/67/166359467.db2.gz	NFWKCICEQOBDJQ-SNVBAGLBSA-N	0	1	209.293	0.708	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](COC)C1	ZINC000265749812	166382179	/nfs/dbraw/zinc/38/21/79/166382179.db2.gz	FEPMFZYQFXUVOF-MNOVXSKESA-N	0	1	226.320	0.645	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C)CC1	ZINC000267952408	166382716	/nfs/dbraw/zinc/38/27/16/166382716.db2.gz	WVMLWZLEAFEWIM-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000035084079	166387708	/nfs/dbraw/zinc/38/77/08/166387708.db2.gz	MOVOTFUOLDDGIX-UWVGGRQHSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)[C@H](C)Sc1c[nH]nn1	ZINC000177373418	166390587	/nfs/dbraw/zinc/39/05/87/166390587.db2.gz	BWSGSHAQKCFBHB-LURJTMIESA-N	0	1	212.278	0.588	20	30		BCEDMN
CN(CCC#N)C[C@@H](O)CNCC1(C#N)CC1	ZINC000591764627	411130278	/nfs/dbraw/zinc/13/02/78/411130278.db2.gz	ILWSLFZGIGWQJH-NSHDSACASA-N	0	1	236.319	0.086	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CC1=CCCOC1	ZINC000661657755	411134262	/nfs/dbraw/zinc/13/42/62/411134262.db2.gz	VKVKLCAUPZFAMJ-NSHDSACASA-N	0	1	238.331	0.956	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2nn[nH]n2)cc1	ZINC000044929415	411142616	/nfs/dbraw/zinc/14/26/16/411142616.db2.gz	NHJOALSHLNBFLK-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
C=CCCCN(C)C(=O)C[C@@H]1COCCN1	ZINC000220244786	411197230	/nfs/dbraw/zinc/19/72/30/411197230.db2.gz	AHGMALVMNHKTCA-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)CN(C[C@@H](C)O)C1CC1	ZINC000653896287	411213022	/nfs/dbraw/zinc/21/30/22/411213022.db2.gz	PDBZQAFXNPHPLV-SECBINFHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCCOCC(=O)N1CCN[C@@H](C)C1	ZINC000309841098	411276651	/nfs/dbraw/zinc/27/66/51/411276651.db2.gz	PDOGUFHVUWSXIG-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC2CC1(C(=O)[O-])C2	ZINC000656759649	411354355	/nfs/dbraw/zinc/35/43/55/411354355.db2.gz	CLWGRHBDKLAIQA-SQLBVSGCSA-N	0	1	225.288	0.863	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCCC(C)C	ZINC000662165771	411371021	/nfs/dbraw/zinc/37/10/21/411371021.db2.gz	OENUPTKRGMMQFP-GHMZBOCLSA-N	0	1	228.336	0.674	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](N)COC(C)C	ZINC000659272193	411385498	/nfs/dbraw/zinc/38/54/98/411385498.db2.gz	XANIAJLZWGJQNG-NSHDSACASA-N	0	1	226.320	0.939	20	30		BCEDMN
Cc1cc(C#N)nc(NCc2nnc[nH]2)n1	ZINC000231939711	411433552	/nfs/dbraw/zinc/43/35/52/411433552.db2.gz	ORRGMRLNMFPFDC-UHFFFAOYSA-N	0	1	215.220	0.387	20	30		BCEDMN
C=CCOCCCNC(=O)N1CCN[C@@H](C)C1	ZINC000659596821	411439623	/nfs/dbraw/zinc/43/96/23/411439623.db2.gz	LVDBSXFCVBIBLP-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C=CCCn1cc(CN[C@H](CO)C(C)C)nn1	ZINC000653611010	411439805	/nfs/dbraw/zinc/43/98/05/411439805.db2.gz	DLGOBKWGVHILGJ-GFCCVEGCSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCN(CC=C)CCN1C(=O)CN(C)C1=O	ZINC000659839483	411471806	/nfs/dbraw/zinc/47/18/06/411471806.db2.gz	VRZGGUHAIBDSRF-UHFFFAOYSA-N	0	1	237.303	0.554	20	30		BCEDMN
C=CCOCCNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000654990628	411472022	/nfs/dbraw/zinc/47/20/22/411472022.db2.gz	QCBKQUWDTOLZIG-SNVBAGLBSA-N	0	1	237.303	0.907	20	30		BCEDMN
C=CCCOCC(=O)NCCc1nc[nH]n1	ZINC000655116396	411498582	/nfs/dbraw/zinc/49/85/82/411498582.db2.gz	DWZNFUBYYNBVTL-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=CCCn1cc(CN[C@@H](CO)CC=C)nn1	ZINC000657437403	411510307	/nfs/dbraw/zinc/51/03/07/411510307.db2.gz	ZCVHFIXGJFNYSA-LLVKDONJSA-N	0	1	236.319	0.881	20	30		BCEDMN
C=CCCn1cc(CNCCc2cn[nH]c2)nn1	ZINC000657471486	411522881	/nfs/dbraw/zinc/52/28/81/411522881.db2.gz	WAWSKNWLZPBZAX-UHFFFAOYSA-N	0	1	246.318	0.910	20	30		BCEDMN
CCOC(=O)CN(C(=O)C(C)C#N)C1CC1	ZINC000044827249	170212635	/nfs/dbraw/zinc/21/26/35/170212635.db2.gz	YNYIJEBOOYTGRV-MRVPVSSYSA-N	0	1	224.260	0.700	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(C2CC2)nc1	ZINC000657791331	411597419	/nfs/dbraw/zinc/59/74/19/411597419.db2.gz	FJPYNBNDIAJOSG-LLVKDONJSA-N	0	1	219.288	0.991	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc(N2CCCC2)nc1	ZINC000657791380	411597710	/nfs/dbraw/zinc/59/77/10/411597710.db2.gz	YEASVJIRBYNLAE-GFCCVEGCSA-N	0	1	248.330	0.713	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cnccn1	ZINC000660723019	411619310	/nfs/dbraw/zinc/61/93/10/411619310.db2.gz	SIDIAPMWHIFVAL-ZJUUUORDSA-N	0	1	248.286	0.348	20	30		BCEDMN
C=CC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000661380206	411762818	/nfs/dbraw/zinc/76/28/18/411762818.db2.gz	CBYTYLMOFJKNBK-SNVBAGLBSA-N	0	1	236.319	0.897	20	30		BCEDMN
C=CC[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000661380206	411762822	/nfs/dbraw/zinc/76/28/22/411762822.db2.gz	CBYTYLMOFJKNBK-SNVBAGLBSA-N	0	1	236.319	0.897	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](C)C(O)[C@@H](C)C1	ZINC000661620920	411821021	/nfs/dbraw/zinc/82/10/21/411821021.db2.gz	BGMBYKDMJMZQLY-UWVGGRQHSA-N	0	1	226.320	0.237	20	30		BCEDMN
C#CCNN=C1CCCc2nc(N)ccc21	ZINC000491404485	411848980	/nfs/dbraw/zinc/84/89/80/411848980.db2.gz	CEAXIKXDDZVKDO-UHFFFAOYSA-N	0	1	214.272	0.927	20	30		BCEDMN
C=CCOCCCNc1ccncc1C(N)=O	ZINC000664388464	411937638	/nfs/dbraw/zinc/93/76/38/411937638.db2.gz	OQLHBXUNTDQIJI-UHFFFAOYSA-N	0	1	235.287	0.607	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(CC(C)C)C1CC1	ZINC000662167070	411999790	/nfs/dbraw/zinc/99/97/90/411999790.db2.gz	QWHNAYNNTKXMGQ-LLVKDONJSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N[C@H](C)CC	ZINC000662165582	412014220	/nfs/dbraw/zinc/01/42/20/412014220.db2.gz	JPZPZGDUZCQILE-OPRDCNLKSA-N	0	1	214.309	0.426	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCCC	ZINC000662165227	412014840	/nfs/dbraw/zinc/01/48/40/412014840.db2.gz	AREREDIPFSJTER-RKDXNWHRSA-N	0	1	200.282	0.038	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCc1cccs1	ZINC000662163787	412014867	/nfs/dbraw/zinc/01/48/67/412014867.db2.gz	KJAYJBINILBEMM-SECBINFHSA-N	0	1	240.328	0.501	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCC(C)C	ZINC000662166160	412015053	/nfs/dbraw/zinc/01/50/53/412015053.db2.gz	UDAZJGZROISZBU-NXEZZACHSA-N	0	1	214.309	0.284	20	30		BCEDMN
Cc1[nH]nc(NC(=O)[C@@H](C(C)C)N(C)C)c1C#N	ZINC000357251165	412281142	/nfs/dbraw/zinc/28/11/42/412281142.db2.gz	ZOSQWHFYAQUOAO-SNVBAGLBSA-N	0	1	249.318	1.115	20	30		BCEDMN
N#Cc1cc(NCCN2CCSCC2)ncn1	ZINC000383571632	412251713	/nfs/dbraw/zinc/25/17/13/412251713.db2.gz	CKSSIBBPDWJSMY-UHFFFAOYSA-N	0	1	249.343	0.809	20	30		BCEDMN
C=CC[C@]1(C(=O)N[C@H](C)c2nnc[nH]2)CCC[NH2+]1	ZINC000662752136	412291617	/nfs/dbraw/zinc/29/16/17/412291617.db2.gz	HOCLHGLTKVPGLN-BXKDBHETSA-N	0	1	249.318	0.680	20	30		BCEDMN
C=CC[C@]1(C(=O)N[C@H](C)c2nnc[n-]2)CCC[NH2+]1	ZINC000662752136	412291619	/nfs/dbraw/zinc/29/16/19/412291619.db2.gz	HOCLHGLTKVPGLN-BXKDBHETSA-N	0	1	249.318	0.680	20	30		BCEDMN
CN(C)C(=O)CCNCc1ccc(C#N)o1	ZINC000135483961	172360370	/nfs/dbraw/zinc/36/03/70/172360370.db2.gz	HMFCRLVFEMRREF-UHFFFAOYSA-N	0	1	221.260	0.719	20	30		BCEDMN
CN(C)C(=O)CNCc1cc(C#N)n(C)c1	ZINC000189580723	172369651	/nfs/dbraw/zinc/36/96/51/172369651.db2.gz	LLYWASOETIPJNK-UHFFFAOYSA-N	0	1	220.276	0.075	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccnc(C#N)c3)C[C@H]21	ZINC000329363196	173104062	/nfs/dbraw/zinc/10/40/62/173104062.db2.gz	HNMWEYFIVHYESD-CHWSQXEVSA-N	0	1	244.298	0.472	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ncccc3C#N)C[C@H]21	ZINC000301673907	173110109	/nfs/dbraw/zinc/11/01/09/173110109.db2.gz	RMGWMZKOPWRJAZ-NEPJUHHUSA-N	0	1	244.298	0.472	20	30		BCEDMN
CNC(=O)CCN(C)Cc1ccc(C#N)o1	ZINC000179409411	173249569	/nfs/dbraw/zinc/24/95/69/173249569.db2.gz	VTUKVBARIYLLOP-UHFFFAOYSA-N	0	1	221.260	0.719	20	30		BCEDMN
CNC(=O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000037224858	173278257	/nfs/dbraw/zinc/27/82/57/173278257.db2.gz	RJYCAHWXFFHCCS-SECBINFHSA-N	0	1	217.272	0.955	20	30		BCEDMN
COCCS(=O)(=O)Nc1cc(C#N)ccn1	ZINC000276686423	174373484	/nfs/dbraw/zinc/37/34/84/174373484.db2.gz	VTYRMVVNCSHJJP-UHFFFAOYSA-N	0	1	241.272	0.341	20	30		BCEDMN
C[C@H]1CN(c2cnc(C#N)cn2)[C@@H](C)CN1C	ZINC000408053582	177277385	/nfs/dbraw/zinc/27/73/85/177277385.db2.gz	HQGDWNKUYXYSJI-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)Cc1n[nH]c(C)n1	ZINC000668854189	487665277	/nfs/dbraw/zinc/66/52/77/487665277.db2.gz	CQHKNMMEIBTDBD-SSDOTTSWSA-N	0	1	208.265	0.736	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN(OC)CC1	ZINC000846977491	588299934	/nfs/dbraw/zinc/29/99/34/588299934.db2.gz	RSUHXSBPKVAYFT-NSHDSACASA-N	0	1	214.309	0.493	20	30		BCEDMN
CO[C@H](C)CC(=O)C(C#N)C(=O)NC(C)C	ZINC000195492389	643356150	/nfs/dbraw/zinc/35/61/50/643356150.db2.gz	RDMPAPIIBULPDJ-BDAKNGLRSA-N	0	1	226.276	0.645	20	30		BCEDMN
C=CCNC(=O)[C@H](N)c1cccc(OC)c1	ZINC000083350449	487905738	/nfs/dbraw/zinc/90/57/38/487905738.db2.gz	SBBZIUSIGWUQSS-LLVKDONJSA-N	0	1	220.272	0.997	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCc2cn[nH]c2C1	ZINC000676791777	487928276	/nfs/dbraw/zinc/92/82/76/487928276.db2.gz	BQROCCVBIKASNW-SECBINFHSA-N	0	1	234.303	0.459	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](C)O[C@H](COC)C1	ZINC000682221870	487929630	/nfs/dbraw/zinc/92/96/30/487929630.db2.gz	RDJJTLZRXYPTQM-WOPDTQHZSA-N	0	1	229.320	0.659	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1ccc(C#N)n1C	ZINC000598155900	487936935	/nfs/dbraw/zinc/93/69/35/487936935.db2.gz	AYDVFPKGMNOFKR-UHFFFAOYSA-N	0	1	246.314	0.530	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000667181672	487955246	/nfs/dbraw/zinc/95/52/46/487955246.db2.gz	IRILXPYYRHESAG-BXKDBHETSA-N	0	1	224.304	0.276	20	30		BCEDMN
C=CCCCCN1CCN(C(=O)[C@@H](C)O)CC1	ZINC000562538772	323023761	/nfs/dbraw/zinc/02/37/61/323023761.db2.gz	QHEXNJAXMXNQNU-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
Cc1cc(CC(=O)NC[C@H](C)C#N)[nH]n1	ZINC000260270497	323029832	/nfs/dbraw/zinc/02/98/32/323029832.db2.gz	YBPPJHLPWOZQIH-SSDOTTSWSA-N	0	1	206.249	0.537	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000570697231	323067702	/nfs/dbraw/zinc/06/77/02/323067702.db2.gz	ZXPPWELLPYUIIM-WDEREUQCSA-N	0	1	223.320	0.993	20	30		BCEDMN
COCCOC[C@H](O)CNCC1(C#N)CCC1	ZINC000563008414	323079668	/nfs/dbraw/zinc/07/96/68/323079668.db2.gz	YFKHNYQMBSDJQN-LLVKDONJSA-N	0	1	242.319	0.294	20	30		BCEDMN
C=CCNC(=O)CN(C)CC(C)(C)OC	ZINC000532086850	323172599	/nfs/dbraw/zinc/17/25/99/323172599.db2.gz	BHZSBWPFAZDLCJ-UHFFFAOYSA-N	0	1	214.309	0.645	20	30		BCEDMN
CSCC(=O)NC1(C#N)CCN(C)CC1	ZINC000070197066	323173120	/nfs/dbraw/zinc/17/31/20/323173120.db2.gz	GGKVCJUSWTWHOS-UHFFFAOYSA-N	0	1	227.333	0.454	20	30		BCEDMN
N#CCC1CCN([C@H]2CC(=O)NC2=O)CC1	ZINC000563821472	323179355	/nfs/dbraw/zinc/17/93/55/323179355.db2.gz	QVDMAJBBJMIYAE-VIFPVBQESA-N	0	1	221.260	0.027	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCNC[C@H]1C(C)C	ZINC000528048369	323752635	/nfs/dbraw/zinc/75/26/35/323752635.db2.gz	KHLYCQYQMMASEV-NSHDSACASA-N	0	1	246.376	0.822	20	30		BCEDMN
C#CCN(C)C(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000491662585	324157491	/nfs/dbraw/zinc/15/74/91/324157491.db2.gz	CBRFYJCAJGQATQ-UHFFFAOYSA-N	0	1	249.318	0.877	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000541950316	325000900	/nfs/dbraw/zinc/00/09/00/325000900.db2.gz	ROKKEULYCLXSNF-BQBZGAKWSA-N	0	1	222.252	0.325	20	30		BCEDMN
CS[C@H]1CCCCN(CC(=O)NCC#N)C1	ZINC000134614749	325367749	/nfs/dbraw/zinc/36/77/49/325367749.db2.gz	FFDUKAXYXPRGGO-JTQLQIEISA-N	0	1	241.360	0.844	20	30		BCEDMN
CC1CCN(CC(=O)NC2(C#N)CC2)CC1	ZINC000137536500	325485323	/nfs/dbraw/zinc/48/53/23/325485323.db2.gz	LPVKWPGHIIGUEW-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CCN1c1ccnc(C#N)n1	ZINC000566485345	326056796	/nfs/dbraw/zinc/05/67/96/326056796.db2.gz	GSDUGZCWMNNKEV-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C#CCN(CC(=O)N1CCNC1=O)C1CCCC1	ZINC000155887006	326213532	/nfs/dbraw/zinc/21/35/32/326213532.db2.gz	PZFXBJWTSLODKS-UHFFFAOYSA-N	0	1	249.314	0.416	20	30		BCEDMN
C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1nnc[nH]1	ZINC000159170297	326351350	/nfs/dbraw/zinc/35/13/50/326351350.db2.gz	PRMBMSOMCUJCAT-ZCFIWIBFSA-N	0	1	230.231	0.495	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCN(CC)[C@H](C)C1	ZINC000677192721	487994946	/nfs/dbraw/zinc/99/49/46/487994946.db2.gz	YGOAYSZEPHWENV-VXGBXAGGSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)[C@@H](C)C1	ZINC000677196717	488001098	/nfs/dbraw/zinc/00/10/98/488001098.db2.gz	VBZFTWJWUNESEK-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
C=CCCOCC(=O)N1CCNC[C@@H]1C	ZINC000309635079	488004285	/nfs/dbraw/zinc/00/42/85/488004285.db2.gz	MAPJDHZHKHZSDT-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
CC#CCN(C)C[C@](C)(O)C(=O)OCC	ZINC000293261189	488012214	/nfs/dbraw/zinc/01/22/14/488012214.db2.gz	UMBLBXURLFSMEQ-NSHDSACASA-N	0	1	213.277	0.256	20	30		BCEDMN
CC#CCNC(=O)NCc1cc(C)[nH]n1	ZINC000677809351	488129032	/nfs/dbraw/zinc/12/90/32/488129032.db2.gz	QNSRSFGYQSUXQD-UHFFFAOYSA-N	0	1	206.249	0.541	20	30		BCEDMN
CCOCCO[C@H]1CCN(CC#CCOC)C1	ZINC000677819668	487516015	/nfs/dbraw/zinc/51/60/15/487516015.db2.gz	JZQPLCYGCRJPPV-ZDUSSCGKSA-N	0	1	241.331	0.764	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)C[C@@H](O)C1CC1	ZINC000677893150	488150650	/nfs/dbraw/zinc/15/06/50/488150650.db2.gz	UTIHAJVXEQEOQV-GXSJLCMTSA-N	0	1	226.320	0.380	20	30		BCEDMN
CC#CCCN(C)CC(=O)N1CCCC1	ZINC000680882110	487663883	/nfs/dbraw/zinc/66/38/83/487663883.db2.gz	NUOAWIWZDJLUCQ-UHFFFAOYSA-N	0	1	208.305	0.954	20	30		BCEDMN
C=CCCOCC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000677919902	488157350	/nfs/dbraw/zinc/15/73/50/488157350.db2.gz	ZGKWKVDVERWAGG-SNVBAGLBSA-N	0	1	249.314	0.976	20	30		BCEDMN
C=CCCOCC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000672328011	488251994	/nfs/dbraw/zinc/25/19/94/488251994.db2.gz	WPJVPWHQPIEWCZ-MRVPVSSYSA-N	0	1	238.291	0.883	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@H](C)N(C)C	ZINC000678801617	488285068	/nfs/dbraw/zinc/28/50/68/488285068.db2.gz	XZYDIFMDYZREGD-UWVGGRQHSA-N	0	1	214.309	0.237	20	30		BCEDMN
CC#CCN1CCN(Cc2n[nH]c(C)n2)CC1	ZINC000678889051	488293945	/nfs/dbraw/zinc/29/39/45/488293945.db2.gz	NGOJXJHACLBBNV-UHFFFAOYSA-N	0	1	233.319	0.254	20	30		BCEDMN
C[C@@H]1CN(c2ncncc2C#N)C[C@H](C)N1C	ZINC000306082613	490287711	/nfs/dbraw/zinc/28/77/11/490287711.db2.gz	DYPGOOKIYNAASQ-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
Cc1nnc(NC(=O)c2ccc(C#N)cn2)[nH]1	ZINC000107592767	491098833	/nfs/dbraw/zinc/09/88/33/491098833.db2.gz	FQYQTZHTKPBVAJ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ccc(C#N)cn2)n1	ZINC000107592767	491098834	/nfs/dbraw/zinc/09/88/34/491098834.db2.gz	FQYQTZHTKPBVAJ-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
CCc1cc(C(=O)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000106048226	491128467	/nfs/dbraw/zinc/12/84/67/491128467.db2.gz	BOVVHUPWDVOVQZ-SECBINFHSA-N	0	1	234.259	0.337	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@H](C)N2)o1	ZINC000779795951	582733174	/nfs/dbraw/zinc/73/31/74/582733174.db2.gz	ZKDBKOZYJGRXPX-ZETCQYMHSA-N	0	1	206.249	0.859	20	30		BCEDMN
C=CCN1CC[C@H](N[C@H](C)c2cnn(C)c2)C1=O	ZINC000281395101	517333865	/nfs/dbraw/zinc/33/38/65/517333865.db2.gz	PZFQPRGYALJRDT-PWSUYJOCSA-N	0	1	248.330	0.858	20	30		BCEDMN
C=C(Cl)CN1CC[C@H]2C(=O)NC[C@H]2C1	ZINC000377721065	534439999	/nfs/dbraw/zinc/43/99/99/534439999.db2.gz	ISFJZTJKIOVCGD-DTWKUNHWSA-N	0	1	214.696	0.807	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@H]1CN(C)CCN1C	ZINC000362380326	534487727	/nfs/dbraw/zinc/48/77/27/534487727.db2.gz	PONMOHIQZQRZOZ-MNOVXSKESA-N	0	1	240.351	0.106	20	30		BCEDMN
C=CCC(F)(F)C(=O)Nc1nn[nH]c1C(N)=O	ZINC000297649773	534579803	/nfs/dbraw/zinc/57/98/03/534579803.db2.gz	FAMXORVOEKUPCV-UHFFFAOYSA-N	0	1	245.189	0.054	20	30		BCEDMN
C=C[C@H](C)NS(=O)(=O)CCN(CC)CC	ZINC000352069688	534666507	/nfs/dbraw/zinc/66/65/07/534666507.db2.gz	YXLGHEDBVSMYAD-JTQLQIEISA-N	0	1	234.365	0.822	20	30		BCEDMN
CC#CCN1CCC2(CC1)NC(=O)N(C)C2=O	ZINC000120062224	534708626	/nfs/dbraw/zinc/70/86/26/534708626.db2.gz	CZADHXQBUYBNTB-UHFFFAOYSA-N	0	1	235.287	0.026	20	30		BCEDMN
CC#CCN1CCC([C@@H](O)C(=O)OC)CC1	ZINC000305193813	534708835	/nfs/dbraw/zinc/70/88/35/534708835.db2.gz	DKGUGZOCCUXHHO-LLVKDONJSA-N	0	1	225.288	0.256	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)[C@H](C)[C@H]1C	ZINC000356887692	534868024	/nfs/dbraw/zinc/86/80/24/534868024.db2.gz	UIQALRWOWJXZLG-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOCCN(CC(N)=O)CC(C)C	ZINC000293522921	534876378	/nfs/dbraw/zinc/87/63/78/534876378.db2.gz	OYQANBSYIOAXHL-UHFFFAOYSA-N	0	1	214.309	0.632	20	30		BCEDMN
C=CCN(CCOC)C[C@H]1CN(C)C(=O)O1	ZINC000496859342	526300351	/nfs/dbraw/zinc/30/03/51/526300351.db2.gz	RZRFOIMIQNJYAR-SNVBAGLBSA-N	0	1	228.292	0.571	20	30		BCEDMN
COC(=O)CN1CCCN(CCCC#N)CC1	ZINC000370236514	536469531	/nfs/dbraw/zinc/46/95/31/536469531.db2.gz	PHAABTFKAPHTQU-UHFFFAOYSA-N	0	1	239.319	0.471	20	30		BCEDMN
C#CCN1CCN(CCOC(C)C)CC1	ZINC000174895525	526952623	/nfs/dbraw/zinc/95/26/23/526952623.db2.gz	VDJVQXNZDDRHFR-UHFFFAOYSA-N	0	1	210.321	0.662	20	30		BCEDMN
CC1(C#N)CCN(CCN2C(=O)CCC2=O)CC1	ZINC000356445015	535276419	/nfs/dbraw/zinc/27/64/19/535276419.db2.gz	HUSIMDNWTNHRNA-UHFFFAOYSA-N	0	1	249.314	0.761	20	30		BCEDMN
CC1(C#N)CCN(CCCS(N)(=O)=O)CC1	ZINC000356432865	535276480	/nfs/dbraw/zinc/27/64/80/535276480.db2.gz	LJWRRXYBXKRPLW-UHFFFAOYSA-N	0	1	245.348	0.291	20	30		BCEDMN
CC(C)OCCCN(C)CC(=O)NCC#N	ZINC000354221769	535323940	/nfs/dbraw/zinc/32/39/40/535323940.db2.gz	KEBDUJJWJICRLK-UHFFFAOYSA-N	0	1	227.308	0.373	20	30		BCEDMN
CC[C@@H](C(N)=O)N1CCC(C)(C#N)CC1	ZINC000227353695	535451682	/nfs/dbraw/zinc/45/16/82/535451682.db2.gz	LZTZZSBXMUKUPT-VIFPVBQESA-N	0	1	209.293	0.876	20	30		BCEDMN
CN(C)Cc1ccc(C(=O)N(C)CC#N)cn1	ZINC000339253241	535994743	/nfs/dbraw/zinc/99/47/43/535994743.db2.gz	JUCNCJOMOPHJCM-UHFFFAOYSA-N	0	1	232.287	0.739	20	30		BCEDMN
CCc1cc(C(=O)N2CCN(CC#N)CC2)n[nH]1	ZINC000266640077	536108641	/nfs/dbraw/zinc/10/86/41/536108641.db2.gz	CALQJWUUUKGUSC-UHFFFAOYSA-N	0	1	247.302	0.253	20	30		BCEDMN
CN1CCCN(C(=O)C2(C#N)CCC2)CC1	ZINC000077108932	536359563	/nfs/dbraw/zinc/35/95/63/536359563.db2.gz	ZHGBYQBPGPVSRJ-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
COCCN1CCC(C#N)(COC)CC1	ZINC000341980227	536856127	/nfs/dbraw/zinc/85/61/27/536856127.db2.gz	POHLNTYGJYUKNO-UHFFFAOYSA-N	0	1	212.293	0.885	20	30		BCEDMN
O=C(NCCN1CCC1)NC1CCOCC1	ZINC000328653370	566265090	/nfs/dbraw/zinc/26/50/90/566265090.db2.gz	LBZMVOZDXQWLHX-UHFFFAOYSA-N	0	1	227.308	0.375	20	30		BCEDMN
C[C@@H](CC#N)C(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853228000	588727587	/nfs/dbraw/zinc/72/75/87/588727587.db2.gz	VKVVAVDCMJUHOK-BQBZGAKWSA-N	0	1	208.221	0.959	20	30		BCEDMN
C=CCCn1cc(C=NNC2=NC[C@H](C)N2)nn1	ZINC000853330344	588733560	/nfs/dbraw/zinc/73/35/60/588733560.db2.gz	MJNYQFOTYSTJFX-VIFPVBQESA-N	0	1	247.306	0.125	20	30		BCEDMN
OCc1ccc(C=NNC2=NCCN2)cc1	ZINC000853357844	588738110	/nfs/dbraw/zinc/73/81/10/588738110.db2.gz	MFLQJUILAKKAEK-UHFFFAOYSA-N	0	1	218.260	0.062	20	30		BCEDMN
Cc1nnc(NN=Cc2cnn(C)c2)n1C	ZINC000853435631	588742330	/nfs/dbraw/zinc/74/23/30/588742330.db2.gz	MTKNNDFQINZEFF-UHFFFAOYSA-N	0	1	219.252	0.303	20	30		BCEDMN
CCN(C(=O)NCCC#N)[C@@H]1CC[N@@H+](C)C1	ZINC000854025849	588772020	/nfs/dbraw/zinc/77/20/20/588772020.db2.gz	WEOOUXBBLVGOHG-SNVBAGLBSA-N	0	1	224.308	0.636	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000854548592	588793104	/nfs/dbraw/zinc/79/31/04/588793104.db2.gz	FSJNQTMSHGJMIB-ZJUUUORDSA-N	0	1	235.287	0.089	20	30		BCEDMN
CC(C)C#CC(=O)NCCN1CCC(O)CC1	ZINC000854852028	588813381	/nfs/dbraw/zinc/81/33/81/588813381.db2.gz	UIAQCTMZESMWTQ-UHFFFAOYSA-N	0	1	238.331	0.219	20	30		BCEDMN
C=CC[C@H]1CCN1C(=O)CCc1nn[nH]n1	ZINC000890550088	582472237	/nfs/dbraw/zinc/47/22/37/582472237.db2.gz	TVJNWAVKUBNXMJ-QMMMGPOBSA-N	0	1	221.264	0.309	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)c1[nH]nnc1C	ZINC000890552119	582473191	/nfs/dbraw/zinc/47/31/91/582473191.db2.gz	KDEIXCWTICMSOT-MRVPVSSYSA-N	0	1	206.249	0.904	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)CCCc1nn[nH]n1	ZINC000890656553	582495081	/nfs/dbraw/zinc/49/50/81/582495081.db2.gz	ZNXLANREPKVQND-SNVBAGLBSA-N	0	1	247.302	0.537	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1	ZINC000890657525	582495363	/nfs/dbraw/zinc/49/53/63/582495363.db2.gz	SJDTVWQLHWDOSF-NSHDSACASA-N	0	1	217.272	0.967	20	30		BCEDMN
CN(C)C(=O)CN1CCC(S)CC1	ZINC000757163372	582545134	/nfs/dbraw/zinc/54/51/34/582545134.db2.gz	OTIOJLNRBHRRPD-UHFFFAOYSA-N	0	1	202.323	0.469	20	30		BCEDMN
C[C@H](C(=O)NCC#C[C@H]1CCCCO1)N(C)C	ZINC000891107919	582611865	/nfs/dbraw/zinc/61/18/65/582611865.db2.gz	VWQTUWJHFVTGFZ-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N1CCN2CCC1CC2	ZINC000845616109	582616716	/nfs/dbraw/zinc/61/67/16/582616716.db2.gz	GOKLCLKTQQSXRR-SNVBAGLBSA-N	0	1	239.319	0.982	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000855585700	588840263	/nfs/dbraw/zinc/84/02/63/588840263.db2.gz	BFABAAXBLHBQEP-ZETCQYMHSA-N	0	1	234.259	0.642	20	30		BCEDMN
C#CCONC(=O)[C@@H]1C[C@H]1OC(C)(C)C	ZINC000855605880	588841232	/nfs/dbraw/zinc/84/12/32/588841232.db2.gz	AWNMJDMFGQVSRA-RKDXNWHRSA-N	0	1	211.261	0.871	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccco1	ZINC000846678429	582664286	/nfs/dbraw/zinc/66/42/86/582664286.db2.gz	UCRUMEMMKUJKSI-MWLCHTKSSA-N	0	1	233.271	0.440	20	30		BCEDMN
C#CCOCCC(=O)N(C)CC1CN(C)C1	ZINC000855638632	588842783	/nfs/dbraw/zinc/84/27/83/588842783.db2.gz	OPPOKSYVFFGJHM-UHFFFAOYSA-N	0	1	224.304	0.046	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N(C)CC1CN(C)C1	ZINC000855640855	588843140	/nfs/dbraw/zinc/84/31/40/588843140.db2.gz	DQMPNWWRHWCBLQ-JTQLQIEISA-N	0	1	224.304	0.045	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc3c[nH]nc3c2)N1	ZINC000779791474	582730748	/nfs/dbraw/zinc/73/07/48/582730748.db2.gz	JNHDCAULAVGDQV-QMMMGPOBSA-N	0	1	242.286	0.834	20	30		BCEDMN
C[C@@H](O)CNN=C1CCCN2CCCC[C@H]12	ZINC000848409739	582767044	/nfs/dbraw/zinc/76/70/44/582767044.db2.gz	CJYMBHDHLJVNJP-ZYHUDNBSSA-N	0	1	225.336	0.961	20	30		BCEDMN
CN1CCN(C)CCN(C(=O)C#CC2CC2)CC1	ZINC000888982318	582836110	/nfs/dbraw/zinc/83/61/10/582836110.db2.gz	NVAQDFIELZIWEO-UHFFFAOYSA-N	0	1	249.358	0.106	20	30		BCEDMN
C=CCCO[N-]C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC000856035557	588858092	/nfs/dbraw/zinc/85/80/92/588858092.db2.gz	CTTXJNHGWWDGQW-SNVBAGLBSA-N	0	1	212.293	0.952	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000892518417	582905481	/nfs/dbraw/zinc/90/54/81/582905481.db2.gz	SDGLNHGWZBPUPC-WYOJIJJFSA-N	0	1	236.271	0.256	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)N(C)c1nn[nH]n1	ZINC000892954263	583018299	/nfs/dbraw/zinc/01/82/99/583018299.db2.gz	HESCYQSYGRIEDF-SNVBAGLBSA-N	0	1	239.279	0.391	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1cn(CC)nn1	ZINC000893281899	583084652	/nfs/dbraw/zinc/08/46/52/583084652.db2.gz	AAWUZSQHLJESDM-SNVBAGLBSA-N	0	1	224.308	0.572	20	30		BCEDMN
C=CCCONC(=O)Cc1ccnn1C	ZINC000856034305	583113884	/nfs/dbraw/zinc/11/38/84/583113884.db2.gz	DCUGOWWILLODTF-UHFFFAOYSA-N	0	1	209.249	0.587	20	30		BCEDMN
N#Cc1ccc2c(c1)C(=NNC1=NCCN1)CC2	ZINC000841659528	583162598	/nfs/dbraw/zinc/16/25/98/583162598.db2.gz	LENONBMFKCXBCT-UHFFFAOYSA-N	0	1	239.282	0.757	20	30		BCEDMN
CCc1cnccc1C(C)=NNC1=NCCN1	ZINC000841659669	583162696	/nfs/dbraw/zinc/16/26/96/583162696.db2.gz	BOYSOXNETISVOP-UHFFFAOYSA-N	0	1	231.303	0.917	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)c(OC)c1	ZINC000841660264	583165422	/nfs/dbraw/zinc/16/54/22/583165422.db2.gz	FCYONIJVJHTBBN-UHFFFAOYSA-N	0	1	248.286	0.587	20	30		BCEDMN
CC(=O)OC[C@@H](C)NCc1ccc(C#N)cn1	ZINC000893869318	583241715	/nfs/dbraw/zinc/24/17/15/583241715.db2.gz	WWZDRJVLXKCJQA-SECBINFHSA-N	0	1	233.271	0.994	20	30		BCEDMN
N#CC1CN(c2nc(Cl)nc3nc[nH]c32)C1	ZINC000893973136	583265466	/nfs/dbraw/zinc/26/54/66/583265466.db2.gz	USZYWRVSMMKOFK-UHFFFAOYSA-N	0	1	234.650	0.966	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn(C)nc2Cl)N1	ZINC000857211372	588893701	/nfs/dbraw/zinc/89/37/01/588893701.db2.gz	HMQRXYJQNXWWTC-LURJTMIESA-N	0	1	240.698	0.345	20	30		BCEDMN
C#CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000877966452	583355453	/nfs/dbraw/zinc/35/54/53/583355453.db2.gz	LGOSZTJXMYHRFS-GZMMTYOYSA-N	0	1	217.272	0.825	20	30		BCEDMN
Cn1ccc(CNC[C@@H](O)CC(C)(C)C#N)n1	ZINC000857237954	588900763	/nfs/dbraw/zinc/90/07/63/588900763.db2.gz	YEUUSJOCEWSCFP-NSHDSACASA-N	0	1	236.319	0.810	20	30		BCEDMN
C[C@H]1CC[N@@H+](CCNC(=O)NCCC#N)C1	ZINC000894486111	583471662	/nfs/dbraw/zinc/47/16/62/583471662.db2.gz	RZQMRIXWAGMOME-JTQLQIEISA-N	0	1	224.308	0.541	20	30		BCEDMN
N#Cc1cccc(CNC[C@H]2COCO2)n1	ZINC000894880256	583543779	/nfs/dbraw/zinc/54/37/79/583543779.db2.gz	BEZBGOLPXFPGSE-NSHDSACASA-N	0	1	219.244	0.416	20	30		BCEDMN
Cc1cnccc1CN[C@H]1CCCN(O)C1=O	ZINC000895158630	583608192	/nfs/dbraw/zinc/60/81/92/583608192.db2.gz	LFGHPQGHDKTYIZ-NSHDSACASA-N	0	1	235.287	0.860	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](Nc2cc(=O)[nH]cn2)C1	ZINC000895200254	583624076	/nfs/dbraw/zinc/62/40/76/583624076.db2.gz	FIYCODMYMRWRSZ-JTQLQIEISA-N	0	1	232.287	0.692	20	30		BCEDMN
CN(C)CC(=O)NCCNc1ccc(C#N)cn1	ZINC000727370578	583634838	/nfs/dbraw/zinc/63/48/38/583634838.db2.gz	PZMLXPDAZNTXCB-UHFFFAOYSA-N	0	1	247.302	0.043	20	30		BCEDMN
C=C[C@H](CO)NCc1c(C)ccnc1N	ZINC000895340284	583654699	/nfs/dbraw/zinc/65/46/99/583654699.db2.gz	NVAKECFDUAQCMI-SECBINFHSA-N	0	1	207.277	0.609	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)CCc1cnc[nH]1	ZINC000882899058	583656767	/nfs/dbraw/zinc/65/67/67/583656767.db2.gz	DCNDQZJXENZWRZ-LLVKDONJSA-N	0	1	237.303	0.786	20	30		BCEDMN
C=CCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000895474725	583679636	/nfs/dbraw/zinc/67/96/36/583679636.db2.gz	YAUOTXSIPZEWSN-SNVBAGLBSA-N	0	1	210.277	0.009	20	30		BCEDMN
C=CCCNC(=O)NCc1n[nH]c(C)n1	ZINC000895692361	583708073	/nfs/dbraw/zinc/70/80/73/583708073.db2.gz	QCYAYNABKHXGOF-UHFFFAOYSA-N	0	1	209.253	0.488	20	30		BCEDMN
C#CCN1CCC(Nc2nccn(C)c2=O)CC1	ZINC000895808577	583729687	/nfs/dbraw/zinc/72/96/87/583729687.db2.gz	KQVZJCAHTVEWGP-UHFFFAOYSA-N	0	1	246.314	0.290	20	30		BCEDMN
C#CCN1CCC(Nc2nc(C)nc(N)n2)CC1	ZINC000895811891	583733138	/nfs/dbraw/zinc/73/31/38/583733138.db2.gz	KGFWOFUQNYLZSF-UHFFFAOYSA-N	0	1	246.318	0.272	20	30		BCEDMN
C#CCCNC(=O)[C@H]1CCN1C(C)(C)C	ZINC000896348023	583795830	/nfs/dbraw/zinc/79/58/30/583795830.db2.gz	UNTKBTCPQAXBEE-SNVBAGLBSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCCCNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000896701335	583822957	/nfs/dbraw/zinc/82/29/57/583822957.db2.gz	LQOPJACMRMERMC-LBPRGKRZSA-N	0	1	236.315	0.237	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)c1cncc2nc[nH]c21	ZINC000896742725	583829427	/nfs/dbraw/zinc/82/94/27/583829427.db2.gz	NONRNOXUKJTVKT-ZETCQYMHSA-N	0	1	229.243	0.847	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897175474	583887944	/nfs/dbraw/zinc/88/79/44/583887944.db2.gz	TVUIEHXXGOSXHZ-LBPRGKRZSA-N	0	1	232.327	0.954	20	30		BCEDMN
C#CC[C@H](CCOC)NCc1ncc[nH]1	ZINC000858333477	588946523	/nfs/dbraw/zinc/94/65/23/588946523.db2.gz	HPKOQFUTFHDJLI-SNVBAGLBSA-N	0	1	207.277	0.928	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)C1CN([C@H]2CCOC2)C1	ZINC000897581268	584021990	/nfs/dbraw/zinc/02/19/90/584021990.db2.gz	LQOCWLSSZQSCCR-JQWIXIFHSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897581270	584022139	/nfs/dbraw/zinc/02/21/39/584022139.db2.gz	LQOCWLSSZQSCCR-ZYHUDNBSSA-N	0	1	236.315	0.187	20	30		BCEDMN
C=CCCCNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897608684	584029049	/nfs/dbraw/zinc/02/90/49/584029049.db2.gz	XOPHVMHUNURSIM-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCSCC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000897751858	584043935	/nfs/dbraw/zinc/04/39/35/584043935.db2.gz	PCYCIAKWSOPKFD-SSDOTTSWSA-N	0	1	238.316	0.657	20	30		BCEDMN
C#CC1(O)CN(Cc2ccc(F)c(F)c2O)C1	ZINC000898144909	584086426	/nfs/dbraw/zinc/08/64/26/584086426.db2.gz	RESYUPMXQNXFHG-UHFFFAOYSA-N	0	1	239.221	0.850	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898359318	584110881	/nfs/dbraw/zinc/11/08/81/584110881.db2.gz	PAJDTLIWESBYNE-SSDOTTSWSA-N	0	1	221.264	0.276	20	30		BCEDMN
C=CCN(C(=O)NCc1n[nH]c(C)n1)C1CC1	ZINC000898360482	584110903	/nfs/dbraw/zinc/11/09/03/584110903.db2.gz	AHURZEHKDTUROL-UHFFFAOYSA-N	0	1	235.291	0.973	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)NCc1n[nH]c(C)n1	ZINC000898344628	584111510	/nfs/dbraw/zinc/11/15/10/584111510.db2.gz	JMUBZJIKMQGKSD-JTQLQIEISA-N	0	1	247.302	0.810	20	30		BCEDMN
C#CCN(C(=O)NCc1n[nH]c(C)n1)C(C)C	ZINC000898347197	584111551	/nfs/dbraw/zinc/11/15/51/584111551.db2.gz	LCRJAGADGATTGL-UHFFFAOYSA-N	0	1	235.291	0.666	20	30		BCEDMN
C=CCCN(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898360953	584111769	/nfs/dbraw/zinc/11/17/69/584111769.db2.gz	PSTRZFVDEPYRSE-UHFFFAOYSA-N	0	1	223.280	0.831	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2cnccn2)C1=O	ZINC000899347265	584199306	/nfs/dbraw/zinc/19/93/06/584199306.db2.gz	OMTSTBYNKHKQIQ-SECBINFHSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CC[C@@H]1C(C)=NN(c2cncnc2)C1=O	ZINC000899356454	584200426	/nfs/dbraw/zinc/20/04/26/584200426.db2.gz	ZOCZCDTUFQJLLG-SNVBAGLBSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2cncnc2)c1=O	ZINC000899356454	584200428	/nfs/dbraw/zinc/20/04/28/584200428.db2.gz	ZOCZCDTUFQJLLG-SNVBAGLBSA-N	0	1	214.228	0.839	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2nccnc2OC)C1=O	ZINC000899351465	584204911	/nfs/dbraw/zinc/20/49/11/584204911.db2.gz	KWLROEVNHFVZKE-VIFPVBQESA-N	0	1	244.254	0.847	20	30		BCEDMN
N#CCC1CN(C[C@@H](O)C2(O)CCC2)C1	ZINC000899892143	584248919	/nfs/dbraw/zinc/24/89/19/584248919.db2.gz	NTLSHYGUWBWUET-SNVBAGLBSA-N	0	1	210.277	0.108	20	30		BCEDMN
C=CCC[C@H]1NC(=O)N(Cc2n[nH]c(C)n2)C1=O	ZINC000900147767	584279334	/nfs/dbraw/zinc/27/93/34/584279334.db2.gz	BLOWFWXVULLWSK-MRVPVSSYSA-N	0	1	249.274	0.500	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C	ZINC000900325368	584295022	/nfs/dbraw/zinc/29/50/22/584295022.db2.gz	BYFPYYJXMIVXQE-CMPLNLGQSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000900325368	584295024	/nfs/dbraw/zinc/29/50/24/584295024.db2.gz	BYFPYYJXMIVXQE-CMPLNLGQSA-N	0	1	239.319	0.204	20	30		BCEDMN
CN(CC#N)C(=O)c1cc([C@H]2CCCN2C)n[nH]1	ZINC000900452016	584312498	/nfs/dbraw/zinc/31/24/98/584312498.db2.gz	KMQZAUGLLYARBZ-LLVKDONJSA-N	0	1	247.302	0.772	20	30		BCEDMN
COCCN(CCC#N)C(=O)Cc1c[nH]cn1	ZINC000900561943	584325059	/nfs/dbraw/zinc/32/50/59/584325059.db2.gz	SRUWUSZQCARMDP-UHFFFAOYSA-N	0	1	236.275	0.341	20	30		BCEDMN
N#CC1(NC(=O)Cc2cnc[nH]2)CCCC1	ZINC000900583262	584328195	/nfs/dbraw/zinc/32/81/95/584328195.db2.gz	BJIIZWMTGPBNHH-UHFFFAOYSA-N	0	1	218.260	0.905	20	30		BCEDMN
C#CC(C)(C)NC(=O)CN(C)C1CCC1	ZINC000900702425	584342616	/nfs/dbraw/zinc/34/26/16/584342616.db2.gz	ASSXPMWGZPZDAA-UHFFFAOYSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CC(C)(C)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000900704547	584343271	/nfs/dbraw/zinc/34/32/71/584343271.db2.gz	XSQIUXLJPLKDOS-NSHDSACASA-N	0	1	236.315	0.235	20	30		BCEDMN
C#CCCCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000901034326	584376388	/nfs/dbraw/zinc/37/63/88/584376388.db2.gz	JNGHGBIWRITOPX-DGCLKSJQSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000901020123	584377289	/nfs/dbraw/zinc/37/72/89/584377289.db2.gz	RZSPPEBDZGYMAZ-IQJOONFLSA-N	0	1	212.293	0.132	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)CN(C)C1CCC1	ZINC000901052586	584379285	/nfs/dbraw/zinc/37/92/85/584379285.db2.gz	QKVOOUYTRDKWJJ-LBPRGKRZSA-N	0	1	239.319	0.516	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccnn2C2CCC2)N1	ZINC000901215085	584401248	/nfs/dbraw/zinc/40/12/48/584401248.db2.gz	HCTBUEKLEUWVOG-SECBINFHSA-N	0	1	246.318	0.879	20	30		BCEDMN
CC(=NNCC(F)(F)F)c1c[nH]c(N)n1	ZINC000901220194	584403086	/nfs/dbraw/zinc/40/30/86/584403086.db2.gz	LTZUHNOYZCJAGT-UHFFFAOYSA-N	0	1	221.186	0.868	20	30		BCEDMN
CC(=NNCCc1ccccn1)c1c[nH]c(N)n1	ZINC000901235033	584404969	/nfs/dbraw/zinc/40/49/69/584404969.db2.gz	SQHBMJJGHFMTTF-UHFFFAOYSA-N	0	1	244.302	0.943	20	30		BCEDMN
C#CCCOC(=O)N1CCCN(C)CC1	ZINC000858876394	588980975	/nfs/dbraw/zinc/98/09/75/588980975.db2.gz	YSYDLVNBSUIGDB-UHFFFAOYSA-N	0	1	210.277	0.784	20	30		BCEDMN
C#CCCOC(=O)N1CCCN(CCO)CC1	ZINC000859002523	588990154	/nfs/dbraw/zinc/99/01/54/588990154.db2.gz	XGHGZTUXUZWPBG-UHFFFAOYSA-N	0	1	240.303	0.146	20	30		BCEDMN
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1	ZINC000902784063	584666309	/nfs/dbraw/zinc/66/63/09/584666309.db2.gz	MYESTBJKGLRQDP-GXSJLCMTSA-N	0	1	244.298	0.835	20	30		BCEDMN
C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1	ZINC000902784066	584666486	/nfs/dbraw/zinc/66/64/86/584666486.db2.gz	MYESTBJKGLRQDP-ONGXEEELSA-N	0	1	244.298	0.835	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2nc(C)no2)CC1	ZINC000902945956	584696216	/nfs/dbraw/zinc/69/62/16/584696216.db2.gz	UBPSUVDRKXDDAO-UHFFFAOYSA-N	0	1	248.286	0.205	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ncc(C)o2)CC1	ZINC000902944643	584696370	/nfs/dbraw/zinc/69/63/70/584696370.db2.gz	HYGKNDUVFUMCCW-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
C=CCCCS(=O)(=O)Nc1c[nH]nc1C#N	ZINC000903191061	584736044	/nfs/dbraw/zinc/73/60/44/584736044.db2.gz	MCCXMBALTZAZDC-UHFFFAOYSA-N	0	1	240.288	0.989	20	30		BCEDMN
N#CC1(CN[C@@H]2CCO[C@@]23CCOC3)CC1	ZINC000903219087	584737793	/nfs/dbraw/zinc/73/77/93/584737793.db2.gz	DJIXPRNXRFMTFQ-ZYHUDNBSSA-N	0	1	222.288	0.828	20	30		BCEDMN
N#CC1(CN[C@H]2CCO[C@]23CCOC3)CC1	ZINC000903219085	584737806	/nfs/dbraw/zinc/73/78/06/584737806.db2.gz	DJIXPRNXRFMTFQ-JQWIXIFHSA-N	0	1	222.288	0.828	20	30		BCEDMN
CCC(C#N)(CC)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876801914	584887158	/nfs/dbraw/zinc/88/71/58/584887158.db2.gz	KHQWHVKKSYOKQP-UWVGGRQHSA-N	0	1	234.303	0.544	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CC(F)(F)C1	ZINC000876803894	584887187	/nfs/dbraw/zinc/88/71/87/584887187.db2.gz	YUODRKMIRNEQHT-YUMQZZPRSA-N	0	1	243.257	0.650	20	30		BCEDMN
C[C@H](CC(=O)N[C@H]1CNC[C@H]1C#N)C(F)(F)F	ZINC000876803605	584887342	/nfs/dbraw/zinc/88/73/42/584887342.db2.gz	XLIYXDNWEZVVCA-PRJMDXOYSA-N	0	1	249.236	0.803	20	30		BCEDMN
CC(=NNCC(N)=O)c1ccccc1N(C)C	ZINC000758890526	584905980	/nfs/dbraw/zinc/90/59/80/584905980.db2.gz	XIGAKKIKICDLAO-UHFFFAOYSA-N	0	1	234.303	0.552	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)C1=NC(=O)N(C)C1)C1CC1	ZINC000831136266	584909017	/nfs/dbraw/zinc/90/90/17/584909017.db2.gz	CPHGEJIVUXOQOZ-MRVPVSSYSA-N	0	1	248.286	0.890	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC[C@@H]1CCOC1	ZINC000834479746	584913692	/nfs/dbraw/zinc/91/36/92/584913692.db2.gz	IACCWMVESMYHHY-MXWKQRLJSA-N	0	1	237.303	0.031	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)C2=COCCC2)CC1	ZINC000730833239	584917630	/nfs/dbraw/zinc/91/76/30/584917630.db2.gz	WQUASQVFCOSGMJ-UHFFFAOYSA-N	0	1	249.314	0.785	20	30		BCEDMN
C#CCNC(=O)CN1CCC(n2ccnc2)CC1	ZINC000731847142	584929421	/nfs/dbraw/zinc/92/94/21/584929421.db2.gz	DWLLRZJLJMPSFX-UHFFFAOYSA-N	0	1	246.314	0.269	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CC1CCSCC1	ZINC000134984984	584956369	/nfs/dbraw/zinc/95/63/69/584956369.db2.gz	ORQHJBQVAFPASB-SECBINFHSA-N	0	1	240.328	0.975	20	30		BCEDMN
CCN(C)c1ccc(C=NNC[C@@H](C)O)cn1	ZINC000814966197	584971172	/nfs/dbraw/zinc/97/11/72/584971172.db2.gz	RENKAKHSCIBZEM-SNVBAGLBSA-N	0	1	236.319	0.842	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1nnc2ccccc2c1O	ZINC000735654085	584980603	/nfs/dbraw/zinc/98/06/03/584980603.db2.gz	FZMWYEWCHLOYLC-ZETCQYMHSA-N	0	1	242.238	0.977	20	30		BCEDMN
C#CCN1CCC(C(=O)Nc2cccnn2)CC1	ZINC000736024238	584986956	/nfs/dbraw/zinc/98/69/56/584986956.db2.gz	WHUMYOCWMJDHEZ-UHFFFAOYSA-N	0	1	244.298	0.760	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NCCN1CCC1	ZINC000820647589	585014105	/nfs/dbraw/zinc/01/41/05/585014105.db2.gz	SSPIEUKCAQAPSX-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NC[C@@H]1CCN1CC	ZINC000890067906	585020570	/nfs/dbraw/zinc/02/05/70/585020570.db2.gz	YQIUELCDUDTFOR-ZDUSSCGKSA-N	0	1	247.342	0.749	20	30		BCEDMN
C#CCCOC(=O)N1CC[C@H](c2nc[nH]n2)C1	ZINC000859196766	589017853	/nfs/dbraw/zinc/01/78/53/589017853.db2.gz	GOASSSLGAKSUSH-VIFPVBQESA-N	0	1	234.259	0.754	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1	ZINC000823496737	585028204	/nfs/dbraw/zinc/02/82/04/585028204.db2.gz	OXBIXGFAJUQEME-WDEREUQCSA-N	0	1	242.319	0.903	20	30		BCEDMN
CC[C@H]1CN(C)CCN1C(=O)NCCC#N	ZINC000838573830	585061030	/nfs/dbraw/zinc/06/10/30/585061030.db2.gz	TZLMJCUMMPUVBO-JTQLQIEISA-N	0	1	224.308	0.636	20	30		BCEDMN
C=CCONC(=O)N1CC[C@H](N2CC=CC2)C1	ZINC000838707192	585065495	/nfs/dbraw/zinc/06/54/95/585065495.db2.gz	XVDPUGZJOBEIQM-NSHDSACASA-N	0	1	237.303	0.760	20	30		BCEDMN
N#CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1	ZINC000839489290	585105281	/nfs/dbraw/zinc/10/52/81/585105281.db2.gz	KKXWGDVFRHCGNH-RKDXNWHRSA-N	0	1	237.259	0.994	20	30		BCEDMN
Cn1cc([C@H](O)CNCc2ccc(C#N)o2)cn1	ZINC000742376444	585125398	/nfs/dbraw/zinc/12/53/98/585125398.db2.gz	SWVMJJFERHBAJN-GFCCVEGCSA-N	0	1	246.270	0.708	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCC1CCOCC1	ZINC000744035977	585142136	/nfs/dbraw/zinc/14/21/36/585142136.db2.gz	UUPFVWQLCSMAGG-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
Cc1ccc2c([O-])c(C(=O)NO)cnc2n1	ZINC000746263251	585166726	/nfs/dbraw/zinc/16/67/26/585166726.db2.gz	FHFLIXRIVRZDAY-UHFFFAOYSA-N	0	1	219.200	0.763	20	30		BCEDMN
Cc1ccc2c(O)c(C(=O)NO)cnc2n1	ZINC000746263251	585166727	/nfs/dbraw/zinc/16/67/27/585166727.db2.gz	FHFLIXRIVRZDAY-UHFFFAOYSA-N	0	1	219.200	0.763	20	30		BCEDMN
Cc1ccc2c([n-]cc(C(=O)NO)c2=O)[nH+]1	ZINC000746263251	585166728	/nfs/dbraw/zinc/16/67/28/585166728.db2.gz	FHFLIXRIVRZDAY-UHFFFAOYSA-N	0	1	219.200	0.763	20	30		BCEDMN
C#CCCNC(=O)CCSc1nnc(C)[nH]1	ZINC000746261029	585166751	/nfs/dbraw/zinc/16/67/51/585166751.db2.gz	QPJULYUROAETTH-UHFFFAOYSA-N	0	1	238.316	0.735	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc(OCC)cc1	ZINC000746513894	585169584	/nfs/dbraw/zinc/16/95/84/585169584.db2.gz	MUIBCZQWDSPXEX-UHFFFAOYSA-N	0	1	246.310	0.924	20	30		BCEDMN
Cc1nn(C)c2ncc(C=NNC(=N)N)cc12	ZINC000747602080	585181188	/nfs/dbraw/zinc/18/11/88/585181188.db2.gz	KHSMIFJCIBZBPS-UHFFFAOYSA-N	0	1	231.263	0.094	20	30		BCEDMN
C#Cc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)cn1	ZINC000748380164	585191957	/nfs/dbraw/zinc/19/19/57/585191957.db2.gz	YDUXTJGDSVEJOF-MRVPVSSYSA-N	0	1	241.254	0.672	20	30		BCEDMN
COC(=O)NCC(=O)Nc1cc(C#N)ccc1O	ZINC000748410903	585192454	/nfs/dbraw/zinc/19/24/54/585192454.db2.gz	TZTDPIKDDJRRPV-UHFFFAOYSA-N	0	1	249.226	0.558	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC(=O)N2)c1	ZINC000748410427	585192501	/nfs/dbraw/zinc/19/25/01/585192501.db2.gz	KCBIUVHIRLOVEA-QMMMGPOBSA-N	0	1	245.238	0.481	20	30		BCEDMN
C#CCN1CCC(C(=O)Nc2cnoc2)CC1	ZINC000749558216	585203778	/nfs/dbraw/zinc/20/37/78/585203778.db2.gz	SGRDEKGXFNYIHI-UHFFFAOYSA-N	0	1	233.271	0.958	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1cccnn1	ZINC000752165966	585243110	/nfs/dbraw/zinc/24/31/10/585243110.db2.gz	NUDZDSAQIHXKHI-MRVPVSSYSA-N	0	1	205.265	0.826	20	30		BCEDMN
COc1ccnc(N=NC2CN(C)C[C@@H]2C)n1	ZINC000752160289	585243318	/nfs/dbraw/zinc/24/33/18/585243318.db2.gz	ISRCVZNHJSKWED-QMMMGPOBSA-N	0	1	235.291	0.835	20	30		BCEDMN
C#CCCCNC(=O)NCCN1CCC1	ZINC000752681630	585248614	/nfs/dbraw/zinc/24/86/14/585248614.db2.gz	MUOBELIVGCUVOK-UHFFFAOYSA-N	0	1	209.293	0.405	20	30		BCEDMN
C#CCOCCNC(=O)Cc1cc(C)n[nH]1	ZINC000753228799	585255632	/nfs/dbraw/zinc/25/56/32/585255632.db2.gz	UNPNQFJDCXIDEG-UHFFFAOYSA-N	0	1	221.260	0.027	20	30		BCEDMN
C#CC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000753952623	585273128	/nfs/dbraw/zinc/27/31/28/585273128.db2.gz	PGUXYYSDSHLPGU-UHFFFAOYSA-N	0	1	213.200	0.438	20	30		BCEDMN
CCN1CCN(CC(=O)NCCC#N)C[C@H]1C	ZINC000754372084	585283450	/nfs/dbraw/zinc/28/34/50/585283450.db2.gz	AZULUCSIAQLAIR-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCN(CC)[C@@H](C)C1	ZINC000754388051	585283996	/nfs/dbraw/zinc/28/39/96/585283996.db2.gz	SJRRHJMVIZBUAL-RYUDHWBXSA-N	0	1	237.347	0.150	20	30		BCEDMN
Cc1nc[nH]c1C=NN1CCN(C)CC1	ZINC000755463579	585300094	/nfs/dbraw/zinc/30/00/94/585300094.db2.gz	GCJRMTPMIGEJSI-UHFFFAOYSA-N	0	1	207.281	0.299	20	30		BCEDMN
Cn1cc(C=NNCCN2CCCCC2)nn1	ZINC000755655157	585303574	/nfs/dbraw/zinc/30/35/74/585303574.db2.gz	COIAVEOYOXNTLN-UHFFFAOYSA-N	0	1	236.323	0.225	20	30		BCEDMN
Cn1cc(C=NNc2ccc(F)cn2)nn1	ZINC000755706916	585304554	/nfs/dbraw/zinc/30/45/54/585304554.db2.gz	QDUYCPGZJYZULW-UHFFFAOYSA-N	0	1	220.211	0.795	20	30		BCEDMN
CC(=O)CCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000755748666	585304979	/nfs/dbraw/zinc/30/49/79/585304979.db2.gz	KFTNPXJBLYCXRG-SNVBAGLBSA-N	0	1	236.271	0.733	20	30		BCEDMN
Cn1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)nn1	ZINC000755815230	585307894	/nfs/dbraw/zinc/30/78/94/585307894.db2.gz	QISOVEDVWYLRFU-AOOOYVTPSA-N	0	1	247.306	0.009	20	30		BCEDMN
C[C@H](CO)N=NC1CN(C2CC2)C[C@H]1C	ZINC000755891478	585309305	/nfs/dbraw/zinc/30/93/05/585309305.db2.gz	HAUFNEWSCYDVND-RKDXNWHRSA-N	0	1	211.309	0.427	20	30		BCEDMN
C#C[C@H](N[C@@H](C)c1n[nH]c(C)n1)[C@@H]1CCCO1	ZINC000839564295	585330211	/nfs/dbraw/zinc/33/02/11/585330211.db2.gz	PTKHYKFMIBBRGV-LSJOCFKGSA-N	0	1	234.303	0.945	20	30		BCEDMN
C#CCSCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839687638	585335230	/nfs/dbraw/zinc/33/52/30/585335230.db2.gz	DYHGBBQZVMKMGG-HTQZYQBOSA-N	0	1	228.273	0.134	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839733644	585337565	/nfs/dbraw/zinc/33/75/65/585337565.db2.gz	LTOIWUYGZRCHRJ-ZXFLCMHBSA-N	0	1	227.195	0.116	20	30		BCEDMN
C#CCNC(=S)N1CCN(CC2CC2)CC1	ZINC000758205690	585351823	/nfs/dbraw/zinc/35/18/23/585351823.db2.gz	WWSBEEBXGJOAIC-UHFFFAOYSA-N	0	1	237.372	0.522	20	30		BCEDMN
C#CCNC(=S)NN=c1cc(C)[nH]c(C)n1	ZINC000758239848	585352037	/nfs/dbraw/zinc/35/20/37/585352037.db2.gz	UWFDLBXGMWUXFC-UHFFFAOYSA-N	0	1	235.316	0.518	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)C[C@@H]1C(C)C	ZINC000758241229	585352695	/nfs/dbraw/zinc/35/26/95/585352695.db2.gz	ZQJDBFRGWSHTDY-LLVKDONJSA-N	0	1	239.388	0.766	20	30		BCEDMN
C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)NCCC#N	ZINC000759493252	585373994	/nfs/dbraw/zinc/37/39/94/585373994.db2.gz	YBCSYHKSJJFWBO-NXEZZACHSA-N	0	1	239.319	0.250	20	30		BCEDMN
C#CCCCC(=O)NCCN1CCCOCC1	ZINC000760526460	585393858	/nfs/dbraw/zinc/39/38/58/585393858.db2.gz	RIMROGOUANUKEA-UHFFFAOYSA-N	0	1	238.331	0.628	20	30		BCEDMN
C#CCCN1CCCC[C@H]1CNS(C)(=O)=O	ZINC000760816506	585398071	/nfs/dbraw/zinc/39/80/71/585398071.db2.gz	ULLCITYPGRCPCR-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCN(CC)CC[C@H]1CCS(=O)(=O)C1	ZINC000760842285	585399124	/nfs/dbraw/zinc/39/91/24/585399124.db2.gz	FUTDLJXNWIAFKB-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
C#CCCN1CCC(N(C)S(C)(=O)=O)CC1	ZINC000760851105	585399910	/nfs/dbraw/zinc/39/99/10/585399910.db2.gz	MTWWARSMTSBEHR-UHFFFAOYSA-N	0	1	244.360	0.366	20	30		BCEDMN
C=CCN1CC(=O)N(Cc2cc(CC)[nH]n2)C1=O	ZINC000761267316	585412934	/nfs/dbraw/zinc/41/29/34/585412934.db2.gz	IKTUHPPINLLYIK-UHFFFAOYSA-N	0	1	248.286	0.922	20	30		BCEDMN
C[C@H]1CC(N=Nc2ncccn2)CN1C	ZINC000761805318	585419025	/nfs/dbraw/zinc/41/90/25/585419025.db2.gz	AIAFJNJCIWLBOV-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H](C#N)NC(=O)Cc1n[nH]c2c1CCCC2	ZINC000762453679	585432679	/nfs/dbraw/zinc/43/26/79/585432679.db2.gz	HSJAVDMSVWJXHH-QMMMGPOBSA-N	0	1	232.287	0.859	20	30		BCEDMN
O=C([O-])c1ccc(N=NCc2cnc[nH]2)nc1	ZINC000763372504	585447382	/nfs/dbraw/zinc/44/73/82/585447382.db2.gz	ZCPITIVEOPBEOR-UHFFFAOYSA-N	0	1	231.215	0.949	20	30		BCEDMN
COc1nccnc1N=NC1CN(C)C[C@H]1C	ZINC000763409410	585447912	/nfs/dbraw/zinc/44/79/12/585447912.db2.gz	YEJBABYFFVWXAG-MRVPVSSYSA-N	0	1	235.291	0.835	20	30		BCEDMN
C#C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCCO1	ZINC000763780903	585454025	/nfs/dbraw/zinc/45/40/25/585454025.db2.gz	OFKLTURGDNJEKW-GRYCIOLGSA-N	0	1	249.310	0.853	20	30		BCEDMN
Cc1cc(C(=O)NC2=NO[C@@H](C)C2)ncn1	ZINC000765376000	585484281	/nfs/dbraw/zinc/48/42/81/585484281.db2.gz	MHBRULMHDDSHPG-ZETCQYMHSA-N	0	1	220.232	0.637	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2CCCCN2C)=NO1	ZINC000765372725	585484446	/nfs/dbraw/zinc/48/44/46/585484446.db2.gz	NHQWCNCCFICPRE-BDAKNGLRSA-N	0	1	225.292	0.709	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cn3cccnc3n2)NO1	ZINC000765378115	585484747	/nfs/dbraw/zinc/48/47/47/585484747.db2.gz	XXGNGLDYONGZTE-SSDOTTSWSA-N	0	1	245.242	0.581	20	30		BCEDMN
S=C(NN=C1CCN2CCC[C@@H]12)NC1CC1	ZINC000765560714	585489618	/nfs/dbraw/zinc/48/96/18/585489618.db2.gz	UKXXXWQPWUMMSH-JTQLQIEISA-N	0	1	238.360	0.837	20	30		BCEDMN
C[C@@H](C#N)CNN=C1CCN2CCC[C@@H]12	ZINC000765582146	585489925	/nfs/dbraw/zinc/48/99/25/585489925.db2.gz	CAWMXEHJBAQHNB-ONGXEEELSA-N	0	1	206.293	0.960	20	30		BCEDMN
C#CCCCN1CCN(CC(=O)NC2CC2)CC1	ZINC000766895848	585509748	/nfs/dbraw/zinc/50/97/48/585509748.db2.gz	JFAUNIHZMSRRMU-UHFFFAOYSA-N	0	1	249.358	0.296	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCc1nnc[nH]1	ZINC000767320392	585516748	/nfs/dbraw/zinc/51/67/48/585516748.db2.gz	GTAKTAULTZHOIX-UHFFFAOYSA-N	0	1	206.249	0.470	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C	ZINC000768845375	585544756	/nfs/dbraw/zinc/54/47/56/585544756.db2.gz	HZQBAVVAVMRFEM-RYUDHWBXSA-N	0	1	238.331	0.577	20	30		BCEDMN
COc1nc(C(=O)OCC2(C#N)CC2)cc(=O)[nH]1	ZINC000770510619	585575166	/nfs/dbraw/zinc/57/51/66/585575166.db2.gz	CUYUSSIEDPHWOT-UHFFFAOYSA-N	0	1	249.226	0.651	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)[C@H](C)[C@H]1C	ZINC000771406233	585594202	/nfs/dbraw/zinc/59/42/02/585594202.db2.gz	TVXMWQXAHGPFDG-VXGBXAGGSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCCCN1CCSC[C@@H]1C(N)=O	ZINC000773585518	585640663	/nfs/dbraw/zinc/64/06/63/585640663.db2.gz	WABWAULSZJZMEM-SECBINFHSA-N	0	1	212.318	0.303	20	30		BCEDMN
Cn1[nH]ccc1=NN=C1CCN2CCC[C@@H]12	ZINC000774413379	585657990	/nfs/dbraw/zinc/65/79/90/585657990.db2.gz	OOGSJAAYZJMJKP-JTQLQIEISA-N	0	1	219.292	0.478	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H](C)N(C)C)[C@H]1CCCO1	ZINC000775325699	585675306	/nfs/dbraw/zinc/67/53/06/585675306.db2.gz	UGMXJZMRDDEEEL-GARJFASQSA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCCN1CCN(CC2OCCO2)CC1	ZINC000777713500	585719123	/nfs/dbraw/zinc/71/91/23/585719123.db2.gz	JNJKVPAABTYZTE-UHFFFAOYSA-N	0	1	224.304	0.000	20	30		BCEDMN
COC[C@H](C)NN=C1CCN2CCC[C@@H]12	ZINC000777894052	585722626	/nfs/dbraw/zinc/72/26/26/585722626.db2.gz	FMHHGBLIHPLDRQ-ONGXEEELSA-N	0	1	211.309	0.835	20	30		BCEDMN
C#CCC[NH+]1CCN(C[C@@H](O)CSC)CC1	ZINC000778096740	585725776	/nfs/dbraw/zinc/72/57/76/585725776.db2.gz	YXWNERLEPYJDHO-GFCCVEGCSA-N	0	1	242.388	0.351	20	30		BCEDMN
CC(C#N)C(=O)N1CCC[C@]12CCOC2=O	ZINC000779260170	585748741	/nfs/dbraw/zinc/74/87/41/585748741.db2.gz	VCTKSQMXFNHWDD-GZMMTYOYSA-N	0	1	222.244	0.454	20	30		BCEDMN
COc1cc(C=NNC2=NC[C@@H](C)N2)ccc1O	ZINC000779791647	585763647	/nfs/dbraw/zinc/76/36/47/585763647.db2.gz	DUSRPSBLCGTWEI-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc(O)c2)N1	ZINC000779791169	585763677	/nfs/dbraw/zinc/76/36/77/585763677.db2.gz	GAWLLHWWEFZMDF-QMMMGPOBSA-N	0	1	218.260	0.663	20	30		BCEDMN
Cc1csc(C=NNC2=NC[C@@H](C)N2)n1	ZINC000779792438	585763847	/nfs/dbraw/zinc/76/38/47/585763847.db2.gz	RRSUZMPDRZRSJO-ZCFIWIBFSA-N	0	1	223.305	0.723	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(C#N)cc2)N1	ZINC000779792971	585764032	/nfs/dbraw/zinc/76/40/32/585764032.db2.gz	QDSUMTNVJVQSGW-VIFPVBQESA-N	0	1	227.271	0.829	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@@H](C)N2)o1	ZINC000779795950	585764296	/nfs/dbraw/zinc/76/42/96/585764296.db2.gz	ZKDBKOZYJGRXPX-SSDOTTSWSA-N	0	1	206.249	0.859	20	30		BCEDMN
CCCn1cc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000779794204	585764352	/nfs/dbraw/zinc/76/43/52/585764352.db2.gz	DSUORVHIWGQGOZ-SECBINFHSA-N	0	1	234.307	0.564	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2COc3ccc(F)cc32)N1	ZINC000779799880	585764812	/nfs/dbraw/zinc/76/48/12/585764812.db2.gz	YIDCWYUALICHHM-SSDOTTSWSA-N	0	1	248.261	0.860	20	30		BCEDMN
Cc1nc[nH]c1C=NN[C@H]1CCCOC1	ZINC000780259878	585775718	/nfs/dbraw/zinc/77/57/18/585775718.db2.gz	GAFACXCDKLDQGN-VIFPVBQESA-N	0	1	208.265	0.821	20	30		BCEDMN
CC[C@@H](C#N)OC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000781208737	585793435	/nfs/dbraw/zinc/79/34/35/585793435.db2.gz	KMZUPHINGFJZMF-LURJTMIESA-N	0	1	237.215	0.650	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CCC(OC)CC1	ZINC000781450726	585796192	/nfs/dbraw/zinc/79/61/92/585796192.db2.gz	UYPJPFHLUGSSOS-RTBKNWGFSA-N	0	1	238.287	0.646	20	30		BCEDMN
Cc1cccnc1C=NNc1nccn(C)c1=O	ZINC000781593082	585799845	/nfs/dbraw/zinc/79/98/45/585799845.db2.gz	QJQCTYAAQLUJJZ-UHFFFAOYSA-N	0	1	243.270	0.930	20	30		BCEDMN
Cc1cccnc1C=NNC1=NC[C@@H](C)N1	ZINC000781595213	585800148	/nfs/dbraw/zinc/80/01/48/585800148.db2.gz	NRJUZPQKJJPZSP-SECBINFHSA-N	0	1	217.276	0.661	20	30		BCEDMN
COc1ccc2c(c1)[nH]cc(C(=O)NO)c2=O	ZINC000782172029	585809148	/nfs/dbraw/zinc/80/91/48/585809148.db2.gz	IPEWKVWGGDJTCZ-UHFFFAOYSA-N	0	1	234.211	0.656	20	30		BCEDMN
CO[C@@H]1CCCN(CC(=O)NCCC#N)CC1	ZINC000783018773	585827184	/nfs/dbraw/zinc/82/71/84/585827184.db2.gz	QQDTUJUSDWXLBS-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCCCNC(=O)[C@H](C)CN1CCOCC1	ZINC000783650394	585839407	/nfs/dbraw/zinc/83/94/07/585839407.db2.gz	PNARFULJTPJYGQ-GFCCVEGCSA-N	0	1	238.331	0.484	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784493883	585861321	/nfs/dbraw/zinc/86/13/21/585861321.db2.gz	TXFLJMDDGNYVCQ-BQBZGAKWSA-N	0	1	200.213	0.435	20	30		BCEDMN
CC(C)[C@H](F)C(=O)[C@@H](C#N)C(=O)NC1CC1	ZINC000784491564	585861388	/nfs/dbraw/zinc/86/13/88/585861388.db2.gz	VWWAFSBOYTUXKD-BDAKNGLRSA-N	0	1	226.251	0.968	20	30		BCEDMN
COC[C@H](C#N)OC(=O)c1[nH]nc2c1CCC2	ZINC000785186695	585871642	/nfs/dbraw/zinc/87/16/42/585871642.db2.gz	HJKRYGWEJIPLAP-ZETCQYMHSA-N	0	1	235.243	0.594	20	30		BCEDMN
N#Cc1ccc(C(=O)Nn2cnnc2)cc1O	ZINC000785422232	585873283	/nfs/dbraw/zinc/87/32/83/585873283.db2.gz	QWUNRYGXWIUVHA-UHFFFAOYSA-N	0	1	229.199	0.239	20	30		BCEDMN
C#CCNC(=O)CN(C)C1CC(OCC)C1	ZINC000805818706	585896929	/nfs/dbraw/zinc/89/69/29/585896929.db2.gz	MDJNFGVGBFTUAE-UHFFFAOYSA-N	0	1	224.304	0.235	20	30		BCEDMN
CC#CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000788307121	585921556	/nfs/dbraw/zinc/92/15/56/585921556.db2.gz	YDCWYMWTOSBXJK-GFCCVEGCSA-N	0	1	237.347	0.009	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000790018245	585956286	/nfs/dbraw/zinc/95/62/86/585956286.db2.gz	CFIHYEOFUDAJLC-NSHDSACASA-N	0	1	233.275	0.879	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn(C(C)(C)C)nn2)N1	ZINC000790174291	585959389	/nfs/dbraw/zinc/95/93/89/585959389.db2.gz	ROIAMEVTOYFCMZ-QMMMGPOBSA-N	0	1	249.322	0.304	20	30		BCEDMN
COc1cccc(C=NNC2=NC[C@H](C)N2)n1	ZINC000790175073	585959550	/nfs/dbraw/zinc/95/95/50/585959550.db2.gz	YFPANJQSGQKZIW-QMMMGPOBSA-N	0	1	233.275	0.361	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cc(C)on1	ZINC000790297724	585962521	/nfs/dbraw/zinc/96/25/21/585962521.db2.gz	OMBKFUVCMCWQEA-ZCFIWIBFSA-N	0	1	221.264	0.644	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1nccn1C	ZINC000790301686	585963064	/nfs/dbraw/zinc/96/30/64/585963064.db2.gz	HBCAXUYRXJCBFV-MRVPVSSYSA-N	0	1	207.281	0.770	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C2CCCC2)CC1	ZINC000791315155	585977067	/nfs/dbraw/zinc/97/70/67/585977067.db2.gz	ZOPDWUMTSGXLBQ-UHFFFAOYSA-N	0	1	238.331	0.622	20	30		BCEDMN
CO[C@@]1(C)CCCN(CC(=O)NCCC#N)C1	ZINC000791562498	585984138	/nfs/dbraw/zinc/98/41/38/585984138.db2.gz	CWFKBAAVAMGKCV-LBPRGKRZSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCN(C)C[C@H](O)COc1ccccc1C#N	ZINC000859275614	589027277	/nfs/dbraw/zinc/02/72/77/589027277.db2.gz	PGOWOEFMXCKJIA-ZDUSSCGKSA-N	0	1	244.294	0.863	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H]1[C@@H]1CCCO1	ZINC000792926607	586006923	/nfs/dbraw/zinc/00/69/23/586006923.db2.gz	MXMSCHNBGOWBBV-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
Cc1nc(C)c(C=NNC2=NC[C@H](C)N2)o1	ZINC000793040302	586008740	/nfs/dbraw/zinc/00/87/40/586008740.db2.gz	SXCOSYMGLBAJNS-LURJTMIESA-N	0	1	221.264	0.563	20	30		BCEDMN
CC[C@@H](NN=C1C[N@@H+](C2CC2)C[C@@H]1C)C(=O)[O-]	ZINC000793055738	586009205	/nfs/dbraw/zinc/00/92/05/586009205.db2.gz	OOWUYWIPBGAMKW-WCBMZHEXSA-N	0	1	239.319	0.909	20	30		BCEDMN
CC[C@@H](NN=C1C[N@H+](C2CC2)C[C@@H]1C)C(=O)[O-]	ZINC000793055738	586009206	/nfs/dbraw/zinc/00/92/06/586009206.db2.gz	OOWUYWIPBGAMKW-WCBMZHEXSA-N	0	1	239.319	0.909	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnc[nH]1)[C@@H]1CCCO1	ZINC000793855888	586027970	/nfs/dbraw/zinc/02/79/70/586027970.db2.gz	MJFOJYSNTDKVOE-RYUDHWBXSA-N	0	1	247.298	0.639	20	30		BCEDMN
COCCn1cc(CN=Nc2cncnc2)cn1	ZINC000794976692	586060784	/nfs/dbraw/zinc/06/07/84/586060784.db2.gz	QUWAAZKQXWKAPD-UHFFFAOYSA-N	0	1	246.274	0.766	20	30		BCEDMN
c1nc2ncccn2c1CN=Nc1cncnc1	ZINC000794978090	586060842	/nfs/dbraw/zinc/06/08/42/586060842.db2.gz	HBYDDIFDTIKASR-UHFFFAOYSA-N	0	1	239.242	0.965	20	30		BCEDMN
COC(=O)[C@H]1[C@@H]2CN(CCO[C@H](C)C#N)C[C@@H]21	ZINC000794991918	586062254	/nfs/dbraw/zinc/06/22/54/586062254.db2.gz	OWZRRAUMLDTSOI-ZNSHCXBVSA-N	0	1	238.287	0.266	20	30		BCEDMN
C#CCCCN1CC[C@H](CS(C)(=O)=O)C1	ZINC000795087731	586068383	/nfs/dbraw/zinc/06/83/83/586068383.db2.gz	RIQYYUIKIZNMPT-NSHDSACASA-N	0	1	229.345	0.766	20	30		BCEDMN
N#Cc1cc(C(=O)OCCc2c[nH]nn2)ccn1	ZINC000796727512	586111023	/nfs/dbraw/zinc/11/10/23/586111023.db2.gz	RFMNGRHBDVQPKO-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
N#Cc1cc(C(=O)OCCc2cnn[nH]2)ccn1	ZINC000796727512	586111024	/nfs/dbraw/zinc/11/10/24/586111024.db2.gz	RFMNGRHBDVQPKO-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COC(F)F	ZINC000796793768	586112937	/nfs/dbraw/zinc/11/29/37/586112937.db2.gz	UFTMOUNQSZIJGR-ZCFIWIBFSA-N	0	1	234.202	0.459	20	30		BCEDMN
C=CCn1c(SCC[S@](C)=O)n[nH]c1=O	ZINC000798234433	586141083	/nfs/dbraw/zinc/14/10/83/586141083.db2.gz	PWNWYVKZMHIXAM-HNNXBMFYSA-N	0	1	247.345	0.640	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)Cc1cc(C)n[nH]1	ZINC000799080643	586156102	/nfs/dbraw/zinc/15/61/02/586156102.db2.gz	KSLBHPNZHIIXTO-LLVKDONJSA-N	0	1	235.287	0.151	20	30		BCEDMN
CC(C)(CO)CNN=C1CCN2CCC[C@H]12	ZINC000799115653	586157911	/nfs/dbraw/zinc/15/79/11/586157911.db2.gz	JRNJXVCXYFYBAS-LLVKDONJSA-N	0	1	225.336	0.819	20	30		BCEDMN
C=C1CCN([C@H]2CCC(=O)NC2=O)CC1	ZINC000799122498	586159699	/nfs/dbraw/zinc/15/96/99/586159699.db2.gz	QEFPQVKIOAKIGK-VIFPVBQESA-N	0	1	208.261	0.444	20	30		BCEDMN
C#CCOCCN(C)[C@H]1CCN(CC=C)C1=O	ZINC000799146377	586161819	/nfs/dbraw/zinc/16/18/19/586161819.db2.gz	DXXQKZCXROYDNJ-LBPRGKRZSA-N	0	1	236.315	0.355	20	30		BCEDMN
O=C1N=NCN1N=Cc1cc(C(F)(F)F)n[nH]1	ZINC000799483564	586179502	/nfs/dbraw/zinc/17/95/02/586179502.db2.gz	ZGOSOVXFIXASJR-UHFFFAOYSA-N	0	1	246.152	0.608	20	30		BCEDMN
Cc1cc(C)cc([C@@H](O)CNCC#CCO)c1	ZINC000843080216	586225460	/nfs/dbraw/zinc/22/54/60/586225460.db2.gz	QTEMDDRRFOUKOS-AWEZNQCLSA-N	0	1	233.311	0.922	20	30		BCEDMN
C#CCCCN1CCN(c2nccnn2)CC1	ZINC000859408870	589035934	/nfs/dbraw/zinc/03/59/34/589035934.db2.gz	KHSZXQWVMCYCER-UHFFFAOYSA-N	0	1	231.303	0.407	20	30		BCEDMN
C[C@H](C#N)OCCN(C)[C@@H]1CCCCNC1=O	ZINC000801917747	586276255	/nfs/dbraw/zinc/27/62/55/586276255.db2.gz	NRPBVEMUVQVARV-GHMZBOCLSA-N	0	1	239.319	0.516	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC)C[C@@H]1C	ZINC000804379302	586393839	/nfs/dbraw/zinc/39/38/39/586393839.db2.gz	KGGUGUDMIAJYGY-JTQLQIEISA-N	0	1	212.293	0.088	20	30		BCEDMN
CCN1CCN(C(=O)C=NOC)[C@H](C)C1	ZINC000804379493	586393869	/nfs/dbraw/zinc/39/38/69/586393869.db2.gz	MEPHMTZTFSCZSW-SECBINFHSA-N	0	1	213.281	0.171	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(CC)C[C@H]1C	ZINC000804379309	586394187	/nfs/dbraw/zinc/39/41/87/586394187.db2.gz	KGGUGUDMIAJYGY-SNVBAGLBSA-N	0	1	212.293	0.088	20	30		BCEDMN
C#Cc1cncc(C(=O)N[C@@H]2CCCN(C)C2)c1	ZINC000806544664	586413871	/nfs/dbraw/zinc/41/38/71/586413871.db2.gz	AGBQKHFKQDKEQY-CYBMUJFWSA-N	0	1	243.310	0.887	20	30		BCEDMN
C#CCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000806876898	586419975	/nfs/dbraw/zinc/41/99/75/586419975.db2.gz	HIKWXPBIHUZBPY-QMMMGPOBSA-N	0	1	235.291	0.887	20	30		BCEDMN
C#Cc1cncc(C(=O)Nc2nnc(C)[nH]2)c1	ZINC000806907312	586420501	/nfs/dbraw/zinc/42/05/01/586420501.db2.gz	NFNJFYLOLBYNKQ-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
C#Cc1cncc(C(=O)Nc2nc(C)n[nH]2)c1	ZINC000806907312	586420503	/nfs/dbraw/zinc/42/05/03/586420503.db2.gz	NFNJFYLOLBYNKQ-UHFFFAOYSA-N	0	1	227.227	0.742	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCc1c[nH]nn1	ZINC000806993660	586421540	/nfs/dbraw/zinc/42/15/40/586421540.db2.gz	FHNYIAVXKACIFV-UHFFFAOYSA-N	0	1	216.244	0.084	20	30		BCEDMN
Nc1nc(Cl)cc(NN=Cc2cnccn2)n1	ZINC000807981141	586454757	/nfs/dbraw/zinc/45/47/57/586454757.db2.gz	HQPNFUFDDQAMOG-UHFFFAOYSA-N	0	1	249.665	0.948	20	30		BCEDMN
CN(CCc1nccs1)C[C@H](O)CC#N	ZINC000809576868	586507889	/nfs/dbraw/zinc/50/78/89/586507889.db2.gz	RNBIRQQCYQVFBA-SECBINFHSA-N	0	1	225.317	0.892	20	30		BCEDMN
N#CC[C@@H](O)CN[C@H](CCO)c1ccccc1	ZINC000809578610	586508242	/nfs/dbraw/zinc/50/82/42/586508242.db2.gz	OQTCUOIYMOVYAG-CHWSQXEVSA-N	0	1	234.299	0.974	20	30		BCEDMN
CON=CC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000809729764	586515416	/nfs/dbraw/zinc/51/54/16/586515416.db2.gz	ZBJPEIDCDFQGJN-ZETCQYMHSA-N	0	1	222.248	0.015	20	30		BCEDMN
C#CCN(C)C(=O)NCc1cc(CC)[nH]n1	ZINC000812052239	586569656	/nfs/dbraw/zinc/56/96/56/586569656.db2.gz	QIUVSXJLKAQYNJ-UHFFFAOYSA-N	0	1	220.276	0.747	20	30		BCEDMN
CCN(CC(=O)NCCC#N)C[C@@H](C)OC	ZINC000812909263	586588941	/nfs/dbraw/zinc/58/89/41/586588941.db2.gz	TZYLDTQOKKHZSN-SNVBAGLBSA-N	0	1	227.308	0.373	20	30		BCEDMN
CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC	ZINC000813060698	586590040	/nfs/dbraw/zinc/59/00/40/586590040.db2.gz	HLGIYCPLBGCRRF-HLTSFMKQSA-N	0	1	208.261	0.877	20	30		BCEDMN
CC(=NN=c1[nH]ccn(C)c1=O)c1cc[nH]n1	ZINC000814863221	586639776	/nfs/dbraw/zinc/63/97/76/586639776.db2.gz	GAZXZIDQPXONOB-UHFFFAOYSA-N	0	1	232.247	0.340	20	30		BCEDMN
CC(=NNc1nccn(C)c1=O)c1cc[nH]n1	ZINC000814863221	586639777	/nfs/dbraw/zinc/63/97/77/586639777.db2.gz	GAZXZIDQPXONOB-UHFFFAOYSA-N	0	1	232.247	0.340	20	30		BCEDMN
Cc1ccnc(NN=Cc2cnn(C)n2)c1	ZINC000814868539	586640610	/nfs/dbraw/zinc/64/06/10/586640610.db2.gz	WZAHKRIOOGCLFN-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2COc3cc(F)ccc32)N1	ZINC000814897161	586645075	/nfs/dbraw/zinc/64/50/75/586645075.db2.gz	GITCPDBKJMPAPR-SSDOTTSWSA-N	0	1	248.261	0.860	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnn(C)c2Cl)N1	ZINC000814898071	586645583	/nfs/dbraw/zinc/64/55/83/586645583.db2.gz	PQKYRRQBKJKJTF-ZCFIWIBFSA-N	0	1	240.698	0.345	20	30		BCEDMN
CC(C)N(C)c1ccc(C=NNCCO)cn1	ZINC000814942638	586656999	/nfs/dbraw/zinc/65/69/99/586656999.db2.gz	NGYAWKCSDDYPLO-UHFFFAOYSA-N	0	1	236.319	0.842	20	30		BCEDMN
O=[N+]([O-])c1ccc(O)cc1C=NNCCO	ZINC000814944512	586657655	/nfs/dbraw/zinc/65/76/55/586657655.db2.gz	PLMLAKIAEFADIG-UHFFFAOYSA-N	0	1	225.204	0.216	20	30		BCEDMN
Cn1nncc1N=NCc1ccccn1	ZINC000814983189	586663327	/nfs/dbraw/zinc/66/33/27/586663327.db2.gz	CKBYVZVAKFUCFE-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
C=CCOCCN(CC)CC(=O)NC	ZINC000815020714	586664540	/nfs/dbraw/zinc/66/45/40/586664540.db2.gz	DHPLLLDXQNOMJQ-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F	ZINC000815912091	586697009	/nfs/dbraw/zinc/69/70/09/586697009.db2.gz	YZVMRYZBVGSKEZ-NTSWFWBYSA-N	0	1	218.203	0.733	20	30		BCEDMN
N#Cc1ccnc(C(=O)Nc2c[nH]nn2)c1	ZINC000816317864	586717135	/nfs/dbraw/zinc/71/71/35/586717135.db2.gz	CZEXZWLOLJUNLL-UHFFFAOYSA-N	0	1	214.188	0.324	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCCc1nc[nH]n1	ZINC000816490031	586735657	/nfs/dbraw/zinc/73/56/57/586735657.db2.gz	JTZMRYLCTRWFIH-UHFFFAOYSA-N	0	1	234.303	0.903	20	30		BCEDMN
C#CCCCC(=O)NC[C@@H]1CN2CCN1CCC2	ZINC000816531402	586739587	/nfs/dbraw/zinc/73/95/87/586739587.db2.gz	QGVNBJTTXSDBKK-CYBMUJFWSA-N	0	1	249.358	0.296	20	30		BCEDMN
CN(C)c1ccncc1C=NN[C@@H]1CCC[C@H]1O	ZINC000817335914	586796862	/nfs/dbraw/zinc/79/68/62/586796862.db2.gz	RTFNYBVQERXPSU-DGCLKSJQSA-N	0	1	248.330	0.985	20	30		BCEDMN
N#CC1CN(C(=O)c2cc(C3CC3)[nH]n2)C1	ZINC000817547063	586810196	/nfs/dbraw/zinc/81/01/96/586810196.db2.gz	RHFIBRYDRAQOFA-UHFFFAOYSA-N	0	1	216.244	0.883	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817680998	586817808	/nfs/dbraw/zinc/81/78/08/586817808.db2.gz	BNUUEQDRVNQCEW-ZJUUUORDSA-N	0	1	213.277	0.720	20	30		BCEDMN
C[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1	ZINC000817772339	586826952	/nfs/dbraw/zinc/82/69/52/586826952.db2.gz	UWNZVMYDAFAQCF-SKDRFNHKSA-N	0	1	248.282	0.997	20	30		BCEDMN
N#CCSCCC[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000819090826	586930215	/nfs/dbraw/zinc/93/02/15/586930215.db2.gz	FOSUIPFTLFAQEC-SECBINFHSA-N	0	1	244.316	0.419	20	30		BCEDMN
CON(C)C(=O)CCNCC(C)(C)C#N	ZINC000819218514	586939182	/nfs/dbraw/zinc/93/91/82/586939182.db2.gz	HUEDLECGHWHODW-UHFFFAOYSA-N	0	1	213.281	0.536	20	30		BCEDMN
C#C[C@H](NC[C@@H](C)S(C)(=O)=O)[C@@H]1CCCO1	ZINC000819242088	586940395	/nfs/dbraw/zinc/94/03/95/586940395.db2.gz	JKLLPOCZNIUKIK-VWYCJHECSA-N	0	1	245.344	0.190	20	30		BCEDMN
CCOC(=O)CC[C@@H](O)CNCCC#N	ZINC000819269391	586945245	/nfs/dbraw/zinc/94/52/45/586945245.db2.gz	GZGGMLYEDDAEQF-SECBINFHSA-N	0	1	214.265	0.194	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000819604510	586981118	/nfs/dbraw/zinc/98/11/18/586981118.db2.gz	FDSRSTIYFAIPIA-JLIMGVALSA-N	0	1	240.259	0.359	20	30		BCEDMN
C[C@@H](O)CN(C)N=Cc1ccncc1N	ZINC000819813606	586998187	/nfs/dbraw/zinc/99/81/87/586998187.db2.gz	PUAHJGDDRUQWCP-MRVPVSSYSA-N	0	1	208.265	0.310	20	30		BCEDMN
CC[N@H+]1CCC(=NNCCC(=O)[O-])[C@H](C)C1	ZINC000820348315	587044526	/nfs/dbraw/zinc/04/45/26/587044526.db2.gz	QTUHNDAPADBKAX-SECBINFHSA-N	0	1	227.308	0.768	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1	ZINC000820400467	587046145	/nfs/dbraw/zinc/04/61/45/587046145.db2.gz	OOANOZACAXJMQE-MRVPVSSYSA-N	0	1	235.291	0.749	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000820422998	587047890	/nfs/dbraw/zinc/04/78/90/587047890.db2.gz	QCGWTRYAMIWYPL-BQBZGAKWSA-N	0	1	207.237	0.187	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C2CCC2)CC1	ZINC000820435306	587048852	/nfs/dbraw/zinc/04/88/52/587048852.db2.gz	HVJRQFBVZUELHT-NSHDSACASA-N	0	1	235.331	0.888	20	30		BCEDMN
C[N@H+]1CCCC(=NNCCC(=O)[O-])CC1	ZINC000820620549	587059592	/nfs/dbraw/zinc/05/95/92/587059592.db2.gz	OQELABOZQZZFHV-UHFFFAOYSA-N	0	1	213.281	0.522	20	30		BCEDMN
C=C(C)COCCNC(=O)CN1CCCC1	ZINC000820959241	587084394	/nfs/dbraw/zinc/08/43/94/587084394.db2.gz	GXEZKHWHLQISDN-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
C#CCN[C@@H](c1cnn(C)c1)C1(CO)CCC1	ZINC000821288754	587105010	/nfs/dbraw/zinc/10/50/10/587105010.db2.gz	WLWBJPMJKBSVQY-LBPRGKRZSA-N	0	1	233.315	0.847	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H](C)N(C)C)[C@@H]1CCCO1	ZINC000822073791	587150936	/nfs/dbraw/zinc/15/09/36/587150936.db2.gz	UGMXJZMRDDEEEL-MXWKQRLJSA-N	0	1	224.304	0.234	20	30		BCEDMN
N#CCC1(CNC(=O)CN2CCCC2)CC1	ZINC000822628147	587178484	/nfs/dbraw/zinc/17/84/84/587178484.db2.gz	QJNQFWLRGOCUIC-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)CCCc1nn[nH]n1	ZINC000823254823	587211542	/nfs/dbraw/zinc/21/15/42/587211542.db2.gz	DZUBXOBCMXPOGY-LLVKDONJSA-N	0	1	235.291	0.441	20	30		BCEDMN
C#C[C@@H](CO)NC(=O)[C@H]1CCN1C1CCCC1	ZINC000823313644	587215971	/nfs/dbraw/zinc/21/59/71/587215971.db2.gz	BRDKMWQOCPHGRB-CMPLNLGQSA-N	0	1	236.315	0.114	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-]	ZINC000823451651	587222845	/nfs/dbraw/zinc/22/28/45/587222845.db2.gz	ZGQQVLDXGAVPQC-VHSXEESVSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-]	ZINC000823451646	587222920	/nfs/dbraw/zinc/22/29/20/587222920.db2.gz	ZGQQVLDXGAVPQC-NXEZZACHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823495964	587226902	/nfs/dbraw/zinc/22/69/02/587226902.db2.gz	BLDMTJGGENEMNI-GHMZBOCLSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCCN(C(=O)[O-])CC1	ZINC000823495926	587226949	/nfs/dbraw/zinc/22/69/49/587226949.db2.gz	ANTHCNSMXJLAKO-NSHDSACASA-N	0	1	242.319	0.999	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823507140	587228149	/nfs/dbraw/zinc/22/81/49/587228149.db2.gz	SXUTWPKPCHJADA-SECBINFHSA-N	0	1	241.291	0.021	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823507140	587228150	/nfs/dbraw/zinc/22/81/50/587228150.db2.gz	SXUTWPKPCHJADA-SECBINFHSA-N	0	1	241.291	0.021	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)[C@@H]1CCCCN1C	ZINC000823541239	587230373	/nfs/dbraw/zinc/23/03/73/587230373.db2.gz	KHDGDQXFFDDKMP-NEPJUHHUSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N(C)Cc1cn[nH]c1C	ZINC000824055229	587252206	/nfs/dbraw/zinc/25/22/06/587252206.db2.gz	BPFIUPGZBUKALT-JTQLQIEISA-N	0	1	235.287	0.715	20	30		BCEDMN
CC(C)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000824280641	587264478	/nfs/dbraw/zinc/26/44/78/587264478.db2.gz	RSSYPWRQMPHCCM-UHFFFAOYSA-N	0	1	217.236	0.591	20	30		BCEDMN
CCN(C(=O)CN1CCCC1)[C@H](C)C#N	ZINC000824688152	587282849	/nfs/dbraw/zinc/28/28/49/587282849.db2.gz	SYYDOEZDHJRQOS-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)[C@@H](C)N(C)C)C1	ZINC000824870694	587291588	/nfs/dbraw/zinc/29/15/88/587291588.db2.gz	XNTOXXCLKAWAKG-GHMZBOCLSA-N	0	1	208.305	0.808	20	30		BCEDMN
CC[C@@H](C)Cn1c(N)nc(-c2nn[nH]n2)c1C#N	ZINC000825067740	587302237	/nfs/dbraw/zinc/30/22/37/587302237.db2.gz	LLUDMWBCHCJBHW-ZCFIWIBFSA-N	0	1	246.278	0.563	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@@H]1CCCCN1C	ZINC000825080831	587303345	/nfs/dbraw/zinc/30/33/45/587303345.db2.gz	XSXWURNLZXMFSS-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825665099	587330428	/nfs/dbraw/zinc/33/04/28/587330428.db2.gz	UHARZZZGUSGJNP-WDEREUQCSA-N	0	1	243.303	0.489	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000825664954	587330660	/nfs/dbraw/zinc/33/06/60/587330660.db2.gz	RGQHIVZTXBQVAR-GARJFASQSA-N	0	1	227.304	0.966	20	30		BCEDMN
CC#CC[N@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825710886	587333257	/nfs/dbraw/zinc/33/32/57/587333257.db2.gz	GDEUQASRDMWEFC-JTQLQIEISA-N	0	1	213.277	0.820	20	30		BCEDMN
CC#CC[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825710886	587333258	/nfs/dbraw/zinc/33/32/58/587333258.db2.gz	GDEUQASRDMWEFC-JTQLQIEISA-N	0	1	213.277	0.820	20	30		BCEDMN
CC[C@@H]1OCC[C@H]1C(=O)NCC#CCN(C)C	ZINC000827972297	587413820	/nfs/dbraw/zinc/41/38/20/587413820.db2.gz	YMMAVWOYSOZZAE-NEPJUHHUSA-N	0	1	238.331	0.483	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(C=O)cn1	ZINC000827972261	587413841	/nfs/dbraw/zinc/41/38/41/587413841.db2.gz	XSAVUGGFYYWZFX-UHFFFAOYSA-N	0	1	245.282	0.189	20	30		BCEDMN
CC(C)C#CC(=O)N1CCc2[nH]nnc2C1	ZINC000828941995	587473649	/nfs/dbraw/zinc/47/36/49/587473649.db2.gz	HSXUDLMEHJSFKS-UHFFFAOYSA-N	0	1	218.260	0.349	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000829377351	587494825	/nfs/dbraw/zinc/49/48/25/587494825.db2.gz	UKIVPIPWMINTFO-LLVKDONJSA-N	0	1	241.294	0.610	20	30		BCEDMN
CC[N@H+](CCC#N)CCC(=O)N(C)CC(=O)[O-]	ZINC000829697425	587509983	/nfs/dbraw/zinc/50/99/83/587509983.db2.gz	NIOLRNRYOACVEC-UHFFFAOYSA-N	0	1	241.291	0.155	20	30		BCEDMN
CC[N@@H+](CCC#N)CCC(=O)N(C)CC(=O)[O-]	ZINC000829697425	587509985	/nfs/dbraw/zinc/50/99/85/587509985.db2.gz	NIOLRNRYOACVEC-UHFFFAOYSA-N	0	1	241.291	0.155	20	30		BCEDMN
CC(C)C#CC(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000830907913	587576897	/nfs/dbraw/zinc/57/68/97/587576897.db2.gz	XYESYDZJENHBIF-JTQLQIEISA-N	0	1	247.302	0.565	20	30		BCEDMN
N#CCCCN1CC[C@H]2COC(=O)N[C@@H]2C1	ZINC000830910528	587577203	/nfs/dbraw/zinc/57/72/03/587577203.db2.gz	SQENLPZGSSKKTM-VHSXEESVSA-N	0	1	223.276	0.720	20	30		BCEDMN
C[NH+]1CCN(N=Cc2c[nH]c(C(=O)[O-])c2)CC1	ZINC000830954690	587578402	/nfs/dbraw/zinc/57/84/02/587578402.db2.gz	FPRYVMAULHICCH-UHFFFAOYSA-N	0	1	236.275	0.294	20	30		BCEDMN
C=C1CCC(CNC(=O)CCc2nn[nH]n2)CC1	ZINC000830985459	587580079	/nfs/dbraw/zinc/58/00/79/587580079.db2.gz	SLUMKPJKGJXINU-UHFFFAOYSA-N	0	1	249.318	0.995	20	30		BCEDMN
C#CCNC(=O)CN(CC)CCSC	ZINC000830993877	587580633	/nfs/dbraw/zinc/58/06/33/587580633.db2.gz	GZZPZQUFIJXVKH-UHFFFAOYSA-N	0	1	214.334	0.421	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@@H](O)C2CC2)c1	ZINC000831271687	587594801	/nfs/dbraw/zinc/59/48/01/587594801.db2.gz	JYRFNZIYEVNNPH-NSHDSACASA-N	0	1	232.239	0.973	20	30		BCEDMN
COCn1ccc(C(=O)N=C2C[C@H](C)ON2)n1	ZINC000831400385	587603769	/nfs/dbraw/zinc/60/37/69/587603769.db2.gz	YIWXSJSESFPMMY-ZETCQYMHSA-N	0	1	238.247	0.339	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@]2(CCOC2)C1	ZINC000832332319	587654426	/nfs/dbraw/zinc/65/44/26/587654426.db2.gz	IFAOSKRXUUEUAX-CYBMUJFWSA-N	0	1	236.315	0.238	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000832697891	587678273	/nfs/dbraw/zinc/67/82/73/587678273.db2.gz	JKQWVXHKTZYMOZ-GRYCIOLGSA-N	0	1	236.315	0.187	20	30		BCEDMN
N#CCCC[N@@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000833066075	587699021	/nfs/dbraw/zinc/69/90/21/587699021.db2.gz	VLAPMDJLNNHPTK-SECBINFHSA-N	0	1	200.213	0.789	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833362137	587707221	/nfs/dbraw/zinc/70/72/21/587707221.db2.gz	APQBUOGSMHRSPP-VHSXEESVSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833362418	587708355	/nfs/dbraw/zinc/70/83/55/587708355.db2.gz	QSNBOOCCCNEJEP-ZJUUUORDSA-N	0	1	239.271	0.348	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833362418	587708356	/nfs/dbraw/zinc/70/83/56/587708356.db2.gz	QSNBOOCCCNEJEP-ZJUUUORDSA-N	0	1	239.271	0.348	20	30		BCEDMN
C=C(C)C[N@H+](C)[C@H](C)C(=O)NCC(=O)[O-]	ZINC000833368782	587709311	/nfs/dbraw/zinc/70/93/11/587709311.db2.gz	URXXBYQQPCBXIU-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833369116	587709396	/nfs/dbraw/zinc/70/93/96/587709396.db2.gz	GIOSXBWRDZGNGG-NXEZZACHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833369356	587709795	/nfs/dbraw/zinc/70/97/95/587709795.db2.gz	SJJGVRWRCIVKRD-ZJUUUORDSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833369356	587709796	/nfs/dbraw/zinc/70/97/96/587709796.db2.gz	SJJGVRWRCIVKRD-ZJUUUORDSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CCCC[N@H+](C)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833374006	587710690	/nfs/dbraw/zinc/71/06/90/587710690.db2.gz	NEWCKOJSEHLSKM-SNVBAGLBSA-N	0	1	240.303	0.775	20	30		BCEDMN
CC#CCN1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833380617	587711313	/nfs/dbraw/zinc/71/13/13/587711313.db2.gz	LCQDFBJRFVAGBO-NSHDSACASA-N	0	1	224.304	0.491	20	30		BCEDMN
C[N@@H+](CCO)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833693635	587728323	/nfs/dbraw/zinc/72/83/23/587728323.db2.gz	IVUHXNPWKYTYJC-LLVKDONJSA-N	0	1	234.255	0.608	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1CCSCC1	ZINC000834488663	587755863	/nfs/dbraw/zinc/75/58/63/587755863.db2.gz	FTDQKVNLKKSCLW-VHSXEESVSA-N	0	1	239.344	0.357	20	30		BCEDMN
CCCc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)[nH]n1	ZINC000834479525	587756108	/nfs/dbraw/zinc/75/61/08/587756108.db2.gz	FKSOEMWNMXRVDI-GZMMTYOYSA-N	0	1	247.302	0.204	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC12CCOCC2	ZINC000834480089	587756314	/nfs/dbraw/zinc/75/63/14/587756314.db2.gz	KWSHNPABNHTRRG-VWYCJHECSA-N	0	1	249.314	0.031	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cncc(F)c1	ZINC000834480537	587756337	/nfs/dbraw/zinc/75/63/37/587756337.db2.gz	RSMUSJRKXAUTPI-WCBMZHEXSA-N	0	1	234.234	0.062	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1F	ZINC000834480831	587756454	/nfs/dbraw/zinc/75/64/54/587756454.db2.gz	WWKAEYHCMDDBLG-KOLCDFICSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1	ZINC000834483837	587756465	/nfs/dbraw/zinc/75/64/65/587756465.db2.gz	AGSVFQYZAHPOAG-NWDGAFQWSA-N	0	1	240.266	0.400	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C(C1CC1)C1CC1	ZINC000834480795	587756470	/nfs/dbraw/zinc/75/64/70/587756470.db2.gz	WFTGLVQWPLASPM-MNOVXSKESA-N	0	1	233.315	0.650	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cncc(F)c1	ZINC000834480538	587756476	/nfs/dbraw/zinc/75/64/76/587756476.db2.gz	RSMUSJRKXAUTPI-WPRPVWTQSA-N	0	1	234.234	0.062	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1F	ZINC000834485313	587756536	/nfs/dbraw/zinc/75/65/36/587756536.db2.gz	VEMMNDNXJLDFLT-PWSUYJOCSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC12CC2	ZINC000834485248	587756578	/nfs/dbraw/zinc/75/65/78/587756578.db2.gz	UCFJRBMUOSQJTC-IWSPIJDZSA-N	0	1	205.261	0.014	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccncc1F	ZINC000834488436	587756584	/nfs/dbraw/zinc/75/65/84/587756584.db2.gz	CJNAVNJKTKPRNU-XCBNKYQSSA-N	0	1	234.234	0.062	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C(C)(C)C	ZINC000834488742	587756655	/nfs/dbraw/zinc/75/66/55/587756655.db2.gz	GIJZMYQTAFVURO-UTLUCORTSA-N	0	1	223.320	0.896	20	30		BCEDMN
C[C@]1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1(F)F	ZINC000834485651	587756678	/nfs/dbraw/zinc/75/66/78/587756678.db2.gz	ZTWCGJPESZPXOU-LKEWCRSYSA-N	0	1	229.230	0.259	20	30		BCEDMN
CCc1cccnc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834485017	587756750	/nfs/dbraw/zinc/75/67/50/587756750.db2.gz	QXIIXJKFNQNCHG-MNOVXSKESA-N	0	1	244.298	0.485	20	30		BCEDMN
CC(C)n1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)n1	ZINC000834488943	587756866	/nfs/dbraw/zinc/75/68/66/587756866.db2.gz	HWOHOMLTPLYIQN-KOLCDFICSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(N)cc1	ZINC000834484718	587756872	/nfs/dbraw/zinc/75/68/72/587756872.db2.gz	MDGNCQFXWOQYPF-KOLCDFICSA-N	0	1	230.271	0.110	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)on1	ZINC000834489757	587756892	/nfs/dbraw/zinc/75/68/92/587756892.db2.gz	PDGQBHUVRCIZLA-WPRPVWTQSA-N	0	1	248.286	0.639	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)n1	ZINC000834493893	587756905	/nfs/dbraw/zinc/75/69/05/587756905.db2.gz	ILUYLLDUQQRGCA-CMPLNLGQSA-N	0	1	244.298	0.540	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1cccc(N)c1	ZINC000834493818	587756944	/nfs/dbraw/zinc/75/69/44/587756944.db2.gz	HSPLABXRCLMNEE-JQWIXIFHSA-N	0	1	244.298	0.039	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)n1	ZINC000834493895	587757171	/nfs/dbraw/zinc/75/71/71/587757171.db2.gz	ILUYLLDUQQRGCA-PWSUYJOCSA-N	0	1	244.298	0.540	20	30		BCEDMN
Cc1nscc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834499433	587757322	/nfs/dbraw/zinc/75/73/22/587757322.db2.gz	IKXCYEXMYGSEGE-IONNQARKSA-N	0	1	236.300	0.293	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccccc1N	ZINC000834505860	587757697	/nfs/dbraw/zinc/75/76/97/587757697.db2.gz	OSUFFFQOIGMRSG-PWSUYJOCSA-N	0	1	244.298	0.039	20	30		BCEDMN
CC(C)OCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834500661	587757915	/nfs/dbraw/zinc/75/79/15/587757915.db2.gz	VRJXDXXQYYCTNX-WDEREUQCSA-N	0	1	239.319	0.419	20	30		BCEDMN
CCc1noc(C)c1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834500593	587757924	/nfs/dbraw/zinc/75/79/24/587757924.db2.gz	UZCARSWIKVGPLE-SCZZXKLOSA-N	0	1	248.286	0.387	20	30		BCEDMN
CCc1noc(C)c1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834500595	587757979	/nfs/dbraw/zinc/75/79/79/587757979.db2.gz	UZCARSWIKVGPLE-WPRPVWTQSA-N	0	1	248.286	0.387	20	30		BCEDMN
CCCn1cc(C(=O)N[C@H]2CNC[C@H]2C#N)cn1	ZINC000834500130	587758053	/nfs/dbraw/zinc/75/80/53/587758053.db2.gz	QLGMAIRDNADRPV-KOLCDFICSA-N	0	1	247.302	0.134	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@H]2C#N)cc1	ZINC000834511148	587758139	/nfs/dbraw/zinc/75/81/39/587758139.db2.gz	ISOUVPBMGCAYPY-OLZOCXBDSA-N	0	1	243.310	0.765	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(F)cc1	ZINC000834510335	587758235	/nfs/dbraw/zinc/75/82/35/587758235.db2.gz	AHSDYRRUXCOREO-JQWIXIFHSA-N	0	1	247.273	0.596	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)Cc1ccccc1F	ZINC000834512061	587758294	/nfs/dbraw/zinc/75/82/94/587758294.db2.gz	RJPBGQAJWRTJFZ-CMPLNLGQSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)s1	ZINC000834506564	587758298	/nfs/dbraw/zinc/75/82/98/587758298.db2.gz	UMTOOPCIYZVGBN-IUCAKERBSA-N	0	1	235.312	0.898	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1	ZINC000834515783	587758488	/nfs/dbraw/zinc/75/84/88/587758488.db2.gz	BQTADDMMMCWOIF-KWQFWETISA-N	0	1	245.286	0.128	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(C2CC2)n[nH]1	ZINC000834515784	587758490	/nfs/dbraw/zinc/75/84/90/587758490.db2.gz	BQTADDMMMCWOIF-LDYMZIIASA-N	0	1	245.286	0.128	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1O	ZINC000834512544	587758661	/nfs/dbraw/zinc/75/86/61/587758661.db2.gz	YMNLORPSNIHOQD-MWLCHTKSSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)o1	ZINC000834517713	587758688	/nfs/dbraw/zinc/75/86/88/587758688.db2.gz	YMFOAKOMSPVLIX-RQJHMYQMSA-N	0	1	239.662	0.774	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CC[C@H]1CCCO1	ZINC000834515740	587758699	/nfs/dbraw/zinc/75/86/99/587758699.db2.gz	BJCTTWCFQYNBCQ-MXWKQRLJSA-N	0	1	237.303	0.173	20	30		BCEDMN
Cc1ccccc1CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834512500	587758727	/nfs/dbraw/zinc/75/87/27/587758727.db2.gz	XYWZKEWHAGKEDB-QWHCGFSZSA-N	0	1	243.310	0.765	20	30		BCEDMN
CCOC(=O)c1cc(NC(=O)C#CC2CC2)n[nH]1	ZINC000837515759	587879124	/nfs/dbraw/zinc/87/91/24/587879124.db2.gz	WAAAAJZFCIOLJG-UHFFFAOYSA-N	0	1	247.254	0.938	20	30		BCEDMN
O=C(C#CC1CC1)N1CCN2CCC1CC2	ZINC000837570994	587883018	/nfs/dbraw/zinc/88/30/18/587883018.db2.gz	LGGPMFQGVPCRPJ-UHFFFAOYSA-N	0	1	218.300	0.706	20	30		BCEDMN
C#CCO[C@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1	ZINC000840580395	587912243	/nfs/dbraw/zinc/91/22/43/587912243.db2.gz	UBAKZAAZMFSNPL-JGVFFNPUSA-N	0	1	237.259	0.756	20	30		BCEDMN
C#CCNC(=S)N1CCN([C@H](C)CC)CC1	ZINC000840815379	587923144	/nfs/dbraw/zinc/92/31/44/587923144.db2.gz	KDQWOGWTZQDGTD-LLVKDONJSA-N	0	1	239.388	0.910	20	30		BCEDMN
CCn1nncc1CN=Nc1cc(C)ncn1	ZINC000841627058	587961698	/nfs/dbraw/zinc/96/16/98/587961698.db2.gz	WNEYANUWPCDUEL-UHFFFAOYSA-N	0	1	231.263	0.842	20	30		BCEDMN
Clc1ccc(C=NNC2=NCCN2)o1	ZINC000841658526	587969040	/nfs/dbraw/zinc/96/90/40/587969040.db2.gz	AGAJAVQPXWLDAP-UHFFFAOYSA-N	0	1	212.640	0.816	20	30		BCEDMN
CCC(=NNC1=NCCN1)c1ccc(F)cn1	ZINC000841660504	587969314	/nfs/dbraw/zinc/96/93/14/587969314.db2.gz	QDNQLGIOLBFJOO-UHFFFAOYSA-N	0	1	235.266	0.884	20	30		BCEDMN
FC(F)(F)c1ccc(C=NNC2=NCCN2)[nH]1	ZINC000841659301	587969604	/nfs/dbraw/zinc/96/96/04/587969604.db2.gz	IYUDORKYKSUWJM-UHFFFAOYSA-N	0	1	245.208	0.916	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(N)cc1C	ZINC000841659764	587969679	/nfs/dbraw/zinc/96/96/79/587969679.db2.gz	DDGQQTNJNSWBGJ-UHFFFAOYSA-N	0	1	231.303	0.850	20	30		BCEDMN
Oc1ccc2c(c1)CCC2=NNC1=NCCN1	ZINC000841660894	587970010	/nfs/dbraw/zinc/97/00/10/587970010.db2.gz	KHQXAJIQHBIDCX-UHFFFAOYSA-N	0	1	230.271	0.591	20	30		BCEDMN
COc1ccccc1C=NNC1=NCCN1	ZINC000841662839	587970834	/nfs/dbraw/zinc/97/08/34/587970834.db2.gz	SEUKORFXSCRGLC-UHFFFAOYSA-N	0	1	218.260	0.578	20	30		BCEDMN
C#Cc1cccc(CNC(=O)N2CCNCC2)c1	ZINC000841913654	587984936	/nfs/dbraw/zinc/98/49/36/587984936.db2.gz	SITIWJNSRJUYSU-UHFFFAOYSA-N	0	1	243.310	0.783	20	30		BCEDMN
C=CCONC(=O)N1CCNC[C@@H]1CCC	ZINC000841914080	587985056	/nfs/dbraw/zinc/98/50/56/587985056.db2.gz	YQYGWVXFPZGGKN-JTQLQIEISA-N	0	1	227.308	0.888	20	30		BCEDMN
C#CC1CCN(CN2CCOC2=S)CC1	ZINC000842634297	588047887	/nfs/dbraw/zinc/04/78/87/588047887.db2.gz	SLHQTSSXMPJHKZ-UHFFFAOYSA-N	0	1	224.329	0.906	20	30		BCEDMN
C#CCC[C@H](O)CNC[C@@H](C#N)CCC#N	ZINC000843102075	588080951	/nfs/dbraw/zinc/08/09/51/588080951.db2.gz	SUOWYUUDGUNIDZ-NEPJUHHUSA-N	0	1	219.288	0.794	20	30		BCEDMN
C#CC1CCN([C@H]2CC(=O)N(C)C2=O)CC1	ZINC000843270494	588096808	/nfs/dbraw/zinc/09/68/08/588096808.db2.gz	VVHWEOJWWGLVEY-JTQLQIEISA-N	0	1	220.272	0.089	20	30		BCEDMN
CON=Cc1ccc(C(=O)N2CCNCC2)cc1	ZINC000843289119	588097867	/nfs/dbraw/zinc/09/78/67/588097867.db2.gz	KXGRKRFLXUMLKC-UHFFFAOYSA-N	0	1	247.298	0.712	20	30		BCEDMN
COCC1(CC(=O)N[C@@H]2CNC[C@@H]2C#N)CC1	ZINC000843460310	588112493	/nfs/dbraw/zinc/11/24/93/588112493.db2.gz	NORIRDLEZBMREO-VHSXEESVSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1cccs1	ZINC000843463784	588112891	/nfs/dbraw/zinc/11/28/91/588112891.db2.gz	XWEUCMSGXQZRQP-ZVECUQNESA-N	0	1	247.323	0.989	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1	ZINC000843998664	588154230	/nfs/dbraw/zinc/15/42/30/588154230.db2.gz	GTJUPFZMOXREMM-LLVKDONJSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@@H]1CN(C2CC2)C(=O)O1	ZINC000844323204	588184906	/nfs/dbraw/zinc/18/49/06/588184906.db2.gz	DWLQUZQOTXRHNE-MWLCHTKSSA-N	0	1	222.288	0.923	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@@H]1CN(C2CC2)C(=O)O1	ZINC000844323200	588185023	/nfs/dbraw/zinc/18/50/23/588185023.db2.gz	DWLQUZQOTXRHNE-GXSJLCMTSA-N	0	1	222.288	0.923	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@]2(CC2(F)F)C1	ZINC000844467446	588197812	/nfs/dbraw/zinc/19/78/12/588197812.db2.gz	KXBRHUKEJWNQJE-JTQLQIEISA-N	0	1	228.242	0.467	20	30		BCEDMN
C#CCNCC(=O)NCCc1ccccc1F	ZINC000105861646	588226972	/nfs/dbraw/zinc/22/69/72/588226972.db2.gz	CFKYXLHTWBGKLK-UHFFFAOYSA-N	0	1	234.274	0.707	20	30		BCEDMN
C#CCNCC(=O)NCCOc1ccccc1	ZINC000105861395	588226977	/nfs/dbraw/zinc/22/69/77/588226977.db2.gz	PNICEZSWVAYLMW-UHFFFAOYSA-N	0	1	232.283	0.404	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000845616506	588236423	/nfs/dbraw/zinc/23/64/23/588236423.db2.gz	KMLFCXABGXXDBN-NKWVEPMBSA-N	0	1	239.279	0.979	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NCc1n[nH]c(CC)n1	ZINC000845620014	588236894	/nfs/dbraw/zinc/23/68/94/588236894.db2.gz	ZKYXPEVCTXRBOP-ZETCQYMHSA-N	0	1	239.279	0.672	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NCCN1CCC1	ZINC000845628138	588238080	/nfs/dbraw/zinc/23/80/80/588238080.db2.gz	LSXJYBZZWNOKLO-VIFPVBQESA-N	0	1	213.281	0.497	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N[C@@H]1CCCN(C)C1	ZINC000845639462	588239409	/nfs/dbraw/zinc/23/94/09/588239409.db2.gz	PXDAKZKPLFYYCT-NXEZZACHSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H](O)COCC(C)C	ZINC000846265001	588263408	/nfs/dbraw/zinc/26/34/08/588263408.db2.gz	WHSSAXZSGYRQLC-NSHDSACASA-N	0	1	245.319	0.593	20	30		BCEDMN
C#CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000867426625	588267807	/nfs/dbraw/zinc/26/78/07/588267807.db2.gz	WYUGPRIKMPBWRP-SNVBAGLBSA-N	0	1	219.244	0.067	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@H](C)N1CC[NH+](C)CC1	ZINC000846546150	588274047	/nfs/dbraw/zinc/27/40/47/588274047.db2.gz	SGJNGQJKHWPFIW-MNOVXSKESA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)[C@H](C)[NH+]1CCN(C)CC1	ZINC000846546150	588274048	/nfs/dbraw/zinc/27/40/48/588274048.db2.gz	SGJNGQJKHWPFIW-MNOVXSKESA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H](C)N1CC[NH+](C)CC1	ZINC000846546152	588274122	/nfs/dbraw/zinc/27/41/22/588274122.db2.gz	SGJNGQJKHWPFIW-WDEREUQCSA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@@H](C)[NH+]1CCN(C)CC1	ZINC000846546152	588274123	/nfs/dbraw/zinc/27/41/23/588274123.db2.gz	SGJNGQJKHWPFIW-WDEREUQCSA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCN1CCOCC1	ZINC000846548539	588274750	/nfs/dbraw/zinc/27/47/50/588274750.db2.gz	FQYXUXYKBHRMOZ-SNVBAGLBSA-N	0	1	228.292	0.331	20	30		BCEDMN
C=C[C@H](C)ONC(=O)C1CN(CC(F)F)C1	ZINC000846555008	588276950	/nfs/dbraw/zinc/27/69/50/588276950.db2.gz	NDXOBOJWFORHPA-ZETCQYMHSA-N	0	1	234.246	0.806	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000846677810	588282175	/nfs/dbraw/zinc/28/21/75/588282175.db2.gz	OTZISLBYTYLYAL-NXEZZACHSA-N	0	1	232.287	0.298	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1O	ZINC000846678102	588282263	/nfs/dbraw/zinc/28/22/63/588282263.db2.gz	QWULOCGOSDKXEM-WDEREUQCSA-N	0	1	245.282	0.542	20	30		BCEDMN
CN1CC(C(=O)NCC2(C#N)CC2)=NC1=O	ZINC000847016221	588301685	/nfs/dbraw/zinc/30/16/85/588301685.db2.gz	ZVJBKPXUFVHVAZ-UHFFFAOYSA-N	0	1	220.232	0.159	20	30		BCEDMN
C#C[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1	ZINC000847019372	588302143	/nfs/dbraw/zinc/30/21/43/588302143.db2.gz	PJXUZLPURAHROS-VXGBXAGGSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N2CCC2)C1	ZINC000847026401	588304075	/nfs/dbraw/zinc/30/40/75/588304075.db2.gz	YNYVAHNWILAAOX-NSHDSACASA-N	0	1	206.289	0.564	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1n[nH]c(C)n1)C(C)C	ZINC000847116765	588306736	/nfs/dbraw/zinc/30/67/36/588306736.db2.gz	XCMCVMDZPHNAAZ-SECBINFHSA-N	0	1	220.276	0.430	20	30		BCEDMN
CC[C@H](C#N)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000847174854	588308692	/nfs/dbraw/zinc/30/86/92/588308692.db2.gz	OTBICFFYAJUUNV-BWZBUEFSSA-N	0	1	211.221	0.412	20	30		BCEDMN
C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CC1	ZINC000106862022	588313258	/nfs/dbraw/zinc/31/32/58/588313258.db2.gz	BPPWMOJEGVORDQ-XVYDVKMFSA-N	0	1	206.245	0.630	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NC2=NO[C@H](C)C2)C1	ZINC000847623733	588319194	/nfs/dbraw/zinc/31/91/94/588319194.db2.gz	DPUQDXBWZSFHKZ-RKDXNWHRSA-N	0	1	225.292	0.567	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NC2=NO[C@@H](C)C2)C1	ZINC000847623732	588319367	/nfs/dbraw/zinc/31/93/67/588319367.db2.gz	DPUQDXBWZSFHKZ-IUCAKERBSA-N	0	1	225.292	0.567	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NC2=NO[C@@H](C)C2)C1	ZINC000847623674	588319433	/nfs/dbraw/zinc/31/94/33/588319433.db2.gz	DPUQDXBWZSFHKZ-BDAKNGLRSA-N	0	1	225.292	0.567	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000850763372	588564562	/nfs/dbraw/zinc/56/45/62/588564562.db2.gz	DDLICUKWBXVIAS-KDXUFGMBSA-N	0	1	206.245	0.487	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CCCF	ZINC000850762061	588565703	/nfs/dbraw/zinc/56/57/03/588565703.db2.gz	VJEZXKLMFHFVSL-MRVPVSSYSA-N	0	1	214.240	0.970	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](OC)C1CCC1	ZINC000850765277	588565785	/nfs/dbraw/zinc/56/57/85/588565785.db2.gz	YPUOMKHWCLJTST-PSASIEDQSA-N	0	1	224.260	0.256	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CCC1(C)C	ZINC000850764173	588565789	/nfs/dbraw/zinc/56/57/89/588565789.db2.gz	NUHLZZWBGGCFAU-JGVFFNPUSA-N	0	1	208.261	0.877	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC2(CC2)C1	ZINC000850765118	588565965	/nfs/dbraw/zinc/56/59/65/588565965.db2.gz	XCCQNOOSTXVNLA-QMMMGPOBSA-N	0	1	206.245	0.631	20	30		BCEDMN
C#CCN(CC#CC)C[C@H](OC)[C@@H]1CCOC1	ZINC000851784815	588628450	/nfs/dbraw/zinc/62/84/50/588628450.db2.gz	LKKOZKGGZKSAIO-KGLIPLIRSA-N	0	1	235.327	0.996	20	30		BCEDMN
C#CCCN1CCN(Cc2cn(C)cn2)CC1	ZINC000851872488	588637798	/nfs/dbraw/zinc/63/77/98/588637798.db2.gz	FAUBDQWGNUTQJQ-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C[C@H](C(N)=O)N(C)CCc1ccc(C#N)cc1	ZINC000851891274	588640776	/nfs/dbraw/zinc/64/07/76/588640776.db2.gz	NXMFZOGPUBSGIS-SNVBAGLBSA-N	0	1	231.299	0.906	20	30		BCEDMN
C#CCOCCN(CCCCC)CC(N)=O	ZINC000851911712	588642836	/nfs/dbraw/zinc/64/28/36/588642836.db2.gz	DCYKVURMNXWTMO-UHFFFAOYSA-N	0	1	226.320	0.614	20	30		BCEDMN
C#C[C@H](NC[C@H]1CCC(=O)O1)[C@H]1CCCO1	ZINC000851949811	588647053	/nfs/dbraw/zinc/64/70/53/588647053.db2.gz	JQBKAICICCQVRK-OUAUKWLOSA-N	0	1	223.272	0.462	20	30		BCEDMN
C#C[C@H](NC[C@H](O)c1ccccn1)[C@@H]1CCCO1	ZINC000851949599	588647131	/nfs/dbraw/zinc/64/71/31/588647131.db2.gz	GPOBDZODDTVJPW-UBHSHLNASA-N	0	1	246.310	0.885	20	30		BCEDMN
C#CCOCCN1C[C@@H](C)O[C@@]2(CCOC2)C1	ZINC000852001039	588653960	/nfs/dbraw/zinc/65/39/60/588653960.db2.gz	DBBACWVWWVEBBX-OLZOCXBDSA-N	0	1	239.315	0.516	20	30		BCEDMN
C=CC[N@H+](CC[S@](C)=O)[C@@H](C)COC	ZINC000852356569	588679747	/nfs/dbraw/zinc/67/97/47/588679747.db2.gz	INHYZYYDBKIFFN-HZMBPMFUSA-N	0	1	219.350	0.888	20	30		BCEDMN
C=CCN(CC[S@](C)=O)[C@@H](C)COC	ZINC000852356569	588679748	/nfs/dbraw/zinc/67/97/48/588679748.db2.gz	INHYZYYDBKIFFN-HZMBPMFUSA-N	0	1	219.350	0.888	20	30		BCEDMN
CC#CCN1CCC(NC(=O)OC)CC1	ZINC000852768059	588701297	/nfs/dbraw/zinc/70/12/97/588701297.db2.gz	UBQQSAZHGSOHJY-UHFFFAOYSA-N	0	1	210.277	0.830	20	30		BCEDMN
CC1(C)CC[C@@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852828529	588706482	/nfs/dbraw/zinc/70/64/82/588706482.db2.gz	YJAUEGXOYVNQHP-IVZWLZJFSA-N	0	1	221.304	0.650	20	30		BCEDMN
Cc1ccncc1CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852828251	588706496	/nfs/dbraw/zinc/70/64/96/588706496.db2.gz	WIBOBFDXGGQSMD-VXGBXAGGSA-N	0	1	244.298	0.160	20	30		BCEDMN
C#CC[C@@H](COC)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000861274695	589155919	/nfs/dbraw/zinc/15/59/19/589155919.db2.gz	GYPXLTRSKDCAHD-DJLDLDEBSA-N	0	1	227.216	0.233	20	30		BCEDMN
C=CCNC(=O)CNCc1ccnc(F)c1C	ZINC000862294914	589200806	/nfs/dbraw/zinc/20/08/06/589200806.db2.gz	UZWXEXWJGOXRAF-UHFFFAOYSA-N	0	1	237.278	0.921	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)c2ccn[nH]2)C1	ZINC000862561064	589222069	/nfs/dbraw/zinc/22/20/69/589222069.db2.gz	CQLLFJPFLRYCFA-SECBINFHSA-N	0	1	203.245	0.895	20	30		BCEDMN
O=c1nc(NN=C[C@@H]2CC23CC3)[nH]c2[nH]ncc21	ZINC000863091133	589255178	/nfs/dbraw/zinc/25/51/78/589255178.db2.gz	AWFYYVSEMKVQRT-LURJTMIESA-N	0	1	244.258	0.630	20	30		BCEDMN
CCn1nncc1C=NNc1ccncc1C	ZINC000863158206	589263789	/nfs/dbraw/zinc/26/37/89/589263789.db2.gz	RCPVYRXAHCTZQU-UHFFFAOYSA-N	0	1	230.275	0.869	20	30		BCEDMN
COCC(COC)NN=C1C[N@H+]2C[C@@H]1CCC2	ZINC000863193654	589270196	/nfs/dbraw/zinc/27/01/96/589270196.db2.gz	UJDNYGYTJOMXDC-JTQLQIEISA-N	0	1	241.335	0.319	20	30		BCEDMN
COCC(COC)NN=C1CN2C[C@@H]1CCC2	ZINC000863193654	589270197	/nfs/dbraw/zinc/27/01/97/589270197.db2.gz	UJDNYGYTJOMXDC-JTQLQIEISA-N	0	1	241.335	0.319	20	30		BCEDMN
CC(C)(C)C#CC(=O)NCCN1CC[C@@H](O)C1	ZINC000863318026	589279384	/nfs/dbraw/zinc/27/93/84/589279384.db2.gz	SDDAIUQGJWIXPA-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)[C@H](C)N(C)C	ZINC000863785324	589317844	/nfs/dbraw/zinc/31/78/44/589317844.db2.gz	CSFPPHAHQRDTAE-WDEREUQCSA-N	0	1	226.320	0.481	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)c1[nH]nc2c1CCC2	ZINC000863796775	589318863	/nfs/dbraw/zinc/31/88/63/589318863.db2.gz	SZQLDEHWMXNBEG-SECBINFHSA-N	0	1	247.298	0.667	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CN1CC[C@H](C)C1	ZINC000863804431	589320296	/nfs/dbraw/zinc/32/02/96/589320296.db2.gz	FSABDBNBCBCKGO-NWDGAFQWSA-N	0	1	238.331	0.483	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)CN(C)C1CCC1	ZINC000863944656	589328817	/nfs/dbraw/zinc/32/88/17/589328817.db2.gz	PAKHOOANFMDZBA-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
N#CCC1CN(C(=O)C2CN([C@H]3CCOC3)C2)C1	ZINC000864068697	589338591	/nfs/dbraw/zinc/33/85/91/589338591.db2.gz	VDRQKBVKCMGTKR-LBPRGKRZSA-N	0	1	249.314	0.079	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1	ZINC000864266273	589352733	/nfs/dbraw/zinc/35/27/33/589352733.db2.gz	GDINTDVXOOTFLP-JTQLQIEISA-N	0	1	247.302	0.668	20	30		BCEDMN
C=C(Cn1ccnc1CN)C(=O)OCC	ZINC000864620562	589384562	/nfs/dbraw/zinc/38/45/62/589384562.db2.gz	SVKMOAWKOOHOEN-UHFFFAOYSA-N	0	1	209.249	0.461	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)[C@@]1(C#N)CCCOC1	ZINC000864776780	589393713	/nfs/dbraw/zinc/39/37/13/589393713.db2.gz	YQHCPNIRGBAWBH-GFCCVEGCSA-N	0	1	248.286	0.655	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@H](O)c1c[nH]cn1	ZINC000864979758	589401706	/nfs/dbraw/zinc/40/17/06/589401706.db2.gz	QMRUKQBOBUOSSN-VXNVDRBHSA-N	0	1	222.248	0.061	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864979755	589403201	/nfs/dbraw/zinc/40/32/01/589403201.db2.gz	QMRUKQBOBUOSSN-APPZFPTMSA-N	0	1	222.248	0.061	20	30		BCEDMN
C=C1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1	ZINC000865177945	589412784	/nfs/dbraw/zinc/41/27/84/589412784.db2.gz	NYFRNZVZRLPUFH-SNVBAGLBSA-N	0	1	221.260	0.622	20	30		BCEDMN
C#C[C@@H](CO)Nc1ccncc1C(F)(F)F	ZINC000865850397	589464981	/nfs/dbraw/zinc/46/49/81/589464981.db2.gz	XQLPPOPLSOZBOQ-ZETCQYMHSA-N	0	1	230.189	0.928	20	30		BCEDMN
C#CCCCCNC(=O)CCc1nn[nH]n1	ZINC000866547995	589500331	/nfs/dbraw/zinc/50/03/31/589500331.db2.gz	IHOMLDCXKKQMGU-UHFFFAOYSA-N	0	1	221.264	0.052	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1c[nH]nn1)C(C)C	ZINC000868021516	589544763	/nfs/dbraw/zinc/54/47/63/589544763.db2.gz	CDFCOHWWZHTYDE-SNVBAGLBSA-N	0	1	220.276	0.511	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnn[nH]1)C(C)C	ZINC000868021516	589544764	/nfs/dbraw/zinc/54/47/64/589544764.db2.gz	CDFCOHWWZHTYDE-SNVBAGLBSA-N	0	1	220.276	0.511	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCCCO1	ZINC000121987594	589546252	/nfs/dbraw/zinc/54/62/52/589546252.db2.gz	IISBSJJOQBICOL-UWVGGRQHSA-N	0	1	236.271	0.543	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869187521	589592554	/nfs/dbraw/zinc/59/25/54/589592554.db2.gz	TXOQZDDYXXAWAL-ONGXEEELSA-N	0	1	233.271	0.315	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C	ZINC000870154092	589646085	/nfs/dbraw/zinc/64/60/85/589646085.db2.gz	YMVKHVJCKHZTDA-JDDHQFAOSA-N	0	1	220.272	0.733	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)/C=C/COC	ZINC000870194093	589648358	/nfs/dbraw/zinc/64/83/58/589648358.db2.gz	IRUUEWXXOCZROR-PZBABLGHSA-N	0	1	237.299	0.830	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)/C=C\COC	ZINC000870194092	589648480	/nfs/dbraw/zinc/64/84/80/589648480.db2.gz	IRUUEWXXOCZROR-HWPRWLFBSA-N	0	1	237.299	0.830	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)c1coc(C#N)c1	ZINC000870934113	589698237	/nfs/dbraw/zinc/69/82/37/589698237.db2.gz	FNYQMBJTKPWQLF-QMMMGPOBSA-N	0	1	219.244	0.585	20	30		BCEDMN
C=CCN1CC[C@@H](N[C@H](C)c2ccnn2C)C1=O	ZINC000871925497	589832800	/nfs/dbraw/zinc/83/28/00/589832800.db2.gz	CDAITTANKLRCPY-GHMZBOCLSA-N	0	1	248.330	0.858	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@@H]1CCCn2nccc21	ZINC000871930664	589833809	/nfs/dbraw/zinc/83/38/09/589833809.db2.gz	ZDCJDKCCPYEIFJ-GHMZBOCLSA-N	0	1	246.314	0.446	20	30		BCEDMN
C[C@@H](C#N)CNC[C@H](O)CC(C)(C)O	ZINC000872200489	589890286	/nfs/dbraw/zinc/89/02/86/589890286.db2.gz	IQXLBKNSLDTGRG-DTWKUNHWSA-N	0	1	200.282	0.258	20	30		BCEDMN
C[C@H](C#N)CNC[C@@H](O)CC(C)(C)O	ZINC000872200480	589890501	/nfs/dbraw/zinc/89/05/01/589890501.db2.gz	IQXLBKNSLDTGRG-BDAKNGLRSA-N	0	1	200.282	0.258	20	30		BCEDMN
CC(C)(O)C[C@H](O)CNCC(C)(C)C#N	ZINC000872205627	589892084	/nfs/dbraw/zinc/89/20/84/589892084.db2.gz	KIZNOSOKKCGWSY-VIFPVBQESA-N	0	1	214.309	0.648	20	30		BCEDMN
COC[C@H](C)NN=Cc1c(C)ccnc1N	ZINC000872363223	589920099	/nfs/dbraw/zinc/92/00/99/589920099.db2.gz	UGORXVUJTXFTPK-VIFPVBQESA-N	0	1	222.292	0.931	20	30		BCEDMN
COc1nccnc1N=NC1CCN(C)[C@H]1C	ZINC000872366686	589921339	/nfs/dbraw/zinc/92/13/39/589921339.db2.gz	HWBTUNQUPHKTIW-QMMMGPOBSA-N	0	1	235.291	0.977	20	30		BCEDMN
C[C@H]1C(N=Nc2cncnc2)CCN1C	ZINC000872373091	589924465	/nfs/dbraw/zinc/92/44/65/589924465.db2.gz	ZBGMJLNXKAEILB-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@H+](C)[C@H]1C)C(=O)[O-]	ZINC000872376489	589925364	/nfs/dbraw/zinc/92/53/64/589925364.db2.gz	LNRFHADWXCRUJA-JGVFFNPUSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@@H](NN=C1CC[N@@H+](C)[C@H]1C)C(=O)[O-]	ZINC000872376489	589925366	/nfs/dbraw/zinc/92/53/66/589925366.db2.gz	LNRFHADWXCRUJA-JGVFFNPUSA-N	0	1	213.281	0.519	20	30		BCEDMN
C[C@@H]1C(N=Nc2cnnn2C)CCN1C	ZINC000872379341	589927338	/nfs/dbraw/zinc/92/73/38/589927338.db2.gz	USIXCWKNCRIRFW-SSDOTTSWSA-N	0	1	208.269	0.307	20	30		BCEDMN
C[C@H]1C(N=Nc2cnnn2C)CCN1C	ZINC000872379342	589927504	/nfs/dbraw/zinc/92/75/04/589927504.db2.gz	USIXCWKNCRIRFW-ZETCQYMHSA-N	0	1	208.269	0.307	20	30		BCEDMN
Cc1cc(N=NC2CCN(C)[C@@H]2C)nc(N)n1	ZINC000872421713	589938478	/nfs/dbraw/zinc/93/84/78/589938478.db2.gz	VOHSMQQVDUSERX-MRVPVSSYSA-N	0	1	234.307	0.859	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000125100655	590120363	/nfs/dbraw/zinc/12/03/63/590120363.db2.gz	HNRLXVKXCNNOQL-OPRDCNLKSA-N	0	1	238.287	0.504	20	30		BCEDMN
CCOC1CC(C(=O)N[C@@H]2CNC[C@H]2C#N)C1	ZINC000876801555	590243041	/nfs/dbraw/zinc/24/30/41/590243041.db2.gz	FIWLVHFUEWOQBZ-VGRIYTJTSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCOC1CC(C(=O)N[C@@H]2CNC[C@@H]2C#N)C1	ZINC000876801554	590243294	/nfs/dbraw/zinc/24/32/94/590243294.db2.gz	FIWLVHFUEWOQBZ-QONHTCSSSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCO[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C(C)C	ZINC000876801340	590243383	/nfs/dbraw/zinc/24/33/83/590243383.db2.gz	BKQPRGVRIZGHEN-AXFHLTTASA-N	0	1	239.319	0.275	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1(C(F)F)CCC1	ZINC000876802498	590243702	/nfs/dbraw/zinc/24/37/02/590243702.db2.gz	PLYDULLYGABINQ-HTQZYQBOSA-N	0	1	243.257	0.650	20	30		BCEDMN
CC/C=C(\F)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876802536	590243704	/nfs/dbraw/zinc/24/37/04/590243704.db2.gz	QBTPXIGPKRMFGV-RVSWPMMESA-N	0	1	211.240	0.478	20	30		BCEDMN
C#CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1	ZINC000876942689	590259600	/nfs/dbraw/zinc/25/96/00/590259600.db2.gz	BPZRFRSALIHEFT-LBPRGKRZSA-N	0	1	247.254	0.518	20	30		BCEDMN
CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1	ZINC000877038314	590272613	/nfs/dbraw/zinc/27/26/13/590272613.db2.gz	MDJWDUTUYYDDOC-SNVBAGLBSA-N	0	1	224.304	0.141	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)C[C@@H](C)C(=O)NC	ZINC000878161780	590510821	/nfs/dbraw/zinc/51/08/21/590510821.db2.gz	CBUPPBAOEGWLSG-ZJUUUORDSA-N	0	1	242.319	0.418	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCc2cn[nH]c2C1	ZINC000878290510	590535534	/nfs/dbraw/zinc/53/55/34/590535534.db2.gz	ADNSNGQFNCYKCM-NSHDSACASA-N	0	1	235.287	0.886	20	30		BCEDMN
C#CCCCCCN1CCN(C(=O)CO)CC1	ZINC000878305292	590538252	/nfs/dbraw/zinc/53/82/52/590538252.db2.gz	WJSDEQWLHSTBRA-UHFFFAOYSA-N	0	1	238.331	0.317	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@@H](O)CC1(O)CCCC1	ZINC000878517747	590585333	/nfs/dbraw/zinc/58/53/33/590585333.db2.gz	WJMGXKXCJNGDDM-RYUDHWBXSA-N	0	1	225.332	0.996	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000878518029	590585574	/nfs/dbraw/zinc/58/55/74/590585574.db2.gz	YYYJXSAXBRHNQD-DRZSPHRISA-N	0	1	225.332	0.852	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1C[C@@H](O)C(C)(C)C1	ZINC000878532174	590587100	/nfs/dbraw/zinc/58/71/00/590587100.db2.gz	QATLYPYCVUKLDV-VHSXEESVSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@@H](CC(N)=O)C1	ZINC000878622049	590597240	/nfs/dbraw/zinc/59/72/40/590597240.db2.gz	RGNYWHDEEMJKAK-UWVGGRQHSA-N	0	1	240.303	0.301	20	30		BCEDMN
CC[C@@H](CC#N)NCCc1nnnn1C	ZINC000878698089	590610948	/nfs/dbraw/zinc/61/09/48/590610948.db2.gz	AOCFOXUHRLYSSD-QMMMGPOBSA-N	0	1	208.269	0.034	20	30		BCEDMN
C#CCN(C[C@@H](O)COC(C)C)C1CSC1	ZINC000878909119	590644684	/nfs/dbraw/zinc/64/46/84/590644684.db2.gz	KTVNULCSCLPWHH-GFCCVEGCSA-N	0	1	243.372	0.823	20	30		BCEDMN
C#CCN(Cc1n[nH]c(CC)n1)C1CSC1	ZINC000878910569	590646668	/nfs/dbraw/zinc/64/66/68/590646668.db2.gz	XLVNHDIFOJRJEY-UHFFFAOYSA-N	0	1	236.344	0.918	20	30		BCEDMN
C#CCN(CCC(=O)N(C)OC)C1CSC1	ZINC000878910572	590647591	/nfs/dbraw/zinc/64/75/91/590647591.db2.gz	XQIBAPXMPHFBHT-UHFFFAOYSA-N	0	1	242.344	0.447	20	30		BCEDMN
C#CCC[N@@H+]1CCC[C@H](c2nnc(N)o2)C1	ZINC000878945839	590657723	/nfs/dbraw/zinc/65/77/23/590657723.db2.gz	QXDYAEJYGVFXMD-VIFPVBQESA-N	0	1	220.276	0.855	20	30		BCEDMN
C#CCN1CCC[C@H](c2nnc(N)o2)C1	ZINC000878946974	590657944	/nfs/dbraw/zinc/65/79/44/590657944.db2.gz	HTMMKHHAHCTTBM-QMMMGPOBSA-N	0	1	206.249	0.464	20	30		BCEDMN
COCC#CCN1CCC([C@H](F)C(N)=O)CC1	ZINC000879041298	590684586	/nfs/dbraw/zinc/68/45/86/590684586.db2.gz	DBRAMDCKDBSNGX-NSHDSACASA-N	0	1	242.294	0.172	20	30		BCEDMN
C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#N	ZINC000879173294	590707032	/nfs/dbraw/zinc/70/70/32/590707032.db2.gz	ISDDRTJIPSCQKI-XCBNKYQSSA-N	0	1	218.260	0.715	20	30		BCEDMN
C#CCNC(=O)CCN(C)[C@H]1CCC[C@@H]1C#N	ZINC000879308809	590735955	/nfs/dbraw/zinc/73/59/55/590735955.db2.gz	IAZGWTDUHPQNBZ-NEPJUHHUSA-N	0	1	233.315	0.750	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(C)(F)CC1	ZINC000879381331	590758111	/nfs/dbraw/zinc/75/81/11/590758111.db2.gz	ZHRYVUSIGBJUBO-JTQLQIEISA-N	0	1	226.295	0.948	20	30		BCEDMN
CC#CCN(CC1CC1)[C@H](C(N)=O)C1CC1	ZINC000879486996	590781147	/nfs/dbraw/zinc/78/11/47/590781147.db2.gz	SRQUVSYBCZKUGN-LBPRGKRZSA-N	0	1	220.316	0.986	20	30		BCEDMN
Cc1cc(C#N)ccc1CN1CC[C@@H](O)[C@@H](O)C1	ZINC000879610930	590829668	/nfs/dbraw/zinc/82/96/68/590829668.db2.gz	WOPQZPVDEYNONO-KGLIPLIRSA-N	0	1	246.310	0.794	20	30		BCEDMN
C[C@]1(NC(=O)C(F)(F)F)CCN(CC#N)C1	ZINC000879762526	590866016	/nfs/dbraw/zinc/86/60/16/590866016.db2.gz	IJICARYNQPBWFR-QMMMGPOBSA-N	0	1	235.209	0.653	20	30		BCEDMN
C#CCNC(=O)CN[C@@H]1CCCn2nccc21	ZINC000879786244	590870359	/nfs/dbraw/zinc/87/03/59/590870359.db2.gz	OQUBKQNPSYUZHL-SNVBAGLBSA-N	0	1	232.287	0.057	20	30		BCEDMN
CC#CCN1CCNC(=O)CC12CCC2	ZINC000880169395	590949307	/nfs/dbraw/zinc/94/93/07/590949307.db2.gz	UAMIWHJIIDLZGT-UHFFFAOYSA-N	0	1	206.289	0.754	20	30		BCEDMN
C#CCOCCC(=O)Nc1cccc2[nH]nnc21	ZINC000880196493	590956783	/nfs/dbraw/zinc/95/67/83/590956783.db2.gz	SHJJGZODMFECBK-UHFFFAOYSA-N	0	1	244.254	0.936	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@H](CF)C1	ZINC000880289352	590984236	/nfs/dbraw/zinc/98/42/36/590984236.db2.gz	LGLFUZVULHPFEL-SECBINFHSA-N	0	1	243.282	0.290	20	30		BCEDMN
C#CCC1(O)CCN(Cc2n[nH]c(CC)n2)CC1	ZINC000880481720	591055302	/nfs/dbraw/zinc/05/53/02/591055302.db2.gz	ZHEFDCSORXWLOY-UHFFFAOYSA-N	0	1	248.330	0.717	20	30		BCEDMN
CCC#C[C@@H](C)[N@H+]1CC[C@](O)(C(=O)OC)C1	ZINC000880564391	591093340	/nfs/dbraw/zinc/09/33/40/591093340.db2.gz	LNWWQVLSGPQSFC-ZYHUDNBSSA-N	0	1	225.288	0.398	20	30		BCEDMN
CCC#C[C@@H](C)N1CC[C@](O)(C(=O)OC)C1	ZINC000880564391	591093344	/nfs/dbraw/zinc/09/33/44/591093344.db2.gz	LNWWQVLSGPQSFC-ZYHUDNBSSA-N	0	1	225.288	0.398	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1	ZINC000880611066	591110634	/nfs/dbraw/zinc/11/06/34/591110634.db2.gz	IIUKFFVHAPELFR-LOWVWBTDSA-N	0	1	240.347	0.865	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1	ZINC000880613294	591111319	/nfs/dbraw/zinc/11/13/19/591111319.db2.gz	SKLFOLVHHHHQJT-JTQLQIEISA-N	0	1	241.335	0.807	20	30		BCEDMN
CNC(C)(C)c1cn(CCO[C@@H](C)C#N)nn1	ZINC000881323190	591190250	/nfs/dbraw/zinc/19/02/50/591190250.db2.gz	CRJIMICBHKRIAY-VIFPVBQESA-N	0	1	237.307	0.661	20	30		BCEDMN
C=C[C@@](C)(O)c1cn([C@H](C)c2nnc(C)[nH]2)nn1	ZINC000881383925	591199060	/nfs/dbraw/zinc/19/90/60/591199060.db2.gz	RIKDRJRPRUQGPE-RDDDGLTNSA-N	0	1	248.290	0.707	20	30		BCEDMN
C#CCN(C)CCCNc1ncc(C=O)cn1	ZINC000882402723	591343234	/nfs/dbraw/zinc/34/32/34/591343234.db2.gz	SPNNJGKSRATDAG-UHFFFAOYSA-N	0	1	232.287	0.656	20	30		BCEDMN
C=CCOCC(=O)NC[C@@H]1CCN1CC	ZINC000882486724	591363593	/nfs/dbraw/zinc/36/35/93/591363593.db2.gz	NZPMVIIVUNQPGA-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1ccnc(C#N)c1	ZINC000882491515	591368421	/nfs/dbraw/zinc/36/84/21/591368421.db2.gz	GXLRFOAKNVISSE-LBPRGKRZSA-N	0	1	244.298	0.777	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000882490862	591370557	/nfs/dbraw/zinc/37/05/57/591370557.db2.gz	XZNOSHPGJINCIR-LLVKDONJSA-N	0	1	232.287	0.710	20	30		BCEDMN
C#Cc1cncc(C(=O)NC[C@H]2CCN2CC)c1	ZINC000882493246	591373382	/nfs/dbraw/zinc/37/33/82/591373382.db2.gz	WYPUMFKLBRSUDN-CYBMUJFWSA-N	0	1	243.310	0.887	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CC	ZINC000882494345	591374291	/nfs/dbraw/zinc/37/42/91/591374291.db2.gz	PSBJUEOOMPMPMR-TUAOUCFPSA-N	0	1	238.331	0.788	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)CCCC#N	ZINC000882493762	591375821	/nfs/dbraw/zinc/37/58/21/591375821.db2.gz	LLEKMFSZMAYZRH-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)CC1(C#N)CC1	ZINC000882493989	591376473	/nfs/dbraw/zinc/37/64/73/591376473.db2.gz	MJTNGKOSXJJVCC-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCC1(O)CCN(C(=O)[C@H](C)N(C)C)CC1	ZINC000882531473	591382940	/nfs/dbraw/zinc/38/29/40/591382940.db2.gz	VDZMHJVJSRPUSG-NSHDSACASA-N	0	1	238.331	0.313	20	30		BCEDMN
Cc1ccc(NCCN2CC[C@@H](O)C2)c(C#N)n1	ZINC000882662929	591408235	/nfs/dbraw/zinc/40/82/35/591408235.db2.gz	OVAYGVDVOQUOEC-LLVKDONJSA-N	0	1	246.314	0.740	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000882891737	591465928	/nfs/dbraw/zinc/46/59/28/591465928.db2.gz	DBXDYWSXCBDUEC-VIFPVBQESA-N	0	1	249.314	0.955	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000882894640	591466366	/nfs/dbraw/zinc/46/63/66/591466366.db2.gz	UWLOFMXAVCHVOI-NEPJUHHUSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000882894643	591468246	/nfs/dbraw/zinc/46/82/46/591468246.db2.gz	UWLOFMXAVCHVOI-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@H](C)N(C)C	ZINC000882903455	591471523	/nfs/dbraw/zinc/47/15/23/591471523.db2.gz	CRDPWZWRAPZASA-UWVGGRQHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc(C2CC2)nc1	ZINC000883125377	591544312	/nfs/dbraw/zinc/54/43/12/591544312.db2.gz	HEIPRTZPFUYUSG-LBPRGKRZSA-N	0	1	231.299	0.828	20	30		BCEDMN
C#CC1(F)CN(C(=O)NCc2cn[nH]c2C)C1	ZINC000883138687	591549365	/nfs/dbraw/zinc/54/93/65/591549365.db2.gz	MEAMIPICQAIYEU-UHFFFAOYSA-N	0	1	236.250	0.585	20	30		BCEDMN
CC#CC[C@H](CO)NCc1n[nH]cc1C	ZINC000883156945	591555942	/nfs/dbraw/zinc/55/59/42/591555942.db2.gz	GZGHKVDDZUHAOQ-SNVBAGLBSA-N	0	1	207.277	0.582	20	30		BCEDMN
O=C(Nc1nn[nH]n1)c1cccc(Cl)n1	ZINC000028259819	591695427	/nfs/dbraw/zinc/69/54/27/591695427.db2.gz	RHZDKEBPHAPCOA-UHFFFAOYSA-N	0	1	224.611	0.884	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)NC[C@H]1CCN1CC	ZINC000883896327	591765426	/nfs/dbraw/zinc/76/54/26/591765426.db2.gz	NMFDPUAAXNNCKF-GHMZBOCLSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=CC(C)(C)CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000884250299	591884175	/nfs/dbraw/zinc/88/41/75/591884175.db2.gz	BLFXMCVYPZINJL-VHSXEESVSA-N	0	1	221.304	0.816	20	30		BCEDMN
N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)[nH]1	ZINC000884267890	591887797	/nfs/dbraw/zinc/88/77/97/591887797.db2.gz	PMXREBBPEVGVDN-PHIMTYICSA-N	0	1	244.298	0.853	20	30		BCEDMN
C=CC(C)(C)CC(=O)NC[C@H]1COCCN1	ZINC000884436551	591934346	/nfs/dbraw/zinc/93/43/46/591934346.db2.gz	IHMKQANDEKITNQ-JTQLQIEISA-N	0	1	226.320	0.693	20	30		BCEDMN
Cc1[nH]nc(C=NNC2=NC[C@@H](C)N2)c1C	ZINC000884447940	591937204	/nfs/dbraw/zinc/93/72/04/591937204.db2.gz	NNASGIOMGCCLEM-ZCFIWIBFSA-N	0	1	220.280	0.298	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2ccn(C)n2)C1	ZINC000886213738	592178010	/nfs/dbraw/zinc/17/80/10/592178010.db2.gz	ZPCVJZASNLBREI-CYBMUJFWSA-N	0	1	232.331	0.607	20	30		BCEDMN
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2C[C@@H]2C1	ZINC000886346102	592212956	/nfs/dbraw/zinc/21/29/56/592212956.db2.gz	AQLWALAVHJFLAW-MXWKQRLJSA-N	0	1	233.315	0.889	20	30		BCEDMN
C#CC[C@@H]1CCN([C@H]2CON(CC)C2=O)C1	ZINC000886364385	592217374	/nfs/dbraw/zinc/21/73/74/592217374.db2.gz	YFVXUXFKUGLHKT-MNOVXSKESA-N	0	1	222.288	0.494	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCCF	ZINC000887137602	592451609	/nfs/dbraw/zinc/45/16/09/592451609.db2.gz	NURAKDGDUYBFCH-SECBINFHSA-N	0	1	202.273	0.969	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(C)[C@@H](C)C1	ZINC000300934780	592525236	/nfs/dbraw/zinc/52/52/36/592525236.db2.gz	CFBTUXDHMNFXAA-UWVGGRQHSA-N	0	1	212.293	0.350	20	30		BCEDMN
C#C[C@@H](NCCS(C)(=O)=O)C(C)C	ZINC000300797634	592520372	/nfs/dbraw/zinc/52/03/72/592520372.db2.gz	DIDMUUVENAESEE-SECBINFHSA-N	0	1	203.307	0.278	20	30		BCEDMN
C#CCNC(=O)CN1CCC(SC)CC1	ZINC000300887803	592523231	/nfs/dbraw/zinc/52/32/31/592523231.db2.gz	UDOBXXRMSMDYLN-UHFFFAOYSA-N	0	1	226.345	0.563	20	30		BCEDMN
CC(C#N)C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887676831	592540391	/nfs/dbraw/zinc/54/03/91/592540391.db2.gz	LEGYEAXTKDVTMA-WCBMZHEXSA-N	0	1	207.233	0.287	20	30		BCEDMN
C#CCSCC(=O)N(C)[C@H]1CCCN(C)C1	ZINC000889207109	592589101	/nfs/dbraw/zinc/58/91/01/592589101.db2.gz	SKOYGQHOEJEDJQ-NSHDSACASA-N	0	1	240.372	0.905	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCc1n[nH]c(C)n1	ZINC000889703196	592648302	/nfs/dbraw/zinc/64/83/02/592648302.db2.gz	UCYVRBHUZVHVJL-SNVBAGLBSA-N	0	1	224.264	0.056	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCc1n[nH]c(C)n1	ZINC000889702772	592648955	/nfs/dbraw/zinc/64/89/55/592648955.db2.gz	KZDDHLDSELQMOP-UHFFFAOYSA-N	0	1	220.276	0.779	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCN1CC	ZINC000890064087	592674434	/nfs/dbraw/zinc/67/44/34/592674434.db2.gz	QFIUDIQAFLYGQD-MNOVXSKESA-N	0	1	223.320	0.744	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)N(C)C[C@@H](C)C#N	ZINC000890073592	592676431	/nfs/dbraw/zinc/67/64/31/592676431.db2.gz	QSQKCEHYSDFNOT-QWRGUYRKSA-N	0	1	238.335	0.882	20	30		BCEDMN
COCC#CC[N@@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000694750686	597507481	/nfs/dbraw/zinc/50/74/81/597507481.db2.gz	YQIARCUDEBYTCJ-SNVBAGLBSA-N	0	1	211.261	0.575	20	30		BCEDMN
COCC#CC[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000694750686	597507483	/nfs/dbraw/zinc/50/74/83/597507483.db2.gz	YQIARCUDEBYTCJ-SNVBAGLBSA-N	0	1	211.261	0.575	20	30		BCEDMN
N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000229084642	600141105	/nfs/dbraw/zinc/14/11/05/600141105.db2.gz	VAHRXBRPURNFFA-NEPJUHHUSA-N	0	1	246.266	0.578	20	30		BCEDMN
N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000229084642	600141107	/nfs/dbraw/zinc/14/11/07/600141107.db2.gz	VAHRXBRPURNFFA-NEPJUHHUSA-N	0	1	246.266	0.578	20	30		BCEDMN
N#CCC[N@H+](CC(=O)[O-])C1CCOCC1	ZINC000308883448	600957894	/nfs/dbraw/zinc/95/78/94/600957894.db2.gz	VAABOSBIJAIQQU-UHFFFAOYSA-N	0	1	212.249	0.466	20	30		BCEDMN
C#CC[N@@H+](CC#CC)C/C=C(/C)C(=O)[O-]	ZINC000688545098	601177310	/nfs/dbraw/zinc/17/73/10/601177310.db2.gz	YDVXLRSIIBOCED-XFFZJAGNSA-N	0	1	205.257	0.976	20	30		BCEDMN
N#CCCCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000085617765	601455378	/nfs/dbraw/zinc/45/53/78/601455378.db2.gz	CCEKOZNFRFSWTP-JTQLQIEISA-N	0	1	226.276	0.856	20	30		BCEDMN
C=CCC[N@H+](C)CCN1CCN(C(=O)[O-])CC1	ZINC000738493318	603084125	/nfs/dbraw/zinc/08/41/25/603084125.db2.gz	MIINFTXHVFQSTP-UHFFFAOYSA-N	0	1	241.335	0.790	20	30		BCEDMN
CC(C)(C#N)CC[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000083639216	604994409	/nfs/dbraw/zinc/99/44/09/604994409.db2.gz	FSBDNUCNDZPMTG-SECBINFHSA-N	0	1	226.276	0.712	20	30		BCEDMN
CC(C)(C#N)CC[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000083639216	604994412	/nfs/dbraw/zinc/99/44/12/604994412.db2.gz	FSBDNUCNDZPMTG-SECBINFHSA-N	0	1	226.276	0.712	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000080991968	605852908	/nfs/dbraw/zinc/85/29/08/605852908.db2.gz	LINVTSHLAXJFOZ-SNVBAGLBSA-N	0	1	240.303	0.618	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000080991968	605852912	/nfs/dbraw/zinc/85/29/12/605852912.db2.gz	LINVTSHLAXJFOZ-SNVBAGLBSA-N	0	1	240.303	0.618	20	30		BCEDMN
CCOCCCNC(=O)C(C#N)C(=O)C1CC1	ZINC000124176749	634394919	/nfs/dbraw/zinc/39/49/19/634394919.db2.gz	PGNIHPIUTLMZSM-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)Cc1cnc[nH]1	ZINC000909373556	634533021	/nfs/dbraw/zinc/53/30/21/634533021.db2.gz	ACMWPHMERZEKRU-SECBINFHSA-N	0	1	223.276	0.396	20	30		BCEDMN
C=C(CC)CNC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000909387764	634589417	/nfs/dbraw/zinc/58/94/17/634589417.db2.gz	PMBPGPJRJBYEDZ-CMPLNLGQSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC000971570418	631322905	/nfs/dbraw/zinc/32/29/05/631322905.db2.gz	COYQRTRZTQDSAM-OBJOEFQTSA-N	0	1	248.326	0.189	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ccn(C)n1	ZINC001028319540	635650604	/nfs/dbraw/zinc/65/06/04/635650604.db2.gz	JHKXLSKWFKLQLC-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ccn(C)n1	ZINC001028319539	635651284	/nfs/dbraw/zinc/65/12/84/635651284.db2.gz	JHKXLSKWFKLQLC-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C#C[C@H](N[C@@H](CO)C(=C)C)[C@@H]1CCCO1	ZINC000308816132	631665599	/nfs/dbraw/zinc/66/55/99/631665599.db2.gz	AQHLXYBXRGAEFY-SRVKXCTJSA-N	0	1	209.289	0.694	20	30		BCEDMN
C[C@@H]1CSCCCN1CC(=O)NCCC#N	ZINC000934303161	631774475	/nfs/dbraw/zinc/77/44/75/631774475.db2.gz	KYMNNIXFJSNXQL-SNVBAGLBSA-N	0	1	241.360	0.844	20	30		BCEDMN
C=CC[C@H]1CCN1[C@H](C)C(=O)NCC(=O)OC	ZINC000934465211	631860818	/nfs/dbraw/zinc/86/08/18/631860818.db2.gz	LAHAKEAPVHUCKW-ZJUUUORDSA-N	0	1	240.303	0.315	20	30		BCEDMN
C=CCCN1CCO[C@@]2(CCN(C(C)=O)C2)C1	ZINC000972199395	631866881	/nfs/dbraw/zinc/86/68/81/631866881.db2.gz	AUOWDPIATVXMAU-ZDUSSCGKSA-N	0	1	238.331	0.886	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2conc2C)C1	ZINC000972206201	631870484	/nfs/dbraw/zinc/87/04/84/631870484.db2.gz	HISDIYXTMGNEPN-NSHDSACASA-N	0	1	247.298	0.763	20	30		BCEDMN
CC[C@H](NN=C1CC[N@H+]2CCC[C@H]12)C(=O)[O-]	ZINC000309349823	632006930	/nfs/dbraw/zinc/00/69/30/632006930.db2.gz	MPDXSUHFLBKGCR-WCBMZHEXSA-N	0	1	225.292	0.663	20	30		BCEDMN
CC[C@H](NN=C1C[C@@H](C)[N@H+](C)C1)C(=O)[O-]	ZINC000308877532	632062561	/nfs/dbraw/zinc/06/25/61/632062561.db2.gz	SQMCBZALLOEYPD-APPZFPTMSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@H](NN=C1C[C@@H](C)[N@@H+](C)C1)C(=O)[O-]	ZINC000308877532	632062564	/nfs/dbraw/zinc/06/25/64/632062564.db2.gz	SQMCBZALLOEYPD-APPZFPTMSA-N	0	1	213.281	0.519	20	30		BCEDMN
O=C(NO)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000782169615	632476592	/nfs/dbraw/zinc/47/65/92/632476592.db2.gz	NSVAYMAVXQEDRJ-LLVKDONJSA-N	0	1	235.287	0.799	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cccnn2)C1	ZINC000972599324	632512973	/nfs/dbraw/zinc/51/29/73/632512973.db2.gz	YDHMWLGILIYMDV-LLVKDONJSA-N	0	1	244.298	0.256	20	30		BCEDMN
C=CCn1cc(CN[C@H]2COC[C@@H]2C)nn1	ZINC000926613358	632680508	/nfs/dbraw/zinc/68/05/08/632680508.db2.gz	DYPNHDKMCCVXTG-ONGXEEELSA-N	0	1	222.292	0.589	20	30		BCEDMN
C#Cc1ccc(CNC2(C(N)=O)CC2)cc1	ZINC000309599598	633209310	/nfs/dbraw/zinc/20/93/10/633209310.db2.gz	VZQXPDSANVVEJE-UHFFFAOYSA-N	0	1	214.268	0.775	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C	ZINC001025665052	633739984	/nfs/dbraw/zinc/73/99/84/633739984.db2.gz	ZFILAJRWJKSJFL-FHUSYTEZSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCONC(=O)c1ccc(F)cc1O	ZINC000308983557	633837805	/nfs/dbraw/zinc/83/78/05/633837805.db2.gz	LEGLDCHTEVBALV-UHFFFAOYSA-N	0	1	209.176	0.826	20	30		BCEDMN
Cc1nc(COC(=O)C(C)(C)C#N)n[nH]1	ZINC000795339725	636164418	/nfs/dbraw/zinc/16/44/18/636164418.db2.gz	WAOWDUJZUIFUFK-UHFFFAOYSA-N	0	1	208.221	0.706	20	30		BCEDMN
C=CCN(CC=C)C(=O)c1[nH]nnc1C	ZINC000188400981	634144111	/nfs/dbraw/zinc/14/41/11/634144111.db2.gz	RWKDOIJTRNMDBW-UHFFFAOYSA-N	0	1	206.249	0.927	20	30		BCEDMN
C#CCNCC(=O)N(CCOC)C(CC)CC	ZINC000092492841	634184503	/nfs/dbraw/zinc/18/45/03/634184503.db2.gz	FKWQTBGSKZXECE-UHFFFAOYSA-N	0	1	240.347	0.873	20	30		BCEDMN
C=CC[C@@H](CO)CN[C@H](C)c1cnn(C)n1	ZINC000925698695	634364306	/nfs/dbraw/zinc/36/43/06/634364306.db2.gz	TXFMTFFIGTXZCG-NXEZZACHSA-N	0	1	224.308	0.650	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCO1	ZINC001027737595	635130324	/nfs/dbraw/zinc/13/03/24/635130324.db2.gz	RZDLPKQINAGLSL-RYUDHWBXSA-N	0	1	238.331	0.932	20	30		BCEDMN
CC#CCN1CCC[C@H]1CNC(=O)c1ccn[nH]1	ZINC001027762600	635139860	/nfs/dbraw/zinc/13/98/60/635139860.db2.gz	PRPAIKVWQULZBO-NSHDSACASA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cnc(C)[nH]1	ZINC001027782140	635146833	/nfs/dbraw/zinc/14/68/33/635146833.db2.gz	QBMCVWSXTQXVBV-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ccnn1C	ZINC001027783362	635149379	/nfs/dbraw/zinc/14/93/79/635149379.db2.gz	WJFWUTVMPUIFRB-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCOCCN[C@H]1COCCC1(OC)OC	ZINC000931674983	635198817	/nfs/dbraw/zinc/19/88/17/635198817.db2.gz	LMCONIHPNNLUDC-NSHDSACASA-N	0	1	243.303	0.004	20	30		BCEDMN
C[C@@H](O)[C@@H](C)NCc1nc(C#N)cs1	ZINC000336670164	635198846	/nfs/dbraw/zinc/19/88/46/635198846.db2.gz	YKHAKWCRCVFTDT-RNFRBKRXSA-N	0	1	211.290	0.874	20	30		BCEDMN
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C#C[C@@H](CC)N[C@@H]1CCCS(=O)(=O)C1	ZINC000229532069	640964044	/nfs/dbraw/zinc/96/40/44/640964044.db2.gz	JEDBBFIKVOEYBP-VHSXEESVSA-N	0	1	215.318	0.565	20	30		BCEDMN
C=C(C)CN[C@](C)(Cn1cccn1)C(N)=O	ZINC000934219415	641104752	/nfs/dbraw/zinc/10/47/52/641104752.db2.gz	JLVSZJWBTMDFOI-LLVKDONJSA-N	0	1	222.292	0.293	20	30		BCEDMN
N#CCCNC(=O)CN[C@H](CO)c1ccccc1	ZINC000063002977	641117649	/nfs/dbraw/zinc/11/76/49/641117649.db2.gz	PNLPIFHSCJMIHP-GFCCVEGCSA-N	0	1	247.298	0.339	20	30		BCEDMN
N#CCCNC(=O)CN[C@@H](CO)c1ccccc1	ZINC000063002978	641118365	/nfs/dbraw/zinc/11/83/65/641118365.db2.gz	PNLPIFHSCJMIHP-LBPRGKRZSA-N	0	1	247.298	0.339	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cccn2C)C1	ZINC000971086540	641149901	/nfs/dbraw/zinc/14/99/01/641149901.db2.gz	RREUFXYWZHRDQG-GFCCVEGCSA-N	0	1	245.326	0.805	20	30		BCEDMN
C=CC[C@H]1CCN1[C@@H](C)C(=O)NC(=O)NCC	ZINC000934472702	641165473	/nfs/dbraw/zinc/16/54/73/641165473.db2.gz	QAJLZODXMZMIOP-UWVGGRQHSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCN1CC[C@@H](N2CC[C@H](OCC)C2)C1=O	ZINC000932974091	641168585	/nfs/dbraw/zinc/16/85/85/641168585.db2.gz	MMNCGGIWMUJXGP-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
C#C[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)NC	ZINC000934512555	641180833	/nfs/dbraw/zinc/18/08/33/641180833.db2.gz	QILBLBRBGJKELR-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCCS(=O)(=O)NC	ZINC000934512555	641180840	/nfs/dbraw/zinc/18/08/40/641180840.db2.gz	QILBLBRBGJKELR-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ncoc2C)C1	ZINC000971169040	641205980	/nfs/dbraw/zinc/20/59/80/641205980.db2.gz	LVNUZFHHHAOYMK-LLVKDONJSA-N	0	1	247.298	0.763	20	30		BCEDMN
C#CCOCCNC(=O)c1cccc(F)c1O	ZINC000935358166	641393939	/nfs/dbraw/zinc/39/39/39/641393939.db2.gz	XWMUMLCQQOTUJJ-UHFFFAOYSA-N	0	1	237.230	0.911	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)NC12CCN(CC1)C2	ZINC000913629539	641432919	/nfs/dbraw/zinc/43/29/19/641432919.db2.gz	CQFDSOIQDZSPRV-LBPRGKRZSA-N	0	1	247.342	0.048	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NC12CCN(CC1)C2	ZINC000913628501	641433014	/nfs/dbraw/zinc/43/30/14/641433014.db2.gz	GADLHMAHSKFHFH-NSHDSACASA-N	0	1	238.331	0.932	20	30		BCEDMN
O=C(C#CC1CC1)N1CCC(c2nn[nH]n2)CC1	ZINC000913745723	641465463	/nfs/dbraw/zinc/46/54/63/641465463.db2.gz	CFFVOWRCTWNTJI-UHFFFAOYSA-N	0	1	245.286	0.319	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1cccc(F)c1O	ZINC000936062403	641526302	/nfs/dbraw/zinc/52/63/02/641526302.db2.gz	LRWCVZAKYXNTDI-MRVPVSSYSA-N	0	1	237.230	0.645	20	30		BCEDMN
CC[C@@H](C)OCC(=O)C(C#N)C(=O)NC1CC1	ZINC000152346412	641561512	/nfs/dbraw/zinc/56/15/12/641561512.db2.gz	XYENKBWTNRKTEZ-PSASIEDQSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)C2CC2)[C@@H]1C	ZINC000992972746	641687327	/nfs/dbraw/zinc/68/73/27/641687327.db2.gz	FHCGMSDEUXWOFX-CMPLNLGQSA-N	0	1	220.316	0.999	20	30		BCEDMN
C=CCN(CCNS(C)(=O)=O)C(C)C	ZINC000730567535	641704377	/nfs/dbraw/zinc/70/43/77/641704377.db2.gz	HPQCNRYYAMUCDB-UHFFFAOYSA-N	0	1	220.338	0.432	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCN1C	ZINC000925415213	641733761	/nfs/dbraw/zinc/73/37/61/641733761.db2.gz	DRWMINNPDKOXTG-NXEZZACHSA-N	0	1	209.293	0.354	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnco2)C[C@H]1C	ZINC000947584759	641746776	/nfs/dbraw/zinc/74/67/76/641746776.db2.gz	LUVQNPPZMOHXFQ-MNOVXSKESA-N	0	1	247.298	0.891	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCN1C	ZINC000925419193	641773431	/nfs/dbraw/zinc/77/34/31/641773431.db2.gz	MGCHITRSNSSTAE-MNOVXSKESA-N	0	1	241.335	0.174	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCN1C	ZINC000925419191	641773758	/nfs/dbraw/zinc/77/37/58/641773758.db2.gz	MGCHITRSNSSTAE-GHMZBOCLSA-N	0	1	241.335	0.174	20	30		BCEDMN
N=C(N)NN=Cc1c[nH]nc1-c1cccnc1	ZINC000915049523	641793748	/nfs/dbraw/zinc/79/37/48/641793748.db2.gz	TVRFRRMOWXVTSY-UHFFFAOYSA-N	0	1	229.247	0.289	20	30		BCEDMN
Cc1ccc(C)c2c1NC(=O)C2=NNC(=N)N	ZINC000915048460	641794573	/nfs/dbraw/zinc/79/45/73/641794573.db2.gz	FMPBNHMKGCJLGE-UHFFFAOYSA-N	0	1	231.259	0.443	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)C1CCCC1	ZINC000193411680	641809953	/nfs/dbraw/zinc/80/99/53/641809953.db2.gz	AAXMIYFRBPJSSF-JTQLQIEISA-N	0	1	238.287	0.648	20	30		BCEDMN
N#CCN1CCN(C(=O)CCc2cnc[nH]2)CC1	ZINC000948671987	641818629	/nfs/dbraw/zinc/81/86/29/641818629.db2.gz	YKCDTQNRXUQSOL-UHFFFAOYSA-N	0	1	247.302	0.010	20	30		BCEDMN
CCN(C(=O)c1cnc(C)[nH]1)C1CN(CC#N)C1	ZINC000949779460	641861258	/nfs/dbraw/zinc/86/12/58/641861258.db2.gz	BFDIOQFTVKFPFS-UHFFFAOYSA-N	0	1	247.302	0.388	20	30		BCEDMN
Cn1cc(C=NNCCN2CCCCC2)cn1	ZINC000915973810	641891556	/nfs/dbraw/zinc/89/15/56/641891556.db2.gz	MWPJUEPFZJVOFJ-UHFFFAOYSA-N	0	1	235.335	0.830	20	30		BCEDMN
Cc1nn(C[C@@H]2CCCN2C)c(=O)c(C#N)c1C	ZINC000916275340	641925450	/nfs/dbraw/zinc/92/54/50/641925450.db2.gz	WOQBBFWCABLDQA-NSHDSACASA-N	0	1	246.314	0.826	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cccnc2)C1	ZINC001031512407	642241195	/nfs/dbraw/zinc/24/11/95/642241195.db2.gz	NAEYNKFUDJQHOJ-UHFFFAOYSA-N	0	1	231.299	0.929	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CCCO2)C1	ZINC001031526302	642271876	/nfs/dbraw/zinc/27/18/76/642271876.db2.gz	QKJNWDUQLZKIME-LLVKDONJSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2ccnn2C)C1	ZINC001031569888	642324991	/nfs/dbraw/zinc/32/49/91/642324991.db2.gz	JWBPIBLOLQJVGR-UHFFFAOYSA-N	0	1	248.330	0.658	20	30		BCEDMN
C[C@H](C#N)OC(=O)c1[nH]nc2c1CCC2	ZINC000919333813	642329874	/nfs/dbraw/zinc/32/98/74/642329874.db2.gz	ZSXYLDNQJFZQOP-ZCFIWIBFSA-N	0	1	205.217	0.967	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cn(C)nc2C)C1	ZINC001031585685	642338520	/nfs/dbraw/zinc/33/85/20/642338520.db2.gz	IJOYVDXKGXZXKN-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnn(CC)c2)C1	ZINC001031587720	642340524	/nfs/dbraw/zinc/34/05/24/642340524.db2.gz	QHMOKDCSRYFPNF-UHFFFAOYSA-N	0	1	248.330	0.751	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CCCCO2)C1	ZINC001031610265	642375762	/nfs/dbraw/zinc/37/57/62/642375762.db2.gz	DFTRMZTVCXKDMQ-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001021998683	642495306	/nfs/dbraw/zinc/49/53/06/642495306.db2.gz	GCUQQTXFRYGBBS-AOOOYVTPSA-N	0	1	247.298	0.824	20	30		BCEDMN
C#CCN1CCC(NC(=O)OCCOC)CC1	ZINC000921436998	642624200	/nfs/dbraw/zinc/62/42/00/642624200.db2.gz	JTBUWGXDEBATHA-UHFFFAOYSA-N	0	1	240.303	0.457	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C	ZINC000961471352	642690375	/nfs/dbraw/zinc/69/03/75/642690375.db2.gz	SCLLJELXEVEJMW-JCIQBVFBSA-N	0	1	218.300	0.322	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1	ZINC000961751595	642703451	/nfs/dbraw/zinc/70/34/51/642703451.db2.gz	HHYGQXRVMHQMHZ-ITGUQSILSA-N	0	1	244.338	0.856	20	30		BCEDMN
C=C(Cl)CN1CC[C@](C)(C(N)=O)C1	ZINC000306293548	642735768	/nfs/dbraw/zinc/73/57/68/642735768.db2.gz	UUSIZADBCFOLSP-VIFPVBQESA-N	0	1	202.685	0.936	20	30		BCEDMN
C=CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000968478240	642813344	/nfs/dbraw/zinc/81/33/44/642813344.db2.gz	KJQBWVVAFRYZHW-SNVBAGLBSA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2ccn[nH]2)C1	ZINC001006808599	642824772	/nfs/dbraw/zinc/82/47/72/642824772.db2.gz	VCZZUJXIVDISQC-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ncn[n-]2)C1	ZINC001008913950	642834947	/nfs/dbraw/zinc/83/49/47/642834947.db2.gz	PCQRPLPYHGAUBJ-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@H](NC(=O)c2ncn[n-]2)C1	ZINC001008913943	642835033	/nfs/dbraw/zinc/83/50/33/642835033.db2.gz	PCQRPLPYHGAUBJ-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1	ZINC001009969334	642848779	/nfs/dbraw/zinc/84/87/79/642848779.db2.gz	CDPKTXXWOWXDDF-SECBINFHSA-N	0	1	248.286	0.172	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnc(C)cn2)C1	ZINC001009995786	642849034	/nfs/dbraw/zinc/84/90/34/642849034.db2.gz	UJTSZLRQQYOQNK-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CO[C@H](C)C2)C1	ZINC001031789222	642849159	/nfs/dbraw/zinc/84/91/59/642849159.db2.gz	MLSUDSMOZHLBNX-PWSUYJOCSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H]2CCCOC2)C1	ZINC001010349406	642859927	/nfs/dbraw/zinc/85/99/27/642859927.db2.gz	KKYMMKHINDCACT-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C1	ZINC001010379969	642863158	/nfs/dbraw/zinc/86/31/58/642863158.db2.gz	NYNYAYLUXNAIOG-SNVBAGLBSA-N	0	1	234.303	0.708	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)C2=CCOCC2)C1	ZINC001010721235	642872148	/nfs/dbraw/zinc/87/21/48/642872148.db2.gz	PJVVYVHBIGFIMT-CYBMUJFWSA-N	0	1	248.326	0.547	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnnc(C)c2)C1	ZINC001010757029	642873114	/nfs/dbraw/zinc/87/31/14/642873114.db2.gz	GVHLOZBAFBEIHW-GFCCVEGCSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnnn2CC)C1	ZINC001010859265	642875321	/nfs/dbraw/zinc/87/53/21/642875321.db2.gz	XPVDZTQRMFOYPV-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1	ZINC001014374970	642888831	/nfs/dbraw/zinc/88/88/31/642888831.db2.gz	JOFTTZVSAWAWKA-SNVBAGLBSA-N	0	1	249.318	0.032	20	30		BCEDMN
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C#CCN1CC[C@H](NC(=O)c2ccon2)[C@H](C)C1	ZINC000941851291	643148080	/nfs/dbraw/zinc/14/80/80/643148080.db2.gz	SXPMLGKPDHFDCF-MNOVXSKESA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cocn2)C1	ZINC000969392342	643161516	/nfs/dbraw/zinc/16/15/16/643161516.db2.gz	SNWJPSIUHJRGOA-SECBINFHSA-N	0	1	235.287	0.911	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cccnn2)C1	ZINC001032066628	643228447	/nfs/dbraw/zinc/22/84/47/643228447.db2.gz	AWOXMUPLAPWGTM-UHFFFAOYSA-N	0	1	244.298	0.162	20	30		BCEDMN
C#CC[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](C)C1	ZINC000943715722	643255778	/nfs/dbraw/zinc/25/57/78/643255778.db2.gz	ABTUPWBYYDRSNK-UWVGGRQHSA-N	0	1	248.286	0.143	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnon2)[C@@H](C)C1	ZINC000943715722	643255782	/nfs/dbraw/zinc/25/57/82/643255782.db2.gz	ABTUPWBYYDRSNK-UWVGGRQHSA-N	0	1	248.286	0.143	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2cccnn2)C1	ZINC001015886450	643267236	/nfs/dbraw/zinc/26/72/36/643267236.db2.gz	JARHMTBVMDTKJW-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
CC1(C)CN(C(=O)c2ccn[nH]2)C[C@H]1NCC#N	ZINC000995525477	643324800	/nfs/dbraw/zinc/32/48/00/643324800.db2.gz	KDTJINNXMRPIGX-SNVBAGLBSA-N	0	1	247.302	0.373	20	30		BCEDMN
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1	ZINC001032294318	643462439	/nfs/dbraw/zinc/46/24/39/643462439.db2.gz	KAHPHGVGSYDHKH-RYUDHWBXSA-N	0	1	246.314	0.885	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)n[nH]1	ZINC001032299217	643469583	/nfs/dbraw/zinc/46/95/83/643469583.db2.gz	FAYDDXHTKXSEFH-UWVGGRQHSA-N	0	1	245.286	0.140	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF	ZINC001032316669	643495137	/nfs/dbraw/zinc/49/51/37/643495137.db2.gz	CFQYAGVAZBKOFG-DCAQKATOSA-N	0	1	239.294	0.791	20	30		BCEDMN
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N	ZINC001032318473	643496666	/nfs/dbraw/zinc/49/66/66/643496666.db2.gz	OYXOMRPFGGGXTI-GUBZILKMSA-N	0	1	207.277	0.451	20	30		BCEDMN
C[C@H](O)CNN=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000814963238	643517746	/nfs/dbraw/zinc/51/77/46/643517746.db2.gz	GRZNTVNFEVOYMG-ZETCQYMHSA-N	0	1	239.231	0.605	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ccn(C)n2)C1	ZINC000970880707	643585121	/nfs/dbraw/zinc/58/51/21/643585121.db2.gz	PNGRPAFMWQFQPP-SNVBAGLBSA-N	0	1	248.330	0.656	20	30		BCEDMN
N#C[C@H](NC(=O)c1ncn[nH]1)C1CCCC1	ZINC000921547215	643599497	/nfs/dbraw/zinc/59/94/97/643599497.db2.gz	IXFHQDWPNRVGFW-QMMMGPOBSA-N	0	1	219.248	0.617	20	30		BCEDMN
N#C[C@H](NC(=O)c1nc[nH]n1)C1CCCC1	ZINC000921547215	643599501	/nfs/dbraw/zinc/59/95/01/643599501.db2.gz	IXFHQDWPNRVGFW-QMMMGPOBSA-N	0	1	219.248	0.617	20	30		BCEDMN
C=CC[N@H+](C)[C@H]1CCN(C(=O)C(F)F)C1	ZINC000970924429	643619299	/nfs/dbraw/zinc/61/92/99/643619299.db2.gz	PGCSOWMAVGKAAK-QMMMGPOBSA-N	0	1	218.247	0.970	20	30		BCEDMN
C#CCNCC(=O)NCc1sccc1C	ZINC000087308933	643654898	/nfs/dbraw/zinc/65/48/98/643654898.db2.gz	YOMFMERCUXWZEI-UHFFFAOYSA-N	0	1	222.313	0.896	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1	ZINC000971049126	643685996	/nfs/dbraw/zinc/68/59/96/643685996.db2.gz	AFKPFVZYUXHRDK-LBPRGKRZSA-N	0	1	246.314	0.200	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CCCN(C(=O)COC)C1	ZINC000998325013	643697867	/nfs/dbraw/zinc/69/78/67/643697867.db2.gz	VSACRWRAQQBMSJ-SNVBAGLBSA-N	0	1	246.738	0.966	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)[C@@H]2CCCO2)CC1	ZINC001000418479	643781528	/nfs/dbraw/zinc/78/15/28/643781528.db2.gz	KDDVKKCSGPMNHN-ZDUSSCGKSA-N	0	1	248.326	0.547	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCCCC#N	ZINC000921907188	643823369	/nfs/dbraw/zinc/82/33/69/643823369.db2.gz	UKNFDULPALUBRL-SECBINFHSA-N	0	1	210.281	0.293	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2cn[nH]c2)CC1	ZINC001002395961	643823992	/nfs/dbraw/zinc/82/39/92/643823992.db2.gz	JOWOTKAHELYGEV-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
COC[C@H](CO)NCc1csc(C#N)c1	ZINC000922080047	643860452	/nfs/dbraw/zinc/86/04/52/643860452.db2.gz	BFVWASSRGWOEPF-VIFPVBQESA-N	0	1	226.301	0.717	20	30		BCEDMN
C#CC1(NC(=O)CCc2nn[nH]n2)CCCC1	ZINC000922218296	643907675	/nfs/dbraw/zinc/90/76/75/643907675.db2.gz	GZUCPYMHYPMLLG-UHFFFAOYSA-N	0	1	233.275	0.195	20	30		BCEDMN
N#CCN1CCC(NC(=O)Cc2cnc[nH]2)CC1	ZINC001003700843	643916900	/nfs/dbraw/zinc/91/69/00/643916900.db2.gz	HTZVWQLAAWTYSQ-UHFFFAOYSA-N	0	1	247.302	0.056	20	30		BCEDMN
C#CCNCC(=O)NCCCOCC(C)C	ZINC000086156713	643933427	/nfs/dbraw/zinc/93/34/27/643933427.db2.gz	RPEWIGPMEHGWGN-UHFFFAOYSA-N	0	1	226.320	0.388	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCC1(CC#N)CC1	ZINC000922303615	643963205	/nfs/dbraw/zinc/96/32/05/643963205.db2.gz	KTPUGIYMQIWGNO-SNVBAGLBSA-N	0	1	236.319	0.684	20	30		BCEDMN
C[C@@H](O)[C@@H](O)CNCc1csc(C#N)c1	ZINC000922308566	643965793	/nfs/dbraw/zinc/96/57/93/643965793.db2.gz	FEWCVWLNROCKBB-XCBNKYQSSA-N	0	1	226.301	0.451	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cc2ccc[nH]2)CC1	ZINC001004180034	644005372	/nfs/dbraw/zinc/00/53/72/644005372.db2.gz	WVAKQNSRWZUYDP-UHFFFAOYSA-N	0	1	245.326	0.771	20	30		BCEDMN
C#C[C@@H](NC(=O)NC[C@@H]1CCN1C)C(C)C	ZINC000922520265	644011810	/nfs/dbraw/zinc/01/18/10/644011810.db2.gz	KXHJUQKIOZFQQH-WDEREUQCSA-N	0	1	223.320	0.648	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2COC[C@@H]2C)nn1	ZINC000922641244	644056026	/nfs/dbraw/zinc/05/60/26/644056026.db2.gz	YYSGOVXPWCDPLA-JQWIXIFHSA-N	0	1	236.319	0.979	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1CC1	ZINC000124950828	644083899	/nfs/dbraw/zinc/08/38/99/644083899.db2.gz	XKBFOGHTVLBEET-SECBINFHSA-N	0	1	224.260	0.258	20	30		BCEDMN
C#CCN1CCC(NC(=O)NOCC=C)CC1	ZINC000922767881	644091144	/nfs/dbraw/zinc/09/11/44/644091144.db2.gz	ZEPDOSLZMAOLAJ-UHFFFAOYSA-N	0	1	237.303	0.501	20	30		BCEDMN
Cn1nccc1[C@H](O)CNCc1ccc(C#N)o1	ZINC000922972373	644209413	/nfs/dbraw/zinc/20/94/13/644209413.db2.gz	INZWJNDZXZNCFK-GFCCVEGCSA-N	0	1	246.270	0.708	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NCCCc1nc[nH]n1	ZINC000923135299	644269581	/nfs/dbraw/zinc/26/95/81/644269581.db2.gz	NZSZUSVKGOLFKX-SECBINFHSA-N	0	1	235.291	0.400	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NCCCc1nc[nH]n1	ZINC000923141184	644275560	/nfs/dbraw/zinc/27/55/60/644275560.db2.gz	JUTVBACNSXWSQF-MRVPVSSYSA-N	0	1	223.280	0.611	20	30		BCEDMN
C#CCN(CC)C(=O)NCCCc1nc[nH]n1	ZINC000923144159	644277828	/nfs/dbraw/zinc/27/78/28/644277828.db2.gz	JJIZHEKQVZLPKL-UHFFFAOYSA-N	0	1	235.291	0.402	20	30		BCEDMN
C=CCOCCCNC(=O)NC[C@@H]1CCN1C	ZINC000923273748	644306817	/nfs/dbraw/zinc/30/68/17/644306817.db2.gz	FFUKMUAXPVURFQ-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)C2(N(C)C)CC2)C1	ZINC000923558157	644502988	/nfs/dbraw/zinc/50/29/88/644502988.db2.gz	WPLNDOOWHPRICX-LBPRGKRZSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCCN1C[C@H]2CC[C@@H](C1)N2C(C)=O	ZINC001017279527	644607652	/nfs/dbraw/zinc/60/76/52/644607652.db2.gz	MFJBZNQYIVRCNB-TXEJJXNPSA-N	0	1	206.289	0.705	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cc(C#N)cs2)N1	ZINC000779797237	644716078	/nfs/dbraw/zinc/71/60/78/644716078.db2.gz	CKWIXIAGTOWCKZ-ZETCQYMHSA-N	0	1	233.300	0.891	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc3c(c2)CCO3)N1	ZINC000779805345	644716951	/nfs/dbraw/zinc/71/69/51/644716951.db2.gz	NDDLZCPPECXOSB-VIFPVBQESA-N	0	1	244.298	0.893	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC	ZINC000957986395	644765638	/nfs/dbraw/zinc/76/56/38/644765638.db2.gz	ODZLBEDLVOKFNF-IAZYJMLFSA-N	0	1	206.289	0.466	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1	ZINC000958028136	644770762	/nfs/dbraw/zinc/77/07/62/644770762.db2.gz	KMTNJMSXZFLKRR-ITGUQSILSA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1	ZINC000958110563	644777688	/nfs/dbraw/zinc/77/76/88/644777688.db2.gz	HYRLXNXKQIDREG-WDNDVIMCSA-N	0	1	240.306	0.980	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C	ZINC000958274282	644785210	/nfs/dbraw/zinc/78/52/10/644785210.db2.gz	RTINXTLHKMZYQW-URLYPYJESA-N	0	1	206.289	0.322	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1	ZINC000958271674	644785392	/nfs/dbraw/zinc/78/53/92/644785392.db2.gz	AJUDFLQGUJVJGJ-CIQGVGRVSA-N	0	1	248.326	0.235	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1	ZINC000958330948	644789167	/nfs/dbraw/zinc/78/91/67/644789167.db2.gz	JBXHLCIIFVXGSF-JZYVYDRUSA-N	0	1	247.323	0.436	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CC1	ZINC000958491569	644800589	/nfs/dbraw/zinc/80/05/89/644800589.db2.gz	QBDONKRDYBMMMO-XEZLXBQYSA-N	0	1	232.327	0.712	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cncnc2)CN1C	ZINC000794979279	644807169	/nfs/dbraw/zinc/80/71/69/644807169.db2.gz	UTVDBPGMPAGHJJ-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)n1	ZINC000958625644	644816846	/nfs/dbraw/zinc/81/68/46/644816846.db2.gz	MXUHBDFMKWYMKA-IAZYJMLFSA-N	0	1	245.282	0.276	20	30		BCEDMN
CO[C@@H]1CN(CCO[C@H](C)C#N)C[C@@H]1OC	ZINC000304220644	644877230	/nfs/dbraw/zinc/87/72/30/644877230.db2.gz	HMPBBLJJVIZXPK-MXWKQRLJSA-N	0	1	228.292	0.261	20	30		BCEDMN
C[C@@H](C#N)OCC[N@@H+](C)Cc1cnn(C)c1	ZINC000304250918	644882356	/nfs/dbraw/zinc/88/23/56/644882356.db2.gz	QYTOXVOAZWPOIQ-JTQLQIEISA-N	0	1	222.292	0.781	20	30		BCEDMN
C[C@@H](C#N)OCCN(C)Cc1cnn(C)c1	ZINC000304250918	644882358	/nfs/dbraw/zinc/88/23/58/644882358.db2.gz	QYTOXVOAZWPOIQ-JTQLQIEISA-N	0	1	222.292	0.781	20	30		BCEDMN
CC(C)C(=O)CCN1CC[C@](O)(CC#N)C1	ZINC000829997773	645113419	/nfs/dbraw/zinc/11/34/19/645113419.db2.gz	CDHNNMKAFNQBSO-GFCCVEGCSA-N	0	1	224.304	0.952	20	30		BCEDMN
CC(C)C(=O)CCN1CC[C@@](O)(CC#N)C1	ZINC000829997774	645113698	/nfs/dbraw/zinc/11/36/98/645113698.db2.gz	CDHNNMKAFNQBSO-LBPRGKRZSA-N	0	1	224.304	0.952	20	30		BCEDMN
C#CC1CCN(C[C@@H](C)S(C)(=O)=O)CC1	ZINC000830352064	645122251	/nfs/dbraw/zinc/12/22/51/645122251.db2.gz	ZMQWOPWYXLENGB-SNVBAGLBSA-N	0	1	229.345	0.765	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000834484122	645143870	/nfs/dbraw/zinc/14/38/70/645143870.db2.gz	DYPULBPFOBDFQW-MJDLHHQISA-N	0	1	233.315	0.650	20	30		BCEDMN
C[C@H](CN(C)C(=O)C#CC(C)(C)C)c1nn[nH]n1	ZINC000837528908	645202300	/nfs/dbraw/zinc/20/23/00/645202300.db2.gz	KXIGOYVNQYPRGZ-SECBINFHSA-N	0	1	249.318	0.811	20	30		BCEDMN
C[C@H](NC(=O)N[C@@H]1CNC[C@H]1C#N)C1CC1	ZINC000841507090	645217249	/nfs/dbraw/zinc/21/72/49/645217249.db2.gz	SLTRCJLCTNDCQY-FXBDTBDDSA-N	0	1	222.292	0.196	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cn3c(n2)CCC3)NO1	ZINC000843840137	645310352	/nfs/dbraw/zinc/31/03/52/645310352.db2.gz	LMYQRHPICLVMAE-ZETCQYMHSA-N	0	1	234.259	0.681	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2C[N@H+]3C[C@@H]2CCC3)nn1	ZINC000926614278	645316375	/nfs/dbraw/zinc/31/63/75/645316375.db2.gz	KUGBIQUTCDWLIZ-WCQYABFASA-N	0	1	247.346	0.648	20	30		BCEDMN
C=CCn1cc(C[NH2+][C@H]2CN3C[C@@H]2CCC3)nn1	ZINC000926614277	645316829	/nfs/dbraw/zinc/31/68/29/645316829.db2.gz	KUGBIQUTCDWLIZ-AAEUAGOBSA-N	0	1	247.346	0.648	20	30		BCEDMN
CC[C@@H]1COC[C@@H]1N1CCN(CCC#N)CC1	ZINC000926807241	645440173	/nfs/dbraw/zinc/44/01/73/645440173.db2.gz	KBMMKZLPAXQNSQ-OLZOCXBDSA-N	0	1	237.347	0.943	20	30		BCEDMN
C=C(C)C[C@@H](CO)N[C@@H](C)c1cnn(C)n1	ZINC000926866886	645463591	/nfs/dbraw/zinc/46/35/91/645463591.db2.gz	ZGVIZUVKTZHHHO-UWVGGRQHSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CCN1CCC[C@H](N[C@H](C)c2cnn(C)n2)C1	ZINC000926868158	645466643	/nfs/dbraw/zinc/46/66/43/645466643.db2.gz	ODSBVYPUYRBNKF-NEPJUHHUSA-N	0	1	247.346	0.563	20	30		BCEDMN
CC1(C)OC[C@H](CN2CC[C@@](O)(CC#N)C2)O1	ZINC000852204638	645472573	/nfs/dbraw/zinc/47/25/73/645472573.db2.gz	FDZPGKAUHURIER-JQWIXIFHSA-N	0	1	240.303	0.488	20	30		BCEDMN
C=C[C@H](O)C(=O)NCc1cc(N(C)C)ccn1	ZINC000927698445	645639857	/nfs/dbraw/zinc/63/98/57/645639857.db2.gz	YWRMRAKWLZZTPY-NSHDSACASA-N	0	1	235.287	0.311	20	30		BCEDMN
C=CCOCC(=O)NCc1cc(N(C)C)ccn1	ZINC000927704009	645641907	/nfs/dbraw/zinc/64/19/07/645641907.db2.gz	OTPMWZWECRJDET-UHFFFAOYSA-N	0	1	249.314	0.966	20	30		BCEDMN
C=CCN1CC(=O)N(Cc2n[nH]c(CC)n2)C1=O	ZINC000927722397	645647333	/nfs/dbraw/zinc/64/73/33/645647333.db2.gz	XRKPSZPLDCGAAY-UHFFFAOYSA-N	0	1	249.274	0.317	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCc2n[nH]nc2C1	ZINC000878491499	645814971	/nfs/dbraw/zinc/81/49/71/645814971.db2.gz	MMVOPNDNPZSUOU-JTQLQIEISA-N	0	1	236.275	0.281	20	30		BCEDMN
C#CCOCCN1CCC[C@@H]2CCNC(=O)[C@@H]21	ZINC000880527830	645835953	/nfs/dbraw/zinc/83/59/53/645835953.db2.gz	VOPFTWZESUEPFC-VXGBXAGGSA-N	0	1	236.315	0.237	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)Cc1ccc(C#N)nc1	ZINC000928579038	645836967	/nfs/dbraw/zinc/83/69/67/645836967.db2.gz	POXDCXQATBWFHD-GFCCVEGCSA-N	0	1	244.298	0.316	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H](C)CC#N)CC1	ZINC000928648289	645852616	/nfs/dbraw/zinc/85/26/16/645852616.db2.gz	JIDRCLQHYKNGHQ-LLVKDONJSA-N	0	1	233.315	0.750	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H]2CC2(F)F)CC1	ZINC000928651592	645853056	/nfs/dbraw/zinc/85/30/56/645853056.db2.gz	WUTBTDALWFYXMW-SNVBAGLBSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ccncn2)CC1	ZINC000928652926	645853244	/nfs/dbraw/zinc/85/32/44/645853244.db2.gz	RMNIJVIZTCIQAC-UHFFFAOYSA-N	0	1	244.298	0.304	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ncccn2)CC1	ZINC000928654921	645854134	/nfs/dbraw/zinc/85/41/34/645854134.db2.gz	HVMPKPKDADGHBX-UHFFFAOYSA-N	0	1	244.298	0.304	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2nonc2C)CC1	ZINC000928654912	645854207	/nfs/dbraw/zinc/85/42/07/645854207.db2.gz	HUKCOUQVGADDDI-UHFFFAOYSA-N	0	1	248.286	0.205	20	30		BCEDMN
C=CCN(CC=C)C[C@H](O)C1(O)CCOCC1	ZINC000929259883	646043101	/nfs/dbraw/zinc/04/31/01/646043101.db2.gz	QIVHQDOIJUYMFZ-LBPRGKRZSA-N	0	1	241.331	0.563	20	30		BCEDMN
C=CCC[C@H]1NC(=O)N(C[C@H]2CCN2C)C1=O	ZINC000925196511	646206326	/nfs/dbraw/zinc/20/63/26/646206326.db2.gz	NLFDCLIAFJOIST-NXEZZACHSA-N	0	1	237.303	0.577	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCN1C	ZINC000925403649	646261902	/nfs/dbraw/zinc/26/19/02/646261902.db2.gz	NFJAGSJMTLEJAM-ZJUUUORDSA-N	0	1	224.308	0.492	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)NC[C@H]1CCN1C	ZINC000925432738	646278292	/nfs/dbraw/zinc/27/82/92/646278292.db2.gz	URPXZAWFQYIVDD-WDEREUQCSA-N	0	1	241.335	0.317	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCC2(C1)OCCO2	ZINC000929962363	646379834	/nfs/dbraw/zinc/37/98/34/646379834.db2.gz	BGZXAOSAOHNGEF-JTQLQIEISA-N	0	1	213.277	0.372	20	30		BCEDMN
N#CC[C@@H](O)CN[C@]1(CO)CCc2ccccc21	ZINC000930062043	646414372	/nfs/dbraw/zinc/41/43/72/646414372.db2.gz	JPLLYISALLRDLB-OCCSQVGLSA-N	0	1	246.310	0.685	20	30		BCEDMN
N#CC[C@@H](O)CN[C@@]1(CO)CCc2ccccc21	ZINC000930062044	646414617	/nfs/dbraw/zinc/41/46/17/646414617.db2.gz	JPLLYISALLRDLB-TZMCWYRMSA-N	0	1	246.310	0.685	20	30		BCEDMN
N#CC[C@@H](O)CN1CC[C@@H](C(F)F)C1	ZINC000930127397	646450785	/nfs/dbraw/zinc/45/07/85/646450785.db2.gz	QKPYXDHHQYEGBA-HTQZYQBOSA-N	0	1	204.220	0.848	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN2C(=O)CC[C@H]2C1	ZINC000930142382	646454610	/nfs/dbraw/zinc/45/46/10/646454610.db2.gz	KHHMMHCFGBECCY-QWRGUYRKSA-N	0	1	224.304	0.230	20	30		BCEDMN
CNc1ncc(C(=O)OCC#CCOC)s1	ZINC000393749005	711677091	/nfs/dbraw/zinc/67/70/91/711677091.db2.gz	AKMULDIGDVSNTP-UHFFFAOYSA-N	0	1	240.284	0.413	20	30		BCEDMN
C=CCCOCC(=O)NC[C@@H]1CCN1C	ZINC000928566446	711779166	/nfs/dbraw/zinc/77/91/66/711779166.db2.gz	PRUHNDAEIPYCMS-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C	ZINC001038094903	711840645	/nfs/dbraw/zinc/84/06/45/711840645.db2.gz	IKOOGELUCGNYBW-NEPJUHHUSA-N	0	1	237.347	0.457	20	30		BCEDMN
C#CCNC(=O)CN1CCC(CCOC)CC1	ZINC000704135743	712100276	/nfs/dbraw/zinc/10/02/76/712100276.db2.gz	PVZLVMFWZZEBFZ-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CC1(O)CCN(Cc2cnn(CC)c2)CC1	ZINC000708135248	712182343	/nfs/dbraw/zinc/18/23/43/712182343.db2.gz	XNXKOWPKGWEEPY-UHFFFAOYSA-N	0	1	233.315	0.863	20	30		BCEDMN
CC[C@](C)(C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708396229	712192373	/nfs/dbraw/zinc/19/23/73/712192373.db2.gz	QYOYCVJBRQLDCY-SNVBAGLBSA-N	0	1	222.248	0.548	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)C1=NC(=O)N(C)C1	ZINC000708405152	712192463	/nfs/dbraw/zinc/19/24/63/712192463.db2.gz	DIKYJLARAOJLEF-MRVPVSSYSA-N	0	1	236.275	0.747	20	30		BCEDMN
C[C@H](O)[C@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000708422528	712193690	/nfs/dbraw/zinc/19/36/90/712193690.db2.gz	GPVZATZANICCME-QWRGUYRKSA-N	0	1	239.319	0.109	20	30		BCEDMN
CN1CC[C@H]1CNc1cc(C#N)ncn1	ZINC000712570617	712447392	/nfs/dbraw/zinc/44/73/92/712447392.db2.gz	STBRSOXSBKJMOC-VIFPVBQESA-N	0	1	203.249	0.464	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C(C)(C)O)CC1	ZINC000716339222	712555332	/nfs/dbraw/zinc/55/53/32/712555332.db2.gz	FBCYGNURPVDKNX-UHFFFAOYSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCCN(CCOC)Cc1cnn(C)c1	ZINC000852751808	712612914	/nfs/dbraw/zinc/61/29/14/712612914.db2.gz	GDDZXWGBTDWXHG-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
C=CCC1(O)CCN(CC(=O)NC2CC2)CC1	ZINC000717397793	712654601	/nfs/dbraw/zinc/65/46/01/712654601.db2.gz	LWKCZSQMEOGDCP-UHFFFAOYSA-N	0	1	238.331	0.668	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCC#CCN(C)C	ZINC000717665445	712663816	/nfs/dbraw/zinc/66/38/16/712663816.db2.gz	GESVTYOHVOTKRN-GFCCVEGCSA-N	0	1	221.304	0.607	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccnn1CC	ZINC000717785150	712676295	/nfs/dbraw/zinc/67/62/95/712676295.db2.gz	BGCYAEOATODDDO-SNVBAGLBSA-N	0	1	207.277	0.377	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1cnc[nH]1	ZINC000380123924	712688318	/nfs/dbraw/zinc/68/83/18/712688318.db2.gz	REXKCFAXYSCMRY-UHFFFAOYSA-N	0	1	229.305	0.100	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H](C(C)(C)O)C1	ZINC000719652483	712821454	/nfs/dbraw/zinc/82/14/54/712821454.db2.gz	BDNPVZCDBATZAB-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cnccn1	ZINC001038020131	712898897	/nfs/dbraw/zinc/89/88/97/712898897.db2.gz	FMJDAWPGFNSROD-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C[C@H](O)CN(C)Cc1cncc(C#N)c1	ZINC000721537739	710680046	/nfs/dbraw/zinc/68/00/46/710680046.db2.gz	CCDBEWAUAFLJLV-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1	ZINC001038790717	710706531	/nfs/dbraw/zinc/70/65/31/710706531.db2.gz	ABMZAODIHMTXNR-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
CCC[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000393790643	710719508	/nfs/dbraw/zinc/71/95/08/710719508.db2.gz	LSPPANBBFUDXPJ-LPEHRKFASA-N	0	1	209.293	0.650	20	30		BCEDMN
CC(C)[N@@H+]1CC(=NNCC(=O)[O-])[C@@H](C)C1	ZINC000382084958	710775494	/nfs/dbraw/zinc/77/54/94/710775494.db2.gz	XDNNTPVAMPTLCV-QMMMGPOBSA-N	0	1	213.281	0.377	20	30		BCEDMN
OC[C@]1(NCC#Cc2ccccc2)CCOC1	ZINC000393900645	710821186	/nfs/dbraw/zinc/82/11/86/710821186.db2.gz	AKCASYFFFDSPHZ-CQSZACIVSA-N	0	1	231.295	0.779	20	30		BCEDMN
OC[C@@]1(NCC#Cc2ccccc2)CCOC1	ZINC000393900642	710822017	/nfs/dbraw/zinc/82/20/17/710822017.db2.gz	AKCASYFFFDSPHZ-AWEZNQCLSA-N	0	1	231.295	0.779	20	30		BCEDMN
C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC001044477587	710826789	/nfs/dbraw/zinc/82/67/89/710826789.db2.gz	DVNCYPYUOZMVSN-NXEZZACHSA-N	0	1	247.302	0.516	20	30		BCEDMN
CC(=NN[C@@H]1CCOC1)c1ccc(N)nc1	ZINC000393927173	710828685	/nfs/dbraw/zinc/82/86/85/710828685.db2.gz	TYMSRLQEUYQDJV-SNVBAGLBSA-N	0	1	220.276	0.597	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1	ZINC001046123137	710849999	/nfs/dbraw/zinc/84/99/99/710849999.db2.gz	QGXWYPGLDKUNAF-YPMHNXCESA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1	ZINC001046124596	710850284	/nfs/dbraw/zinc/85/02/84/710850284.db2.gz	XLWKBWRGRPTYIZ-DGCLKSJQSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1	ZINC001046195104	710854338	/nfs/dbraw/zinc/85/43/38/710854338.db2.gz	KUUREKSINQPQOO-ZDUSSCGKSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2ccn(C)c2)C1	ZINC001046239860	710857547	/nfs/dbraw/zinc/85/75/47/710857547.db2.gz	UDCQHWNEKCKWDB-AWEZNQCLSA-N	0	1	245.326	0.853	20	30		BCEDMN
C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1	ZINC001047276872	710870553	/nfs/dbraw/zinc/87/05/53/710870553.db2.gz	HWDQPDJZWKAGJK-RYUDHWBXSA-N	0	1	238.331	0.476	20	30		BCEDMN
C=C(Cl)CN[C@H]1CN(C(=O)COC)C[C@@H]1C	ZINC001054304201	710925476	/nfs/dbraw/zinc/92/54/76/710925476.db2.gz	WPNOJHLUVPVLIX-WPRPVWTQSA-N	0	1	246.738	0.822	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@H](C)[C@H](NCC#N)C2)n[nH]1	ZINC001054466567	710935274	/nfs/dbraw/zinc/93/52/74/710935274.db2.gz	MHEUTOOFHCZDFY-GZMMTYOYSA-N	0	1	247.302	0.292	20	30		BCEDMN
COCCCNN=C(C)c1ccc(N)nc1	ZINC000393463863	711160128	/nfs/dbraw/zinc/16/01/28/711160128.db2.gz	HMNGDEVISPAREF-UHFFFAOYSA-N	0	1	222.292	0.844	20	30		BCEDMN
C#C[C@@H](C)NCc1cnn(CCOC)c1	ZINC000393630161	711167038	/nfs/dbraw/zinc/16/70/38/711167038.db2.gz	IICJAPIIISZQRO-SNVBAGLBSA-N	0	1	207.277	0.641	20	30		BCEDMN
C#CCN1C[C@@H](NC(=O)CC)CC[C@H]1C	ZINC001071278759	711183194	/nfs/dbraw/zinc/18/31/94/711183194.db2.gz	IWFUULATZWCZGH-MNOVXSKESA-N	0	1	208.305	0.999	20	30		BCEDMN
CC#CCN1C[C@H](NC(C)=O)CC[C@H]1C	ZINC001071289788	711185853	/nfs/dbraw/zinc/18/58/53/711185853.db2.gz	XJJSFZFWYMTXKL-ZYHUDNBSSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2c(C)ncn2C)C1	ZINC001014825858	710613919	/nfs/dbraw/zinc/61/39/19/710613919.db2.gz	XSOUAFUQCBTFGQ-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CCCC1	ZINC000381480115	710643550	/nfs/dbraw/zinc/64/35/50/710643550.db2.gz	CNQHOUREWJCDCB-NXEZZACHSA-N	0	1	207.277	0.404	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)C1=CCOCC1	ZINC001038190739	710678429	/nfs/dbraw/zinc/67/84/29/710678429.db2.gz	OCWKYNOQQORKRN-ZDUSSCGKSA-N	0	1	248.326	0.547	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2ncc[nH]2)CC1	ZINC001045433666	710839736	/nfs/dbraw/zinc/83/97/36/710839736.db2.gz	LHXOOVCYBNUVIP-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1	ZINC001046169209	710851565	/nfs/dbraw/zinc/85/15/65/710851565.db2.gz	MPQGOLSJFRZGEK-ZDUSSCGKSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1	ZINC001046169208	710851855	/nfs/dbraw/zinc/85/18/55/710851855.db2.gz	MPQGOLSJFRZGEK-CYBMUJFWSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2)C1	ZINC001046335228	710860077	/nfs/dbraw/zinc/86/00/77/710860077.db2.gz	GMOVEKYNPMJJKN-CYBMUJFWSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2)C1	ZINC001046335228	710860083	/nfs/dbraw/zinc/86/00/83/710860083.db2.gz	GMOVEKYNPMJJKN-CYBMUJFWSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)CCC)C2)C1	ZINC001072397978	711368559	/nfs/dbraw/zinc/36/85/59/711368559.db2.gz	RJWGMIGEHXYYHZ-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C[C@@H](C(=O)NCC#C[C@H]1CCCCO1)N(C)C	ZINC000891113203	711483322	/nfs/dbraw/zinc/48/33/22/711483322.db2.gz	VWQTUWJHFVTGFZ-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
O=C(Cc1nnc[nH]1)NCC#C[C@@H]1CCCCO1	ZINC000891117090	711484043	/nfs/dbraw/zinc/48/40/43/711484043.db2.gz	SLRSYRHYAOVMSB-JTQLQIEISA-N	0	1	248.286	0.036	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1	ZINC000971024162	711494893	/nfs/dbraw/zinc/49/48/93/711494893.db2.gz	DQYSRNJLTCNUCU-LLVKDONJSA-N	0	1	247.298	0.763	20	30		BCEDMN
CCC1(CC)CNC(=O)[C@@H]1NCC#CCOC	ZINC000933287961	711511104	/nfs/dbraw/zinc/51/11/04/711511104.db2.gz	GUTZNBLSJPKYMS-NSHDSACASA-N	0	1	238.331	0.531	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnccn1	ZINC000716929337	711588317	/nfs/dbraw/zinc/58/83/17/711588317.db2.gz	RLUXTVGUWXTMPN-JTQLQIEISA-N	0	1	205.261	0.605	20	30		BCEDMN
C#C[C@H]1CCCCN1CCn1cnnn1	ZINC000934520040	711591549	/nfs/dbraw/zinc/59/15/49/711591549.db2.gz	WFAHRAKHLYIZHT-JTQLQIEISA-N	0	1	205.265	0.161	20	30		BCEDMN
C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1	ZINC000972581350	711636365	/nfs/dbraw/zinc/63/63/65/711636365.db2.gz	LQZDJSTVXZVTFH-VIFPVBQESA-N	0	1	236.275	0.402	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2cnn(C)c2)C1	ZINC001006713653	711728560	/nfs/dbraw/zinc/72/85/60/711728560.db2.gz	QPISYAPPYFKBNH-LBPRGKRZSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cn(C)cn1	ZINC001027824501	711736546	/nfs/dbraw/zinc/73/65/46/711736546.db2.gz	JGCPGUWZLNMBLE-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ncc[nH]1	ZINC001027872489	711740092	/nfs/dbraw/zinc/74/00/92/711740092.db2.gz	RXHJKDMQBKQDRU-JTQLQIEISA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1	ZINC001075600488	711755920	/nfs/dbraw/zinc/75/59/20/711755920.db2.gz	WAAWFPLBFQDDNN-RWMBFGLXSA-N	0	1	248.326	0.189	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1	ZINC001075770710	711774198	/nfs/dbraw/zinc/77/41/98/711774198.db2.gz	IMZZDOLKPRLLPP-WDEREUQCSA-N	0	1	244.298	0.189	20	30		BCEDMN
CC(=O)N1CCCN(CCO[C@@H](C)C#N)CC1	ZINC000384150536	711793129	/nfs/dbraw/zinc/79/31/29/711793129.db2.gz	PVXQZHXCRVMKRV-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(F)F)C1	ZINC001076659896	711807429	/nfs/dbraw/zinc/80/74/29/711807429.db2.gz	OOIOSQXWHXGPPN-RKDXNWHRSA-N	0	1	248.273	0.379	20	30		BCEDMN
CC(C)(C#N)CNC[C@@H](O)C1(O)CCOCC1	ZINC000905202265	711812651	/nfs/dbraw/zinc/81/26/51/711812651.db2.gz	GSBNKBWQCMIQQH-SNVBAGLBSA-N	0	1	242.319	0.028	20	30		BCEDMN
C#CCN(C(=O)[C@@H](C)N(C)C)C1CSC1	ZINC000912362742	711820387	/nfs/dbraw/zinc/82/03/87/711820387.db2.gz	VPLRGVDOWBZYKR-SECBINFHSA-N	0	1	226.345	0.514	20	30		BCEDMN
Cc1ncc(CC(=O)NCC#CCN(C)C)o1	ZINC000913524369	711823480	/nfs/dbraw/zinc/82/34/80/711823480.db2.gz	KIANHVBNTFOLLO-UHFFFAOYSA-N	0	1	235.287	0.207	20	30		BCEDMN
C[C@@H](C(=O)NCC#CCN(C)C)[C@@H]1CCCO1	ZINC000913524420	711823538	/nfs/dbraw/zinc/82/35/38/711823538.db2.gz	MHVFSAWTWTZDIO-NEPJUHHUSA-N	0	1	238.331	0.483	20	30		BCEDMN
CCO[C@H](C(=O)NCC#CCN(C)C)C1CC1	ZINC000913524428	711823645	/nfs/dbraw/zinc/82/36/45/711823645.db2.gz	MMBDZULUUYMUCB-LBPRGKRZSA-N	0	1	238.331	0.483	20	30		BCEDMN
CCn1cc(C(=O)NCC#CCN(C)C)c(C)n1	ZINC000913524661	711823665	/nfs/dbraw/zinc/82/36/65/711823665.db2.gz	XBFNKJAAMPKZPH-UHFFFAOYSA-N	0	1	248.330	0.506	20	30		BCEDMN
C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCOC1	ZINC001038099314	711824955	/nfs/dbraw/zinc/82/49/55/711824955.db2.gz	WNFKTESXFFUCJQ-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2ncc[nH]2)CC1	ZINC001002769100	711951862	/nfs/dbraw/zinc/95/18/62/711951862.db2.gz	LERZBXYNKKGPHF-UHFFFAOYSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1ccn[nH]1	ZINC001038083593	711952680	/nfs/dbraw/zinc/95/26/80/711952680.db2.gz	QVOSBWZPIYPIRS-SNVBAGLBSA-N	0	1	232.287	0.237	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cn[nH]c1	ZINC001038085766	711955897	/nfs/dbraw/zinc/95/58/97/711955897.db2.gz	HQVPVWCQEFBKCY-LLVKDONJSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cn2cccn2)C1	ZINC001032905761	711966810	/nfs/dbraw/zinc/96/68/10/711966810.db2.gz	OGRSJFDPAPHCIO-LBPRGKRZSA-N	0	1	246.314	0.049	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1	ZINC001032897093	711966957	/nfs/dbraw/zinc/96/69/57/711966957.db2.gz	TZDHTYZGCIZQSE-LBPRGKRZSA-N	0	1	248.330	0.752	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)C2=COCCC2)C1	ZINC001032939735	711969257	/nfs/dbraw/zinc/96/92/57/711969257.db2.gz	FQXRXCVTTCCGOJ-CYBMUJFWSA-N	0	1	248.326	0.847	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnnn2C)C1	ZINC001033056641	711972745	/nfs/dbraw/zinc/97/27/45/711972745.db2.gz	GCHJJZJDYGYMIF-JTQLQIEISA-N	0	1	249.318	0.147	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1	ZINC001033070110	711973950	/nfs/dbraw/zinc/97/39/50/711973950.db2.gz	VZTSOJGXSNQSDD-SNVBAGLBSA-N	0	1	234.303	0.742	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1	ZINC001033355846	711987536	/nfs/dbraw/zinc/98/75/36/711987536.db2.gz	GMOBGNOKYLEVQG-GFCCVEGCSA-N	0	1	247.298	0.383	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)Cc2ccco2)C1	ZINC001033516601	711998785	/nfs/dbraw/zinc/99/87/85/711998785.db2.gz	BXAXVBCVCSWJOM-GFCCVEGCSA-N	0	1	246.310	0.988	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2ccco2)C1	ZINC001033516602	711999146	/nfs/dbraw/zinc/99/91/46/711999146.db2.gz	BXAXVBCVCSWJOM-LBPRGKRZSA-N	0	1	246.310	0.988	20	30		BCEDMN
C#CCN1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1	ZINC001034196740	712049959	/nfs/dbraw/zinc/04/99/59/712049959.db2.gz	DZBITULMZRIYNC-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CC1(O)CCN(CCO[C@@H]2CC2(F)F)CC1	ZINC000708101929	712182141	/nfs/dbraw/zinc/18/21/41/712182141.db2.gz	HLUBVNICPFVJJK-SNVBAGLBSA-N	0	1	245.269	0.871	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1	ZINC000708338552	712189467	/nfs/dbraw/zinc/18/94/67/712189467.db2.gz	QZBBQSOBJAXWOC-VIFPVBQESA-N	0	1	233.271	0.611	20	30		BCEDMN
C#C[C@@H](NC(=O)C1=NC(=O)N(C)C1)C(C)(C)C	ZINC000708367714	712190699	/nfs/dbraw/zinc/19/06/99/712190699.db2.gz	UVFNKZLTKQBUHC-SECBINFHSA-N	0	1	235.287	0.903	20	30		BCEDMN
CN1CC(C(=O)N2CCC[C@@H](CC#N)C2)=NC1=O	ZINC000708405333	712192388	/nfs/dbraw/zinc/19/23/88/712192388.db2.gz	IWYNUVFMCNRWOU-VIFPVBQESA-N	0	1	248.286	0.892	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395903	712192712	/nfs/dbraw/zinc/19/27/12/712192712.db2.gz	KYSOGFUUESJJEM-ZETCQYMHSA-N	0	1	222.248	0.548	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@@]1(C)CNCCO1	ZINC000710710569	712254990	/nfs/dbraw/zinc/25/49/90/712254990.db2.gz	KDHWMSVQJOXWHY-SECBINFHSA-N	0	1	218.684	0.234	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)[C@@]1(COC)CNCCO1	ZINC000710847857	712258510	/nfs/dbraw/zinc/25/85/10/712258510.db2.gz	AJUQLGWOKSSHRS-PWSUYJOCSA-N	0	1	242.319	0.072	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1	ZINC001079416579	712347971	/nfs/dbraw/zinc/34/79/71/712347971.db2.gz	IBMMHFUQHRIFSV-ZYHUDNBSSA-N	0	1	231.299	0.698	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001079446854	712349247	/nfs/dbraw/zinc/34/92/47/712349247.db2.gz	UDBBQGRLETXIJR-MWLCHTKSSA-N	0	1	232.287	0.093	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001079734570	712349600	/nfs/dbraw/zinc/34/96/00/712349600.db2.gz	OAUNFSOZAAAOKG-CZXHOFHRSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(F)F)C1	ZINC001079667083	712349874	/nfs/dbraw/zinc/34/98/74/712349874.db2.gz	LWRDGIVCYBSTCH-KXUCPTDWSA-N	0	1	242.269	0.711	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001080937467	712354024	/nfs/dbraw/zinc/35/40/24/712354024.db2.gz	LZHZLWCBTNJYJT-ZYHUDNBSSA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCNC(=O)CN1CCCO[C@@H](C(C)C)C1	ZINC000378872973	712365530	/nfs/dbraw/zinc/36/55/30/712365530.db2.gz	SLOBNGPRQASLQN-GFCCVEGCSA-N	0	1	238.331	0.483	20	30		BCEDMN
Cc1cc(NC[C@H]2CCN2C)c(C#N)cn1	ZINC000712593546	712435435	/nfs/dbraw/zinc/43/54/35/712435435.db2.gz	ZHNGWOSIPVQVLN-LLVKDONJSA-N	0	1	216.288	0.800	20	30		BCEDMN
N#Cc1ccc(C(=O)NC23CCN(CC2)C3)nc1	ZINC000715508489	712524295	/nfs/dbraw/zinc/52/42/95/712524295.db2.gz	OOIDFGCOVBENBW-UHFFFAOYSA-N	0	1	242.282	0.531	20	30		BCEDMN
C=C(C)C[N@H+]1C[C@H]2COCC[C@]2(C(=O)[O-])C1	ZINC000715835076	712534462	/nfs/dbraw/zinc/53/44/62/712534462.db2.gz	USTKZNRUPYNGHG-JQWIXIFHSA-N	0	1	225.288	0.986	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)c1[nH]nc(C)c1C	ZINC000716624586	712568204	/nfs/dbraw/zinc/56/82/04/712568204.db2.gz	TXOJGLPXFUVNCU-JTQLQIEISA-N	0	1	235.287	0.795	20	30		BCEDMN
C#CCONC(=O)Cc1cccc(OCC)n1	ZINC000812782327	712586191	/nfs/dbraw/zinc/58/61/91/712586191.db2.gz	WOKKMNZKXWUQMG-UHFFFAOYSA-N	0	1	234.255	0.704	20	30		BCEDMN
C=CCOCCN1CCC[C@@H]2CCNC(=O)[C@H]21	ZINC000880523705	712633542	/nfs/dbraw/zinc/63/35/42/712633542.db2.gz	KNGILGSRGCLKQG-NEPJUHHUSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCC1(O)CCN([C@H](C)C(N)=O)CC1	ZINC000717406398	712655830	/nfs/dbraw/zinc/65/58/30/712655830.db2.gz	NOMFRTQXRUOSQR-SECBINFHSA-N	0	1	212.293	0.263	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1ccccc1	ZINC000717531645	712660650	/nfs/dbraw/zinc/66/06/50/712660650.db2.gz	HJMJZUBLJVXCQO-GFCCVEGCSA-N	0	1	205.257	0.305	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc(C)ns1	ZINC000717726563	712667593	/nfs/dbraw/zinc/66/75/93/712667593.db2.gz	CUCYWXGMBUFRNJ-VIFPVBQESA-N	0	1	210.302	0.925	20	30		BCEDMN
C#CC[C@@H](CO)N[C@H](C)c1cnccn1	ZINC000717778190	712675769	/nfs/dbraw/zinc/67/57/69/712675769.db2.gz	YLVBRBPCXBCHME-ZJUUUORDSA-N	0	1	205.261	0.511	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cccc(OC)n1	ZINC000717840301	712687022	/nfs/dbraw/zinc/68/70/22/712687022.db2.gz	FZSZSHBGNBUQTA-GFCCVEGCSA-N	0	1	234.299	0.954	20	30		BCEDMN
N#C[C@@H]1CCCN(C[C@@H]2CNC(=O)C2)C1	ZINC000932154972	712716252	/nfs/dbraw/zinc/71/62/52/712716252.db2.gz	UGOINCMNVVMPHD-UWVGGRQHSA-N	0	1	207.277	0.358	20	30		BCEDMN
N#CCC(=O)N[C@H]1CCCN2CCSC[C@@H]12	ZINC000720511297	712847906	/nfs/dbraw/zinc/84/79/06/712847906.db2.gz	MTYFGMSKHFOTNB-UWVGGRQHSA-N	0	1	239.344	0.596	20	30		BCEDMN
N#CCC(=O)N[C@@H]1CCCN2CCSC[C@H]12	ZINC000720511296	712847934	/nfs/dbraw/zinc/84/79/34/712847934.db2.gz	MTYFGMSKHFOTNB-NXEZZACHSA-N	0	1	239.344	0.596	20	30		BCEDMN
C[C@H](C(=O)N[C@]1(C#N)CCSC1)N(C)C	ZINC000602085989	349433497	/nfs/dbraw/zinc/43/34/97/349433497.db2.gz	LNNBUFOAGAXEDC-SCZZXKLOSA-N	0	1	227.333	0.452	20	30		BCEDMN
CN(CC#N)C(=O)[C@H]1CCN1C1CCCC1	ZINC000602085852	349433529	/nfs/dbraw/zinc/43/35/29/349433529.db2.gz	KIZHJOAGUKUEJY-LLVKDONJSA-N	0	1	221.304	0.985	20	30		BCEDMN
Cc1nc[nH]c1C(=O)NC1(C#N)CCN(C)CC1	ZINC000602096416	349448214	/nfs/dbraw/zinc/44/82/14/349448214.db2.gz	JFPFTSLZMHKMSD-UHFFFAOYSA-N	0	1	247.302	0.436	20	30		BCEDMN
C[C@H](C(=O)N1CC[C@@](F)(C#N)C1)N(C)C	ZINC000602144303	349451933	/nfs/dbraw/zinc/45/19/33/349451933.db2.gz	VCHWWCJZHCGGDB-PSASIEDQSA-N	0	1	213.256	0.401	20	30		BCEDMN
C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)N(C)C	ZINC000602153115	349462145	/nfs/dbraw/zinc/46/21/45/349462145.db2.gz	KGVRVRQRBVUWSO-LDYMZIIASA-N	0	1	209.293	0.745	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NCCN1CCCC1=O	ZINC000309492955	136218906	/nfs/dbraw/zinc/21/89/06/136218906.db2.gz	JHCOUXMMAPBWDO-MNOVXSKESA-N	0	1	221.304	0.891	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NCCN1CCCC1=O	ZINC000309492958	136218929	/nfs/dbraw/zinc/21/89/29/136218929.db2.gz	JHCOUXMMAPBWDO-QWRGUYRKSA-N	0	1	221.304	0.891	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CC(C)C1	ZINC000576409379	365589153	/nfs/dbraw/zinc/58/91/53/365589153.db2.gz	RIQBAKCDQAQBKL-SNVBAGLBSA-N	0	1	209.293	0.699	20	30		BCEDMN
CNC(=O)N1CCN(C[C@H](C)CCC#N)CC1	ZINC000602478408	349564578	/nfs/dbraw/zinc/56/45/78/349564578.db2.gz	YEWLKUVGQBGWFG-LLVKDONJSA-N	0	1	238.335	0.883	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000296656165	398267654	/nfs/dbraw/zinc/26/76/54/398267654.db2.gz	JMFLZTNMOHUUET-LLVKDONJSA-N	0	1	242.319	0.962	20	30		BCEDMN
C=CCOCCN1CC[C@@H](OC(=O)N(C)C)C1	ZINC000296656165	398267657	/nfs/dbraw/zinc/26/76/57/398267657.db2.gz	JMFLZTNMOHUUET-LLVKDONJSA-N	0	1	242.319	0.962	20	30		BCEDMN
N#C[C@H]1CCC[C@H](NCc2cn[nH]n2)C1	ZINC000600177037	342696448	/nfs/dbraw/zinc/69/64/48/342696448.db2.gz	LSZYVNGHKUPCLK-IUCAKERBSA-N	0	1	205.265	0.977	20	30		BCEDMN
CC(C)OC[C@H](N)C(=O)N(C)[C@@H](C)CC#N	ZINC000602589973	349614189	/nfs/dbraw/zinc/61/41/89/349614189.db2.gz	AJVORHGNBFTTAL-UWVGGRQHSA-N	0	1	227.308	0.499	20	30		BCEDMN
CO[C@H](C)CN1CCCC[C@@H]1/C(N)=N/O	ZINC000167173286	361861864	/nfs/dbraw/zinc/86/18/64/361861864.db2.gz	XVPLKQYHJFIBBZ-RKDXNWHRSA-N	0	1	215.297	0.622	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000583331817	342735302	/nfs/dbraw/zinc/73/53/02/342735302.db2.gz	OUTZKZDZMGGNBT-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCC(C)(C)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000348811219	136239121	/nfs/dbraw/zinc/23/91/21/136239121.db2.gz	NKIJZSOHKFFNOV-UHFFFAOYSA-N	0	1	235.291	0.907	20	30		BCEDMN
N#Cc1ccc(C(=O)NC2(c3nn[nH]n3)CC2)o1	ZINC000348807943	136239147	/nfs/dbraw/zinc/23/91/47/136239147.db2.gz	HFSLSNWIXZVNSJ-UHFFFAOYSA-N	0	1	244.214	0.083	20	30		BCEDMN
CCCc1cc(C(=O)N(C)CC#N)n[nH]1	ZINC000608777522	342895736	/nfs/dbraw/zinc/89/57/36/342895736.db2.gz	PQKSHOARUHKROZ-UHFFFAOYSA-N	0	1	206.249	0.958	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CC(C)(C#N)C1	ZINC000336085385	398315105	/nfs/dbraw/zinc/31/51/05/398315105.db2.gz	QHXJNYXVKKSQAY-SECBINFHSA-N	0	1	207.277	0.453	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cc(C(=O)OC)no1	ZINC000602610753	349634918	/nfs/dbraw/zinc/63/49/18/349634918.db2.gz	ABUHPQSDVYSWEA-QMMMGPOBSA-N	0	1	240.259	0.488	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)c2cnc[nH]2)CC1	ZINC000608783195	342911774	/nfs/dbraw/zinc/91/17/74/342911774.db2.gz	XZCTWDLUTWUCCN-UHFFFAOYSA-N	0	1	233.275	0.127	20	30		BCEDMN
C[C@H](CCC#N)CN1CCn2c(n[nH]c2=O)C1	ZINC000602618228	349639671	/nfs/dbraw/zinc/63/96/71/349639671.db2.gz	RSYRPNVFAJMVPT-SECBINFHSA-N	0	1	235.291	0.739	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CO	ZINC000158876766	398341474	/nfs/dbraw/zinc/34/14/74/398341474.db2.gz	ZFBOACIEPCUGEP-NSHDSACASA-N	0	1	228.336	0.724	20	30		BCEDMN
CO[C@H]1COC[C@@H]1NCc1cc(C#N)n(C)c1	ZINC000289850847	398342495	/nfs/dbraw/zinc/34/24/95/398342495.db2.gz	PPFOLNMZGMINGP-RYUDHWBXSA-N	0	1	235.287	0.400	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)CCc1c[nH]nn1	ZINC000601038356	398344648	/nfs/dbraw/zinc/34/46/48/398344648.db2.gz	LUJMDAYPFKVVMA-MRVPVSSYSA-N	0	1	221.264	0.498	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)CCc1cnn[nH]1	ZINC000601038356	398344649	/nfs/dbraw/zinc/34/46/49/398344649.db2.gz	LUJMDAYPFKVVMA-MRVPVSSYSA-N	0	1	221.264	0.498	20	30		BCEDMN
C[C@@H](Cn1cncn1)NCC1(C#N)CCC1	ZINC000602696101	349692258	/nfs/dbraw/zinc/69/22/58/349692258.db2.gz	CXWAMJIEWWKDBB-JTQLQIEISA-N	0	1	219.292	0.950	20	30		BCEDMN
C[C@@H](CCC#N)C[N@H+]1CCN2C[C@H](O)C[C@H]2C1	ZINC000602704610	349698406	/nfs/dbraw/zinc/69/84/06/349698406.db2.gz	IAZKRKPYIAKCDR-RWMBFGLXSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000533572708	342986228	/nfs/dbraw/zinc/98/62/28/342986228.db2.gz	KJTSNJXEXUZOEH-SECBINFHSA-N	0	1	235.291	0.872	20	30		BCEDMN
C=CCCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000533572708	342986229	/nfs/dbraw/zinc/98/62/29/342986229.db2.gz	KJTSNJXEXUZOEH-SECBINFHSA-N	0	1	235.291	0.872	20	30		BCEDMN
C[C@@H](CCC#N)N(C)[C@@H]1CCN(C)C1=O	ZINC000518193169	259338660	/nfs/dbraw/zinc/33/86/60/259338660.db2.gz	VXLBZTMKDUJGPX-VHSXEESVSA-N	0	1	209.293	0.841	20	30		BCEDMN
CN(C)C(=O)NCCN(C)CC1(CC#N)CC1	ZINC000602795220	349737145	/nfs/dbraw/zinc/73/71/45/349737145.db2.gz	AHPIOCOEXZJMHX-UHFFFAOYSA-N	0	1	238.335	0.883	20	30		BCEDMN
C=C(C)CN1N=C(C)[C@H](NC(C)=O)C1=O	ZINC000634603679	342996342	/nfs/dbraw/zinc/99/63/42/342996342.db2.gz	GPDORZFZLFUCGZ-VIFPVBQESA-N	0	1	209.249	0.285	20	30		BCEDMN
CC(=O)NCCN(C)CCC(C)(C)C#N	ZINC000308186335	259339031	/nfs/dbraw/zinc/33/90/31/259339031.db2.gz	KAOFMBLUUUFRTL-UHFFFAOYSA-N	0	1	211.309	0.994	20	30		BCEDMN
C[C@H]1CC(=O)NCCN1CC1(CC#N)CC1	ZINC000602801591	349741796	/nfs/dbraw/zinc/74/17/96/349741796.db2.gz	WZGSAIHAHDRHPV-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCCCCN1CCN(C(=O)CO)CC1	ZINC000562696806	323028170	/nfs/dbraw/zinc/02/81/70/323028170.db2.gz	HVQQNFPKMNZZAU-UHFFFAOYSA-N	0	1	226.320	0.479	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cc(C#N)ccn1	ZINC000351879512	136262127	/nfs/dbraw/zinc/26/21/27/136262127.db2.gz	QCSFIEBHPOPOAP-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C[C@@H]1CN(Cc2cnc[nH]2)C[C@H](C)N1CC#N	ZINC000602848203	349784082	/nfs/dbraw/zinc/78/40/82/349784082.db2.gz	FLDHKFSSZBRDLB-PHIMTYICSA-N	0	1	233.319	0.828	20	30		BCEDMN
C[C@H]1CN(CCc2cn[nH]n2)C[C@H](C)N1CC#N	ZINC000602850812	349785934	/nfs/dbraw/zinc/78/59/34/349785934.db2.gz	SLGGGYZVNNAICA-QWRGUYRKSA-N	0	1	248.334	0.265	20	30		BCEDMN
C=CCOCC(=O)NCCN1CCCOCC1	ZINC000353689809	136265704	/nfs/dbraw/zinc/26/57/04/136265704.db2.gz	QZSHDSXRTTVIAU-UHFFFAOYSA-N	0	1	242.319	0.028	20	30		BCEDMN
C=CCOCCCn1[nH]c(SC)nc1=O	ZINC000355948361	136266156	/nfs/dbraw/zinc/26/61/56/136266156.db2.gz	XMJQVHQCYCOEON-UHFFFAOYSA-N	0	1	229.305	0.886	20	30		BCEDMN
C=CCNC(=O)[C@H](C)n1cc([C@H](C)NC)nn1	ZINC000640883318	362068807	/nfs/dbraw/zinc/06/88/07/362068807.db2.gz	FXXAIJILYKEGSY-IUCAKERBSA-N	0	1	237.307	0.422	20	30		BCEDMN
C=CCN1CC[C@@H](N(CC)[C@@H]2CCOC2)C1=O	ZINC000361595955	136268612	/nfs/dbraw/zinc/26/86/12/136268612.db2.gz	PZWIPEHKOUGYSO-VXGBXAGGSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](n2cccn2)C1	ZINC000361594346	136268663	/nfs/dbraw/zinc/26/86/63/136268663.db2.gz	JQIMPNXVLGVVBU-NWDGAFQWSA-N	0	1	248.330	0.821	20	30		BCEDMN
CCOCC[C@H](O)CN[C@H](C)CC#N	ZINC000602868424	349798870	/nfs/dbraw/zinc/79/88/70/349798870.db2.gz	BGZKADFQWPEOPS-ZJUUUORDSA-N	0	1	200.282	0.666	20	30		BCEDMN
C[C@H]1CC[N@@H+](CCOCCC#N)C[C@H]1O	ZINC000339063356	136271079	/nfs/dbraw/zinc/27/10/79/136271079.db2.gz	VQQBSDJNODGFFM-WDEREUQCSA-N	0	1	212.293	0.619	20	30		BCEDMN
CC[C@@H](CC#N)NCCC(=O)N1CCOCC1	ZINC000124120154	343167220	/nfs/dbraw/zinc/16/72/20/343167220.db2.gz	FRHDNYKZNIRUOL-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)[C@H](C(=O)OC)C1	ZINC000251719792	343215784	/nfs/dbraw/zinc/21/57/84/343215784.db2.gz	JWICNYOVQNUSPR-NXEZZACHSA-N	0	1	240.303	0.030	20	30		BCEDMN
CC#CC[N@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000339755243	136280841	/nfs/dbraw/zinc/28/08/41/136280841.db2.gz	DYLUNFNZTHMFRG-UHFFFAOYSA-N	0	1	230.271	0.478	20	30		BCEDMN
CC#CC[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000339755243	136280842	/nfs/dbraw/zinc/28/08/42/136280842.db2.gz	DYLUNFNZTHMFRG-UHFFFAOYSA-N	0	1	230.271	0.478	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CN[C@H](C)CC#N	ZINC000602871461	349802833	/nfs/dbraw/zinc/80/28/33/349802833.db2.gz	RUTOPWLHTLJXLF-OUAUKWLOSA-N	0	1	230.308	0.291	20	30		BCEDMN
CCOC(=O)COCCN[C@H](C)CC#N	ZINC000602871671	349803779	/nfs/dbraw/zinc/80/37/79/349803779.db2.gz	UAAPONCEXOKLCF-SECBINFHSA-N	0	1	214.265	0.458	20	30		BCEDMN
CN(CCC(N)=O)Cc1cc(C#N)cs1	ZINC000348837929	136301839	/nfs/dbraw/zinc/30/18/39/136301839.db2.gz	LHDSQXHNZVHXQD-UHFFFAOYSA-N	0	1	223.301	0.927	20	30		BCEDMN
CCCN1CCN(c2ncncc2C#N)CC1	ZINC000310221391	343393037	/nfs/dbraw/zinc/39/30/37/343393037.db2.gz	NDGPSHHHBNOVMC-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
C=CCN1CC[C@@H](n2cc([C@H](C)NC)nn2)C1=O	ZINC000641108826	362226820	/nfs/dbraw/zinc/22/68/20/362226820.db2.gz	MZVJIEYIZNBPPB-GXSJLCMTSA-N	0	1	249.318	0.518	20	30		BCEDMN
C=CCN1CC[C@@H](n2cc([C@@H](C)NC)nn2)C1=O	ZINC000641108834	362226949	/nfs/dbraw/zinc/22/69/49/362226949.db2.gz	MZVJIEYIZNBPPB-MWLCHTKSSA-N	0	1	249.318	0.518	20	30		BCEDMN
Cn1nncc1CNC(=O)[C@H]1CCCN1C	ZINC000329429186	136365557	/nfs/dbraw/zinc/36/55/57/136365557.db2.gz	GVUMMDCQRWCIJH-SECBINFHSA-N	0	1	223.280	0.366	20	30		BCEDMN
C=C[C@@H](CO)N[C@H]1CCCc2c1cnn2C	ZINC000289976050	136375596	/nfs/dbraw/zinc/37/55/96/136375596.db2.gz	XQSHSEJSPZUHJR-ONGXEEELSA-N	0	1	221.304	0.934	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C(C)(C)CC)CC1	ZINC000616702252	343544752	/nfs/dbraw/zinc/54/47/52/343544752.db2.gz	ZSYLODFVWPTMRF-NSHDSACASA-N	0	1	240.347	0.866	20	30		BCEDMN
C#CCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000037184824	166190609	/nfs/dbraw/zinc/19/06/09/166190609.db2.gz	LEAZRWZDSBHXAC-VIFPVBQESA-N	0	1	238.312	0.618	20	30		BCEDMN
C=CCOCC(=O)N(C)CC1CN(C)C1	ZINC000618194102	343604415	/nfs/dbraw/zinc/60/44/15/343604415.db2.gz	QDAGAFMTMLALJN-UHFFFAOYSA-N	0	1	212.293	0.209	20	30		BCEDMN
CN(CCc1c[nH]nn1)[C@H]1CCC[C@@H]1C#N	ZINC000602981880	349833114	/nfs/dbraw/zinc/83/31/14/349833114.db2.gz	KTMXBWKKCBGZIL-KOLCDFICSA-N	0	1	219.292	0.971	20	30		BCEDMN
C=CCOc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000093483465	537801722	/nfs/dbraw/zinc/80/17/22/537801722.db2.gz	PTUCCLWRBXMWTM-OKILXGFUSA-N	0	1	249.310	0.789	20	30		BCEDMN
N#Cc1ccc(F)c(CNC(CO)CO)c1	ZINC000083695275	343657805	/nfs/dbraw/zinc/65/78/05/343657805.db2.gz	QZOLSUVWFBLACA-UHFFFAOYSA-N	0	1	224.235	0.140	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)[C@@H](C)CN1CCOCC1	ZINC000491628971	259368106	/nfs/dbraw/zinc/36/81/06/259368106.db2.gz	LVSRCYFZYQBPBM-RYUDHWBXSA-N	0	1	238.331	0.483	20	30		BCEDMN
C[C@@H](CC#N)NCCN1CCO[C@H](C)C1	ZINC000380115111	343680547	/nfs/dbraw/zinc/68/05/47/343680547.db2.gz	PHJFXUPVMCERPB-WDEREUQCSA-N	0	1	211.309	0.599	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@@H](O)C[C@@H]1C	ZINC000340920818	343719285	/nfs/dbraw/zinc/71/92/85/343719285.db2.gz	XGRQYIKCTUACDG-RYUDHWBXSA-N	0	1	238.331	0.642	20	30		BCEDMN
Cc1nnc(NCc2nn[nH]n2)c(C#N)c1C	ZINC000096470265	343744846	/nfs/dbraw/zinc/74/48/46/343744846.db2.gz	ITOCHTDPBGCHOO-UHFFFAOYSA-N	0	1	230.235	0.090	20	30		BCEDMN
C=CC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000625700865	344040468	/nfs/dbraw/zinc/04/04/68/344040468.db2.gz	FMKARKKSDRVZHF-SECBINFHSA-N	0	1	222.292	0.506	20	30		BCEDMN
C=CC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[n-]2)C1	ZINC000625700865	344040469	/nfs/dbraw/zinc/04/04/69/344040469.db2.gz	FMKARKKSDRVZHF-SECBINFHSA-N	0	1	222.292	0.506	20	30		BCEDMN
CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1	ZINC000334808633	343908933	/nfs/dbraw/zinc/90/89/33/343908933.db2.gz	RUHKYMSJRNXUTC-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000334808661	343909098	/nfs/dbraw/zinc/90/90/98/343909098.db2.gz	RZXHMMSXZGNDJC-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
C=CCC[C@H](O)Cn1cc(CNCC)nn1	ZINC000641212907	362274911	/nfs/dbraw/zinc/27/49/11/362274911.db2.gz	UECQHSZEDXUNDC-NSHDSACASA-N	0	1	224.308	0.715	20	30		BCEDMN
CNCc1cn(CC2(C#N)CCC2)nn1	ZINC000603256349	349900709	/nfs/dbraw/zinc/90/07/09/349900709.db2.gz	OVJPAESCHOJSJZ-UHFFFAOYSA-N	0	1	205.265	0.691	20	30		BCEDMN
C=CCN(C)C(=O)c1ccnc(CN)c1	ZINC000131126800	344228455	/nfs/dbraw/zinc/22/84/55/344228455.db2.gz	KOLBTMDUHKRQHK-UHFFFAOYSA-N	0	1	205.261	0.798	20	30		BCEDMN
N#CC1(C[C@H](O)CNCc2cc[nH]n2)CC1	ZINC000600719377	344362707	/nfs/dbraw/zinc/36/27/07/344362707.db2.gz	SKDJSPILYXTFSV-JTQLQIEISA-N	0	1	220.276	0.554	20	30		BCEDMN
N#CCC1CN(C[C@H](O)CC2(O)CCC2)C1	ZINC000600847161	344382896	/nfs/dbraw/zinc/38/28/96/344382896.db2.gz	WXJHIHNLIIYXNR-LLVKDONJSA-N	0	1	224.304	0.498	20	30		BCEDMN
N#CCC1CN(C[C@@H](O)CC2(O)CCC2)C1	ZINC000600847162	344382944	/nfs/dbraw/zinc/38/29/44/344382944.db2.gz	WXJHIHNLIIYXNR-NSHDSACASA-N	0	1	224.304	0.498	20	30		BCEDMN
C[C@@H](CNCCC#N)N1C[C@@H](C)O[C@@H](C)C1	ZINC000381449302	344506867	/nfs/dbraw/zinc/50/68/67/344506867.db2.gz	GXLWPYVWQIKYKM-SDDRHHMPSA-N	0	1	225.336	0.987	20	30		BCEDMN
N#Cc1ccc(CNC(CO)CO)s1	ZINC000135501966	344484985	/nfs/dbraw/zinc/48/49/85/344484985.db2.gz	LCFPOFBHDJJQMZ-UHFFFAOYSA-N	0	1	212.274	0.063	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@H]1CCCCN1C	ZINC000260232713	344745314	/nfs/dbraw/zinc/74/53/14/344745314.db2.gz	WTABSLYIHQTEPO-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@H]1CCCCN1C	ZINC000260232748	344745451	/nfs/dbraw/zinc/74/54/51/344745451.db2.gz	WTABSLYIHQTEPO-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC(C)OCCN1CCN(CCC#N)CC1	ZINC000074798540	344760159	/nfs/dbraw/zinc/76/01/59/344760159.db2.gz	LVBPCNUOBGREMC-UHFFFAOYSA-N	0	1	225.336	0.943	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC(O)(CC)CC1	ZINC000075859284	344785931	/nfs/dbraw/zinc/78/59/31/344785931.db2.gz	UYQADAUWVBZOTP-NSHDSACASA-N	0	1	240.347	0.914	20	30		BCEDMN
CCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000583381127	344856619	/nfs/dbraw/zinc/85/66/19/344856619.db2.gz	YXXFEHRDMSKABU-UHFFFAOYSA-N	0	1	207.233	0.598	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(OC)CC1	ZINC000042567606	344868318	/nfs/dbraw/zinc/86/83/18/344868318.db2.gz	AMWGCIWRIPICBZ-JTQLQIEISA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@H](CO)OC[C@H]1C	ZINC000153477526	344885323	/nfs/dbraw/zinc/88/53/23/344885323.db2.gz	DUJSWDPFERMVFC-IJLUTSLNSA-N	0	1	229.320	0.395	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)N1CCNC(C)(C)C1	ZINC000176380265	344983808	/nfs/dbraw/zinc/98/38/08/344983808.db2.gz	DNBGEBCHBZLDAR-UHFFFAOYSA-N	0	1	246.314	0.721	20	30		BCEDMN
CC(C)(C#N)CCCN1CCO[C@H](C(N)=O)C1	ZINC000174837033	534982015	/nfs/dbraw/zinc/98/20/15/534982015.db2.gz	RCVTZBXKTNLWNN-JTQLQIEISA-N	0	1	239.319	0.502	20	30		BCEDMN
CC1(C#N)CCN([C@H]2COC[C@H]2O)CC1	ZINC000361348233	345120067	/nfs/dbraw/zinc/12/00/67/345120067.db2.gz	IRYCKRZUTVIICT-VHSXEESVSA-N	0	1	210.277	0.372	20	30		BCEDMN
C=CCNC(=O)CN(C)CC(O)(CC)CC	ZINC000626109623	345252547	/nfs/dbraw/zinc/25/25/47/345252547.db2.gz	UUZQINNVDLEWDU-UHFFFAOYSA-N	0	1	228.336	0.772	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@H]1NCC1(C#N)CC1	ZINC000381335728	345380403	/nfs/dbraw/zinc/38/04/03/345380403.db2.gz	VPTSXJQUDWZCFA-NXEZZACHSA-N	0	1	221.304	0.794	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1cnn(C)c1	ZINC000134402917	345411261	/nfs/dbraw/zinc/41/12/61/345411261.db2.gz	KLKYLFKKNDARKO-VIFPVBQESA-N	0	1	222.292	0.373	20	30		BCEDMN
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CC1(CNC(=O)NCCN2CCC2)COC1	ZINC000328710280	537906156	/nfs/dbraw/zinc/90/61/56/537906156.db2.gz	MQXFQAMXUWFNMG-UHFFFAOYSA-N	0	1	227.308	0.232	20	30		BCEDMN
N#Cc1c(F)cccc1NCc1nn[nH]n1	ZINC000082681737	345681419	/nfs/dbraw/zinc/68/14/19/345681419.db2.gz	IPZKYTDUADWXKG-UHFFFAOYSA-N	0	1	218.195	0.823	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC000142362261	345705196	/nfs/dbraw/zinc/70/51/96/345705196.db2.gz	DUBHNGDHIYLCBA-SFYZADRCSA-N	0	1	226.276	0.992	20	30		BCEDMN
CC(C#N)C(=O)N[C@H](C)C(=O)OC(C)(C)C	ZINC000142362036	345705400	/nfs/dbraw/zinc/70/54/00/345705400.db2.gz	DUBHNGDHIYLCBA-HTQZYQBOSA-N	0	1	226.276	0.992	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1[nH]nc2c1CCC2	ZINC000274667655	166217572	/nfs/dbraw/zinc/21/75/72/166217572.db2.gz	IGVRFHYRNGBRTH-ZETCQYMHSA-N	0	1	203.245	0.650	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CCC)CC1	ZINC000049090851	345855959	/nfs/dbraw/zinc/85/59/59/345855959.db2.gz	MOVKALRTGCIUCB-UHFFFAOYSA-N	0	1	225.336	0.316	20	30		BCEDMN
N#CCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000585716983	345980954	/nfs/dbraw/zinc/98/09/54/345980954.db2.gz	QEYMEGGCASHRNG-GFCCVEGCSA-N	0	1	223.320	0.697	20	30		BCEDMN
CCN(CCC#N)C(=O)Cc1ncn[nH]1	ZINC000601009944	345997928	/nfs/dbraw/zinc/99/79/28/345997928.db2.gz	VCHGKJMRZAGKSX-UHFFFAOYSA-N	0	1	207.237	0.109	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)CCc1c[nH]nn1	ZINC000601011477	345998394	/nfs/dbraw/zinc/99/83/94/345998394.db2.gz	YCJYKFBIFNSBDA-QMMMGPOBSA-N	0	1	221.264	0.355	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)CCc1cnn[nH]1	ZINC000601011477	345998396	/nfs/dbraw/zinc/99/83/96/345998396.db2.gz	YCJYKFBIFNSBDA-QMMMGPOBSA-N	0	1	221.264	0.355	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)CCc1c[nH]nn1	ZINC000601025675	346000004	/nfs/dbraw/zinc/00/00/04/346000004.db2.gz	CYGFJANASMJYCG-UHFFFAOYSA-N	0	1	235.291	0.888	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)CCc1cnn[nH]1	ZINC000601025675	346000006	/nfs/dbraw/zinc/00/00/06/346000006.db2.gz	CYGFJANASMJYCG-UHFFFAOYSA-N	0	1	235.291	0.888	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601025468	346000019	/nfs/dbraw/zinc/00/00/19/346000019.db2.gz	CBLXOZDVFHPPON-ZETCQYMHSA-N	0	1	207.237	0.156	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H]1CCCCN1C	ZINC000635783223	346068177	/nfs/dbraw/zinc/06/81/77/346068177.db2.gz	DECPXYHGNPPUFI-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)Cc1nnc[nH]1	ZINC000601134959	346230219	/nfs/dbraw/zinc/23/02/19/346230219.db2.gz	OKWLGBAGECRLCG-ZETCQYMHSA-N	0	1	207.237	0.012	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N1CCN(C)C(C)(C)C1	ZINC000603430422	349952717	/nfs/dbraw/zinc/95/27/17/349952717.db2.gz	HQYFJJXOEAFEHV-SNVBAGLBSA-N	0	1	238.335	0.882	20	30		BCEDMN
C[C@H](Sc1c[nH]nn1)C(=O)N(C)CCC#N	ZINC000156022321	346358420	/nfs/dbraw/zinc/35/84/20/346358420.db2.gz	JVCKFHPXXMOKPF-ZETCQYMHSA-N	0	1	239.304	0.657	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc(C)nc1	ZINC000641769676	362703948	/nfs/dbraw/zinc/70/39/48/362703948.db2.gz	XVEGGCYPQYYNLY-LBPRGKRZSA-N	0	1	219.288	0.649	20	30		BCEDMN
N#Cc1ccccc1OCCn1nnnc1CN	ZINC000580070671	346507417	/nfs/dbraw/zinc/50/74/17/346507417.db2.gz	SHAFQGAQDVDXSD-UHFFFAOYSA-N	0	1	244.258	0.082	20	30		BCEDMN
C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2nnc[nH]2)C1	ZINC000601189311	346611758	/nfs/dbraw/zinc/61/17/58/346611758.db2.gz	HMQOZSQAOCPSRB-JOYOIKCWSA-N	0	1	247.302	0.936	20	30		BCEDMN
CC[N@H+]1CCN(c2ccc(C#N)nn2)[C@H](C)C1	ZINC000588069017	346632342	/nfs/dbraw/zinc/63/23/42/346632342.db2.gz	ZBNNXYXXQRURSL-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
CCN1CCN(c2ccc(C#N)nn2)[C@H](C)C1	ZINC000588069017	346632344	/nfs/dbraw/zinc/63/23/44/346632344.db2.gz	ZBNNXYXXQRURSL-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1CN(C)CCN1c1cncc(C#N)n1	ZINC000401350624	346635692	/nfs/dbraw/zinc/63/56/92/346635692.db2.gz	XIBNHIWBGSWYGQ-VIFPVBQESA-N	0	1	217.276	0.489	20	30		BCEDMN
CCc1nc(C#N)cc(N2CC[N@H+]3CC[C@H]2C3)n1	ZINC000308159263	346708667	/nfs/dbraw/zinc/70/86/67/346708667.db2.gz	CUGTWBGCLSPZTP-NSHDSACASA-N	0	1	243.314	0.805	20	30		BCEDMN
N#CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000577169336	365851635	/nfs/dbraw/zinc/85/16/35/365851635.db2.gz	RSBIZEPALJWZHI-UHFFFAOYSA-N	0	1	235.203	0.351	20	30		BCEDMN
C[N@@H+](CCOCCC#N)C[C@H](O)C1CC1	ZINC000590161199	346784341	/nfs/dbraw/zinc/78/43/41/346784341.db2.gz	HSWIJKVEESTKNS-NSHDSACASA-N	0	1	212.293	0.619	20	30		BCEDMN
C[C@@H]1CC(=O)NCCN1CCOCCC#N	ZINC000590169359	346787130	/nfs/dbraw/zinc/78/71/30/346787130.db2.gz	XPQMHXJPEXJZAU-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CCOCCN1CCN(CCC#N)CC1	ZINC000590168798	346787413	/nfs/dbraw/zinc/78/74/13/346787413.db2.gz	HNPZJFAHFSCWDH-UHFFFAOYSA-N	0	1	223.320	0.720	20	30		BCEDMN
C=CCCN(C)CC(=O)NCCC(=O)OC	ZINC000276408231	166256672	/nfs/dbraw/zinc/25/66/72/166256672.db2.gz	LHPUUVHDNNLILE-UHFFFAOYSA-N	0	1	228.292	0.174	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000601368085	347272261	/nfs/dbraw/zinc/27/22/61/347272261.db2.gz	JWHYRSFLLHBQLF-SECBINFHSA-N	0	1	247.302	0.888	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000601368085	347272263	/nfs/dbraw/zinc/27/22/63/347272263.db2.gz	JWHYRSFLLHBQLF-SECBINFHSA-N	0	1	247.302	0.888	20	30		BCEDMN
C[NH2+]CC(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000082276260	347325739	/nfs/dbraw/zinc/32/57/39/347325739.db2.gz	IOMUHMOTTJINLL-UHFFFAOYSA-N	0	1	223.158	0.631	20	30		BCEDMN
CN(CC(C)(C)C#N)S(=O)(=O)c1ncc[nH]1	ZINC000601422646	347340629	/nfs/dbraw/zinc/34/06/29/347340629.db2.gz	VUEOPMBZKNYPAM-UHFFFAOYSA-N	0	1	242.304	0.580	20	30		BCEDMN
CC(C)(C(=O)N1CC(C#N)C1)c1c[nH]cn1	ZINC000590481562	347350525	/nfs/dbraw/zinc/35/05/25/347350525.db2.gz	FFTFHUOQYYXOTO-UHFFFAOYSA-N	0	1	218.260	0.669	20	30		BCEDMN
CCN([C@@H](C)C#N)S(=O)(=O)c1ncc[nH]1	ZINC000601469160	347392206	/nfs/dbraw/zinc/39/22/06/347392206.db2.gz	ZWKWCZGBDDORQK-ZETCQYMHSA-N	0	1	228.277	0.332	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@H](O)C(C)(C)C1	ZINC000380103418	365880847	/nfs/dbraw/zinc/88/08/47/365880847.db2.gz	XWPUHCGAKPWGPE-QWRGUYRKSA-N	0	1	238.331	0.217	20	30		BCEDMN
N#CCCN(CCc1c[nH]nn1)CC1CC1	ZINC000590602946	347475972	/nfs/dbraw/zinc/47/59/72/347475972.db2.gz	JISKLDJHJIGMRQ-UHFFFAOYSA-N	0	1	219.292	0.973	20	30		BCEDMN
CCO[C@@H]1COC[C@H]1NCc1ccnc(C#N)c1	ZINC000590763596	347529489	/nfs/dbraw/zinc/52/94/89/347529489.db2.gz	LRDTVQCGMRXLCL-CHWSQXEVSA-N	0	1	247.298	0.847	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)C#N	ZINC000590936357	347592890	/nfs/dbraw/zinc/59/28/90/347592890.db2.gz	XPLLMQPDPQKPGQ-GHMZBOCLSA-N	0	1	238.335	0.882	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)C1CC1	ZINC000194178283	259397143	/nfs/dbraw/zinc/39/71/43/259397143.db2.gz	YPNCPGXPYHKGAT-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
C[C@@H](C(=O)NCC1(C#N)CCC1)N(C)C	ZINC000591323057	347638632	/nfs/dbraw/zinc/63/86/32/347638632.db2.gz	WUVKGODHBWTZHW-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
COCCOC[C@H](O)CNCC(C)(C)C#N	ZINC000591759683	347692625	/nfs/dbraw/zinc/69/26/25/347692625.db2.gz	TXLSBSLRSZQHTH-SNVBAGLBSA-N	0	1	230.308	0.150	20	30		BCEDMN
CC(C)(CC(N)=O)NCc1ccncc1C#N	ZINC000592102946	347734163	/nfs/dbraw/zinc/73/41/63/347734163.db2.gz	JNQCFBCDGBWBDX-UHFFFAOYSA-N	0	1	232.287	0.697	20	30		BCEDMN
CCOC(=O)CC[N@H+]1CC[C@@](O)(CC#N)C1	ZINC000592148297	347740613	/nfs/dbraw/zinc/74/06/13/347740613.db2.gz	TZMQQSPKEIVBPL-NSHDSACASA-N	0	1	226.276	0.290	20	30		BCEDMN
CCOC(=O)CCN1CC[C@@](O)(CC#N)C1	ZINC000592148297	347740616	/nfs/dbraw/zinc/74/06/16/347740616.db2.gz	TZMQQSPKEIVBPL-NSHDSACASA-N	0	1	226.276	0.290	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@@](O)(CC#N)C1	ZINC000592150612	347741427	/nfs/dbraw/zinc/74/14/27/347741427.db2.gz	FBUOESLIQKJQQT-QWRGUYRKSA-N	0	1	210.277	0.274	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCn2cccn2)C1	ZINC000592150290	347741859	/nfs/dbraw/zinc/74/18/59/347741859.db2.gz	DJXYOHXHVSBYOK-NSHDSACASA-N	0	1	220.276	0.234	20	30		BCEDMN
C[C@H](CCC#N)N[C@H](CO)c1ccnn1C	ZINC000593033097	347842339	/nfs/dbraw/zinc/84/23/39/347842339.db2.gz	ILHZGXZKDOZNIY-NXEZZACHSA-N	0	1	222.292	0.735	20	30		BCEDMN
N#CCCCCN1C[C@@H]2C[C@H]1C[S@]2=O	ZINC000593098128	347855135	/nfs/dbraw/zinc/85/51/35/347855135.db2.gz	VZITXQJCKNDNFX-PKFCDNJMSA-N	0	1	212.318	0.885	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000593475883	347895906	/nfs/dbraw/zinc/89/59/06/347895906.db2.gz	OCKAPBRBKBPKQQ-QMMMGPOBSA-N	0	1	248.290	0.635	20	30		BCEDMN
CCC[C@H](NC(=O)[C@@H](C#N)CC)c1nn[nH]n1	ZINC000593510958	347902216	/nfs/dbraw/zinc/90/22/16/347902216.db2.gz	ZWNVNRJHCCRMGQ-SFYZADRCSA-N	0	1	236.279	0.707	20	30		BCEDMN
C[C@@H]1C[C@]1(C#N)C(=O)NCCCc1nc[nH]n1	ZINC000577383430	365940219	/nfs/dbraw/zinc/94/02/19/365940219.db2.gz	WJEKUEVIZIBCIX-LDYMZIIASA-N	0	1	233.275	0.403	20	30		BCEDMN
COC(=O)[C@H](CCF)NC(=O)C(C)C#N	ZINC000593800731	347948578	/nfs/dbraw/zinc/94/85/78/347948578.db2.gz	IVIQQOUIUYXZHT-BQBZGAKWSA-N	0	1	216.212	0.163	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN1CC[C@@H](C)C1	ZINC000594259831	348027789	/nfs/dbraw/zinc/02/77/89/348027789.db2.gz	KSOQUNJOSRZROJ-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCOC(=O)CN(C(=O)C(C)C#N)C(C)C	ZINC000044827107	348023627	/nfs/dbraw/zinc/02/36/27/348023627.db2.gz	HQZVGRJMSLLMCG-SECBINFHSA-N	0	1	226.276	0.946	20	30		BCEDMN
N#CCC1CN(C[C@@H](O)Cn2cccn2)C1	ZINC000594715938	348105446	/nfs/dbraw/zinc/10/54/46/348105446.db2.gz	DRUSEKSNYNJDTN-LLVKDONJSA-N	0	1	220.276	0.089	20	30		BCEDMN
CN1CCN(Cc2cn(CCCC#N)nn2)CC1	ZINC000594650067	348088975	/nfs/dbraw/zinc/08/89/75/348088975.db2.gz	PWOJUXXRAIKDHN-UHFFFAOYSA-N	0	1	248.334	0.329	20	30		BCEDMN
C[C@H](C#N)CN(C[C@H]1CNC(=O)C1)C1CC1	ZINC000595390023	348243186	/nfs/dbraw/zinc/24/31/86/348243186.db2.gz	SLORVCBXWFHFSE-NXEZZACHSA-N	0	1	221.304	0.747	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C[C@@H]2CNC(=O)C2)C1	ZINC000595423656	348246333	/nfs/dbraw/zinc/24/63/33/348246333.db2.gz	GCWUALNKWKYHBA-JQWIXIFHSA-N	0	1	221.304	0.748	20	30		BCEDMN
C[C@]1(C#N)CCCN(CCc2c[nH]nn2)C1	ZINC000595428533	348247501	/nfs/dbraw/zinc/24/75/01/348247501.db2.gz	YMPTWMGPIKOOIO-LLVKDONJSA-N	0	1	219.292	0.973	20	30		BCEDMN
CC(C)(NCC(N)=O)c1cccc(C#N)c1	ZINC000595635451	348302729	/nfs/dbraw/zinc/30/27/29/348302729.db2.gz	KZLYUCXXIVMXOV-UHFFFAOYSA-N	0	1	217.272	0.868	20	30		BCEDMN
C[C@@H](CC#N)N(C)S(=O)(=O)c1ncc[nH]1	ZINC000309093783	349984345	/nfs/dbraw/zinc/98/43/45/349984345.db2.gz	BZARNYHSIOORPN-ZETCQYMHSA-N	0	1	228.277	0.332	20	30		BCEDMN
C[C@@]1(C#N)CCN(CCCN2CCOCC2)C1	ZINC000595837115	348370758	/nfs/dbraw/zinc/37/07/58/348370758.db2.gz	DJULOAPAPWZTBS-ZDUSSCGKSA-N	0	1	237.347	0.944	20	30		BCEDMN
C[C@]1(C#N)CCN(C[C@]2(O)CCCOC2)C1	ZINC000595842129	348376890	/nfs/dbraw/zinc/37/68/90/348376890.db2.gz	PREDTKOAGIFYJP-VXGBXAGGSA-N	0	1	224.304	0.763	20	30		BCEDMN
COCC#CCN(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000595849418	348356317	/nfs/dbraw/zinc/35/63/17/348356317.db2.gz	KUIVADASATUOLR-PHIMTYICSA-N	0	1	225.288	0.520	20	30		BCEDMN
CN(C)C(=O)N(C)[C@H]1CCN(CCCC#N)C1	ZINC000595822999	348364299	/nfs/dbraw/zinc/36/42/99/348364299.db2.gz	BYPNZLFHLVAUFA-NSHDSACASA-N	0	1	238.335	0.978	20	30		BCEDMN
CCCN1CCN(c2c(C#N)cnn2C)CC1	ZINC000596054119	348434196	/nfs/dbraw/zinc/43/41/96/348434196.db2.gz	MCUYEOMFSYJGEU-UHFFFAOYSA-N	0	1	233.319	0.824	20	30		BCEDMN
COC(=O)[C@H]1C[C@H](NC[C@H](C#N)CCC#N)C1	ZINC000596067628	348436874	/nfs/dbraw/zinc/43/68/74/348436874.db2.gz	OQNBFBGBBCQZDY-DCAQKATOSA-N	0	1	235.287	0.971	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1c[nH]c(C#N)c1	ZINC000596463893	348543864	/nfs/dbraw/zinc/54/38/64/348543864.db2.gz	ATZJXUCNZIEQBK-UHFFFAOYSA-N	0	1	232.287	0.520	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597041970	348648919	/nfs/dbraw/zinc/64/89/19/348648919.db2.gz	RXUDAMNZWUWUKE-JTQLQIEISA-N	0	1	221.264	0.464	20	30		BCEDMN
CS(=O)(=O)CCCN[C@H]1CCC[C@H]1C#N	ZINC000054825924	348665445	/nfs/dbraw/zinc/66/54/45/348665445.db2.gz	MVNPBILSMASSJT-UWVGGRQHSA-N	0	1	230.333	0.703	20	30		BCEDMN
CN(CCC#N)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000596910385	348632216	/nfs/dbraw/zinc/63/22/16/348632216.db2.gz	LPCUCJKFKUVQGH-SECBINFHSA-N	0	1	232.287	0.887	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597189522	348685774	/nfs/dbraw/zinc/68/57/74/348685774.db2.gz	WNXDUYMERGMWMY-SCZZXKLOSA-N	0	1	247.302	0.889	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000597425623	348739824	/nfs/dbraw/zinc/73/98/24/348739824.db2.gz	GOOJEUQACAPDGT-DTWKUNHWSA-N	0	1	248.290	0.455	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C1	ZINC000597604983	348768331	/nfs/dbraw/zinc/76/83/31/348768331.db2.gz	SFEIEQPZRAGHQO-VIFPVBQESA-N	0	1	244.298	0.887	20	30		BCEDMN
CN(C)C1(C(=O)NCC(C)(C)C#N)CC1	ZINC000597490255	348749972	/nfs/dbraw/zinc/74/99/72/348749972.db2.gz	VAAPIBPBVOHCGZ-UHFFFAOYSA-N	0	1	209.293	0.747	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)C(C)(C)C#N	ZINC000598163310	348897322	/nfs/dbraw/zinc/89/73/22/348897322.db2.gz	NBXHDAWUDRKQGP-UHFFFAOYSA-N	0	1	209.293	0.556	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN(C)C[C@H](C)O	ZINC000051822119	348985430	/nfs/dbraw/zinc/98/54/30/348985430.db2.gz	QKGZGHOZZMGGQS-NSHDSACASA-N	0	1	228.336	0.724	20	30		BCEDMN
CN(C[C@H](O)CC(C)(C)C#N)[C@@H]1CCNC1=O	ZINC000598598196	348999566	/nfs/dbraw/zinc/99/95/66/348999566.db2.gz	BLAFRXGSKQDEDO-NXEZZACHSA-N	0	1	239.319	0.107	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1C[C@H](F)C[C@@H]1CO	ZINC000598608597	349007268	/nfs/dbraw/zinc/00/72/68/349007268.db2.gz	UVUSPXXNSIAOIQ-MXWKQRLJSA-N	0	1	244.310	0.692	20	30		BCEDMN
CC1(C)CC[C@@H](CO)N(CC(=O)NCC#N)C1	ZINC000598647510	349011212	/nfs/dbraw/zinc/01/12/12/349011212.db2.gz	NFLVWQRSGICKGP-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
Cc1ccc(C#N)c(NCCN2CC[C@H](O)C2)n1	ZINC000599199602	349116545	/nfs/dbraw/zinc/11/65/45/349116545.db2.gz	MUZISZAYLRYOEA-LBPRGKRZSA-N	0	1	246.314	0.740	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@H](O)CC1(O)CCC1	ZINC000599437565	349176894	/nfs/dbraw/zinc/17/68/94/349176894.db2.gz	OVQOWVDQKGJGFN-WDEREUQCSA-N	0	1	226.320	0.934	20	30		BCEDMN
CC[C@H](CC#N)NCCc1cn(C)nn1	ZINC000599438792	349177601	/nfs/dbraw/zinc/17/76/01/349177601.db2.gz	XSLMFKSAVVDLKY-SECBINFHSA-N	0	1	207.281	0.639	20	30		BCEDMN
Cc1ccc(CNC2(C(N)=O)CC2)cc1C#N	ZINC000599366402	349160661	/nfs/dbraw/zinc/16/06/61/349160661.db2.gz	PNXBPQTXPIYKDQ-UHFFFAOYSA-N	0	1	229.283	0.974	20	30		BCEDMN
Cc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1C#N	ZINC000599531608	349210534	/nfs/dbraw/zinc/21/05/34/349210534.db2.gz	GNEUNLCJWJLIDE-STQMWFEESA-N	0	1	232.283	0.404	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C1CC1)C1CC1	ZINC000599593649	349222634	/nfs/dbraw/zinc/22/26/34/349222634.db2.gz	GJBGWQCBLKXCJJ-UHFFFAOYSA-N	0	1	237.303	0.625	20	30		BCEDMN
CN(CC1(C#N)CC1)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599643691	349239608	/nfs/dbraw/zinc/23/96/08/349239608.db2.gz	DJGJDTACDGJUCF-DTORHVGOSA-N	0	1	207.277	0.486	20	30		BCEDMN
N#CC1CCC(CNC(=O)Cc2nnc[nH]2)CC1	ZINC000601553136	349301677	/nfs/dbraw/zinc/30/16/77/349301677.db2.gz	YWANWKZEMXAAJR-UHFFFAOYSA-N	0	1	247.302	0.793	20	30		BCEDMN
CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCC[C@H]1C#N	ZINC000601803710	349358113	/nfs/dbraw/zinc/35/81/13/349358113.db2.gz	ZUFPHXMCFSPWDX-DTWKUNHWSA-N	0	1	233.275	0.498	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000601786539	349343832	/nfs/dbraw/zinc/34/38/32/349343832.db2.gz	RKLDZUHFHLGJLR-IUCAKERBSA-N	0	1	224.260	0.770	20	30		BCEDMN
C=C(C)C[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000601786537	349344010	/nfs/dbraw/zinc/34/40/10/349344010.db2.gz	RKLDZUHFHLGJLR-DTWKUNHWSA-N	0	1	224.260	0.770	20	30		BCEDMN
C=CCN(CCC#N)C(=O)CCc1nn[nH]n1	ZINC000601589001	349303866	/nfs/dbraw/zinc/30/38/66/349303866.db2.gz	CCCUSICKGILYEM-UHFFFAOYSA-N	0	1	234.263	0.061	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)CCc1nn[nH]n1	ZINC000601600101	349310013	/nfs/dbraw/zinc/31/00/13/349310013.db2.gz	ACVKCKQROPYUNY-UHFFFAOYSA-N	0	1	236.279	0.140	20	30		BCEDMN
CC(=O)N[C@H]1C(C)=NN([C@H](C)CC#N)C1=O	ZINC000601934744	349388822	/nfs/dbraw/zinc/38/88/22/349388822.db2.gz	DVXSMNAPIHLWBU-MUWHJKNJSA-N	0	1	222.248	0.011	20	30		BCEDMN
CC[C@@H](O)Cn1[nH]c(C)c(CCC#N)c1=O	ZINC000601946232	349394839	/nfs/dbraw/zinc/39/48/39/349394839.db2.gz	OYLWOWFFMMLIDJ-ZJUUUORDSA-N	0	1	223.276	0.895	20	30		BCEDMN
N#CCC1CN(C[C@H](O)CC2(C#N)CC2)C1	ZINC000601961387	349401628	/nfs/dbraw/zinc/40/16/28/349401628.db2.gz	XANMSIURJHTZHG-LLVKDONJSA-N	0	1	219.288	0.887	20	30		BCEDMN
N#CCC1CN(C[C@@H](O)CC2(C#N)CC2)C1	ZINC000601961388	349401662	/nfs/dbraw/zinc/40/16/62/349401662.db2.gz	XANMSIURJHTZHG-NSHDSACASA-N	0	1	219.288	0.887	20	30		BCEDMN
C[C@@](O)(C[C@@H](O)CNCC1(C#N)CC1)C1CC1	ZINC000601967646	349404385	/nfs/dbraw/zinc/40/43/85/349404385.db2.gz	VRQDTVLXQAQSEY-VXGBXAGGSA-N	0	1	238.331	0.792	20	30		BCEDMN
COC(=O)Cc1c[nH]n(C[C@@H](C)C#N)c1=O	ZINC000601932621	349385976	/nfs/dbraw/zinc/38/59/76/349385976.db2.gz	LGMINKJSJKXGJM-JGVFFNPUSA-N	0	1	223.232	0.153	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)CCCc1nn[nH]n1	ZINC000602084114	349432724	/nfs/dbraw/zinc/43/27/24/349432724.db2.gz	QFVASOTZMVSABF-MRVPVSSYSA-N	0	1	236.279	0.140	20	30		BCEDMN
N#CC1(C(=O)NCc2nnc[nH]2)CCCCC1	ZINC000070215209	191003077	/nfs/dbraw/zinc/00/30/77/191003077.db2.gz	QFXCTPYTKIMHBB-UHFFFAOYSA-N	0	1	233.275	0.895	20	30		BCEDMN
CC[C@@H](CC#N)NS(=O)(=O)c1ncc[nH]1	ZINC000309159822	350108931	/nfs/dbraw/zinc/10/89/31/350108931.db2.gz	YMYWKIPEIWZECO-ZETCQYMHSA-N	0	1	228.277	0.380	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@H]1CCCN1C	ZINC000132070520	191024515	/nfs/dbraw/zinc/02/45/15/191024515.db2.gz	TWBMOPMBPVIAPR-NXEZZACHSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=CCN1CC[C@H](N2CCCOCC2)C1=O	ZINC000334816503	538076825	/nfs/dbraw/zinc/07/68/25/538076825.db2.gz	PXJYCEUKDYEJNW-NSHDSACASA-N	0	1	224.304	0.496	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H]2C[C@H](OC)CN2C)CC1	ZINC000334809471	538076975	/nfs/dbraw/zinc/07/69/75/538076975.db2.gz	DSTPCXPWHUAAKF-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=C(C)CCNC(=O)NCCN1CC[C@H](O)C1	ZINC000637189247	350247195	/nfs/dbraw/zinc/24/71/95/350247195.db2.gz	GTITVXOJRWNADK-NSHDSACASA-N	0	1	241.335	0.318	20	30		BCEDMN
C[C@@H]1C[C@H]1C(=O)NC1(C#N)CCN(C)CC1	ZINC000040221873	350358894	/nfs/dbraw/zinc/35/88/94/350358894.db2.gz	DZOCYAYMVYAYRZ-NXEZZACHSA-N	0	1	221.304	0.747	20	30		BCEDMN
CC#CCN1CCC[C@H](CS(N)(=O)=O)C1	ZINC000336645925	350415789	/nfs/dbraw/zinc/41/57/89/350415789.db2.gz	JIULCQJXRSINGG-JTQLQIEISA-N	0	1	230.333	0.010	20	30		BCEDMN
CC#CCN1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000336645933	350416058	/nfs/dbraw/zinc/41/60/58/350416058.db2.gz	JIULCQJXRSINGG-SNVBAGLBSA-N	0	1	230.333	0.010	20	30		BCEDMN
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CCCc1cc(C(=O)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000106049659	350700933	/nfs/dbraw/zinc/70/09/33/350700933.db2.gz	AERSJLMVGDZVEK-SNVBAGLBSA-N	0	1	248.286	0.727	20	30		BCEDMN
CC#CC[N@@H+](C)[C@@H](C)CN1CCOCC1	ZINC000339750331	350817652	/nfs/dbraw/zinc/81/76/52/350817652.db2.gz	CKWBTJSSKNFICD-LBPRGKRZSA-N	0	1	210.321	0.662	20	30		BCEDMN
CC#CC[N@@H+](C)[C@H](C)CN1CCOCC1	ZINC000339750329	350818043	/nfs/dbraw/zinc/81/80/43/350818043.db2.gz	CKWBTJSSKNFICD-GFCCVEGCSA-N	0	1	210.321	0.662	20	30		BCEDMN
C[C@H](NCc1ccc(C#N)o1)[C@H]1CN(C)CCO1	ZINC000129102655	350986902	/nfs/dbraw/zinc/98/69/02/350986902.db2.gz	SKGYOXUORBLTKT-GXFFZTMASA-N	0	1	249.314	0.960	20	30		BCEDMN
CN1CC[C@@H](N2CCC[C@H](CC#N)C2)C1=O	ZINC000397600230	350957303	/nfs/dbraw/zinc/95/73/03/350957303.db2.gz	LQHASOFCEMALGT-GHMZBOCLSA-N	0	1	221.304	0.843	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCN(CC)CC1	ZINC000052635033	351062693	/nfs/dbraw/zinc/06/26/93/351062693.db2.gz	MORQKNSMOLPNIX-NSHDSACASA-N	0	1	225.336	0.315	20	30		BCEDMN
C=CC1CCN(CCNS(C)(=O)=O)CC1	ZINC000111257363	191130361	/nfs/dbraw/zinc/13/03/61/191130361.db2.gz	TWJYCNOTKUOCPP-UHFFFAOYSA-N	0	1	232.349	0.434	20	30		BCEDMN
C[C@@](O)(CO)CNCc1ccc(C#N)cc1F	ZINC000090288084	363031390	/nfs/dbraw/zinc/03/13/90/363031390.db2.gz	KFVYZQUZLUDZTE-LBPRGKRZSA-N	0	1	238.262	0.530	20	30		BCEDMN
Cc1nnc(SCC(=O)NCCCC#N)[nH]1	ZINC000273076219	351508825	/nfs/dbraw/zinc/50/88/25/351508825.db2.gz	BLEZAWUKONKNTH-UHFFFAOYSA-N	0	1	239.304	0.625	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)NCCCC#N)n1	ZINC000273076219	351508828	/nfs/dbraw/zinc/50/88/28/351508828.db2.gz	BLEZAWUKONKNTH-UHFFFAOYSA-N	0	1	239.304	0.625	20	30		BCEDMN
N#CCCCNC(=O)c1ccc2[nH]nnc2c1	ZINC000273144446	351509710	/nfs/dbraw/zinc/50/97/10/351509710.db2.gz	ZFFSPCCIEMERFO-UHFFFAOYSA-N	0	1	229.243	0.991	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000281420881	351891281	/nfs/dbraw/zinc/89/12/81/351891281.db2.gz	BSRFFMPKKCEDKJ-JTQLQIEISA-N	0	1	242.282	0.815	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cc(CC)[nH]n1	ZINC000281869014	351913271	/nfs/dbraw/zinc/91/32/71/351913271.db2.gz	BZONZFHRIZFIGC-UHFFFAOYSA-N	0	1	216.244	0.571	20	30		BCEDMN
C=C1CCN(C(=O)[C@@]2(C)CNCCO2)CC1	ZINC000638380879	352191102	/nfs/dbraw/zinc/19/11/02/352191102.db2.gz	GWRPOAGPXQNOEI-GFCCVEGCSA-N	0	1	224.304	0.544	20	30		BCEDMN
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CN(CCC#N)C(=O)CN(C)[C@@H]1CCSC1	ZINC000037174841	358468979	/nfs/dbraw/zinc/46/89/79/358468979.db2.gz	ACLBJCVUSVVMBX-SNVBAGLBSA-N	0	1	241.360	0.796	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)C[C@H]2COCCN2)C1	ZINC000638471297	352281446	/nfs/dbraw/zinc/28/14/46/352281446.db2.gz	AXBPLTDKMIEPSU-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1	ZINC000638621352	352460941	/nfs/dbraw/zinc/46/09/41/352460941.db2.gz	WGZUALXKBNCNGA-GHMZBOCLSA-N	0	1	242.319	0.072	20	30		BCEDMN
C=CCC[C@@H](O)CN[C@H](C)c1nncn1C	ZINC000336744259	352697160	/nfs/dbraw/zinc/69/71/60/352697160.db2.gz	PZRBURLMHYPCJC-NXEZZACHSA-N	0	1	224.308	0.793	20	30		BCEDMN
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CC#CCN[C@@H](Cc1ccccc1)C(N)=O	ZINC000273395481	188090091	/nfs/dbraw/zinc/09/00/91/188090091.db2.gz	JDSYJQBEBPJRFE-LBPRGKRZSA-N	0	1	216.284	0.696	20	30		BCEDMN
C=C1CCN(CCN2C(=O)CNC2=O)CC1	ZINC000264472915	188087778	/nfs/dbraw/zinc/08/77/78/188087778.db2.gz	OAYMTXDLDAHSOR-UHFFFAOYSA-N	0	1	223.276	0.190	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)Cc1ccn[nH]1	ZINC000330886858	353192057	/nfs/dbraw/zinc/19/20/57/353192057.db2.gz	GUVQMHLJFAXFSW-MRVPVSSYSA-N	0	1	206.249	0.713	20	30		BCEDMN
CC(C)N1CCO[C@@H](C(=O)NCCCC#N)C1	ZINC000368576319	535207484	/nfs/dbraw/zinc/20/74/84/535207484.db2.gz	QRKSBOKAEFIUEB-LLVKDONJSA-N	0	1	239.319	0.516	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)N=NC2C1	ZINC000331067544	353215152	/nfs/dbraw/zinc/21/51/52/353215152.db2.gz	RMCVZAXQDUFJTC-VIFPVBQESA-N	0	1	238.291	0.126	20	30		BCEDMN
CCOC(=O)CCN1CC[C@@H](NC(=O)NC)C1	ZINC000330960820	353204795	/nfs/dbraw/zinc/20/47/95/353204795.db2.gz	XVGVBGLJBYXNKJ-SECBINFHSA-N	0	1	243.307	0.147	20	30		BCEDMN
CC(C)n1ncnc1CNC(=O)c1cnn[nH]1	ZINC000331254753	353237922	/nfs/dbraw/zinc/23/79/22/353237922.db2.gz	UIXDNIYETCOUIH-UHFFFAOYSA-N	0	1	235.251	0.482	20	30		BCEDMN
CC(C)CNC(=O)N(C)Cc1nnc[nH]1	ZINC000331230708	353226132	/nfs/dbraw/zinc/22/61/32/353226132.db2.gz	HNEOVPAVLVVMCC-UHFFFAOYSA-N	0	1	211.269	0.807	20	30		BCEDMN
CN(CCN1CCCC1)S(=O)(=O)CCC#N	ZINC000331347644	353245028	/nfs/dbraw/zinc/24/50/28/353245028.db2.gz	WTKBCFGUHHSOQJ-UHFFFAOYSA-N	0	1	245.348	0.257	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000126226556	353248118	/nfs/dbraw/zinc/24/81/18/353248118.db2.gz	XEHZFBFAKAFFMF-VHSXEESVSA-N	0	1	241.360	0.842	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1cc(C)[nH]n1	ZINC000075392334	353321531	/nfs/dbraw/zinc/32/15/31/353321531.db2.gz	YMSAOTCSPFRBLH-UHFFFAOYSA-N	0	1	201.229	0.427	20	30		BCEDMN
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C=CCNC(=O)CN[C@H](C)c1cnn(C)c1	ZINC000134402937	353494693	/nfs/dbraw/zinc/49/46/93/353494693.db2.gz	KLKYLFKKNDARKO-SECBINFHSA-N	0	1	222.292	0.373	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H]1CCCN1C)C(C)C	ZINC000282196048	353465704	/nfs/dbraw/zinc/46/57/04/353465704.db2.gz	SNSWBKYGICNMNK-MNOVXSKESA-N	0	1	208.305	0.855	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@H](C)CO)C1=O	ZINC000284910729	353517620	/nfs/dbraw/zinc/51/76/20/353517620.db2.gz	VGSOXLLRVULFDF-ZJUUUORDSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@H](O)C1	ZINC000061707757	353523785	/nfs/dbraw/zinc/52/37/85/353523785.db2.gz	DGXTUHPHBJGYQV-NSHDSACASA-N	0	1	224.304	0.254	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1cnn(C)c1C	ZINC000183354361	353541388	/nfs/dbraw/zinc/54/13/88/353541388.db2.gz	GARRJXBLBUGYCS-NXEZZACHSA-N	0	1	248.330	0.517	20	30		BCEDMN
C=CCNC(=O)CN(CCOCCO)C(C)C	ZINC000283804052	353503065	/nfs/dbraw/zinc/50/30/65/353503065.db2.gz	WEKSZEFQZATKER-UHFFFAOYSA-N	0	1	244.335	0.008	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)NCc1cn[nH]c1C	ZINC000184395741	353652912	/nfs/dbraw/zinc/65/29/12/353652912.db2.gz	QVJPCOPRYXSCGL-SNVBAGLBSA-N	0	1	238.291	0.454	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1CC	ZINC000290686051	353668255	/nfs/dbraw/zinc/66/82/55/353668255.db2.gz	ULFUNPLZMGQSFY-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000290686051	353668257	/nfs/dbraw/zinc/66/82/57/353668257.db2.gz	ULFUNPLZMGQSFY-QWRGUYRKSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCO[C@@H]1C(=C)C	ZINC000291165389	353681368	/nfs/dbraw/zinc/68/13/68/353681368.db2.gz	CXNRXYBMVWYKSY-NXEZZACHSA-N	0	1	209.245	0.649	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](C)[C@H]1C	ZINC000292904169	353728454	/nfs/dbraw/zinc/72/84/54/353728454.db2.gz	WHOJMDWICGYQID-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000293482841	353751182	/nfs/dbraw/zinc/75/11/82/353751182.db2.gz	SAADAYNICWRUMK-PHIMTYICSA-N	0	1	225.336	0.313	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CC)[C@@H](C)CO	ZINC000293516641	353752053	/nfs/dbraw/zinc/75/20/53/353752053.db2.gz	VRKBJFQMQVCRBD-LBPRGKRZSA-N	0	1	240.347	0.890	20	30		BCEDMN
C#C[C@H](NC(=O)N[C@@H](C)c1nnc[nH]1)C(C)C	ZINC000294196527	353771140	/nfs/dbraw/zinc/77/11/40/353771140.db2.gz	KXUODNUQXHBVHD-IUCAKERBSA-N	0	1	235.291	0.823	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(CF)CC1	ZINC000295166638	353798862	/nfs/dbraw/zinc/79/88/62/353798862.db2.gz	PLAPXNZGVADBJH-SNVBAGLBSA-N	0	1	226.295	0.806	20	30		BCEDMN
C#CCONC(=O)[C@H]1CCCC[C@@H]1OC	ZINC000295887559	353813564	/nfs/dbraw/zinc/81/35/64/353813564.db2.gz	CLFFQFVMQZSAPJ-UWVGGRQHSA-N	0	1	211.261	0.873	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000294928682	353793680	/nfs/dbraw/zinc/79/36/80/353793680.db2.gz	LGPPFMIPDLIAAW-ONGXEEELSA-N	0	1	247.298	0.942	20	30		BCEDMN
N#CCN1CCC(NC(=O)C(F)(F)F)CC1	ZINC000104367473	181041297	/nfs/dbraw/zinc/04/12/97/181041297.db2.gz	FCULJFLQJKDJAA-UHFFFAOYSA-N	0	1	235.209	0.653	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCN(C)CC[C@@H]1C	ZINC000334551299	353990736	/nfs/dbraw/zinc/99/07/36/353990736.db2.gz	ASQJPWXLGYBQBP-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
CCN(CCOC)[C@H](C)C(=O)N(C)CCC#N	ZINC000343642306	353952059	/nfs/dbraw/zinc/95/20/59/353952059.db2.gz	DRDIGENJWBHSLD-LLVKDONJSA-N	0	1	241.335	0.715	20	30		BCEDMN
CCC[N@@H+](C)CC(=O)N[C@H](C#N)C(C)C	ZINC000343655489	353955078	/nfs/dbraw/zinc/95/50/78/353955078.db2.gz	IFEPZGBAJWOJSJ-SNVBAGLBSA-N	0	1	211.309	0.993	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000343981649	354057890	/nfs/dbraw/zinc/05/78/90/354057890.db2.gz	NZFUPNWKJPQRTB-MNOVXSKESA-N	0	1	246.376	0.965	20	30		BCEDMN
N#Cc1cc(CN(CCO)CCO)ccc1F	ZINC000156789422	181084879	/nfs/dbraw/zinc/08/48/79/181084879.db2.gz	CYYYKRJYXZVPMG-UHFFFAOYSA-N	0	1	238.262	0.484	20	30		BCEDMN
N#Cc1cc(NC(=O)[C@@H]2CNCCO2)ccc1F	ZINC000051638371	181090282	/nfs/dbraw/zinc/09/02/82/181090282.db2.gz	VNSCPRHGWOLQNZ-NSHDSACASA-N	0	1	249.245	0.624	20	30		BCEDMN
CC1=C[C@H](C)CN(CC(=O)NCC#N)C1	ZINC000334595958	354229247	/nfs/dbraw/zinc/22/92/47/354229247.db2.gz	QPSPENQCPGIVIU-VIFPVBQESA-N	0	1	207.277	0.524	20	30		BCEDMN
C=CCOCCCN1C[C@H](OC)C[C@H]1C(N)=O	ZINC000344558246	354295605	/nfs/dbraw/zinc/29/56/05/354295605.db2.gz	XWVQPLFLBVXFPH-MNOVXSKESA-N	0	1	242.319	0.154	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCN2CCC2)cc1	ZINC000337306933	181100631	/nfs/dbraw/zinc/10/06/31/181100631.db2.gz	WAIQVWWXMUTOTD-UHFFFAOYSA-N	0	1	229.283	0.994	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N(C)C1CC(O)C1	ZINC000332074592	134003987	/nfs/dbraw/zinc/00/39/87/134003987.db2.gz	WGVVCVKEXBUJPH-WHXUTIOJSA-N	0	1	239.319	0.202	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CCC#N)C1	ZINC000332404131	134004728	/nfs/dbraw/zinc/00/47/28/134004728.db2.gz	LGCJWYVDFVGOEA-BDAKNGLRSA-N	0	1	221.264	0.480	20	30		BCEDMN
N#Cc1ccc(CN2CCn3c(=O)[nH]nc3C2)o1	ZINC000362110848	181105738	/nfs/dbraw/zinc/10/57/38/181105738.db2.gz	UDZDLSYJALRCJN-UHFFFAOYSA-N	0	1	245.242	0.464	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H](C(N)=O)C2)o1	ZINC000157122440	181106164	/nfs/dbraw/zinc/10/61/64/181106164.db2.gz	WZVTWLCYBDCFHN-QMMMGPOBSA-N	0	1	219.244	0.458	20	30		BCEDMN
CCN1CCN(CC(=O)N[C@H](C)CC#N)CC1	ZINC000344988809	354389574	/nfs/dbraw/zinc/38/95/74/354389574.db2.gz	IJAIHSYMGPDLPL-LLVKDONJSA-N	0	1	238.335	0.042	20	30		BCEDMN
C#CCNC(=O)[C@]1(N(C)C)CCCSC1	ZINC000366927062	354858279	/nfs/dbraw/zinc/85/82/79/354858279.db2.gz	XZHHFVKSTGYPRF-NSHDSACASA-N	0	1	226.345	0.563	20	30		BCEDMN
C[C@H](C#N)C(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000346262089	354884366	/nfs/dbraw/zinc/88/43/66/354884366.db2.gz	ZHQAJYYFGCURMC-SSDOTTSWSA-N	0	1	234.263	0.245	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC#N)CC1(C)C	ZINC000335169596	354931618	/nfs/dbraw/zinc/93/16/18/354931618.db2.gz	ZASLTDGCBFGCAO-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
CC(C)[C@H]1CN(C)CCN1C(=O)[C@H](C)C#N	ZINC000335870764	355637091	/nfs/dbraw/zinc/63/70/91/355637091.db2.gz	BHHMNIGTTZNMHF-GHMZBOCLSA-N	0	1	223.320	0.945	20	30		BCEDMN
O=C(NCCN1CCC1)N[C@@H]1CCCOCC1	ZINC000329517230	355927362	/nfs/dbraw/zinc/92/73/62/355927362.db2.gz	ZAURZLNTXQCWME-LLVKDONJSA-N	0	1	241.335	0.765	20	30		BCEDMN
C[C@@H]1C[C@H](NC(=O)NCCN2CCC2)CCO1	ZINC000329122994	355898592	/nfs/dbraw/zinc/89/85/92/355898592.db2.gz	XAIANHPXQGBQQI-GHMZBOCLSA-N	0	1	241.335	0.763	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)Nc1nc(C2CCC2)n[nH]1	ZINC000613495623	363459466	/nfs/dbraw/zinc/45/94/66/363459466.db2.gz	LTJNNOIZAHPZCG-LLVKDONJSA-N	0	1	236.275	0.948	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)Nc1n[nH]c(C2CCC2)n1	ZINC000613495623	363459469	/nfs/dbraw/zinc/45/94/69/363459469.db2.gz	LTJNNOIZAHPZCG-LLVKDONJSA-N	0	1	236.275	0.948	20	30		BCEDMN
Cn1cc(C(=O)NC2(c3nnc[nH]3)CCC2)cn1	ZINC000329892198	356140512	/nfs/dbraw/zinc/14/05/12/356140512.db2.gz	ACKRGCZWMYLSCS-UHFFFAOYSA-N	0	1	246.274	0.922	20	30		BCEDMN
COC(=O)CN(C(=O)C(C)C#N)C1CC1	ZINC000352211774	134107938	/nfs/dbraw/zinc/10/79/38/134107938.db2.gz	VGSXVEOXXYBQNY-SSDOTTSWSA-N	0	1	210.233	0.310	20	30		BCEDMN
C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCN1	ZINC000088059057	356473617	/nfs/dbraw/zinc/47/36/17/356473617.db2.gz	LEMKYVOIJFKPST-JTQLQIEISA-N	0	1	229.283	0.992	20	30		BCEDMN
CC#CCN1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000639714853	356616929	/nfs/dbraw/zinc/61/69/29/356616929.db2.gz	WYMUCDZMJKVDQI-SECBINFHSA-N	0	1	233.271	0.700	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(C)C(C)(C)CO	ZINC000609894975	356649821	/nfs/dbraw/zinc/64/98/21/356649821.db2.gz	UMAGNZINNNLKFH-UHFFFAOYSA-N	0	1	241.335	0.451	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC(OC)CC1	ZINC000053897988	363556810	/nfs/dbraw/zinc/55/68/10/363556810.db2.gz	NACZSAOVIYWLQD-SNVBAGLBSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCNC(=O)[C@@H]1C(C)C	ZINC000305078912	134159834	/nfs/dbraw/zinc/15/98/34/134159834.db2.gz	LXCUQBLXNYDLCO-NEPJUHHUSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CC1CCN(CC(=O)NCC(=O)OC)CC1	ZINC000111693111	134160900	/nfs/dbraw/zinc/16/09/00/134160900.db2.gz	NQQMEWXUERJXHK-UHFFFAOYSA-N	0	1	240.303	0.174	20	30		BCEDMN
C[C@H](C#N)C(=O)NCCCCN1CCOCC1	ZINC000357819585	134185475	/nfs/dbraw/zinc/18/54/75/134185475.db2.gz	DSXKFZHRTFGVDL-LLVKDONJSA-N	0	1	239.319	0.375	20	30		BCEDMN
CC#CCNC(=O)NCCN1CC=C(C)CC1	ZINC000358162372	134186814	/nfs/dbraw/zinc/18/68/14/134186814.db2.gz	HRLVCMPPAMNQEM-UHFFFAOYSA-N	0	1	235.331	0.961	20	30		BCEDMN
CC#CCCNC(=O)CCc1cnc[nH]1	ZINC000355730001	538798048	/nfs/dbraw/zinc/79/80/48/538798048.db2.gz	KVGOPEWJWHJXON-UHFFFAOYSA-N	0	1	205.261	0.872	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000395119190	357412685	/nfs/dbraw/zinc/41/26/85/357412685.db2.gz	FXLSUEAWMCIUNH-NSHDSACASA-N	0	1	213.277	0.986	20	30		BCEDMN
CO[C@@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000361362954	134204454	/nfs/dbraw/zinc/20/44/54/134204454.db2.gz	XAXUCUGXPSWEGA-GHMZBOCLSA-N	0	1	239.319	0.468	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCCN(C)C(=O)C1	ZINC000191081695	357748292	/nfs/dbraw/zinc/74/82/92/357748292.db2.gz	DUTUVBUCYFJEBA-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCN(CCOC)C(=O)CN(C)C	ZINC000191977661	357818666	/nfs/dbraw/zinc/81/86/66/357818666.db2.gz	OHBWDWKFOUAJPC-UHFFFAOYSA-N	0	1	200.282	0.209	20	30		BCEDMN
COC[C@@H](CO)NCc1ccc(C#N)cc1F	ZINC000234868749	357839390	/nfs/dbraw/zinc/83/93/90/357839390.db2.gz	GHDXYDOBBKNCHF-LLVKDONJSA-N	0	1	238.262	0.794	20	30		BCEDMN
C=CCCCCCN1CCN(CC(N)=O)CC1	ZINC000193299462	357873472	/nfs/dbraw/zinc/87/34/72/357873472.db2.gz	FLLKBRKCQAFBQK-UHFFFAOYSA-N	0	1	239.363	0.836	20	30		BCEDMN
N#CCSCCCN1CCCC[C@@H]1C(N)=O	ZINC000074981393	325273421	/nfs/dbraw/zinc/27/34/21/325273421.db2.gz	LQEMIPCXZFBDMR-SNVBAGLBSA-N	0	1	241.360	0.973	20	30		BCEDMN
C[C@@H]1CN(C2CCN(CC#N)CC2)CCO1	ZINC000373921977	134234948	/nfs/dbraw/zinc/23/49/48/134234948.db2.gz	RBNIIBFJMHGXTL-LLVKDONJSA-N	0	1	223.320	0.695	20	30		BCEDMN
CC[C@H]1CN(C)CCN1c1ccnc(C#N)n1	ZINC000583763687	357938300	/nfs/dbraw/zinc/93/83/00/357938300.db2.gz	ICYGAHYFTJQVRP-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
N#Cc1cccc(CC(=O)NCc2nnc[nH]2)c1	ZINC000610521700	357969542	/nfs/dbraw/zinc/96/95/42/357969542.db2.gz	XFSRSZLQDNLWTG-UHFFFAOYSA-N	0	1	241.254	0.535	20	30		BCEDMN
Cc1cc(NC(=O)[C@H](C)N(C)C)n(CCC#N)n1	ZINC000610560081	357987323	/nfs/dbraw/zinc/98/73/23/357987323.db2.gz	ZAYBRMYDPXKIRH-JTQLQIEISA-N	0	1	249.318	0.994	20	30		BCEDMN
C[C@@H](C(=O)NC1(C#N)CCCC1)N(C)C	ZINC000610560858	357988125	/nfs/dbraw/zinc/98/81/25/357988125.db2.gz	YDQAOOKFIDBJNB-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
N#Cc1ccc(CNC(CO)CO)c(Cl)c1	ZINC000169018510	358010877	/nfs/dbraw/zinc/01/08/77/358010877.db2.gz	UUZDGDIYWDYZJC-UHFFFAOYSA-N	0	1	240.690	0.654	20	30		BCEDMN
CC[C@H](CC#N)NCCOCCOC	ZINC000044725165	358392535	/nfs/dbraw/zinc/39/25/35/358392535.db2.gz	UHTIZVXIGYKVBS-SNVBAGLBSA-N	0	1	200.282	0.931	20	30		BCEDMN
COCCN(CCC#N)C(=O)[C@H](C)N(C)C	ZINC000610987898	358422197	/nfs/dbraw/zinc/42/21/97/358422197.db2.gz	KYSBKVKVYZKLCJ-JTQLQIEISA-N	0	1	227.308	0.325	20	30		BCEDMN
N#CCN1CC[C@@H](CN2CCOCC2)C1	ZINC000129178057	358583656	/nfs/dbraw/zinc/58/36/56/358583656.db2.gz	XCBWCGYENVOHEG-LLVKDONJSA-N	0	1	209.293	0.164	20	30		BCEDMN
C[C@@H](O)CN(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000051821619	358763927	/nfs/dbraw/zinc/76/39/27/358763927.db2.gz	FQODPPWTGPGJIR-SKDRFNHKSA-N	0	1	239.319	0.107	20	30		BCEDMN
COCC#CCN[C@H]1CCCn2nccc21	ZINC000640221400	358891534	/nfs/dbraw/zinc/89/15/34/358891534.db2.gz	WVMMKOPBGUFWQU-NSHDSACASA-N	0	1	219.288	0.957	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN(CCC#N)CC1	ZINC000611175974	358935224	/nfs/dbraw/zinc/93/52/24/358935224.db2.gz	PRTRKKAOJHRZFE-ZDUSSCGKSA-N	0	1	237.347	0.845	20	30		BCEDMN
CNC(=O)[C@@H](C)CN(C)C[C@@H](C#N)CCC#N	ZINC000247387708	359218027	/nfs/dbraw/zinc/21/80/27/359218027.db2.gz	VHSCISIHHAFASY-WDEREUQCSA-N	0	1	236.319	0.744	20	30		BCEDMN
CO[C@@H]1CCCN(CC(=O)NCC#N)CC1	ZINC000611943536	359489088	/nfs/dbraw/zinc/48/90/88/359489088.db2.gz	MPPDOTMAZYIIGB-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
CC(=O)N[C@H]1CCN(CC2(CC#N)CC2)C1	ZINC000228261155	359603430	/nfs/dbraw/zinc/60/34/30/359603430.db2.gz	YBNHWGOMHPXGOP-NSHDSACASA-N	0	1	221.304	0.891	20	30		BCEDMN
CCc1nc(CN2CCN(CCC#N)CC2)n[nH]1	ZINC000613859831	363664176	/nfs/dbraw/zinc/66/41/76/363664176.db2.gz	GOOVKFSPFOROBM-UHFFFAOYSA-N	0	1	248.334	0.398	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NCCc1nc(C)n[nH]1	ZINC000352274260	366553814	/nfs/dbraw/zinc/55/38/14/366553814.db2.gz	SRMAMENEAVMPSU-LLVKDONJSA-N	0	1	235.291	0.712	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1c1cc(C#N)ccn1	ZINC000450952199	202319898	/nfs/dbraw/zinc/31/98/98/202319898.db2.gz	HJKNDMNYJOVCRG-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
CN(C)CC(=O)N1CCC[C@](C)(C#N)C1	ZINC000612397349	359828854	/nfs/dbraw/zinc/82/88/54/359828854.db2.gz	GSDAWFAHZDQZSB-LLVKDONJSA-N	0	1	209.293	0.700	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN1CCC(C)(C)C1	ZINC000578451991	366573860	/nfs/dbraw/zinc/57/38/60/366573860.db2.gz	VZPSIPVRWGRLDZ-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C(C)COCCNC(=O)C1(N(C)C)CC1	ZINC000612437094	359841182	/nfs/dbraw/zinc/84/11/82/359841182.db2.gz	ZMTNYGAGMDIGGY-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000613967812	363692744	/nfs/dbraw/zinc/69/27/44/363692744.db2.gz	KNHFSSQABNFFPJ-MNOVXSKESA-N	0	1	226.320	0.332	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000613966554	363692852	/nfs/dbraw/zinc/69/28/52/363692852.db2.gz	BPBRXHNXQGEBGI-DGCLKSJQSA-N	0	1	240.347	0.722	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N(C)C[C@@H]1CCCN1C	ZINC000092631500	360185991	/nfs/dbraw/zinc/18/59/91/360185991.db2.gz	BLNNBIBUHFCIJW-UWVGGRQHSA-N	0	1	245.348	0.254	20	30		BCEDMN
CC#CCCN1CCN(CCC#N)CC1	ZINC000613175120	360477787	/nfs/dbraw/zinc/47/77/87/360477787.db2.gz	JDPRJNIZPNZLCF-UHFFFAOYSA-N	0	1	205.305	0.931	20	30		BCEDMN
C=C[C@H](O)C(=O)N1C[C@H](C)N(C)C[C@H]1C	ZINC000613191924	360607878	/nfs/dbraw/zinc/60/78/78/360607878.db2.gz	UKSGGZXYFRUDDK-AEJSXWLSSA-N	0	1	212.293	0.084	20	30		BCEDMN
C=C(C)C[C@@H](C)C(=O)NCCN1CC[C@@H](O)C1	ZINC000629171978	360919417	/nfs/dbraw/zinc/91/94/17/360919417.db2.gz	LRDFJHSTKVQKTH-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
CC#CCN(C)CC1CCS(=O)(=O)CC1	ZINC000339758797	219878222	/nfs/dbraw/zinc/87/82/22/219878222.db2.gz	TXASLBGKOMHDGT-UHFFFAOYSA-N	0	1	229.345	0.766	20	30		BCEDMN
C=CCN(C)C(=O)CN1CCN(CC)CC1	ZINC000428273205	201004419	/nfs/dbraw/zinc/00/44/19/201004419.db2.gz	CGKHUSNASKVWHG-UHFFFAOYSA-N	0	1	225.336	0.268	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(=O)n1C	ZINC000640650988	361349792	/nfs/dbraw/zinc/34/97/92/361349792.db2.gz	VUXCLGJTCFXNCI-NSHDSACASA-N	0	1	238.291	0.739	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)C(C)(C)C1	ZINC000579374891	366774215	/nfs/dbraw/zinc/77/42/15/366774215.db2.gz	RKGBVVQSHNAZFV-ZDUSSCGKSA-N	0	1	240.347	0.866	20	30		BCEDMN
N#CCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000435957573	201303699	/nfs/dbraw/zinc/30/36/99/201303699.db2.gz	JJUJRUAVKZNKDK-UHFFFAOYSA-N	0	1	249.230	0.742	20	30		BCEDMN
O=C(NCC#CCO)c1ccc(F)cc1O	ZINC000436695588	201333940	/nfs/dbraw/zinc/33/39/40/201333940.db2.gz	DOYSGRJOMSYWRP-UHFFFAOYSA-N	0	1	223.203	0.257	20	30		BCEDMN
C=CCN(CC=C)C(=O)Cn1ccnc1CN	ZINC000630584473	364290586	/nfs/dbraw/zinc/29/05/86/364290586.db2.gz	RJKDZZFFMYTZKS-UHFFFAOYSA-N	0	1	234.303	0.542	20	30		BCEDMN
C[C@@H](CO)N(C)Cc1ccc(C#N)cn1	ZINC000579489384	366829153	/nfs/dbraw/zinc/82/91/53/366829153.db2.gz	RUMXQTPSRVFBGN-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)c1cn(C)nc1C	ZINC000289630197	364769004	/nfs/dbraw/zinc/76/90/04/364769004.db2.gz	FEGZZFJPVWSEGF-WCBMZHEXSA-N	0	1	209.293	0.926	20	30		BCEDMN
CC(C)OC[C@@H](O)CNCC1(C#N)CC1	ZINC000573558042	364860770	/nfs/dbraw/zinc/86/07/70/364860770.db2.gz	NUVLDTPDYMYXSX-JTQLQIEISA-N	0	1	212.293	0.666	20	30		BCEDMN
CSc1nc(=O)n(CC2(C#N)CCC2)[nH]1	ZINC000574053955	364978295	/nfs/dbraw/zinc/97/82/95/364978295.db2.gz	IIUAKPMRTHTXOR-UHFFFAOYSA-N	0	1	224.289	0.987	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCO[C@H](C)C1	ZINC000575759422	365357100	/nfs/dbraw/zinc/35/71/00/365357100.db2.gz	SUVWGVMLCPQMMT-VXGBXAGGSA-N	0	1	225.336	0.989	20	30		BCEDMN
C=CCCCCCNC(=O)[C@@H](N)CC(=O)OC	ZINC000576052271	365465943	/nfs/dbraw/zinc/46/59/43/365465943.db2.gz	FCXOTWMLJQYKJJ-JTQLQIEISA-N	0	1	242.319	0.739	20	30		BCEDMN
CNC(=O)[C@H]1CCCN1CCOCCC#N	ZINC000338925224	365441927	/nfs/dbraw/zinc/44/19/27/365441927.db2.gz	KRLYWAKEWLKQAG-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
N#CC1(CNC(=O)NCCN2CC=CCC2)CC1	ZINC000579666410	366945251	/nfs/dbraw/zinc/94/52/51/366945251.db2.gz	YGCUMSXSEIXQNZ-UHFFFAOYSA-N	0	1	248.330	0.851	20	30		BCEDMN
C[C@H](CNC(=O)NC[C@H](C)C#N)[N@@H+](C)C1CC1	ZINC000182644984	366926299	/nfs/dbraw/zinc/92/62/99/366926299.db2.gz	VVAXPJAJVNPYJZ-NXEZZACHSA-N	0	1	238.335	0.928	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CCCCc1cn[nH]n1	ZINC000184769820	367093961	/nfs/dbraw/zinc/09/39/61/367093961.db2.gz	NBORGNBISQSPFW-SECBINFHSA-N	0	1	235.291	0.793	20	30		BCEDMN
CC[C@H](CC#N)NCCN1C(=O)N[C@H](C)C1=O	ZINC000581319022	367345773	/nfs/dbraw/zinc/34/57/73/367345773.db2.gz	ONVKNZHRYMGVPO-RKDXNWHRSA-N	0	1	238.291	0.209	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N[C@@]2(C#N)CCOC2)C1	ZINC000581201329	367293220	/nfs/dbraw/zinc/29/32/20/367293220.db2.gz	VKGJCULBCDAWGH-CMPLNLGQSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1C(=O)[O-]	ZINC000581500538	367527711	/nfs/dbraw/zinc/52/77/11/367527711.db2.gz	WGXBUDPPLBVZBR-UWVGGRQHSA-N	0	1	245.344	0.816	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000259276072	370890038	/nfs/dbraw/zinc/89/00/38/370890038.db2.gz	ZTVICOQTZMRQKA-GFCCVEGCSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)[C@H](C)O)nn1	ZINC000581938905	367966141	/nfs/dbraw/zinc/96/61/41/367966141.db2.gz	AQSFPRBYSSUXAE-IUCAKERBSA-N	0	1	210.281	0.323	20	30		BCEDMN
C[C@@H](O)CN(Cc1ccnc(C#N)c1)[C@H](C)CO	ZINC000615465984	367984526	/nfs/dbraw/zinc/98/45/26/367984526.db2.gz	NALVIJJQKSPDSW-GHMZBOCLSA-N	0	1	249.314	0.517	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@@](F)(C#N)C2)[nH]1	ZINC000615590658	368121930	/nfs/dbraw/zinc/12/19/30/368121930.db2.gz	SIZNNZUIEXZZJW-SNVBAGLBSA-N	0	1	222.223	0.796	20	30		BCEDMN
N#C[C@@]1(F)CCN(c2ncnc3nc[nH]c32)C1	ZINC000615531311	368096059	/nfs/dbraw/zinc/09/60/59/368096059.db2.gz	OFOYPZNRZZFRCI-JTQLQIEISA-N	0	1	232.222	0.795	20	30		BCEDMN
N#C[C@]1(F)CCN(c2ncnc3nc[nH]c32)C1	ZINC000615531312	368096452	/nfs/dbraw/zinc/09/64/52/368096452.db2.gz	OFOYPZNRZZFRCI-SNVBAGLBSA-N	0	1	232.222	0.795	20	30		BCEDMN
N#C[C@@]1(F)CCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000615531897	368097369	/nfs/dbraw/zinc/09/73/69/368097369.db2.gz	UINOPKNQWAHBSP-JTQLQIEISA-N	0	1	248.221	0.500	20	30		BCEDMN
CCc1nc(CN2CC[C@@](F)(C#N)C2)n[nH]1	ZINC000615638214	368179714	/nfs/dbraw/zinc/17/97/14/368179714.db2.gz	LWZPPLKUWWBFHS-SNVBAGLBSA-N	0	1	223.255	0.805	20	30		BCEDMN
N#Cc1cccc(NCc2nn[nH]n2)n1	ZINC000081595957	370902907	/nfs/dbraw/zinc/90/29/07/370902907.db2.gz	UNSLMTQHBLSCPZ-UHFFFAOYSA-N	0	1	201.193	0.078	20	30		BCEDMN
CCC[C@H](C#N)NC(=O)[C@H]1CCCN1C	ZINC000259754951	370938709	/nfs/dbraw/zinc/93/87/09/370938709.db2.gz	FOTFBSIAAXKESG-NXEZZACHSA-N	0	1	209.293	0.889	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(CC)C[C@@H]1CC	ZINC000615961106	368795512	/nfs/dbraw/zinc/79/55/12/368795512.db2.gz	PZEZGMWJADPHOZ-QWRGUYRKSA-N	0	1	226.320	0.476	20	30		BCEDMN
C[C@H](C#N)CNC(=O)C(C)(C)c1cnc[nH]1	ZINC000618935412	369242943	/nfs/dbraw/zinc/24/29/43/369242943.db2.gz	SIXQOCJUDWMGFU-MRVPVSSYSA-N	0	1	220.276	0.963	20	30		BCEDMN
CCOC[C@H](O)CNCC(C)(C)C#N	ZINC000405167052	369448348	/nfs/dbraw/zinc/44/83/48/369448348.db2.gz	JNGCYSOSSZEMLY-SECBINFHSA-N	0	1	200.282	0.523	20	30		BCEDMN
C[C@H]1CCNC(=O)[C@H]1NCc1ccnc(C#N)c1	ZINC000619655522	369509332	/nfs/dbraw/zinc/50/93/32/369509332.db2.gz	SVGZETNBBJUKQH-CABZTGNLSA-N	0	1	244.298	0.567	20	30		BCEDMN
CCNCc1cn(-c2ncccc2C#N)nn1	ZINC000600976666	369582401	/nfs/dbraw/zinc/58/24/01/369582401.db2.gz	SDRIERUELAARHP-UHFFFAOYSA-N	0	1	228.259	0.643	20	30		BCEDMN
N#Cc1csc(CN[C@H]2C[C@@H](CO)C2)n1	ZINC000601139317	369595849	/nfs/dbraw/zinc/59/58/49/369595849.db2.gz	ANIZAYPTDZJMTC-OCAPTIKFSA-N	0	1	223.301	0.875	20	30		BCEDMN
N#Cc1cc(N2CC(N3CCCC3)C2)ncn1	ZINC000601193934	369603730	/nfs/dbraw/zinc/60/37/30/369603730.db2.gz	SNIRENJDDGSSRN-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
CCCN(C)CC(=O)Nc1n[nH]cc1C#N	ZINC000601641931	369651397	/nfs/dbraw/zinc/65/13/97/369651397.db2.gz	SUVALHQSHSHSEV-UHFFFAOYSA-N	0	1	221.264	0.562	20	30		BCEDMN
CCN1C[C@H](NCc2cccc(C#N)n2)CC1=O	ZINC000602686037	369839601	/nfs/dbraw/zinc/83/96/01/369839601.db2.gz	VGEPRVWICNLIBN-GFCCVEGCSA-N	0	1	244.298	0.664	20	30		BCEDMN
CCc1nc(CNCc2cccc(C#N)n2)n[nH]1	ZINC000602672839	369839795	/nfs/dbraw/zinc/83/97/95/369839795.db2.gz	PXALCVCFZBJEJT-UHFFFAOYSA-N	0	1	242.286	0.924	20	30		BCEDMN
C[C@H](O)C[N@@H+](C)Cc1cccc(C#N)n1	ZINC000602607440	369826250	/nfs/dbraw/zinc/82/62/50/369826250.db2.gz	JWSCAMNPJLSKON-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@H](O)CN(C)Cc1cccc(C#N)n1	ZINC000602607440	369826255	/nfs/dbraw/zinc/82/62/55/369826255.db2.gz	JWSCAMNPJLSKON-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@H](C[S@](C)=O)NCc1cccc(C#N)n1	ZINC000602608407	369826650	/nfs/dbraw/zinc/82/66/50/369826650.db2.gz	NEFNAHJTUGXEEQ-ABKXIKBNSA-N	0	1	237.328	0.810	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](CC(N)=O)C2)n1	ZINC000602665201	369836820	/nfs/dbraw/zinc/83/68/20/369836820.db2.gz	UBMGRMZFXIWWCR-SNVBAGLBSA-N	0	1	244.298	0.651	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)Cc1ccc(C#N)nc1	ZINC000602433476	369788326	/nfs/dbraw/zinc/78/83/26/369788326.db2.gz	UHPJKGDETZGFGX-JTQLQIEISA-N	0	1	244.298	0.316	20	30		BCEDMN
CN(Cc1cccc(C#N)n1)C1(CO)CC1	ZINC000602713778	369845634	/nfs/dbraw/zinc/84/56/34/369845634.db2.gz	CIJBVCPJSJTRMS-UHFFFAOYSA-N	0	1	217.272	0.910	20	30		BCEDMN
COC[C@](C)(CO)NCc1ccc(C#N)cn1	ZINC000602931696	369866599	/nfs/dbraw/zinc/86/65/99/369866599.db2.gz	JDTCLJNMSPQTHQ-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
C=CCSCCNC(=O)[C@H](C)N(C)C	ZINC000078699530	370591584	/nfs/dbraw/zinc/59/15/84/370591584.db2.gz	GJRBSPUYYOHKLO-VIFPVBQESA-N	0	1	216.350	0.972	20	30		BCEDMN
N#Cc1cc(NCCc2nc[nH]n2)ccn1	ZINC000070646463	371050387	/nfs/dbraw/zinc/05/03/87/371050387.db2.gz	VQBWLWGLZBTYQV-UHFFFAOYSA-N	0	1	214.232	0.726	20	30		BCEDMN
C#C[C@@H](C)N[C@H]1CCCS(=O)(=O)C1	ZINC000229532139	372161649	/nfs/dbraw/zinc/16/16/49/372161649.db2.gz	MSQNQQXUQLCOHJ-BDAKNGLRSA-N	0	1	201.291	0.175	20	30		BCEDMN
C#C[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1	ZINC000229532121	372161842	/nfs/dbraw/zinc/16/18/42/372161842.db2.gz	MSQNQQXUQLCOHJ-RKDXNWHRSA-N	0	1	201.291	0.175	20	30		BCEDMN
CC#CCN(C)S(=O)(=O)c1ncc[nH]1	ZINC000632375283	372906749	/nfs/dbraw/zinc/90/67/49/372906749.db2.gz	PPVZWPMKYDEAHZ-UHFFFAOYSA-N	0	1	213.262	0.054	20	30		BCEDMN
CCCc1cc(C(=O)N2CCOC[C@@H]2C#N)n[nH]1	ZINC000173132135	373213038	/nfs/dbraw/zinc/21/30/38/373213038.db2.gz	QWXMFPACSWOSPQ-JTQLQIEISA-N	0	1	248.286	0.727	20	30		BCEDMN
CC#CCN(C)C(=O)CCc1c[nH]nn1	ZINC000633214812	373356495	/nfs/dbraw/zinc/35/64/95/373356495.db2.gz	NMJKMCHAPJSZJO-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
CC#CCN(C)C(=O)CCc1cnn[nH]1	ZINC000633214812	373356501	/nfs/dbraw/zinc/35/65/01/373356501.db2.gz	NMJKMCHAPJSZJO-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
C=CC(C)(C)CNC(=O)CCc1nn[nH]n1	ZINC000633306324	373464846	/nfs/dbraw/zinc/46/48/46/373464846.db2.gz	JWHFNLZNEPLUGD-UHFFFAOYSA-N	0	1	223.280	0.461	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1nnc[nH]1	ZINC000633487160	373573480	/nfs/dbraw/zinc/57/34/80/373573480.db2.gz	RSQRDSBGHUTIEU-IUCAKERBSA-N	0	1	236.275	0.055	20	30		BCEDMN
C=CCN(C(=O)Cc1ncn[nH]1)[C@H](C)COC	ZINC000633612455	373626900	/nfs/dbraw/zinc/62/69/00/373626900.db2.gz	NOWUJCAQAOWJET-SECBINFHSA-N	0	1	238.291	0.397	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1	ZINC000633672764	373675408	/nfs/dbraw/zinc/67/54/08/373675408.db2.gz	SAVLEUMXDRVIBX-VIFPVBQESA-N	0	1	220.276	0.772	20	30		BCEDMN
C=C(C)CN(C)CCNS(C)(=O)=O	ZINC000172080287	206004597	/nfs/dbraw/zinc/00/45/97/206004597.db2.gz	PGPGQFMGKZRWPU-UHFFFAOYSA-N	0	1	206.311	0.044	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC([C@@H](C)O)CC1	ZINC000225782180	259592988	/nfs/dbraw/zinc/59/29/88/259592988.db2.gz	MTFNWLBPOBEFTL-WDEREUQCSA-N	0	1	238.331	0.217	20	30		BCEDMN
C[C@H](C#N)N1CCC[C@H](CN2CCOCC2)C1	ZINC000181872359	134339989	/nfs/dbraw/zinc/33/99/89/134339989.db2.gz	FZWIDDGGNRZOTO-CHWSQXEVSA-N	0	1	237.347	0.943	20	30		BCEDMN
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H](C)O	ZINC000227163267	134376480	/nfs/dbraw/zinc/37/64/80/134376480.db2.gz	OCVOQOFVDRGTNF-JQWIXIFHSA-N	0	1	241.335	0.353	20	30		BCEDMN
COC[C@H](CO)NCc1ccc(C#N)cc1F	ZINC000234789296	383999370	/nfs/dbraw/zinc/99/93/70/383999370.db2.gz	GHDXYDOBBKNCHF-NSHDSACASA-N	0	1	238.262	0.794	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)cc2)C1	ZINC000158438074	383948242	/nfs/dbraw/zinc/94/82/42/383948242.db2.gz	JLBALWKXDBYPIO-UHFFFAOYSA-N	0	1	229.283	0.944	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cncnc1OC	ZINC000647216127	384011012	/nfs/dbraw/zinc/01/10/12/384011012.db2.gz	WANORFXPEJVVEV-LLVKDONJSA-N	0	1	237.303	0.902	20	30		BCEDMN
COC[C@H](O)CCNCc1nc(C#N)cs1	ZINC000309630941	384099993	/nfs/dbraw/zinc/09/99/93/384099993.db2.gz	HSTUBBBMVJCBNY-SECBINFHSA-N	0	1	241.316	0.502	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NCc1ccnc(OC)n1	ZINC000449519481	384175358	/nfs/dbraw/zinc/17/53/58/384175358.db2.gz	MWNDIDONRLUMRR-MNOVXSKESA-N	0	1	235.287	0.918	20	30		BCEDMN
CN(Cc1nnc[nH]1)C(=O)C1(C#N)CCCC1	ZINC000080531054	384170403	/nfs/dbraw/zinc/17/04/03/384170403.db2.gz	RSMVORCKPXJHDU-UHFFFAOYSA-N	0	1	233.275	0.847	20	30		BCEDMN
COC[C@H]1CN(CCCSCC#N)CCO1	ZINC000074991461	384176818	/nfs/dbraw/zinc/17/68/18/384176818.db2.gz	ATBGOJFJRHBZHF-LLVKDONJSA-N	0	1	244.360	0.980	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCO	ZINC000153140588	384178162	/nfs/dbraw/zinc/17/81/62/384178162.db2.gz	AOZGLCKUXQMKSE-NSHDSACASA-N	0	1	228.336	0.724	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](O)[C@@H](C)C1	ZINC000229575893	384378819	/nfs/dbraw/zinc/37/88/19/384378819.db2.gz	NRWWKUPDQUEPAU-GARJFASQSA-N	0	1	226.320	0.380	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)[C@H](C)OC	ZINC000490876409	384456303	/nfs/dbraw/zinc/45/63/03/384456303.db2.gz	UHUXSYKEMGCIIM-WDEREUQCSA-N	0	1	225.288	0.662	20	30		BCEDMN
C=CCSCCNC(=O)CN(C)C	ZINC000170757342	384519169	/nfs/dbraw/zinc/51/91/69/384519169.db2.gz	JJOFBACSQPLOGA-UHFFFAOYSA-N	0	1	202.323	0.583	20	30		BCEDMN
CC(C)N(Cc1ccc(C#N)cn1)C[C@H](O)CO	ZINC000564587050	384541929	/nfs/dbraw/zinc/54/19/29/384541929.db2.gz	ZKQWGGQQZFNUEI-ZDUSSCGKSA-N	0	1	249.314	0.517	20	30		BCEDMN
C=CC1CCN(C(=O)[C@@H]2CNCCO2)CC1	ZINC000236652679	384538314	/nfs/dbraw/zinc/53/83/14/384538314.db2.gz	UBBYXWGMQBSBDU-NSHDSACASA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CCCN1CC[C@@H](S(C)(=O)=O)C1	ZINC000308297631	384587680	/nfs/dbraw/zinc/58/76/80/384587680.db2.gz	IXBRRYRIRHANHE-SECBINFHSA-N	0	1	203.307	0.681	20	30		BCEDMN
CN1CCC(C#N)(NC(=O)CC2CC2)CC1	ZINC000048347732	384675510	/nfs/dbraw/zinc/67/55/10/384675510.db2.gz	UTAHSBWXZQJHFD-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCNC(=O)CCN[C@H](C)c1ccn(C)n1	ZINC000491384871	384654468	/nfs/dbraw/zinc/65/44/68/384654468.db2.gz	PXSZGWKTVRJYLF-SNVBAGLBSA-N	0	1	234.303	0.210	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NC(=O)c1cnn[nH]1	ZINC000086558708	384662198	/nfs/dbraw/zinc/66/21/98/384662198.db2.gz	BEBXWLHKYAYXKR-NKWVEPMBSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=CCNC(=O)N1CCN(C)C[C@@H]1CC	ZINC000518111745	384692438	/nfs/dbraw/zinc/69/24/38/384692438.db2.gz	XKPAQBKIOHHAIF-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C[C@H]1C[C@@H](Nc2ncncc2C#N)C[N@H+]1C1CC1	ZINC000565890192	384716228	/nfs/dbraw/zinc/71/62/28/384716228.db2.gz	OSGXWGWKCCOAMB-GXSJLCMTSA-N	0	1	243.314	0.807	20	30		BCEDMN
C[C@@H]1C[C@H](Nc2ncncc2C#N)C[N@H+]1C1CC1	ZINC000565890200	384716568	/nfs/dbraw/zinc/71/65/68/384716568.db2.gz	OSGXWGWKCCOAMB-KOLCDFICSA-N	0	1	243.314	0.807	20	30		BCEDMN
C#CCNC(=O)CCNCc1c(C)noc1C	ZINC000491072574	384809813	/nfs/dbraw/zinc/80/98/13/384809813.db2.gz	TUDHRJGYAKKZKR-UHFFFAOYSA-N	0	1	235.287	0.521	20	30		BCEDMN
C#CCNC(=O)CN1CCN(CCCC=C)CC1	ZINC000491440296	384857808	/nfs/dbraw/zinc/85/78/08/384857808.db2.gz	OHSQLFXCVUXRTL-UHFFFAOYSA-N	0	1	249.358	0.320	20	30		BCEDMN
N#CCC1(CNC(=O)c2cnn[nH]2)CC1	ZINC000331854476	384866109	/nfs/dbraw/zinc/86/61/09/384866109.db2.gz	HVAXEGYWFQNZOK-UHFFFAOYSA-N	0	1	205.221	0.228	20	30		BCEDMN
C=CC[C@H](CO)NCc1snnc1C	ZINC000320292400	384916120	/nfs/dbraw/zinc/91/61/20/384916120.db2.gz	QTVHUPDNEXCECF-MRVPVSSYSA-N	0	1	213.306	0.873	20	30		BCEDMN
Cc1ncc(C(=O)N2CCSC[C@H]2C#N)[nH]1	ZINC000271777392	384926308	/nfs/dbraw/zinc/92/63/08/384926308.db2.gz	RMHFJYKJFFZRKC-MRVPVSSYSA-N	0	1	236.300	0.799	20	30		BCEDMN
C=CCCCC(=O)Nc1nn[nH]c1C(=O)NC	ZINC000297839754	384968289	/nfs/dbraw/zinc/96/82/89/384968289.db2.gz	WJOBBKFHFWNGPF-UHFFFAOYSA-N	0	1	237.263	0.459	20	30		BCEDMN
N#CC1(CNC(=O)c2[nH]nc3c2CCC3)CC1	ZINC000559609819	385063751	/nfs/dbraw/zinc/06/37/51/385063751.db2.gz	DMYQZZHDDFLEPD-UHFFFAOYSA-N	0	1	230.271	0.932	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000646912305	385064780	/nfs/dbraw/zinc/06/47/80/385064780.db2.gz	QZUFUDFNGNAOSJ-OIBJUYFYSA-N	0	1	223.276	0.312	20	30		BCEDMN
CC(C)c1cc(C(=O)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000106047459	385082136	/nfs/dbraw/zinc/08/21/36/385082136.db2.gz	JTRAXJOQFQMVSG-VIFPVBQESA-N	0	1	248.286	0.898	20	30		BCEDMN
C=CCn1cc(CN[C@H]2CCCOC2)nn1	ZINC000424291233	385137832	/nfs/dbraw/zinc/13/78/32/385137832.db2.gz	DJBGCICRNUSYQZ-JTQLQIEISA-N	0	1	222.292	0.733	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(CC)CCOCC	ZINC000157573822	385199391	/nfs/dbraw/zinc/19/93/91/385199391.db2.gz	USNYFUKAYLMUAF-NSHDSACASA-N	0	1	226.320	0.483	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@@H]1C[C@H](C)O	ZINC000157361845	385150591	/nfs/dbraw/zinc/15/05/91/385150591.db2.gz	SAKRWOMKZLNADX-RWMBFGLXSA-N	0	1	243.347	0.785	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(O)C1	ZINC000177981153	385158286	/nfs/dbraw/zinc/15/82/86/385158286.db2.gz	ZOJNZKNWQVOIHP-ZYHUDNBSSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@@H](O)CN1CCN(CC2(C#N)CC2)[C@H](C)C1	ZINC000407970213	385222003	/nfs/dbraw/zinc/22/20/03/385222003.db2.gz	ZXCMILBCUHRBFH-VXGBXAGGSA-N	0	1	237.347	0.677	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(C#N)CC2)[C@H](C)C1	ZINC000407970203	385222380	/nfs/dbraw/zinc/22/23/80/385222380.db2.gz	ZXCMILBCUHRBFH-NEPJUHHUSA-N	0	1	237.347	0.677	20	30		BCEDMN
CC#CCCN1CC[C@H](S(=O)(=O)NCC)C1	ZINC000157588119	385225199	/nfs/dbraw/zinc/22/51/99/385225199.db2.gz	RQTGVVLHZULHSZ-NSHDSACASA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CCN(CC#N)C(=O)CN1CCC(C)(C)C1	ZINC000491627621	385225659	/nfs/dbraw/zinc/22/56/59/385225659.db2.gz	LCWRSMOLEVLLNL-UHFFFAOYSA-N	0	1	233.315	0.704	20	30		BCEDMN
C[C@@H]1CN(CCC#N)CC[N@H+]1CC(C)(C)O	ZINC000408441748	385293841	/nfs/dbraw/zinc/29/38/41/385293841.db2.gz	GJDOSNJNRXGGQE-LLVKDONJSA-N	0	1	225.336	0.677	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000407998068	385343888	/nfs/dbraw/zinc/34/38/88/385343888.db2.gz	QNXIGBYPVXLKJV-MRVPVSSYSA-N	0	1	233.275	0.282	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000407998068	385343896	/nfs/dbraw/zinc/34/38/96/385343896.db2.gz	QNXIGBYPVXLKJV-MRVPVSSYSA-N	0	1	233.275	0.282	20	30		BCEDMN
N#CC[C@@H](O)CSc1nc(N)cc(N)n1	ZINC000309084442	385410729	/nfs/dbraw/zinc/41/07/29/385410729.db2.gz	VJQBFRZOWNYMSQ-RXMQYKEDSA-N	0	1	225.277	0.008	20	30		BCEDMN
C=C[C@@H](CO)NCc1cccc(C(N)=O)c1	ZINC000289775924	385421676	/nfs/dbraw/zinc/42/16/76/385421676.db2.gz	JCRNNXFZTWVJLH-NSHDSACASA-N	0	1	220.272	0.422	20	30		BCEDMN
N#Cc1ccc(CN2CCC[C@H]2CO)nc1	ZINC000581287147	385519860	/nfs/dbraw/zinc/51/98/60/385519860.db2.gz	NZWUVNRXKSQNMV-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
Cc1nc(CC(=O)NCC2(C#N)CCCC2)n[nH]1	ZINC000597808092	385588325	/nfs/dbraw/zinc/58/83/25/385588325.db2.gz	GTTQSMFLLIMHSF-UHFFFAOYSA-N	0	1	247.302	0.856	20	30		BCEDMN
Cc1cc(C(=O)N2CCOC[C@@H]2C#N)n[nH]1	ZINC000259978030	385634700	/nfs/dbraw/zinc/63/47/00/385634700.db2.gz	UBDSYAQXEXEBRM-QMMMGPOBSA-N	0	1	220.232	0.083	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NC1(C#N)CCOCC1	ZINC000408175333	385610328	/nfs/dbraw/zinc/61/03/28/385610328.db2.gz	SIFQMZLBTUGSHT-SNVBAGLBSA-N	0	1	237.303	0.270	20	30		BCEDMN
C=CCn1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)nn1	ZINC000647805170	385843540	/nfs/dbraw/zinc/84/35/40/385843540.db2.gz	AFYWUFXGUGBZRP-UWVGGRQHSA-N	0	1	249.318	0.287	20	30		BCEDMN
C=CCn1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)nn1	ZINC000647805167	385844605	/nfs/dbraw/zinc/84/46/05/385844605.db2.gz	AFYWUFXGUGBZRP-AOOOYVTPSA-N	0	1	249.318	0.287	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc(CNCC)nn1	ZINC000603233721	385845951	/nfs/dbraw/zinc/84/59/51/385845951.db2.gz	KBCNEGLRZXJZPY-VIFPVBQESA-N	0	1	224.264	0.288	20	30		BCEDMN
C[C@H](C#N)CN(C)CC1(O)CCOCC1	ZINC000123733274	385912022	/nfs/dbraw/zinc/91/20/22/385912022.db2.gz	GPAAFLDMZGJRTF-SNVBAGLBSA-N	0	1	212.293	0.619	20	30		BCEDMN
C#CCN1CCCC[C@@H]1Cn1ccnn1	ZINC000369282245	533153486	/nfs/dbraw/zinc/15/34/86/533153486.db2.gz	ZJOSLPLQMNXQHC-LLVKDONJSA-N	0	1	204.277	0.766	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCC(F)(F)[C@@H](CO)C1	ZINC000643387573	385949961	/nfs/dbraw/zinc/94/99/61/385949961.db2.gz	UJQIQDFMFRWLFB-NXEZZACHSA-N	0	1	235.274	0.873	20	30		BCEDMN
C=CCOCCn1[nH]c(SC)nc1=O	ZINC000338565171	386055187	/nfs/dbraw/zinc/05/51/87/386055187.db2.gz	DAJLJSOLIYIBBL-UHFFFAOYSA-N	0	1	215.278	0.496	20	30		BCEDMN
C=CCN1CC[C@@H](N2C[C@H](O)C(C)(C)C2)C1=O	ZINC000334460940	386124929	/nfs/dbraw/zinc/12/49/29/386124929.db2.gz	ODARBLUVMUVJHF-MNOVXSKESA-N	0	1	238.331	0.476	20	30		BCEDMN
C[C@@H](NC(=O)NCCCC#N)c1nnc[nH]1	ZINC000345808886	386132461	/nfs/dbraw/zinc/13/24/61/386132461.db2.gz	CSDYYOHMCKSPKF-SSDOTTSWSA-N	0	1	222.252	0.469	20	30		BCEDMN
CC(C#N)C(=O)NCC(=O)OC(C)(C)C	ZINC000347081054	386242328	/nfs/dbraw/zinc/24/23/28/386242328.db2.gz	JCWVPWWUPXCTQE-ZETCQYMHSA-N	0	1	212.249	0.604	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000424978512	386259071	/nfs/dbraw/zinc/25/90/71/386259071.db2.gz	QCZFSAJGEWXMGV-AXFHLTTASA-N	0	1	221.304	0.889	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)C1CC1	ZINC000347220844	386286598	/nfs/dbraw/zinc/28/65/98/386286598.db2.gz	BOTWVRRLHHEZBC-XPUUQOCRSA-N	0	1	210.233	0.214	20	30		BCEDMN
COCC(C)(C)N1CCN(CC#N)CC1	ZINC000425512010	386288799	/nfs/dbraw/zinc/28/87/99/386288799.db2.gz	XQTDJDPQSWZDND-UHFFFAOYSA-N	0	1	211.309	0.553	20	30		BCEDMN
CC(C)(C#N)CCN1CCN2CCOC[C@H]2C1	ZINC000347235597	386275495	/nfs/dbraw/zinc/27/54/95/386275495.db2.gz	SGXBWYSENCYFIG-GFCCVEGCSA-N	0	1	237.347	0.943	20	30		BCEDMN
OC[C@@H]1CC[C@@H](CO)N1CC#Cc1ccccc1	ZINC000347349632	386345941	/nfs/dbraw/zinc/34/59/41/386345941.db2.gz	WHUHWASQWJPOIX-GJZGRUSLSA-N	0	1	245.322	0.856	20	30		BCEDMN
C=C(C)C[N@H+](C)CC(=O)NC(=O)NCC(C)C	ZINC000181273178	386347956	/nfs/dbraw/zinc/34/79/56/386347956.db2.gz	HPARKOQWMWNYNV-UHFFFAOYSA-N	0	1	241.335	0.976	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC(=O)NCC(C)C	ZINC000181273178	386347960	/nfs/dbraw/zinc/34/79/60/386347960.db2.gz	HPARKOQWMWNYNV-UHFFFAOYSA-N	0	1	241.335	0.976	20	30		BCEDMN
C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)NC1CC1	ZINC000181296871	386348447	/nfs/dbraw/zinc/34/84/47/386348447.db2.gz	MEQLSYLOUYKSKE-VIFPVBQESA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](O)CC[C@H]1C	ZINC000399178497	386437624	/nfs/dbraw/zinc/43/76/24/386437624.db2.gz	RINZLEZFMPPKRF-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C(CC)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1	ZINC000347545058	386446889	/nfs/dbraw/zinc/44/68/89/386446889.db2.gz	KMFQLCVQQGKTNM-SNVBAGLBSA-N	0	1	232.349	0.706	20	30		BCEDMN
C=C(CC)CN1CCC[C@@H](S(N)(=O)=O)C1	ZINC000347545058	386446894	/nfs/dbraw/zinc/44/68/94/386446894.db2.gz	KMFQLCVQQGKTNM-SNVBAGLBSA-N	0	1	232.349	0.706	20	30		BCEDMN
C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCC#N	ZINC000408432108	386585363	/nfs/dbraw/zinc/58/53/63/386585363.db2.gz	DHKUIKWWDJWVNS-MXWKQRLJSA-N	0	1	239.319	0.107	20	30		BCEDMN
COCCN1CC[C@@H](NC(=O)[C@H]2CCCO2)C1	ZINC000328798799	386625324	/nfs/dbraw/zinc/62/53/24/386625324.db2.gz	WZXDMWSXCZMOFH-GHMZBOCLSA-N	0	1	242.319	0.843	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1	ZINC000425555651	386627676	/nfs/dbraw/zinc/62/76/76/386627676.db2.gz	YLSFHNVHZGIDBN-VHSXEESVSA-N	0	1	249.318	0.285	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@@H](c2nnc[nH]2)C1	ZINC000425555651	386627680	/nfs/dbraw/zinc/62/76/80/386627680.db2.gz	YLSFHNVHZGIDBN-VHSXEESVSA-N	0	1	249.318	0.285	20	30		BCEDMN
CN1C[C@H](C(=O)NCCN2CCC2)CC1=O	ZINC000328859683	386634915	/nfs/dbraw/zinc/63/49/15/386634915.db2.gz	YOYICNJGGCBIGI-SECBINFHSA-N	0	1	225.292	0.127	20	30		BCEDMN
N#Cc1csc(CN[C@]2(CO)CCOC2)c1	ZINC000184178896	386667260	/nfs/dbraw/zinc/66/72/60/386667260.db2.gz	LNTGCNSKLRCTCQ-NSHDSACASA-N	0	1	238.312	0.861	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@H](C)C1	ZINC000330437678	386694618	/nfs/dbraw/zinc/69/46/18/386694618.db2.gz	PVQOQJDVPYUIQH-VIFPVBQESA-N	0	1	225.292	0.544	20	30		BCEDMN
C=CCOCCN(CC)CC(=O)N(C)C	ZINC000645076686	386703762	/nfs/dbraw/zinc/70/37/62/386703762.db2.gz	BLFSVNKXFCYVBW-UHFFFAOYSA-N	0	1	214.309	0.599	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000185707192	386717731	/nfs/dbraw/zinc/71/77/31/386717731.db2.gz	DLYDJDPKGRQRQX-RYUDHWBXSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000330468739	386726211	/nfs/dbraw/zinc/72/62/11/386726211.db2.gz	YYNGEPFJJZUOLD-RKDXNWHRSA-N	0	1	247.302	0.718	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000330468739	386726217	/nfs/dbraw/zinc/72/62/17/386726217.db2.gz	YYNGEPFJJZUOLD-RKDXNWHRSA-N	0	1	247.302	0.718	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000185948896	386728236	/nfs/dbraw/zinc/72/82/36/386728236.db2.gz	ADDWYSVRJABPDE-GFCCVEGCSA-N	0	1	240.347	0.772	20	30		BCEDMN
Cc1cc(C[C@@H](C)NC(=O)N(C)CCO)n[nH]1	ZINC000330574143	386792740	/nfs/dbraw/zinc/79/27/40/386792740.db2.gz	LDLGIZKMDPZULW-MRVPVSSYSA-N	0	1	240.307	0.487	20	30		BCEDMN
C=CCCS(=O)(=O)N1C[C@H]2CCN(C)[C@H]2C1	ZINC000334636506	386771298	/nfs/dbraw/zinc/77/12/98/386771298.db2.gz	XNMPSKQCWJXJDH-MNOVXSKESA-N	0	1	244.360	0.528	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2cn(C)nc2C)n1	ZINC000330625646	386822678	/nfs/dbraw/zinc/82/26/78/386822678.db2.gz	UBOZBKWSSNDTCP-UHFFFAOYSA-N	0	1	248.290	0.702	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@H](O)CCC)C1=O	ZINC000450909854	386831955	/nfs/dbraw/zinc/83/19/55/386831955.db2.gz	UGQHXMLONKHDQN-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@@H](NC(=O)Nc1cnn(C)c1)c1nnc[nH]1	ZINC000330708240	386860182	/nfs/dbraw/zinc/86/01/82/386860182.db2.gz	QNCPYUSWZFCSIN-ZCFIWIBFSA-N	0	1	235.251	0.625	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN1C	ZINC000330707307	386861237	/nfs/dbraw/zinc/86/12/37/386861237.db2.gz	PKFRZOZBSOPFLJ-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)CCc1cnc[nH]1	ZINC000330724985	386869981	/nfs/dbraw/zinc/86/99/81/386869981.db2.gz	DNTDTQTWULWEGG-VIFPVBQESA-N	0	1	220.276	0.960	20	30		BCEDMN
N#C[C@@H]1CCC[C@H]1NCCN1C(=O)CNC1=O	ZINC000330816220	386896303	/nfs/dbraw/zinc/89/63/03/386896303.db2.gz	GFMHECPBURKLKB-DTWKUNHWSA-N	0	1	236.275	0.024	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnc(N(C)C)n1C	ZINC000425383407	387033570	/nfs/dbraw/zinc/03/35/70/387033570.db2.gz	PIDWNCRQPOQJMM-VIFPVBQESA-N	0	1	224.308	0.123	20	30		BCEDMN
C=CCN1CC[C@@H](NC(C)(C)C[NH+](C)C)C1=O	ZINC000459569368	387060751	/nfs/dbraw/zinc/06/07/51/387060751.db2.gz	XXNOOINGRCIPSD-LLVKDONJSA-N	0	1	239.363	0.703	20	30		BCEDMN
C=C(C)CN(CC)CCNS(=O)(=O)CC	ZINC000069219896	387116220	/nfs/dbraw/zinc/11/62/20/387116220.db2.gz	MILPELFPZPIJNM-UHFFFAOYSA-N	0	1	234.365	0.824	20	30		BCEDMN
N#CCCCC(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000571850292	387184199	/nfs/dbraw/zinc/18/41/99/387184199.db2.gz	VUJYZGZDHRWAGO-VIFPVBQESA-N	0	1	248.290	0.600	20	30		BCEDMN
C=C[C@H](CO)NCc1cnc2n[nH]c(C)c2c1	ZINC000352482208	387248636	/nfs/dbraw/zinc/24/86/36/387248636.db2.gz	SKFXGYLFAIIXMM-SNVBAGLBSA-N	0	1	232.287	0.903	20	30		BCEDMN
CN(CCNCCC#N)CC(F)(F)F	ZINC000572235600	387284304	/nfs/dbraw/zinc/28/43/04/387284304.db2.gz	BAWQDMFIBMKJNH-UHFFFAOYSA-N	0	1	209.215	0.984	20	30		BCEDMN
Cn1cc(CN2CC[C@H](O)C2)cc1C#N	ZINC000191236876	387355988	/nfs/dbraw/zinc/35/59/88/387355988.db2.gz	KTNCEWRGYAZWHL-NSHDSACASA-N	0	1	205.261	0.463	20	30		BCEDMN
C[C@@H](CCC#N)N1CCc2nn(C)c(=O)cc2C1	ZINC000515655919	387413427	/nfs/dbraw/zinc/41/34/27/387413427.db2.gz	WPUVNOPUHGZXLQ-JTQLQIEISA-N	0	1	246.314	0.831	20	30		BCEDMN
C=C(CC)CNCc1ccc(S(N)(=O)=O)o1	ZINC000313531688	387421758	/nfs/dbraw/zinc/42/17/58/387421758.db2.gz	FXQLOQRSLHFMJG-UHFFFAOYSA-N	0	1	244.316	0.983	20	30		BCEDMN
C=C(C)CCN1CCO[C@H](C(=O)NC)C1	ZINC000274850865	387495624	/nfs/dbraw/zinc/49/56/24/387495624.db2.gz	QYCAQWZIRWLAJO-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C#C[C@@H](C)N[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000274844853	387495961	/nfs/dbraw/zinc/49/59/61/387495961.db2.gz	XGXQMUPHPKNJQS-BXKDBHETSA-N	0	1	234.274	0.833	20	30		BCEDMN
CCN(C)C(=O)CNCc1cc(C#N)n(C)c1	ZINC000191616710	387500585	/nfs/dbraw/zinc/50/05/85/387500585.db2.gz	GLVJXQQAMAOLRF-UHFFFAOYSA-N	0	1	234.303	0.465	20	30		BCEDMN
CC#CCCNC(=O)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000425749485	387527871	/nfs/dbraw/zinc/52/78/71/387527871.db2.gz	YOPBBZDJAHSLPD-SNVBAGLBSA-N	0	1	247.302	0.717	20	30		BCEDMN
N#CCc1ccc(CN2CCOC[C@@H](O)C2)cc1	ZINC000399989147	387581340	/nfs/dbraw/zinc/58/13/40/387581340.db2.gz	ORBZJKSHAOWNDY-AWEZNQCLSA-N	0	1	246.310	0.946	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NO[C@H]1CCCCO1	ZINC000278956486	387556662	/nfs/dbraw/zinc/55/66/62/387556662.db2.gz	WDZBQQGJDBGVHH-QWRGUYRKSA-N	0	1	229.276	0.888	20	30		BCEDMN
C=C(C)CS(=O)(=O)NC[C@H](C)N(C)C	ZINC000451926107	387682153	/nfs/dbraw/zinc/68/21/53/387682153.db2.gz	HPMOGRVEORUXGL-VIFPVBQESA-N	0	1	220.338	0.432	20	30		BCEDMN
CN(C)CC(=O)NCc1ccc(C#N)cc1	ZINC000169810661	387871082	/nfs/dbraw/zinc/87/10/82/387871082.db2.gz	UTPJIJOBOZBYSK-UHFFFAOYSA-N	0	1	217.272	0.736	20	30		BCEDMN
COCCCN(CCO)CC1(C#N)CC1	ZINC000446071309	387993297	/nfs/dbraw/zinc/99/32/97/387993297.db2.gz	MBOVGZJJMMEGBS-UHFFFAOYSA-N	0	1	212.293	0.621	20	30		BCEDMN
COC[C@@H](C(N)=O)N(C)CCCCC#N	ZINC000339367095	135072225	/nfs/dbraw/zinc/07/22/25/135072225.db2.gz	SLUIPYWMRXSLIL-VIFPVBQESA-N	0	1	213.281	0.112	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCOCC)CC1	ZINC000490865326	388257578	/nfs/dbraw/zinc/25/75/78/388257578.db2.gz	ASFPYBXBPSWOQU-UHFFFAOYSA-N	0	1	239.315	0.911	20	30		BCEDMN
C=CCC[C@@H](NC(=O)CN(C)C)C(=O)OCC	ZINC000456637149	388211805	/nfs/dbraw/zinc/21/18/05/388211805.db2.gz	YWEXFZPZPYYTCF-SNVBAGLBSA-N	0	1	242.319	0.562	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN1C	ZINC000456762695	388219203	/nfs/dbraw/zinc/21/92/03/388219203.db2.gz	CICRFORVBQAHFN-MNOVXSKESA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCN(C2CCC2)CC1	ZINC000490656731	388246163	/nfs/dbraw/zinc/24/61/63/388246163.db2.gz	MDLONENWGGRXFB-LBPRGKRZSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1cn[nH]c1C	ZINC000292479857	256634552	/nfs/dbraw/zinc/63/45/52/256634552.db2.gz	QAVJOPIXSBAXAV-ZETCQYMHSA-N	0	1	206.249	0.539	20	30		BCEDMN
C#CCNC(=O)N1CCN([C@H](C)CC)CC1	ZINC000491371185	388289320	/nfs/dbraw/zinc/28/93/20/388289320.db2.gz	DAYQFTWMTACCLU-LLVKDONJSA-N	0	1	223.320	0.745	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)CN(C)[C@H]1CCSC1	ZINC000491405408	388292515	/nfs/dbraw/zinc/29/25/15/388292515.db2.gz	IPSLDHMIFKRMNE-MNOVXSKESA-N	0	1	240.372	0.904	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1cccc(F)c1	ZINC000491417221	388293096	/nfs/dbraw/zinc/29/30/96/388293096.db2.gz	MUGHJIJTWGGSDG-VXGBXAGGSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@H](C)N1CC(C)C1	ZINC000491484738	388295220	/nfs/dbraw/zinc/29/52/20/388295220.db2.gz	KTEMTFISESKMSN-MNOVXSKESA-N	0	1	208.305	0.807	20	30		BCEDMN
C#CCNC(=O)CCNCc1cnc(CCC)o1	ZINC000491450468	388295309	/nfs/dbraw/zinc/29/53/09/388295309.db2.gz	ARBGSFAJPZHCBP-UHFFFAOYSA-N	0	1	249.314	0.856	20	30		BCEDMN
C#C[C@H]1COCCN1Cc1n[nH]c(C(C)C)n1	ZINC000491626710	388305804	/nfs/dbraw/zinc/30/58/04/388305804.db2.gz	KLNGPASWDNJLBX-JTQLQIEISA-N	0	1	234.303	0.762	20	30		BCEDMN
C#CCN(C)CCN1C[C@H]2CC[C@@H](C1)O2	ZINC000491652649	388308159	/nfs/dbraw/zinc/30/81/59/388308159.db2.gz	BIFPBKFFENEMRF-TXEJJXNPSA-N	0	1	208.305	0.415	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CCC(C)CC2)C1=O	ZINC000491672501	388309723	/nfs/dbraw/zinc/30/97/23/388309723.db2.gz	SAWDEEXJVMGQJE-NSHDSACASA-N	0	1	234.299	0.479	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)OC[C@@H]1CCCN1CC#C	ZINC000491672276	388309888	/nfs/dbraw/zinc/30/98/88/388309888.db2.gz	ROXHWZMSBQGDHT-STQMWFEESA-N	0	1	249.310	0.666	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1cnn(C)c1C	ZINC000491703784	388312900	/nfs/dbraw/zinc/31/29/00/388312900.db2.gz	XQBHMSGCPLDOIK-UHFFFAOYSA-N	0	1	248.330	0.300	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccc(F)cc1C	ZINC000491715594	388314224	/nfs/dbraw/zinc/31/42/24/388314224.db2.gz	KMXFLGUSNCGSJK-WCQYABFASA-N	0	1	237.274	0.751	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccc(F)cc1C	ZINC000491715593	388314278	/nfs/dbraw/zinc/31/42/78/388314278.db2.gz	KMXFLGUSNCGSJK-DGCLKSJQSA-N	0	1	237.274	0.751	20	30		BCEDMN
C#CCNC(=O)CCNCc1cccc(F)n1	ZINC000491725752	388315005	/nfs/dbraw/zinc/31/50/05/388315005.db2.gz	IFSZITKXIQKANX-UHFFFAOYSA-N	0	1	235.262	0.450	20	30		BCEDMN
C#C[C@@H](NC(=O)N1CCN[C@@H](C)C1)C(C)C	ZINC000491730789	388315594	/nfs/dbraw/zinc/31/55/94/388315594.db2.gz	HYPSTIYXJNKNCL-WDEREUQCSA-N	0	1	223.320	0.648	20	30		BCEDMN
C#CCNC(=O)CCNCc1snnc1C	ZINC000491738517	388316530	/nfs/dbraw/zinc/31/65/30/388316530.db2.gz	FZMFUUUFYFVULW-UHFFFAOYSA-N	0	1	238.316	0.076	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NCc1cn[nH]c1C	ZINC000491747151	388317400	/nfs/dbraw/zinc/31/74/00/388317400.db2.gz	PGXYFICJWKSJLJ-SNVBAGLBSA-N	0	1	220.276	0.929	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC000491775719	388319563	/nfs/dbraw/zinc/31/95/63/388319563.db2.gz	VJMSXSUEYLMHDG-WDEREUQCSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCNC(=O)NCc1n[nH]c(C(C)(C)C)n1	ZINC000491805544	388321752	/nfs/dbraw/zinc/32/17/52/388321752.db2.gz	OIPNZZGMWFEKMV-UHFFFAOYSA-N	0	1	235.291	0.535	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@H]1CC	ZINC000491808206	388322499	/nfs/dbraw/zinc/32/24/99/388322499.db2.gz	VOEZPTZSCUBDNC-SNVBAGLBSA-N	0	1	209.293	0.355	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CC)C1	ZINC000491810449	388322694	/nfs/dbraw/zinc/32/26/94/388322694.db2.gz	IMAZPHWLIYAMLB-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCCO[C@H](CC)C1	ZINC000491810446	388322778	/nfs/dbraw/zinc/32/27/78/388322778.db2.gz	IMAZPHWLIYAMLB-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2[C@@H](C)C[C@@H]2C)CC1	ZINC000491039370	388265837	/nfs/dbraw/zinc/26/58/37/388265837.db2.gz	OERIEDLEMNTSBV-STQMWFEESA-N	0	1	249.358	0.247	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](CC)C1	ZINC000491120786	388271355	/nfs/dbraw/zinc/27/13/55/388271355.db2.gz	NTVHCEJJMRSCAR-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1cnn(CC)c1	ZINC000491154783	388273362	/nfs/dbraw/zinc/27/33/62/388273362.db2.gz	MAJDCFIOFQTNFO-UHFFFAOYSA-N	0	1	248.330	0.474	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC[C@H]1CC	ZINC000491201341	388276156	/nfs/dbraw/zinc/27/61/56/388276156.db2.gz	GSBRWWSFFIECIW-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCN1CCN(C(=O)CN2C[C@H](C)[C@@H]2C)CC1	ZINC000491210008	388277995	/nfs/dbraw/zinc/27/79/95/388277995.db2.gz	OWILSHKRGOCKLH-STQMWFEESA-N	0	1	249.358	0.104	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](NC(N)=O)C2)c1	ZINC000270577877	388359138	/nfs/dbraw/zinc/35/91/38/388359138.db2.gz	CHJOXOUKAXUPOQ-LBPRGKRZSA-N	0	1	244.298	0.801	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN1CCC(C)(C)C1	ZINC000572778235	388375905	/nfs/dbraw/zinc/37/59/05/388375905.db2.gz	BPYNJWAIKQEKTD-JTQLQIEISA-N	0	1	223.320	0.994	20	30		BCEDMN
CCNC(=O)CN(CC)CCOCCC#N	ZINC000338892594	388478157	/nfs/dbraw/zinc/47/81/57/388478157.db2.gz	PSVKQXDRSNECDG-UHFFFAOYSA-N	0	1	227.308	0.375	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(CC2CC2)CC1	ZINC000646691278	388418703	/nfs/dbraw/zinc/41/87/03/388418703.db2.gz	UTZRHPVPYLHJNK-NSHDSACASA-N	0	1	224.304	0.088	20	30		BCEDMN
OCC(CO)NCC#Cc1ccc(F)cc1	ZINC000517171603	388540387	/nfs/dbraw/zinc/54/03/87/388540387.db2.gz	OQVIPXBJNDQDAU-UHFFFAOYSA-N	0	1	223.247	0.120	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)NCCc1nc[nH]n1	ZINC000517039733	256812795	/nfs/dbraw/zinc/81/27/95/256812795.db2.gz	HIWILXZDALETOZ-UHFFFAOYSA-N	0	1	244.258	0.285	20	30		BCEDMN
C=C[C@@H](O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000530026459	388605731	/nfs/dbraw/zinc/60/57/31/388605731.db2.gz	IPABDHBMYLDWDZ-VXGBXAGGSA-N	0	1	238.331	0.666	20	30		BCEDMN
CO[C@H]1CN(Cc2cc(C#N)n(C)c2)C[C@@H]1OC	ZINC000488593316	388583002	/nfs/dbraw/zinc/58/30/02/388583002.db2.gz	SVQOLEUKFUKFHQ-STQMWFEESA-N	0	1	249.314	0.742	20	30		BCEDMN
CNC(=O)[C@@H](NCc1ccc(C#N)cn1)C(C)C	ZINC000520604561	388669311	/nfs/dbraw/zinc/66/93/11/388669311.db2.gz	TZQGHQYFUOGKRH-LBPRGKRZSA-N	0	1	246.314	0.813	20	30		BCEDMN
C=CCN1CCC(CS(N)(=O)=O)CC1	ZINC000089991270	388744098	/nfs/dbraw/zinc/74/40/98/388744098.db2.gz	XKNOIFBCCDOHSN-UHFFFAOYSA-N	0	1	218.322	0.173	20	30		BCEDMN
CCN(CC)CC(=O)Nc1n[nH]c(C)c1C#N	ZINC000278581478	388755676	/nfs/dbraw/zinc/75/56/76/388755676.db2.gz	JNTCEGYOKDVJLD-UHFFFAOYSA-N	0	1	235.291	0.870	20	30		BCEDMN
Cc1cc(N(C)Cc2n[nH]c(=O)o2)c(C#N)cn1	ZINC000425283606	388703400	/nfs/dbraw/zinc/70/34/00/388703400.db2.gz	PGSNKXFFCVLROT-UHFFFAOYSA-N	0	1	245.242	0.987	20	30		BCEDMN
C=C(C)CC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000229078393	388779559	/nfs/dbraw/zinc/77/95/59/388779559.db2.gz	GVOAVUKPTKXLTE-ZJUUUORDSA-N	0	1	213.277	0.561	20	30		BCEDMN
C=C(C)CCN1C[C@H](O)C[C@H]1C(=O)OC	ZINC000229078393	388779565	/nfs/dbraw/zinc/77/95/65/388779565.db2.gz	GVOAVUKPTKXLTE-ZJUUUORDSA-N	0	1	213.277	0.561	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000541017244	388836883	/nfs/dbraw/zinc/83/68/83/388836883.db2.gz	DCZXAXMQQNOTME-GMTAPVOTSA-N	0	1	238.335	0.928	20	30		BCEDMN
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CC#CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000336095084	134080266	/nfs/dbraw/zinc/08/02/66/134080266.db2.gz	HIHXRGJOMICDFX-GFCCVEGCSA-N	0	1	237.347	0.991	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000336155777	134105765	/nfs/dbraw/zinc/10/57/65/134105765.db2.gz	NCGXFRINQZOFSS-QWRGUYRKSA-N	0	1	246.376	0.965	20	30		BCEDMN
CC1(C#N)CCN([C@@H]2CCCNC2=O)CC1	ZINC000336360870	134144948	/nfs/dbraw/zinc/14/49/48/134144948.db2.gz	JRUJULWNSAVWAM-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
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C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC#N	ZINC000251679917	135073622	/nfs/dbraw/zinc/07/36/22/135073622.db2.gz	HTOZGFXAKSYGCG-MNOVXSKESA-N	0	1	221.304	0.985	20	30		BCEDMN
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C[C@H](O)CCN(C)CC(=O)NC1(C#N)CCC1	ZINC000332066177	135079218	/nfs/dbraw/zinc/07/92/18/135079218.db2.gz	RXWFRMPBKRXLCU-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
CC#CCN(C)CCCS(=O)(=O)N(C)C	ZINC000339751302	135080160	/nfs/dbraw/zinc/08/01/60/135080160.db2.gz	RJNXLUYQGZNJEX-UHFFFAOYSA-N	0	1	232.349	0.223	20	30		BCEDMN
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CO[C@@H](C)CN1CCCC[C@H]1C(N)=NO	ZINC000252830720	135112116	/nfs/dbraw/zinc/11/21/16/135112116.db2.gz	XVPLKQYHJFIBBZ-IUCAKERBSA-N	0	1	215.297	0.622	20	30		BCEDMN
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C#C[C@H](C)[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000491507146	398044322	/nfs/dbraw/zinc/04/43/22/398044322.db2.gz	UDRCRCMXQAPWFW-VIFPVBQESA-N	0	1	230.271	0.476	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N(C)CC1CN(C)C1	ZINC000598158409	398027650	/nfs/dbraw/zinc/02/76/50/398027650.db2.gz	GZXJQKACMJRSBT-JTQLQIEISA-N	0	1	209.293	0.556	20	30		BCEDMN
C=CCNC(=O)CN1CCC(C2(O)CC2)CC1	ZINC000649675174	398032536	/nfs/dbraw/zinc/03/25/36/398032536.db2.gz	PSCUOVDQLJCULI-UHFFFAOYSA-N	0	1	238.331	0.526	20	30		BCEDMN
COCC#CCN1CCC(C2(O)CC2)CC1	ZINC000649671258	398032547	/nfs/dbraw/zinc/03/25/47/398032547.db2.gz	OTLQRZVDDMCBSE-UHFFFAOYSA-N	0	1	223.316	0.873	20	30		BCEDMN
C#CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000491230135	398034420	/nfs/dbraw/zinc/03/44/20/398034420.db2.gz	LAXCCWAYGJMSGA-SECBINFHSA-N	0	1	244.210	0.346	20	30		BCEDMN
CN(CC1(C#N)CC1)C1(CO)CCOCC1	ZINC000362049510	397980001	/nfs/dbraw/zinc/98/00/01/397980001.db2.gz	WMOLXYHJVUVZIF-UHFFFAOYSA-N	0	1	224.304	0.763	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000259691088	397987388	/nfs/dbraw/zinc/98/73/88/397987388.db2.gz	AVABFTZIASWABI-GARJFASQSA-N	0	1	221.304	0.889	20	30		BCEDMN
CC(C)c1nc(Cn2cnc(C#N)n2)n[nH]1	ZINC000291568591	398097248	/nfs/dbraw/zinc/09/72/48/398097248.db2.gz	CYDNMUVTORMQCF-UHFFFAOYSA-N	0	1	217.236	0.440	20	30		BCEDMN
CCC#C[C@H](C)N1CCN2CCOC[C@H]2C1	ZINC000680431131	487592454	/nfs/dbraw/zinc/59/24/54/487592454.db2.gz	ZPUURSDGGZRXCY-QWHCGFSZSA-N	0	1	222.332	0.805	20	30		BCEDMN
C#CCC(C)(C)C(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000274764847	166113427	/nfs/dbraw/zinc/11/34/27/166113427.db2.gz	KNUHBKKFWGUBKV-SECBINFHSA-N	0	1	249.318	0.811	20	30		BCEDMN
C#CCCCC(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000277410729	166117706	/nfs/dbraw/zinc/11/77/06/166117706.db2.gz	TYNJKJSSYBEBRP-VIFPVBQESA-N	0	1	235.291	0.565	20	30		BCEDMN
C#CCCCC(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000277410729	166117709	/nfs/dbraw/zinc/11/77/09/166117709.db2.gz	TYNJKJSSYBEBRP-VIFPVBQESA-N	0	1	235.291	0.565	20	30		BCEDMN
C#CCCCCC(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000274764683	166121259	/nfs/dbraw/zinc/12/12/59/166121259.db2.gz	KFXALCFGWQQHIS-JTQLQIEISA-N	0	1	249.318	0.955	20	30		BCEDMN
C#CCCN1CCC(O)(C(=O)OCC)CC1	ZINC000270576952	166136386	/nfs/dbraw/zinc/13/63/86/166136386.db2.gz	HWTSIRCHBGQXEM-UHFFFAOYSA-N	0	1	225.288	0.400	20	30		BCEDMN
C#CCCN1CC(=O)N[C@H]2CCCC[C@H]21	ZINC000270657495	166136460	/nfs/dbraw/zinc/13/64/60/166136460.db2.gz	VBORIEAVLGBDMP-WDEREUQCSA-N	0	1	206.289	0.753	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1CCCN1C	ZINC000267691653	166162033	/nfs/dbraw/zinc/16/20/33/166162033.db2.gz	RNLSTBJSIJKVKU-LLVKDONJSA-N	0	1	204.273	0.176	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000270893217	166162630	/nfs/dbraw/zinc/16/26/30/166162630.db2.gz	CZSBVTKUTXTAGV-ZDUSSCGKSA-N	0	1	248.326	0.050	20	30		BCEDMN
C#CCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000270593801	166178897	/nfs/dbraw/zinc/17/88/97/166178897.db2.gz	UCOITLYKTPYCMR-ZETCQYMHSA-N	0	1	221.264	0.361	20	30		BCEDMN
C#CCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000178464277	166181063	/nfs/dbraw/zinc/18/10/63/166181063.db2.gz	ZYLFSMHWUUVTDN-MRVPVSSYSA-N	0	1	220.276	0.582	20	30		BCEDMN
C#CCNC(=O)c1cnccc1N(C)C	ZINC000273550000	166186974	/nfs/dbraw/zinc/18/69/74/166186974.db2.gz	VKTJBWPQFZVABE-UHFFFAOYSA-N	0	1	203.245	0.511	20	30		BCEDMN
C#C[C@H](C)NCc1cnc2cnccn12	ZINC000289563759	166217209	/nfs/dbraw/zinc/21/72/09/166217209.db2.gz	RXVZNWVIDGFCNY-VIFPVBQESA-N	0	1	200.245	0.841	20	30		BCEDMN
C=CCC[N@H+](C)[C@@H](C)C(=O)NCC(=O)OC	ZINC000276390700	166259936	/nfs/dbraw/zinc/25/99/36/166259936.db2.gz	JFIYYUYNJCQTEZ-VIFPVBQESA-N	0	1	228.292	0.172	20	30		BCEDMN
C=CCCN(CCOC)CC(=O)N(C)C	ZINC000157165991	166262823	/nfs/dbraw/zinc/26/28/23/166262823.db2.gz	BSXGWEBCLZMVTD-UHFFFAOYSA-N	0	1	214.309	0.599	20	30		BCEDMN
C=CCN(CC=C)Cc1cn(C)c(=O)n(C)c1=O	ZINC000179514484	166337876	/nfs/dbraw/zinc/33/78/76/166337876.db2.gz	CWRGBTCVAKBYQZ-UHFFFAOYSA-N	0	1	249.314	0.258	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000032015186	166364598	/nfs/dbraw/zinc/36/45/98/166364598.db2.gz	OVONRNUVBWJEJD-SECBINFHSA-N	0	1	226.276	0.085	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CCC)CC(=O)[O-]	ZINC000038021860	166364620	/nfs/dbraw/zinc/36/46/20/166364620.db2.gz	WEJRGGPEXNGHFL-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CCC)CC(=O)[O-]	ZINC000038021860	166364621	/nfs/dbraw/zinc/36/46/21/166364621.db2.gz	WEJRGGPEXNGHFL-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C=CCNC(=O)CN1CCCOC(C)(C)C1	ZINC000377255088	166366645	/nfs/dbraw/zinc/36/66/45/166366645.db2.gz	HFTBSQQJBNOSGE-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@](C)(C(=O)OC)C1	ZINC000177463546	166368770	/nfs/dbraw/zinc/36/87/70/166368770.db2.gz	YZKPWMIMTCJRFJ-GFCCVEGCSA-N	0	1	240.303	0.174	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1C	ZINC000016484626	166375741	/nfs/dbraw/zinc/37/57/41/166375741.db2.gz	YEPGVJSLXGEAPJ-JTQLQIEISA-N	0	1	239.319	0.873	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](O)C1	ZINC000048776069	166381884	/nfs/dbraw/zinc/38/18/84/166381884.db2.gz	VQEAXYZJNAPEMI-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](O)C1	ZINC000048776069	166381888	/nfs/dbraw/zinc/38/18/88/166381888.db2.gz	VQEAXYZJNAPEMI-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1	ZINC000178756572	166382851	/nfs/dbraw/zinc/38/28/51/166382851.db2.gz	NLYCWQVXPCKBOC-MNOVXSKESA-N	0	1	226.320	0.645	20	30		BCEDMN
CN(C)CC(=O)NCc1ccc(C#N)c(F)c1	ZINC000404578365	411169995	/nfs/dbraw/zinc/16/99/95/411169995.db2.gz	VCEGKGHMCSATTP-UHFFFAOYSA-N	0	1	235.262	0.875	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)[C@]2(C)CNCCO2)C1	ZINC000602532207	411296118	/nfs/dbraw/zinc/29/61/18/411296118.db2.gz	DYNFFMPSJTUWSK-NEPJUHHUSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000654296564	411368106	/nfs/dbraw/zinc/36/81/06/411368106.db2.gz	WKCVCTXBWKZPCM-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CCOCC[N@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000659802546	411458790	/nfs/dbraw/zinc/45/87/90/411458790.db2.gz	XXIOJFFWNPNYLW-AOOOYVTPSA-N	0	1	213.277	0.984	20	30		BCEDMN
C=CCCn1cc(CN[C@H](C)[C@@H](C)CO)nn1	ZINC000653615292	411441067	/nfs/dbraw/zinc/44/10/67/411441067.db2.gz	ATXLCKWLIUCDDB-WDEREUQCSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCCn1cc(CN[C@H](C)CCO)nn1	ZINC000657368708	411480074	/nfs/dbraw/zinc/48/00/74/411480074.db2.gz	RPFPSRJQTXKRGL-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](O)C2CC2)nn1	ZINC000657369335	411480124	/nfs/dbraw/zinc/48/01/24/411480124.db2.gz	ZAJBICQQGRUGCS-LBPRGKRZSA-N	0	1	236.319	0.715	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](C)CCO)nn1	ZINC000657381654	411488186	/nfs/dbraw/zinc/48/81/86/411488186.db2.gz	HDEPMOLZSYWTSO-NSHDSACASA-N	0	1	238.335	0.962	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000655136762	411502564	/nfs/dbraw/zinc/50/25/64/411502564.db2.gz	BVYKNMDENGTLKA-VXGBXAGGSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCOCCCNCc1cn(C)nn1	ZINC000657657771	411571947	/nfs/dbraw/zinc/57/19/47/411571947.db2.gz	BTBVDLSGCRAXCC-UHFFFAOYSA-N	0	1	210.281	0.497	20	30		BCEDMN
C=CCNC(=O)CN1CCC[N@H+](CC)C[C@@H]1C	ZINC000660792668	411635407	/nfs/dbraw/zinc/63/54/07/411635407.db2.gz	FHKFCJYWZHUDCB-LBPRGKRZSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=C[C@H](CO)NC(=O)NCc1cc(C)[nH]n1	ZINC000660716729	411618617	/nfs/dbraw/zinc/61/86/17/411618617.db2.gz	XXLZPDMOESOQAL-MRVPVSSYSA-N	0	1	224.264	0.064	20	30		BCEDMN
CCc1nc(C#N)cc(NCc2cc(C)[nH]n2)n1	ZINC000596126353	411782411	/nfs/dbraw/zinc/78/24/11/411782411.db2.gz	LDPYSLQLVLIWPU-UHFFFAOYSA-N	0	1	242.286	1.554	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1	ZINC000661702476	411847384	/nfs/dbraw/zinc/84/73/84/411847384.db2.gz	PZJJFAUTIREODI-JQWIXIFHSA-N	0	1	224.304	0.257	20	30		BCEDMN
CNC(=O)N[C@@H]1CCN(Cc2ccnc(N)c2)C1	ZINC000331111838	411848427	/nfs/dbraw/zinc/84/84/27/411848427.db2.gz	BZWLHBAXUCMAQY-SNVBAGLBSA-N	0	1	249.318	0.372	20	30		BCEDMN
C=CCC[C@H](O)CN1CCc2cnc(N)nc2C1	ZINC000623293878	411848732	/nfs/dbraw/zinc/84/87/32/411848732.db2.gz	JWFGVZAPRWPNHY-NSHDSACASA-N	0	1	248.330	0.744	20	30		BCEDMN
C#CCN1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000368456034	411849807	/nfs/dbraw/zinc/84/98/07/411849807.db2.gz	WSGJRUABVKGXCF-SNVBAGLBSA-N	0	1	216.288	0.871	20	30		BCEDMN
C=C[C@H](CO)Nc1nc(N)nc2c1CCCC2	ZINC000664605921	411996395	/nfs/dbraw/zinc/99/63/95/411996395.db2.gz	QIRBKHKADXMSAO-MRVPVSSYSA-N	0	1	234.303	0.896	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](C)[C@](C)(CO)C1	ZINC000662138505	411999952	/nfs/dbraw/zinc/99/99/52/411999952.db2.gz	WTXQJDZMJNDEEZ-JQWIXIFHSA-N	0	1	226.320	0.239	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NC1CCC(C)CC1	ZINC000662165740	412014175	/nfs/dbraw/zinc/01/41/75/412014175.db2.gz	NNBRVRIUPTYXPI-MOENNCHZSA-N	0	1	240.347	0.818	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N1CCC(C)CC1	ZINC000662167988	412015497	/nfs/dbraw/zinc/01/54/97/412015497.db2.gz	WTGPSTAZGAMWSZ-VXGBXAGGSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(=O)c(OC)co1	ZINC000662167291	412015890	/nfs/dbraw/zinc/01/58/90/412015890.db2.gz	YRUCTXZLVGIDKN-MRVPVSSYSA-N	0	1	225.244	0.285	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C)Cc1ccco1	ZINC000662167985	412016111	/nfs/dbraw/zinc/01/61/11/412016111.db2.gz	WPCVKYQGYNMOFL-SNVBAGLBSA-N	0	1	238.287	0.375	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCC1CCCCC1	ZINC000662168127	412016639	/nfs/dbraw/zinc/01/66/39/412016639.db2.gz	YXUWTFJOZLNZCF-GFCCVEGCSA-N	0	1	240.347	0.819	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O	ZINC000662168940	412018006	/nfs/dbraw/zinc/01/80/06/412018006.db2.gz	ZOSKESXWZQMKTK-IRCOFANPSA-N	0	1	238.331	0.570	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000044828224	171217736	/nfs/dbraw/zinc/21/77/36/171217736.db2.gz	DFSYJRZFMCCFOT-ZJUUUORDSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCCN(C)CC1	ZINC000665161273	412115635	/nfs/dbraw/zinc/11/56/35/412115635.db2.gz	BITQNULUYMMYCK-LLVKDONJSA-N	0	1	212.293	0.088	20	30		BCEDMN
CC(C)[C@@H](C(=O)Nc1n[nH]cc1C#N)N(C)C	ZINC000601640559	412309379	/nfs/dbraw/zinc/30/93/79/412309379.db2.gz	ZJUZYXNWNRORFP-VIFPVBQESA-N	0	1	235.291	0.806	20	30		BCEDMN
C=CC[C@H]1CCCN(C(=O)C2(O)CNC2)C1	ZINC000662858179	412327201	/nfs/dbraw/zinc/32/72/01/412327201.db2.gz	VTMOMRDFNCFBMM-JTQLQIEISA-N	0	1	224.304	0.135	20	30		BCEDMN
CCc1nocc1CNCCn1cnc(C#N)n1	ZINC000339394475	172099421	/nfs/dbraw/zinc/09/94/21/172099421.db2.gz	SQEZLTRADSSGKS-UHFFFAOYSA-N	0	1	246.274	0.490	20	30		BCEDMN
CN(C)C(=O)CNCc1ccc(C#N)s1	ZINC000135495481	172370019	/nfs/dbraw/zinc/37/00/19/172370019.db2.gz	WUVJECJBSMHDNH-UHFFFAOYSA-N	0	1	223.301	0.798	20	30		BCEDMN
CN(Cc1nnc[nH]1)c1ccc(C#N)cn1	ZINC000301348583	172937631	/nfs/dbraw/zinc/93/76/31/172937631.db2.gz	JIYYELLKIATOOI-UHFFFAOYSA-N	0	1	214.232	0.708	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ccc(C#N)nc2)C1	ZINC000226800432	173077475	/nfs/dbraw/zinc/07/74/75/173077475.db2.gz	NVRLWLDHMHMDIO-ZDUSSCGKSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(CCNc2ncccc2C#N)CC1	ZINC000037497034	173081624	/nfs/dbraw/zinc/08/16/24/173081624.db2.gz	HQSKFWDGMMLFIJ-UHFFFAOYSA-N	0	1	245.330	0.613	20	30		BCEDMN
CN1C[C@H](NCc2cc(C#N)cs2)CC1=O	ZINC000309427403	173194764	/nfs/dbraw/zinc/19/47/64/173194764.db2.gz	XHYPFWPYNYZLGK-SECBINFHSA-N	0	1	235.312	0.940	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1cccc(C#N)c1	ZINC000037749368	173303253	/nfs/dbraw/zinc/30/32/53/173303253.db2.gz	NNBAVINOWWRQMI-VIFPVBQESA-N	0	1	217.272	0.782	20	30		BCEDMN
C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278757444	176016866	/nfs/dbraw/zinc/01/68/66/176016866.db2.gz	MKVHEMKKUGJESV-TVYUQYBPSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@@H](c1cccc(C#N)c1)N1C[C@@H](O)[C@@H](O)C1	ZINC000278757444	176016867	/nfs/dbraw/zinc/01/68/67/176016867.db2.gz	MKVHEMKKUGJESV-TVYUQYBPSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H]1CN(c2ccc(C#N)cn2)CCN1CCO	ZINC000302453610	177276176	/nfs/dbraw/zinc/27/61/76/177276176.db2.gz	SPHGZDMPZXGAOK-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
N#Cc1ccc(CN2CCC(C(N)=O)CC2)o1	ZINC000505853277	226360507	/nfs/dbraw/zinc/36/05/07/226360507.db2.gz	JXBXSZVVMCYPKP-UHFFFAOYSA-N	0	1	233.271	0.849	20	30		BCEDMN
C#CCN(CC)C(=O)CCc1c[nH]nn1	ZINC000864989660	589403439	/nfs/dbraw/zinc/40/34/39/589403439.db2.gz	FQEJEHCKSGCGFH-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
C#CCN(CC)C(=O)CCc1cnn[nH]1	ZINC000864989660	589403440	/nfs/dbraw/zinc/40/34/40/589403440.db2.gz	FQEJEHCKSGCGFH-UHFFFAOYSA-N	0	1	206.249	0.219	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCO[C@]2(CCOC2)C1	ZINC000681098775	487722174	/nfs/dbraw/zinc/72/21/74/487722174.db2.gz	DOVKARFNYYKZHO-VXGBXAGGSA-N	0	1	227.304	0.415	20	30		BCEDMN
C=CCOCC[N@@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000385869136	487811435	/nfs/dbraw/zinc/81/14/35/487811435.db2.gz	YSBWDJZIHWZRKC-SNVBAGLBSA-N	0	1	213.277	0.986	20	30		BCEDMN
C#CCN1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000491771906	526935778	/nfs/dbraw/zinc/93/57/78/526935778.db2.gz	RRPRHEVQHPUDJS-NSHDSACASA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCN(CC(=O)NC(=O)NC)C(C)(C)C	ZINC000932465858	640538405	/nfs/dbraw/zinc/53/84/05/640538405.db2.gz	NXWSSZSHSWYHET-UHFFFAOYSA-N	0	1	225.292	0.176	20	30		BCEDMN
CCOCCN1CCN(CC#CCOC)CC1	ZINC000677133217	487892797	/nfs/dbraw/zinc/89/27/97/487892797.db2.gz	NKFWXDSKMMMSDK-UHFFFAOYSA-N	0	1	240.347	0.290	20	30		BCEDMN
C=CCOCC(=O)NCCCc1nc[nH]n1	ZINC000564735386	323013973	/nfs/dbraw/zinc/01/39/73/323013973.db2.gz	SKKQYZGSWPRAFQ-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N1CC(N(C)C)C1	ZINC000158481172	323015125	/nfs/dbraw/zinc/01/51/25/323015125.db2.gz	LVDWAHZHVJRUKA-SNVBAGLBSA-N	0	1	226.320	0.740	20	30		BCEDMN
Cc1cc(CC(=O)NC[C@@H](C)C#N)[nH]n1	ZINC000260270514	323029877	/nfs/dbraw/zinc/02/98/77/323029877.db2.gz	YBPPJHLPWOZQIH-ZETCQYMHSA-N	0	1	206.249	0.537	20	30		BCEDMN
CN(CCC(N)=O)Cc1ccc(C#N)cn1	ZINC000570824561	323071829	/nfs/dbraw/zinc/07/18/29/323071829.db2.gz	RUULHKPJDFBETG-UHFFFAOYSA-N	0	1	218.260	0.260	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCOCC2(CC2)C1	ZINC000491121349	323077113	/nfs/dbraw/zinc/07/71/13/323077113.db2.gz	QGHRHOWXPSPSMN-UHFFFAOYSA-N	0	1	236.315	0.238	20	30		BCEDMN
Cn1ccc(C(=O)NC2(C#N)CCN(C)CC2)c1	ZINC000531657012	323111177	/nfs/dbraw/zinc/11/11/77/323111177.db2.gz	MFSMUDNWUDJSEV-UHFFFAOYSA-N	0	1	246.314	0.743	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@](C)(COC)C1	ZINC000451195356	323142744	/nfs/dbraw/zinc/14/27/44/323142744.db2.gz	UKXXMWOCWIMTJL-LBPRGKRZSA-N	0	1	226.320	0.647	20	30		BCEDMN
C#CCN(CC(=O)NC(N)=O)C1CCCCC1	ZINC000049442258	323160783	/nfs/dbraw/zinc/16/07/83/323160783.db2.gz	DBXLANDUNPKTTC-UHFFFAOYSA-N	0	1	237.303	0.449	20	30		BCEDMN
C#CCN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000034745550	323203716	/nfs/dbraw/zinc/20/37/16/323203716.db2.gz	USSXAPFJKKEKTQ-UHFFFAOYSA-N	0	1	242.278	0.848	20	30		BCEDMN
N#CCNS(=O)(=O)c1c(F)cccc1F	ZINC000152469512	323334497	/nfs/dbraw/zinc/33/44/97/323334497.db2.gz	BLVPERFOWFWLJM-UHFFFAOYSA-N	0	1	232.211	0.767	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCSC	ZINC000152570037	324187460	/nfs/dbraw/zinc/18/74/60/324187460.db2.gz	AIFNCKSOPNMFJZ-VIFPVBQESA-N	0	1	214.334	0.419	20	30		BCEDMN
C=CCONC(=O)N1CCNC[C@H]1C(C)C	ZINC000529332981	324275323	/nfs/dbraw/zinc/27/53/23/324275323.db2.gz	UDMGTABQYAZZSF-JTQLQIEISA-N	0	1	227.308	0.743	20	30		BCEDMN
CN(C)Cc1ccc(C(=O)NC2(C#N)CC2)cn1	ZINC000550158404	325525069	/nfs/dbraw/zinc/52/50/69/325525069.db2.gz	VBSQGKDDCYFRAP-UHFFFAOYSA-N	0	1	244.298	0.929	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCNCC1	ZINC000566845597	326087262	/nfs/dbraw/zinc/08/72/62/326087262.db2.gz	QRCCWYCOULYITJ-MNOVXSKESA-N	0	1	239.319	0.335	20	30		BCEDMN
CNC(=O)CCCN(C)C[C@@H](C#N)CCC#N	ZINC000155360712	326193561	/nfs/dbraw/zinc/19/35/61/326193561.db2.gz	BLYXWVOYTSIUIA-LLVKDONJSA-N	0	1	236.319	0.888	20	30		BCEDMN
C=CCCn1cc(C(=O)Nc2nnc(C)[nH]2)nn1	ZINC000567703740	326248230	/nfs/dbraw/zinc/24/82/30/326248230.db2.gz	PITLPVUWGPQLGK-UHFFFAOYSA-N	0	1	247.262	0.533	20	30		BCEDMN
C=CCCn1cc(C(=O)Nc2nc(C)n[nH]2)nn1	ZINC000567703740	326248233	/nfs/dbraw/zinc/24/82/33/326248233.db2.gz	PITLPVUWGPQLGK-UHFFFAOYSA-N	0	1	247.262	0.533	20	30		BCEDMN
N#CCC[C@@H](C#N)CN[C@@H]1CCC[C@H]1O	ZINC000567873298	326274361	/nfs/dbraw/zinc/27/43/61/326274361.db2.gz	RKFVEDGDWQBTOH-HBNTYKKESA-N	0	1	207.277	0.933	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H](C)c1cn[nH]c1	ZINC000274136938	326283887	/nfs/dbraw/zinc/28/38/87/326283887.db2.gz	WTNBYJZJWDQSDG-BDAKNGLRSA-N	0	1	220.276	0.198	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C1	ZINC000568104987	326309069	/nfs/dbraw/zinc/30/90/69/326309069.db2.gz	KYGNRQZBKUTYDK-ZYHUDNBSSA-N	0	1	239.319	0.373	20	30		BCEDMN
C=CCCCCN1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000569315748	326399849	/nfs/dbraw/zinc/39/98/49/326399849.db2.gz	KLPGZZZUBWALRK-SNVBAGLBSA-N	0	1	237.303	0.579	20	30		BCEDMN
C=CCCOCC(=O)N1CCN2CCC1CC2	ZINC000682567432	487990057	/nfs/dbraw/zinc/99/00/57/487990057.db2.gz	IJASCQOQIWIHQI-UHFFFAOYSA-N	0	1	238.331	0.886	20	30		BCEDMN
C=CCOCC(=O)N1CCN(CC)[C@@H](C)C1	ZINC000677176905	487991334	/nfs/dbraw/zinc/99/13/34/487991334.db2.gz	SLPKEYHHEOQJGW-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000655161012	488005786	/nfs/dbraw/zinc/00/57/86/488005786.db2.gz	QVYLUTSLDIZYMR-RYUDHWBXSA-N	0	1	238.331	0.219	20	30		BCEDMN
C=CCNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000220523859	488057310	/nfs/dbraw/zinc/05/73/10/488057310.db2.gz	NZHDYQDELHBVHR-QMMMGPOBSA-N	0	1	205.261	0.817	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@H](C)N(C)C	ZINC000682970707	488074429	/nfs/dbraw/zinc/07/44/29/488074429.db2.gz	UEMXHQNEGWVQGE-JTQLQIEISA-N	0	1	214.309	0.598	20	30		BCEDMN
COCC#CCN1CCS[C@H]2COCC[C@H]21	ZINC000677820605	488136662	/nfs/dbraw/zinc/13/66/62/488136662.db2.gz	QXPAYXIIYLFPEP-NEPJUHHUSA-N	0	1	241.356	0.843	20	30		BCEDMN
C=CCOCCNC(=O)c1ccc(CN)o1	ZINC000304275503	487484826	/nfs/dbraw/zinc/48/48/26/487484826.db2.gz	WILAPNQVDAYCAO-UHFFFAOYSA-N	0	1	224.260	0.671	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C2(COC)CC2)C1=O	ZINC000685003238	487490592	/nfs/dbraw/zinc/49/05/92/487490592.db2.gz	RCPHTARCTOOUDM-NSHDSACASA-N	0	1	238.331	0.884	20	30		BCEDMN
CCC1(O)CCN(CC#CCOC)CC1	ZINC000677820487	487519957	/nfs/dbraw/zinc/51/99/57/487519957.db2.gz	OZFWJCLOBDGGQA-UHFFFAOYSA-N	0	1	211.305	0.873	20	30		BCEDMN
COCC#CCN(C)CCOCC1CC1	ZINC000677820742	488137546	/nfs/dbraw/zinc/13/75/46/488137546.db2.gz	UXNZKMZNTNUNGP-UHFFFAOYSA-N	0	1	211.305	0.995	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCc1cc(C)[nH]n1	ZINC000668732932	488174400	/nfs/dbraw/zinc/17/44/00/488174400.db2.gz	NEXNAUMDPAKTRD-SNVBAGLBSA-N	0	1	209.249	0.271	20	30		BCEDMN
C=CCOCCNC(=O)N1CCN[C@H](C)C1	ZINC000669555386	488216650	/nfs/dbraw/zinc/21/66/50/488216650.db2.gz	UQUOITHHOUTEKC-SNVBAGLBSA-N	0	1	227.308	0.192	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@H](C)O[C@@]2(CCOC2)C1	ZINC000684626640	488335459	/nfs/dbraw/zinc/33/54/59/488335459.db2.gz	LNGAVTLLTAGNJB-AVGNSLFASA-N	0	1	241.331	0.803	20	30		BCEDMN
C=CC[C@@]1(C(=O)N(C)Cc2nnc[n-]2)CCC[NH2+]1	ZINC000662736609	490145685	/nfs/dbraw/zinc/14/56/85/490145685.db2.gz	HTLOBARYUWXNBQ-LBPRGKRZSA-N	0	1	249.318	0.461	20	30		BCEDMN
COCC#CCN1CCC([C@@H](C)O)CC1	ZINC000677818017	490664514	/nfs/dbraw/zinc/66/45/14/490664514.db2.gz	SGHQVRWZQUYSOE-LLVKDONJSA-N	0	1	211.305	0.729	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)Cc1ncn[nH]1	ZINC000890551152	582471328	/nfs/dbraw/zinc/47/13/28/582471328.db2.gz	WUROKIIHEBJFLD-MRVPVSSYSA-N	0	1	206.249	0.524	20	30		BCEDMN
C=C(CC)CN(CCOC)[C@@H](C)C(N)=O	ZINC000358498727	534376931	/nfs/dbraw/zinc/37/69/31/534376931.db2.gz	MLZLQOGKZVYUQJ-JTQLQIEISA-N	0	1	214.309	0.775	20	30		BCEDMN
C=C(CC)CN1C[C@H](C(N)=O)O[C@@H](C)C1	ZINC000358507064	534401191	/nfs/dbraw/zinc/40/11/91/534401191.db2.gz	KUAZJXHPLSIJAP-VHSXEESVSA-N	0	1	212.293	0.527	20	30		BCEDMN
C=C(Cl)CN1CC[C@@H]2C(=O)NC[C@@H]2C1	ZINC000377721061	534439858	/nfs/dbraw/zinc/43/98/58/534439858.db2.gz	ISFJZTJKIOVCGD-BDAKNGLRSA-N	0	1	214.696	0.807	20	30		BCEDMN
C=C[C@@H](CO)NCc1ccc(C(=O)OC)[nH]1	ZINC000291503136	534540660	/nfs/dbraw/zinc/54/06/60/534540660.db2.gz	HPSZPVNJFFNMDE-QMMMGPOBSA-N	0	1	224.260	0.438	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN[C@@H](C)C1	ZINC000333836348	534600442	/nfs/dbraw/zinc/60/04/42/534600442.db2.gz	UILQEKYITPKQMP-AXFHLTTASA-N	0	1	239.319	0.333	20	30		BCEDMN
C=CCCC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C	ZINC000352198595	534605756	/nfs/dbraw/zinc/60/57/56/534605756.db2.gz	XITXWOVYEUMZLY-NWDGAFQWSA-N	0	1	240.347	0.866	20	30		BCEDMN
CC#CCNC(=O)NCc1n[nH]c(CC)n1	ZINC000297471812	534712149	/nfs/dbraw/zinc/71/21/49/534712149.db2.gz	LSLQSNCRBKXLJI-UHFFFAOYSA-N	0	1	221.264	0.190	20	30		BCEDMN
C=CCN(C)[C@H](C)C(=O)NC[C@H]1CCCO1	ZINC000121359459	534816240	/nfs/dbraw/zinc/81/62/40/534816240.db2.gz	ODBSKJQXUFAIRW-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CCN1CCC([C@@H](O)C(=O)NC2CC2)CC1	ZINC000332181800	534847936	/nfs/dbraw/zinc/84/79/36/534847936.db2.gz	WUTSIYAYOPFRSJ-GFCCVEGCSA-N	0	1	238.331	0.524	20	30		BCEDMN
C=CCOCC(=O)N1CCN2CCC1CC2	ZINC000356999886	534868032	/nfs/dbraw/zinc/86/80/32/534868032.db2.gz	QJYIIDVRDYGALI-UHFFFAOYSA-N	0	1	224.304	0.496	20	30		BCEDMN
C=CCOCC(=O)NCCN1CC=C(C)CC1	ZINC000358082160	534869479	/nfs/dbraw/zinc/86/94/79/534869479.db2.gz	SGADIYYCYNPURD-UHFFFAOYSA-N	0	1	238.331	0.957	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1cnc(C)[nH]1	ZINC000490875434	526844516	/nfs/dbraw/zinc/84/45/16/526844516.db2.gz	QDTJLBSGRXDQEA-UHFFFAOYSA-N	0	1	201.229	0.427	20	30		BCEDMN
C#CCN(CC#CC)CCCN1CCCC1=O	ZINC000490680200	526863798	/nfs/dbraw/zinc/86/37/98/526863798.db2.gz	YRWTWTPANCGNTC-UHFFFAOYSA-N	0	1	232.327	0.957	20	30		BCEDMN
C#CCn1ccnc1C=NNc1cnnn1C	ZINC000491067427	527193876	/nfs/dbraw/zinc/19/38/76/527193876.db2.gz	HYBLJPZXLAOZAA-UHFFFAOYSA-N	0	1	229.247	0.091	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CCc1cnc[nH]1	ZINC000490711972	527232282	/nfs/dbraw/zinc/23/22/82/527232282.db2.gz	BVQQXJTTYFLSIA-VIFPVBQESA-N	0	1	205.261	0.870	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1cc(F)ccc1F	ZINC000491486147	527260341	/nfs/dbraw/zinc/26/03/41/527260341.db2.gz	ULXJEXUPZSJBFP-CABZTGNLSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1cc(F)ccc1F	ZINC000491486148	527261075	/nfs/dbraw/zinc/26/10/75/527261075.db2.gz	ULXJEXUPZSJBFP-JOYOIKCWSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000491644779	527323354	/nfs/dbraw/zinc/32/33/54/527323354.db2.gz	LNXSKXVOBIDPOX-VHSXEESVSA-N	0	1	246.314	0.930	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1cc(F)ccc1F	ZINC000491486149	527377079	/nfs/dbraw/zinc/37/70/79/527377079.db2.gz	ULXJEXUPZSJBFP-SKDRFNHKSA-N	0	1	241.237	0.582	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)[C@H]1CCCN1C	ZINC000260082396	535127056	/nfs/dbraw/zinc/12/70/56/535127056.db2.gz	QGILLAHVDYYPRE-NXEZZACHSA-N	0	1	209.293	0.745	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCO	ZINC000355443169	535305830	/nfs/dbraw/zinc/30/58/30/535305830.db2.gz	LJXXCVNABUAWQQ-CMPLNLGQSA-N	0	1	241.335	0.353	20	30		BCEDMN
CC(C)(O)CN1CCN(CC2(C#N)CC2)CC1	ZINC000408110690	535307295	/nfs/dbraw/zinc/30/72/95/535307295.db2.gz	UFHJLLMHRYLJTA-UHFFFAOYSA-N	0	1	237.347	0.679	20	30		BCEDMN
CC(C)OC(=O)[C@H](C)N(C)C(=O)C(C)C#N	ZINC000347889032	535311901	/nfs/dbraw/zinc/31/19/01/535311901.db2.gz	JCXNUCSQMTVJIO-IUCAKERBSA-N	0	1	226.276	0.945	20	30		BCEDMN
Cn1nncc1CNC(=O)[C@@H]1CCCN1C	ZINC000329429189	536387807	/nfs/dbraw/zinc/38/78/07/536387807.db2.gz	GVUMMDCQRWCIJH-VIFPVBQESA-N	0	1	223.280	0.366	20	30		BCEDMN
C=C[C@@](C)(CCOC)C(=O)N(C)c1nn[nH]n1	ZINC000892954262	583018405	/nfs/dbraw/zinc/01/84/05/583018405.db2.gz	HESCYQSYGRIEDF-JTQLQIEISA-N	0	1	239.279	0.391	20	30		BCEDMN
C#Cc1cccnc1N1CCN(C[C@@H](C)O)CC1	ZINC000853265397	588730039	/nfs/dbraw/zinc/73/00/39/588730039.db2.gz	SCZDLFSJQZRVJT-GFCCVEGCSA-N	0	1	245.326	0.566	20	30		BCEDMN
C=CCn1cc(C(=O)O[C@@H](C)c2nnc[nH]2)nn1	ZINC000853226610	588727530	/nfs/dbraw/zinc/72/75/30/588727530.db2.gz	ZAIZXZJOBYMHNK-ZETCQYMHSA-N	0	1	248.246	0.500	20	30		BCEDMN
C#Cc1cccnc1NC[C@H]1C[N@H+](C)CCN1C	ZINC000853316063	588732296	/nfs/dbraw/zinc/73/22/96/588732296.db2.gz	GNKKHDICBZAECV-ZDUSSCGKSA-N	0	1	244.342	0.721	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccnn2CC2CC2)N1	ZINC000853330214	588733623	/nfs/dbraw/zinc/73/36/23/588733623.db2.gz	KPGLPDCDCRQCIL-SECBINFHSA-N	0	1	246.318	0.564	20	30		BCEDMN
Cc1cc(C=NNc2nnc(C)n2C)n(C)n1	ZINC000853430939	588741737	/nfs/dbraw/zinc/74/17/37/588741737.db2.gz	MKALLDNKVHRERU-UHFFFAOYSA-N	0	1	233.279	0.611	20	30		BCEDMN
C=CCONC(=O)NCCCc1nc[nH]n1	ZINC000854118613	588775096	/nfs/dbraw/zinc/77/50/96/588775096.db2.gz	SVRDIDKFGHTKKD-UHFFFAOYSA-N	0	1	225.252	0.154	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1CC	ZINC000854547500	588793016	/nfs/dbraw/zinc/79/30/16/588793016.db2.gz	WOBVOYOUZBWDFR-RYUDHWBXSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C(C)CCNC(=O)C1=NC(=O)N(C)C1	ZINC000854815419	588811814	/nfs/dbraw/zinc/81/18/14/588811814.db2.gz	JBOXAKVBRIZFGB-UHFFFAOYSA-N	0	1	209.249	0.822	20	30		BCEDMN
CN(Cc1cnc[nH]1)C(=O)C#CC1CC1	ZINC000855135714	588823243	/nfs/dbraw/zinc/82/32/43/588823243.db2.gz	UNEZUUKTDPPREN-UHFFFAOYSA-N	0	1	203.245	0.782	20	30		BCEDMN
N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000855253172	588826439	/nfs/dbraw/zinc/82/64/39/588826439.db2.gz	AQTULAAAICUULM-IVZWLZJFSA-N	0	1	237.259	0.804	20	30		BCEDMN
C=CCN(C(=O)c1[nH]nnc1C)[C@H](C)COC	ZINC000855375159	588829837	/nfs/dbraw/zinc/82/98/37/588829837.db2.gz	IIYCJZRZVUUDDG-MRVPVSSYSA-N	0	1	238.291	0.776	20	30		BCEDMN
C#CCONC(=O)c1cc(F)cc2nc[nH]c21	ZINC000812783835	582565360	/nfs/dbraw/zinc/56/53/60/582565360.db2.gz	IHXSYPVYNOFXOF-UHFFFAOYSA-N	0	1	233.202	0.997	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](CC)OC[C@@H]1C	ZINC000844391197	582581003	/nfs/dbraw/zinc/58/10/03/582581003.db2.gz	NVBAJOVHNVCXHD-NWDGAFQWSA-N	0	1	238.331	0.625	20	30		BCEDMN
O=C(Cc1cnc[nH]1)NCC#C[C@@H]1CCCCO1	ZINC000891105936	582612034	/nfs/dbraw/zinc/61/20/34/582612034.db2.gz	GRESHGUJVDYADM-LBPRGKRZSA-N	0	1	247.298	0.641	20	30		BCEDMN
C=C(C)CONC(=O)N(C)Cc1nnc[nH]1	ZINC000845608685	582615953	/nfs/dbraw/zinc/61/59/53/582615953.db2.gz	AZNMXQCKPKKSRB-UHFFFAOYSA-N	0	1	225.252	0.454	20	30		BCEDMN
C#CCONC(=O)c1ccc(CN(C)C)nc1	ZINC000855606572	588841676	/nfs/dbraw/zinc/84/16/76/588841676.db2.gz	KMHYOWCJNSXPAZ-UHFFFAOYSA-N	0	1	233.271	0.438	20	30		BCEDMN
C#CCCCNC(=O)NCc1cc(N)ccn1	ZINC000891848650	582729847	/nfs/dbraw/zinc/72/98/47/582729847.db2.gz	PCPRQXGCEJHVDN-UHFFFAOYSA-N	0	1	232.287	0.876	20	30		BCEDMN
COC(=O)c1cc(C=NNC2=NC[C@@H](C)N2)c[nH]1	ZINC000779791475	582730627	/nfs/dbraw/zinc/73/06/27/582730627.db2.gz	JNYRORUOVMRKKZ-SSDOTTSWSA-N	0	1	249.274	0.073	20	30		BCEDMN
C[C@H](O)CNN=C1CCCN2CCCC[C@H]12	ZINC000848409661	582766993	/nfs/dbraw/zinc/76/69/93/582766993.db2.gz	CJYMBHDHLJVNJP-CMPLNLGQSA-N	0	1	225.336	0.961	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@H](C)[NH+]1CCN(C)CC1	ZINC000856032739	588856694	/nfs/dbraw/zinc/85/66/94/588856694.db2.gz	USRORQVHLUGTHV-LLVKDONJSA-N	0	1	241.335	0.246	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@@H](C)N1CC[NH+](C)CC1	ZINC000856032739	588856695	/nfs/dbraw/zinc/85/66/95/588856695.db2.gz	USRORQVHLUGTHV-LLVKDONJSA-N	0	1	241.335	0.246	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@H]1C[N@H+](CC)CCO1	ZINC000856032376	588856714	/nfs/dbraw/zinc/85/67/14/588856714.db2.gz	NDVZVSJZJWOLOL-SNVBAGLBSA-N	0	1	228.292	0.331	20	30		BCEDMN
C=CCCO[N-]C(=O)[C@H]1C[N@@H+](CC)CCO1	ZINC000856032376	588856715	/nfs/dbraw/zinc/85/67/15/588856715.db2.gz	NDVZVSJZJWOLOL-SNVBAGLBSA-N	0	1	228.292	0.331	20	30		BCEDMN
CCN(C(=O)C1=NC(=O)N(C)C1)[C@@H](C)C#N	ZINC000856077412	588859882	/nfs/dbraw/zinc/85/98/82/588859882.db2.gz	UMHPOVCWKLACMO-ZETCQYMHSA-N	0	1	222.248	0.500	20	30		BCEDMN
C=CCC1(C(=O)N(C)c2nn[nH]n2)CCC1	ZINC000892954823	583019150	/nfs/dbraw/zinc/01/91/50/583019150.db2.gz	RRCCWRNSXPGYGR-UHFFFAOYSA-N	0	1	221.264	0.909	20	30		BCEDMN
C=CC[C@H](CO)CNCc1cn(CC)nn1	ZINC000893281896	583084867	/nfs/dbraw/zinc/08/48/67/583084867.db2.gz	AAWUZSQHLJESDM-JTQLQIEISA-N	0	1	224.308	0.572	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc(C)nc1C	ZINC000841661242	583166164	/nfs/dbraw/zinc/16/61/64/583166164.db2.gz	WMYJVENUIZDZBX-UHFFFAOYSA-N	0	1	231.303	0.971	20	30		BCEDMN
C#CCN(C)C(=O)C(C)(C)c1c[nH]cn1	ZINC000857190179	588892369	/nfs/dbraw/zinc/89/23/69/588892369.db2.gz	FHSIPIVXWACZDL-UHFFFAOYSA-N	0	1	205.261	0.779	20	30		BCEDMN
C#CC[C@H]1CCCN(CN2CCC2=O)C1	ZINC000857236178	588900150	/nfs/dbraw/zinc/90/01/50/588900150.db2.gz	CYZIIWQRRMOXHH-NSHDSACASA-N	0	1	206.289	0.912	20	30		BCEDMN
C=CC[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1	ZINC000878340698	583370877	/nfs/dbraw/zinc/37/08/77/583370877.db2.gz	UELIWGZXJDPTHJ-WDEREUQCSA-N	0	1	246.376	0.965	20	30		BCEDMN
C#C[C@H](C)NCc1c2c(nn1C)CCOC2	ZINC000894384850	583443419	/nfs/dbraw/zinc/44/34/19/583443419.db2.gz	XFKJEWUUJYXHBG-VIFPVBQESA-N	0	1	219.288	0.604	20	30		BCEDMN
CN(CCC(N)=O)Cc1csc(C#N)c1	ZINC000894430994	583458159	/nfs/dbraw/zinc/45/81/59/583458159.db2.gz	BSZILVFJSCBDBB-UHFFFAOYSA-N	0	1	223.301	0.927	20	30		BCEDMN
C#CCC(CC#C)C(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000857295883	588904849	/nfs/dbraw/zinc/90/48/49/588904849.db2.gz	YKAQSLPIHUFSTQ-UHFFFAOYSA-N	0	1	247.254	0.396	20	30		BCEDMN
C#CCC(CC#C)C(=O)N(C)CC1CN(C)C1	ZINC000857315829	588905729	/nfs/dbraw/zinc/90/57/29/588905729.db2.gz	FVBXLVJNZOWTHX-UHFFFAOYSA-N	0	1	232.327	0.669	20	30		BCEDMN
C#CCC1(O)CCN(c2nc(C)cc(N)n2)CC1	ZINC000895160317	583610023	/nfs/dbraw/zinc/61/00/23/583610023.db2.gz	FVEOBUWOICHOQE-UHFFFAOYSA-N	0	1	246.314	0.722	20	30		BCEDMN
Cn1ccc(CN[C@H]2CCCN(O)C2=O)c1	ZINC000895161355	583610634	/nfs/dbraw/zinc/61/06/34/583610634.db2.gz	FXCHGYVXUULQJT-JTQLQIEISA-N	0	1	223.276	0.495	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CCc1cnc[nH]1	ZINC000882899059	583656773	/nfs/dbraw/zinc/65/67/73/583656773.db2.gz	DCNDQZJXENZWRZ-NSHDSACASA-N	0	1	237.303	0.786	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(Cl)nn1	ZINC000895490867	583680802	/nfs/dbraw/zinc/68/08/02/583680802.db2.gz	UYAISCROTGMGDD-SECBINFHSA-N	0	1	225.679	0.604	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NCc1n[nH]c(C)n1	ZINC000895689969	583707286	/nfs/dbraw/zinc/70/72/86/583707286.db2.gz	YYGDETXLXMSMFI-VIFPVBQESA-N	0	1	235.291	0.714	20	30		BCEDMN
C#Cc1cnc(NC[C@@H]2CCN2C)nc1	ZINC000895769596	583724403	/nfs/dbraw/zinc/72/44/03/583724403.db2.gz	VDHUPGWQHKMPIF-JTQLQIEISA-N	0	1	202.261	0.574	20	30		BCEDMN
C#CCSCC(=O)NCc1cn[nH]c1C	ZINC000895819103	583733765	/nfs/dbraw/zinc/73/37/65/583733765.db2.gz	HTDIXOSHUBNUFM-UHFFFAOYSA-N	0	1	223.301	0.701	20	30		BCEDMN
N#Cc1cnn(C(=O)[C@@]23CC[N@@H+](C2)CCC3)c1N	ZINC000895886739	583739142	/nfs/dbraw/zinc/73/91/42/583739142.db2.gz	WTIQAEMCXROGDS-LBPRGKRZSA-N	0	1	245.286	0.463	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cn(CC)nn2)C1	ZINC000896042433	583766679	/nfs/dbraw/zinc/76/66/79/583766679.db2.gz	DFBUEWWRCSMZKD-LBPRGKRZSA-N	0	1	247.346	0.485	20	30		BCEDMN
C#CCCNC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000896348022	583795738	/nfs/dbraw/zinc/79/57/38/583795738.db2.gz	UNTKBTCPQAXBEE-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000896413759	583801060	/nfs/dbraw/zinc/80/10/60/583801060.db2.gz	HTXFUKDFTYFERN-CMPLNLGQSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C	ZINC000896564059	583812545	/nfs/dbraw/zinc/81/25/45/583812545.db2.gz	NPKOZVABKWLZML-NEPJUHHUSA-N	0	1	239.363	0.703	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1CCN1C(C)(C)C	ZINC000897175473	583888049	/nfs/dbraw/zinc/88/80/49/583888049.db2.gz	TVUIEHXXGOSXHZ-GFCCVEGCSA-N	0	1	232.327	0.954	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1cc[nH]n1	ZINC000858334396	588946499	/nfs/dbraw/zinc/94/64/99/588946499.db2.gz	WEKFCDUURHAHPE-JTQLQIEISA-N	0	1	207.277	0.928	20	30		BCEDMN
C#CC[C@H](COC)NCc1cnnn1CC	ZINC000858335027	588946849	/nfs/dbraw/zinc/94/68/49/588946849.db2.gz	UPGFVRPPPCRCIW-SNVBAGLBSA-N	0	1	222.292	0.426	20	30		BCEDMN
C#CC[C@@H](COC)NCc1n[nH]cc1C	ZINC000858335167	588946999	/nfs/dbraw/zinc/94/69/99/588946999.db2.gz	MOWWGSYKVCALEW-JTQLQIEISA-N	0	1	207.277	0.846	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)NCc2n[nH]c(C)n2)C1	ZINC000898347535	584111459	/nfs/dbraw/zinc/11/14/59/584111459.db2.gz	PJZORRFCWMCUOH-SNVBAGLBSA-N	0	1	247.302	0.668	20	30		BCEDMN
N#CCCNC(=O)Cc1n[nH]c2c1CCCC2	ZINC000787621057	584120727	/nfs/dbraw/zinc/12/07/27/584120727.db2.gz	QRRPQSJKOWUQIB-UHFFFAOYSA-N	0	1	232.287	0.861	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N1CCCC1	ZINC000730095044	584122958	/nfs/dbraw/zinc/12/29/58/584122958.db2.gz	ZZAZDAUQPZMZBH-NSHDSACASA-N	0	1	206.289	0.706	20	30		BCEDMN
C=CCOCC(=O)N1CC(N2CCCC2)C1	ZINC000898609589	584146423	/nfs/dbraw/zinc/14/64/23/584146423.db2.gz	ARFYFBIZTHVOII-UHFFFAOYSA-N	0	1	224.304	0.496	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000898986949	584168635	/nfs/dbraw/zinc/16/86/35/584168635.db2.gz	RKYDIMLEFFOGSY-ZJUUUORDSA-N	0	1	226.320	0.522	20	30		BCEDMN
C#CCCc1cc(=O)n(-c2cncnc2)[nH]1	ZINC000899355690	584201838	/nfs/dbraw/zinc/20/18/38/584201838.db2.gz	TXMRZCPZLINLRY-UHFFFAOYSA-N	0	1	214.228	0.983	20	30		BCEDMN
C#CCn1[nH]c(C2CCOCC2)cc1=O	ZINC000899356723	584203456	/nfs/dbraw/zinc/20/34/56/584203456.db2.gz	RIFOHGJJDIHBFG-UHFFFAOYSA-N	0	1	206.245	0.635	20	30		BCEDMN
C#CCCc1cc(=O)n(-c2ccnn2C)[nH]1	ZINC000899364190	584205383	/nfs/dbraw/zinc/20/53/83/584205383.db2.gz	MSAUYSWAWIQSQA-UHFFFAOYSA-N	0	1	216.244	0.926	20	30		BCEDMN
CCn1cc(/C=C2/C(=O)c3ncnn3C2C)nn1	ZINC000899379607	584209377	/nfs/dbraw/zinc/20/93/77/584209377.db2.gz	BCXDTBSDTLACGS-FGROQZRYSA-N	0	1	244.258	0.730	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2COC[C@@H]2CC)nn1	ZINC000899884506	584246820	/nfs/dbraw/zinc/24/68/20/584246820.db2.gz	HBOSXRMXIKYVIH-CMPLNLGQSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000899920605	584255104	/nfs/dbraw/zinc/25/51/04/584255104.db2.gz	LTQCNADTCSUVPR-DGCLKSJQSA-N	0	1	238.331	0.642	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000900329171	584295318	/nfs/dbraw/zinc/29/53/18/584295318.db2.gz	LPZFGCUBZZAEJQ-FOGDFJRCSA-N	0	1	239.319	0.060	20	30		BCEDMN
Cc1nc(C)c(C(=O)Nc2cnn(CC#N)c2)[nH]1	ZINC000900438603	584310758	/nfs/dbraw/zinc/31/07/58/584310758.db2.gz	IFZOHQHAQSRUKW-UHFFFAOYSA-N	0	1	244.258	0.999	20	30		BCEDMN
C#CCCCCCCn1cc([C@H](N)CO)nn1	ZINC000900641571	584331754	/nfs/dbraw/zinc/33/17/54/584331754.db2.gz	XZQOLRBISAMNIM-LLVKDONJSA-N	0	1	236.319	0.854	20	30		BCEDMN
C=CC(C)(C)CC(=O)NCc1nn[nH]n1	ZINC000900659167	584336762	/nfs/dbraw/zinc/33/67/62/584336762.db2.gz	NZWJVNXNMYUFLT-UHFFFAOYSA-N	0	1	209.253	0.418	20	30		BCEDMN
C#CCC(CC#C)C(=O)NC[C@@H]1CCN1C	ZINC000900668175	584337483	/nfs/dbraw/zinc/33/74/83/584337483.db2.gz	ZWGXPODYMJIGQD-LBPRGKRZSA-N	0	1	218.300	0.470	20	30		BCEDMN
CC(=NNC(=S)N(C)C)c1c[nH]c(N)n1	ZINC000901186012	584393294	/nfs/dbraw/zinc/39/32/94/584393294.db2.gz	VAFXMZGBSIZZID-UHFFFAOYSA-N	0	1	226.309	0.152	20	30		BCEDMN
C[C@H]1C[NH+]=C(NN=Cc2ccc(C(=O)[O-])nc2)N1	ZINC000901215311	584401602	/nfs/dbraw/zinc/40/16/02/584401602.db2.gz	JHESWSRAKQOWAN-ZETCQYMHSA-N	0	1	247.258	0.051	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cn3ccnc3s2)N1	ZINC000901217329	584401942	/nfs/dbraw/zinc/40/19/42/584401942.db2.gz	WQLSVFRUFFEKMI-SSDOTTSWSA-N	0	1	248.315	0.667	20	30		BCEDMN
CCn1cnc(C=NNC2=NC[C@@H](C)N2)c1	ZINC000901216928	584402105	/nfs/dbraw/zinc/40/21/05/584402105.db2.gz	TYANGSFBXQYKCV-MRVPVSSYSA-N	0	1	220.280	0.174	20	30		BCEDMN
Cc1nc[nH]c1C=NN[C@@H]1CCC[C@H]1O	ZINC000901333317	584425948	/nfs/dbraw/zinc/42/59/48/584425948.db2.gz	BMKHETPKMQYKEB-PSASIEDQSA-N	0	1	208.265	0.555	20	30		BCEDMN
N#CCC[C@H](C#N)CNCCO[C@@H]1CCOC1	ZINC000901616127	584470082	/nfs/dbraw/zinc/47/00/82/584470082.db2.gz	KVDIQLCIICLIJC-VXGBXAGGSA-N	0	1	237.303	0.825	20	30		BCEDMN
C#C[C@@H]1CCCN(CN2C[C@H]3C[C@H]3C2=O)C1	ZINC000902305150	584554481	/nfs/dbraw/zinc/55/44/81/584554481.db2.gz	ILQNAVNUZBNPDE-IJLUTSLNSA-N	0	1	218.300	0.767	20	30		BCEDMN
C#CCCN1CCC(NS(=O)(=O)CC)CC1	ZINC000903008285	584717684	/nfs/dbraw/zinc/71/76/84/584717684.db2.gz	IEJROORGSDMACH-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
CC#CCN1CC[C@H](Nc2ncccn2)C1	ZINC000903024028	584721443	/nfs/dbraw/zinc/72/14/43/584721443.db2.gz	SJKYMVFBZFCASG-NSHDSACASA-N	0	1	216.288	0.986	20	30		BCEDMN
CCCCN(CCOC)CC(=O)NCCC#N	ZINC000731667607	584928139	/nfs/dbraw/zinc/92/81/39/584928139.db2.gz	SKGMKVSCEGEBHO-UHFFFAOYSA-N	0	1	241.335	0.765	20	30		BCEDMN
N#CCOC(=O)c1[nH]nc2c1CCCC2	ZINC000731702604	584928335	/nfs/dbraw/zinc/92/83/35/584928335.db2.gz	KTSHYLSUPNXOCS-UHFFFAOYSA-N	0	1	205.217	0.969	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)NCc1cc(C)[nH]n1	ZINC000733285962	584945720	/nfs/dbraw/zinc/94/57/20/584945720.db2.gz	MJPJHQRNQDLUBO-LBPRGKRZSA-N	0	1	246.314	0.432	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)OCCc1c[nH]nn1	ZINC000734332198	584960086	/nfs/dbraw/zinc/96/00/86/584960086.db2.gz	LCBRXXBUWWBECO-VIFPVBQESA-N	0	1	239.275	0.872	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)OCCc1cnn[nH]1	ZINC000734332198	584960087	/nfs/dbraw/zinc/96/00/87/584960087.db2.gz	LCBRXXBUWWBECO-VIFPVBQESA-N	0	1	239.275	0.872	20	30		BCEDMN
C=CCCn1cccc(-c2nn[nH]n2)c1=O	ZINC000735416667	584977506	/nfs/dbraw/zinc/97/75/06/584977506.db2.gz	OEIDIRWPLSLWKU-UHFFFAOYSA-N	0	1	217.232	0.605	20	30		BCEDMN
C=CCCn1c(N)nc(-c2nn[nH]n2)c1C#N	ZINC000735416387	584977594	/nfs/dbraw/zinc/97/75/94/584977594.db2.gz	ICFNPJYQFVBDGU-UHFFFAOYSA-N	0	1	230.235	0.093	20	30		BCEDMN
c1cnnc(N=NC2CN3CCC2CC3)c1	ZINC000735976160	584985638	/nfs/dbraw/zinc/98/56/38/584985638.db2.gz	DRCBZRTVFKFWIN-UHFFFAOYSA-N	0	1	217.276	0.970	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC(=O)[O-]	ZINC000736080326	584987731	/nfs/dbraw/zinc/98/77/31/584987731.db2.gz	TUGHOURFLOKFDM-JTQLQIEISA-N	0	1	238.287	0.065	20	30		BCEDMN
C=C1CC[NH+](CC(=O)NCCC(=O)[O-])CC1	ZINC000736097060	584989470	/nfs/dbraw/zinc/98/94/70/584989470.db2.gz	LFOYRYPEALFFOD-UHFFFAOYSA-N	0	1	226.276	0.229	20	30		BCEDMN
C=C(C)C[N@H+](CC)CC(=O)NCCC(=O)[O-]	ZINC000736095415	584989606	/nfs/dbraw/zinc/98/96/06/584989606.db2.gz	VHTPZAPTTFJHFZ-UHFFFAOYSA-N	0	1	228.292	0.475	20	30		BCEDMN
C=C1CC[NH+]([C@@H](C)C(=O)NCC(=O)[O-])CC1	ZINC000736098322	584989806	/nfs/dbraw/zinc/98/98/06/584989806.db2.gz	TYZKVXNXAKQSHT-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCCCc1nc[nH]n1	ZINC000820394578	585012850	/nfs/dbraw/zinc/01/28/50/585012850.db2.gz	MAKKSIPVXASLNS-QMMMGPOBSA-N	0	1	221.264	0.058	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1cc(C)n[nH]1)[C@@H]1CCCO1	ZINC000772893199	585018477	/nfs/dbraw/zinc/01/84/77/585018477.db2.gz	SHVLZRDIVWKSKH-RYUDHWBXSA-N	0	1	247.298	0.558	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NC[C@H]1CCN1CC	ZINC000890067905	585020595	/nfs/dbraw/zinc/02/05/95/585020595.db2.gz	YQIUELCDUDTFOR-CYBMUJFWSA-N	0	1	247.342	0.749	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)NCc1ccccc1	ZINC000841507140	585040831	/nfs/dbraw/zinc/04/08/31/585040831.db2.gz	VVCQJICMOJFRTN-NWDGAFQWSA-N	0	1	244.298	0.597	20	30		BCEDMN
CCc1nc(COC(=O)C#CC2CC2)n[nH]1	ZINC000838366784	585054839	/nfs/dbraw/zinc/05/48/39/585054839.db2.gz	PEMHKJVGMWODEA-UHFFFAOYSA-N	0	1	219.244	0.824	20	30		BCEDMN
CCCCC(N)=NOCCCS(C)(=O)=O	ZINC000103136147	585061784	/nfs/dbraw/zinc/06/17/84/585061784.db2.gz	MAHLRSLBGKSMMM-UHFFFAOYSA-N	0	1	236.337	0.900	20	30		BCEDMN
C=CCONC(=O)NCC[N@H+](CC)C1CC1	ZINC000838706849	585065588	/nfs/dbraw/zinc/06/55/88/585065588.db2.gz	DAXQEIVZPKRRCR-UHFFFAOYSA-N	0	1	227.308	0.888	20	30		BCEDMN
C=CC[C@@H](CO)CNCc1cnn(CC)n1	ZINC000838984655	585084393	/nfs/dbraw/zinc/08/43/93/585084393.db2.gz	NDAZFIWYPCXIQC-SNVBAGLBSA-N	0	1	224.308	0.572	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)c1ncn[nH]1	ZINC000746207097	585165349	/nfs/dbraw/zinc/16/53/49/585165349.db2.gz	YKPIHAABOKIQDM-ZCFIWIBFSA-N	0	1	207.237	0.473	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)c1nc[nH]n1	ZINC000746207097	585165350	/nfs/dbraw/zinc/16/53/50/585165350.db2.gz	YKPIHAABOKIQDM-ZCFIWIBFSA-N	0	1	207.237	0.473	20	30		BCEDMN
C#CCCCNC(=O)CN1CCN(CC)CC1	ZINC000746314127	585167471	/nfs/dbraw/zinc/16/74/71/585167471.db2.gz	SWEHEQQTFXTRJB-UHFFFAOYSA-N	0	1	237.347	0.154	20	30		BCEDMN
C#CCNC(=O)CN1CCN(C)C[C@@H]1C(C)C	ZINC000746462011	585168299	/nfs/dbraw/zinc/16/82/99/585168299.db2.gz	JWQQDSORMIGBGN-GFCCVEGCSA-N	0	1	237.347	0.008	20	30		BCEDMN
Cc1nnc(N=NC2C[N@H+](C)C[C@@H]2C)[n-]c1=O	ZINC000752158263	585242999	/nfs/dbraw/zinc/24/29/99/585242999.db2.gz	OCGDZKCYYNISDC-LURJTMIESA-N	0	1	236.279	0.235	20	30		BCEDMN
Cc1nnc(N=NC2C[N@H+](C)C[C@H]2C)[n-]c1=O	ZINC000752158264	585243055	/nfs/dbraw/zinc/24/30/55/585243055.db2.gz	OCGDZKCYYNISDC-ZCFIWIBFSA-N	0	1	236.279	0.235	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ccnc(N(C)C)n1	ZINC000752165590	585243323	/nfs/dbraw/zinc/24/33/23/585243323.db2.gz	KUABEYBVUCYVSC-VIFPVBQESA-N	0	1	248.334	0.892	20	30		BCEDMN
C#CCOCCNC(=O)c1cccc2nc[nH]c21	ZINC000753239605	585255695	/nfs/dbraw/zinc/25/56/95/585255695.db2.gz	DEOUMMPQKRHAPQ-UHFFFAOYSA-N	0	1	243.266	0.943	20	30		BCEDMN
C#CCOCCNC(=O)c1[nH]nc2c1CCCC2	ZINC000753238061	585255907	/nfs/dbraw/zinc/25/59/07/585255907.db2.gz	GFSUMURPMOKZHR-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C#CC(=O)N1CCN(CC2CCOCC2)CC1	ZINC000754040883	585275891	/nfs/dbraw/zinc/27/58/91/585275891.db2.gz	KMKXYICYYKTCFE-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
C#CC(=O)NCc1nc2ccc(F)cc2[nH]1	ZINC000754062128	585276943	/nfs/dbraw/zinc/27/69/43/585276943.db2.gz	XCFUTNOMAQITMQ-UHFFFAOYSA-N	0	1	217.203	0.951	20	30		BCEDMN
CC(C)N1CC(=NN[C@H](C)CO)[C@H](C)C1	ZINC000754256300	585281192	/nfs/dbraw/zinc/28/11/92/585281192.db2.gz	HBDPBRCCOWIYMP-NXEZZACHSA-N	0	1	213.325	0.673	20	30		BCEDMN
CCN1CCN(CC(=O)NCCC#N)C[C@@H]1C	ZINC000754372225	585283500	/nfs/dbraw/zinc/28/35/00/585283500.db2.gz	AZULUCSIAQLAIR-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@@H](C)N2)c(C)n1C	ZINC000754960494	585292629	/nfs/dbraw/zinc/29/26/29/585292629.db2.gz	DZCRNWUUKOXGRM-MRVPVSSYSA-N	0	1	233.319	0.913	20	30		BCEDMN
Cc1cc(C(=O)N=C2C[C@H](C)ON2)nc(C)n1	ZINC000755642687	585302968	/nfs/dbraw/zinc/30/29/68/585302968.db2.gz	GTQPPJLBOYRNIV-ZETCQYMHSA-N	0	1	234.259	0.946	20	30		BCEDMN
Cn1cncc1C=NNc1ncnc2nc[nH]c21	ZINC000755662170	585303724	/nfs/dbraw/zinc/30/37/24/585303724.db2.gz	YJURUWWNIYMHOE-UHFFFAOYSA-N	0	1	242.246	0.532	20	30		BCEDMN
Cc1cc(CC(=O)n2ncc(C#N)c2N)n[nH]1	ZINC000755735968	585305353	/nfs/dbraw/zinc/30/53/53/585305353.db2.gz	PBJFCCVVTMIHJV-UHFFFAOYSA-N	0	1	230.231	0.251	20	30		BCEDMN
C[C@H](CO)N=NC1CN(C2CC2)C[C@@H]1C	ZINC000755891475	585309332	/nfs/dbraw/zinc/30/93/32/585309332.db2.gz	HAUFNEWSCYDVND-DTWKUNHWSA-N	0	1	211.309	0.427	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839657415	585333704	/nfs/dbraw/zinc/33/37/04/585333704.db2.gz	BFWUXDWYNWDSNB-RKDXNWHRSA-N	0	1	210.233	0.830	20	30		BCEDMN
C#CCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839699755	585335902	/nfs/dbraw/zinc/33/59/02/585335902.db2.gz	AETVNLLIVVSCQZ-RKDXNWHRSA-N	0	1	210.233	0.571	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839702218	585336014	/nfs/dbraw/zinc/33/60/14/585336014.db2.gz	VMFIPCDDRQSTBZ-NXEZZACHSA-N	0	1	237.259	0.804	20	30		BCEDMN
C=CCCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839715688	585338194	/nfs/dbraw/zinc/33/81/94/585338194.db2.gz	SXXWRWKITJHNDK-RKDXNWHRSA-N	0	1	228.248	0.361	20	30		BCEDMN
C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)NCCC#N	ZINC000759493250	585373833	/nfs/dbraw/zinc/37/38/33/585373833.db2.gz	YBCSYHKSJJFWBO-JGPRNRPPSA-N	0	1	239.319	0.250	20	30		BCEDMN
Cc1onc(CC(=O)NOCC(F)F)c1C#N	ZINC000760146182	585385938	/nfs/dbraw/zinc/38/59/38/585385938.db2.gz	ILWFZOYKAAPBTQ-UHFFFAOYSA-N	0	1	245.185	0.710	20	30		BCEDMN
N=C(N)NN=Cc1cccc(-n2cccn2)c1	ZINC000760216365	585386699	/nfs/dbraw/zinc/38/66/99/585386699.db2.gz	PRSPGQYOEGOHNK-UHFFFAOYSA-N	0	1	228.259	0.689	20	30		BCEDMN
Cc1nnc(N=NC2C[C@H](C)[N@H+](C)C2)[n-]c1=O	ZINC000761801348	585418955	/nfs/dbraw/zinc/41/89/55/585418955.db2.gz	MMOBDFSTKLJCJE-LURJTMIESA-N	0	1	236.279	0.378	20	30		BCEDMN
CC#CCNC(=O)NCc1cc(CC)[nH]n1	ZINC000762586849	585434071	/nfs/dbraw/zinc/43/40/71/585434071.db2.gz	IHNBUAQPTNVJIZ-UHFFFAOYSA-N	0	1	220.276	0.795	20	30		BCEDMN
C#CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1	ZINC000763191651	585444151	/nfs/dbraw/zinc/44/41/51/585444151.db2.gz	DOGKIGLYKZCDDW-ZETCQYMHSA-N	0	1	206.249	0.739	20	30		BCEDMN
CC#CC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000764058109	585459164	/nfs/dbraw/zinc/45/91/64/585459164.db2.gz	PYTLOYIGCJKWIL-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C[C@H]1CC(=NNS(C)(=O)=O)CCN1C	ZINC000764704017	585471597	/nfs/dbraw/zinc/47/15/97/585471597.db2.gz	IZOJCVPBWAXIHO-ZETCQYMHSA-N	0	1	219.310	0.006	20	30		BCEDMN
CC[C@@H](C(=O)Nc1cnn(CC#N)c1)N(C)C	ZINC000765342530	585483948	/nfs/dbraw/zinc/48/39/48/585483948.db2.gz	HIEDIQMVFMMHLY-JTQLQIEISA-N	0	1	235.291	0.685	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cnc3[nH]cnc3c2)=NO1	ZINC000765371989	585484384	/nfs/dbraw/zinc/48/43/84/585484384.db2.gz	ISUUYMNACNNHRO-ZCFIWIBFSA-N	0	1	245.242	0.810	20	30		BCEDMN
Cc1cc(C(=O)N=C2C[C@@H](C)ON2)nn1C	ZINC000765375813	585484511	/nfs/dbraw/zinc/48/45/11/585484511.db2.gz	KYCXNAVJZWLBRG-SSDOTTSWSA-N	0	1	222.248	0.581	20	30		BCEDMN
Cc1nonc1C(=O)N=C1C[C@H](C)ON1	ZINC000765376716	585484822	/nfs/dbraw/zinc/48/48/22/585484822.db2.gz	PRZFEIIBIOFELE-BYPYZUCNSA-N	0	1	210.193	0.230	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cccnc2N(C)C)=NO1	ZINC000765380885	585485017	/nfs/dbraw/zinc/48/50/17/585485017.db2.gz	OCSHDHAAXZRCJG-MRVPVSSYSA-N	0	1	248.286	1.000	20	30		BCEDMN
Cc1nnc(N=NC2CC[N@H+]3CCC[C@@H]23)[n-]c1=O	ZINC000765560247	585489763	/nfs/dbraw/zinc/48/97/63/585489763.db2.gz	PMOYJDKQQWBNBB-VIFPVBQESA-N	0	1	248.290	0.522	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CCOC(C)(C)C	ZINC000767905491	585528295	/nfs/dbraw/zinc/52/82/95/585528295.db2.gz	OXNCQLYFKDQVNT-NSHDSACASA-N	0	1	240.347	0.871	20	30		BCEDMN
C#CCC(C)(C)C(=O)NCCc1nc[nH]n1	ZINC000768191687	585533837	/nfs/dbraw/zinc/53/38/37/585533837.db2.gz	JTEBMIGGDVYJPD-UHFFFAOYSA-N	0	1	220.276	0.513	20	30		BCEDMN
CN1C(=O)CN(N=C2CCN3CCC[C@@H]23)C1=O	ZINC000768378190	585537554	/nfs/dbraw/zinc/53/75/54/585537554.db2.gz	GSMIPBORRDNORT-VIFPVBQESA-N	0	1	236.275	0.105	20	30		BCEDMN
C#C[C@H](C)N(C)CC[C@@H]1CCS(=O)(=O)C1	ZINC000769961753	585567422	/nfs/dbraw/zinc/56/74/22/585567422.db2.gz	NCXAERNEXOQIEU-WDEREUQCSA-N	0	1	229.345	0.765	20	30		BCEDMN
C#C[C@H](C)N(C)CCn1ccccc1=O	ZINC000769962207	585567537	/nfs/dbraw/zinc/56/75/37/585567537.db2.gz	CDOHIZVUVBRLEX-NSHDSACASA-N	0	1	204.273	0.802	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1c(C)noc1C	ZINC000770482782	585574900	/nfs/dbraw/zinc/57/49/00/585574900.db2.gz	DHZRPGPJXYXTSB-UHFFFAOYSA-N	0	1	249.314	0.863	20	30		BCEDMN
C#CCCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770515282	585575582	/nfs/dbraw/zinc/57/55/82/585575582.db2.gz	LLEREMLSCMBTFU-UHFFFAOYSA-N	0	1	222.200	0.371	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2nccs2)NO1	ZINC000770679078	585579635	/nfs/dbraw/zinc/57/96/35/585579635.db2.gz	HIRSTEKDYMXTGE-RXMQYKEDSA-N	0	1	211.246	0.995	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cccc(C#N)c1	ZINC000775335168	585675927	/nfs/dbraw/zinc/67/59/27/585675927.db2.gz	FNNWVMIEIPSZFE-NSHDSACASA-N	0	1	241.294	0.958	20	30		BCEDMN
C#C[C@H](NCc1cnn(C)c1C)[C@H]1CCCO1	ZINC000775352960	585676620	/nfs/dbraw/zinc/67/66/20/585676620.db2.gz	YTYGBVQTPSDVKR-QWHCGFSZSA-N	0	1	233.315	0.999	20	30		BCEDMN
C#CCCN1CCN(C(C)=O)CC1(C)C	ZINC000775564080	585679533	/nfs/dbraw/zinc/67/95/33/585679533.db2.gz	MBKIUBOHPMPFMX-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCN(C[C@H](O)CC(=O)OCC)C1CC1	ZINC000859251688	589024326	/nfs/dbraw/zinc/02/43/26/589024326.db2.gz	BSJYAVCIBMCOTE-LLVKDONJSA-N	0	1	225.288	0.398	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C)C1	ZINC000776519180	585699835	/nfs/dbraw/zinc/69/98/35/585699835.db2.gz	YXBCUQVGSCARGH-HRDYMLBCSA-N	0	1	208.261	0.877	20	30		BCEDMN
C#C[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2	ZINC000777229759	585709711	/nfs/dbraw/zinc/70/97/11/585709711.db2.gz	PWXDRLKLRFCTDC-VIFPVBQESA-N	0	1	231.299	0.969	20	30		BCEDMN
C[C@H]1CC(=NC(=O)c2cnc(N(C)C)cn2)NO1	ZINC000779674169	585758577	/nfs/dbraw/zinc/75/85/77/585758577.db2.gz	BYPWMIHJVULRCQ-ZETCQYMHSA-N	0	1	249.274	0.395	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2cnc(N(C)C)cn2)NO1	ZINC000779674164	585758605	/nfs/dbraw/zinc/75/86/05/585758605.db2.gz	BYPWMIHJVULRCQ-SSDOTTSWSA-N	0	1	249.274	0.395	20	30		BCEDMN
CCOc1cccc(C=NNC2=NC[C@H](C)N2)n1	ZINC000779783310	585762911	/nfs/dbraw/zinc/76/29/11/585762911.db2.gz	IPNQUIQBFMIVMH-VIFPVBQESA-N	0	1	247.302	0.752	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc3c2OCO3)N1	ZINC000779792117	585763808	/nfs/dbraw/zinc/76/38/08/585763808.db2.gz	OMPLXYTZXFZBFJ-QMMMGPOBSA-N	0	1	246.270	0.687	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(C#N)o2)N1	ZINC000779792756	585763945	/nfs/dbraw/zinc/76/39/45/585763945.db2.gz	TYHQAWRCPUIBQW-ZETCQYMHSA-N	0	1	217.232	0.422	20	30		BCEDMN
Cc1ncsc1C=NNC1=NC[C@H](C)N1	ZINC000779794276	585764328	/nfs/dbraw/zinc/76/43/28/585764328.db2.gz	GASNLSVWOGENEY-LURJTMIESA-N	0	1	223.305	0.723	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccccc2C#N)N1	ZINC000779795603	585764397	/nfs/dbraw/zinc/76/43/97/585764397.db2.gz	WIXDBILAUGQXGP-VIFPVBQESA-N	0	1	227.271	0.829	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn(C(C)(C)C)c2)N1	ZINC000779795328	585764401	/nfs/dbraw/zinc/76/44/01/585764401.db2.gz	SENOSMLVQYBTEX-VIFPVBQESA-N	0	1	248.334	0.909	20	30		BCEDMN
Cc1ccoc1C=NNC1=NC[C@@H](C)N1	ZINC000779795861	585764480	/nfs/dbraw/zinc/76/44/80/585764480.db2.gz	ZHACTCUOUXJJDY-MRVPVSSYSA-N	0	1	206.249	0.859	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc(C#N)c2)N1	ZINC000779800765	585764650	/nfs/dbraw/zinc/76/46/50/585764650.db2.gz	PVYUBJWRIRXPBW-VIFPVBQESA-N	0	1	227.271	0.829	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn3ccccc23)N1	ZINC000779801493	585764779	/nfs/dbraw/zinc/76/47/79/585764779.db2.gz	UPIOUGTXRULUSR-VIFPVBQESA-N	0	1	242.286	0.606	20	30		BCEDMN
C[C@H]1C[N@@H+](C)CC1N=Nc1ccncc1	ZINC000779811752	585766324	/nfs/dbraw/zinc/76/63/24/585766324.db2.gz	TZABNQLUGJAFJV-VIFPVBQESA-N	0	1	204.277	0.853	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2c(Cl)cnn2C)N1	ZINC000780242950	585774478	/nfs/dbraw/zinc/77/44/78/585774478.db2.gz	JYTQDQHFAOWVOR-ZCFIWIBFSA-N	0	1	240.698	0.345	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000780304834	585777558	/nfs/dbraw/zinc/77/75/58/585777558.db2.gz	BEAGFEMRFWXJBS-GMOBBJLQSA-N	0	1	248.282	0.399	20	30		BCEDMN
C#CCCCCCC(=O)NCc1nn[nH]n1	ZINC000780938141	585786784	/nfs/dbraw/zinc/78/67/84/585786784.db2.gz	HIRLUJOFIPMACI-UHFFFAOYSA-N	0	1	221.264	0.400	20	30		BCEDMN
Nc1ncc(C=[NH+][N-]c2cncc(Cl)n2)cn1	ZINC000781589343	585799935	/nfs/dbraw/zinc/79/99/35/585799935.db2.gz	HXCMLKNJFDOSOV-UHFFFAOYSA-N	0	1	249.665	0.948	20	30		BCEDMN
COc1cc(C(C)=NNC2=NC[C@@H](C)N2)ccn1	ZINC000782267499	585813467	/nfs/dbraw/zinc/81/34/67/585813467.db2.gz	JQRMTONZXNAYJO-MRVPVSSYSA-N	0	1	247.302	0.752	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](c1cccnc1)C1CC1	ZINC000782529921	585819433	/nfs/dbraw/zinc/81/94/33/585819433.db2.gz	CVBAVAQWWVENQB-CQSZACIVSA-N	0	1	243.310	0.872	20	30		BCEDMN
C#CCCCNC(=O)[C@@H](C)CN1CCOCC1	ZINC000783650403	585839455	/nfs/dbraw/zinc/83/94/55/585839455.db2.gz	PNARFULJTPJYGQ-LBPRGKRZSA-N	0	1	238.331	0.484	20	30		BCEDMN
CO[C@@H]1CN(CC(=O)NCCC#N)CC[C@@H]1C	ZINC000784363360	585857140	/nfs/dbraw/zinc/85/71/40/585857140.db2.gz	AFMALYVWAXNYKA-WDEREUQCSA-N	0	1	239.319	0.373	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784491390	585861423	/nfs/dbraw/zinc/86/14/23/585861423.db2.gz	SVFISBBKGNXZPV-IUCAKERBSA-N	0	1	244.266	0.452	20	30		BCEDMN
C#C[C@H](NCc1ccnc(N)c1)[C@H]1CCCO1	ZINC000785814402	585881308	/nfs/dbraw/zinc/88/13/08/585881308.db2.gz	NBGSCCTVGWTUAI-NWDGAFQWSA-N	0	1	231.299	0.934	20	30		BCEDMN
C#CCOCCNC(=O)[C@H]1CCCN1C1CC1	ZINC000787517049	585910757	/nfs/dbraw/zinc/91/07/57/585910757.db2.gz	XRYQBHKGYYDOSC-GFCCVEGCSA-N	0	1	236.315	0.379	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCCCCC#N	ZINC000805857456	585917075	/nfs/dbraw/zinc/91/70/75/585917075.db2.gz	UWFKPNFZRXZVNN-VIFPVBQESA-N	0	1	221.260	0.915	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cc(C)nn1C	ZINC000789036568	585934001	/nfs/dbraw/zinc/93/40/01/585934001.db2.gz	GKXSQXQKBKXWSB-QMMMGPOBSA-N	0	1	234.307	0.390	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)Nc1c[nH]nn1	ZINC000789925851	585953276	/nfs/dbraw/zinc/95/32/76/585953276.db2.gz	LHIVLCOGHTZGMM-ZETCQYMHSA-N	0	1	210.237	0.724	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)c1[nH]nnc1C	ZINC000789960894	585954652	/nfs/dbraw/zinc/95/46/52/585954652.db2.gz	WKYHXVOJFPQXRW-ZETCQYMHSA-N	0	1	221.264	0.735	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C[C@H](C)C#N)C1CC1	ZINC000790001880	585955984	/nfs/dbraw/zinc/95/59/84/585955984.db2.gz	DATMMVYBYRSYDX-SSDOTTSWSA-N	0	1	233.275	0.877	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N(C)C(C)C	ZINC000790504154	585965697	/nfs/dbraw/zinc/96/56/97/585965697.db2.gz	BMAJSXPZIKDZNB-NSHDSACASA-N	0	1	208.305	0.951	20	30		BCEDMN
C=C(CO)C(=O)NCc1nc2ccc(F)cc2[nH]1	ZINC000791375805	585979647	/nfs/dbraw/zinc/97/96/47/585979647.db2.gz	RQDBMSXKTVWVDN-UHFFFAOYSA-N	0	1	249.245	0.867	20	30		BCEDMN
N=C(N)NN=Cc1cnnn1Cc1ccccc1	ZINC000792962279	586007727	/nfs/dbraw/zinc/00/77/27/586007727.db2.gz	JILLENDYVLGTIN-UHFFFAOYSA-N	0	1	243.274	0.143	20	30		BCEDMN
O=C1C=C(NN=c2[nH]cncc2F)[C@@H]2CCCN12	ZINC000793212229	586014071	/nfs/dbraw/zinc/01/40/71/586014071.db2.gz	WFOVUHZDIQMDPU-VIFPVBQESA-N	0	1	249.249	0.778	20	30		BCEDMN
C#CCN1CCN(C(=O)CCc2cnc[nH]2)CC1	ZINC000793494498	586021084	/nfs/dbraw/zinc/02/10/84/586021084.db2.gz	YHMRCLRTSZAAJV-UHFFFAOYSA-N	0	1	246.314	0.120	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCSC	ZINC000794180491	586034007	/nfs/dbraw/zinc/03/40/07/586034007.db2.gz	KFVLAOKIXFXBMN-JTQLQIEISA-N	0	1	242.344	0.495	20	30		BCEDMN
COCc1cc(C=NNC2=NC[C@@H](C)N2)no1	ZINC000794926583	586055519	/nfs/dbraw/zinc/05/55/19/586055519.db2.gz	BLXDZOOVYQVHSZ-SSDOTTSWSA-N	0	1	237.263	0.092	20	30		BCEDMN
C#CCCCN1CC[C@@H](CS(C)(=O)=O)C1	ZINC000795087728	586068638	/nfs/dbraw/zinc/06/86/38/586068638.db2.gz	RIQYYUIKIZNMPT-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
CO[C@H]1C[C@@H](N(C)CC(=O)NCCC#N)C1	ZINC000796216152	586098943	/nfs/dbraw/zinc/09/89/43/586098943.db2.gz	CDSZFTFHJHBFQH-AOOOYVTPSA-N	0	1	225.292	0.125	20	30		BCEDMN
C#Cc1cncc(C(=O)N2CCCN(C)CC2)c1	ZINC000798272531	586142025	/nfs/dbraw/zinc/14/20/25/586142025.db2.gz	CLUMVGDMIZDLJO-UHFFFAOYSA-N	0	1	243.310	0.841	20	30		BCEDMN
NC(=O)CON=Cc1cc(C(F)(F)F)n[nH]1	ZINC000799485458	586179451	/nfs/dbraw/zinc/17/94/51/586179451.db2.gz	PIFRCLYCNZRRCK-UHFFFAOYSA-N	0	1	236.153	0.264	20	30		BCEDMN
CC#CC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000801175286	586245140	/nfs/dbraw/zinc/24/51/40/586245140.db2.gz	LNXUVRGXPSFHAW-QMMMGPOBSA-N	0	1	203.245	0.407	20	30		BCEDMN
CC#CC(=O)N1C[C@H](C)N(CC)C[C@H]1C	ZINC000801180324	586245555	/nfs/dbraw/zinc/24/55/55/586245555.db2.gz	VSXYQHCXXZHTIR-WDEREUQCSA-N	0	1	208.305	0.951	20	30		BCEDMN
CC#CC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C	ZINC000801216195	586248504	/nfs/dbraw/zinc/24/85/04/586248504.db2.gz	PQJYKSNEVILNOF-NSHDSACASA-N	0	1	238.331	0.313	20	30		BCEDMN
C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cnccn1	ZINC000807979057	586454480	/nfs/dbraw/zinc/45/44/80/586454480.db2.gz	LWJSOTAHWMNLKQ-GHMZBOCLSA-N	0	1	244.302	0.671	20	30		BCEDMN
C[C@H]1CC(N=Nc2nc[nH]n2)CN1C1CC1	ZINC000807997932	586457007	/nfs/dbraw/zinc/45/70/07/586457007.db2.gz	INUKIVDMLSCPRU-ZETCQYMHSA-N	0	1	220.280	0.829	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@H](c2cc[nH]n2)C1	ZINC000809571780	586507035	/nfs/dbraw/zinc/50/70/35/586507035.db2.gz	BSDSJOPBOWVCGK-WDEREUQCSA-N	0	1	234.303	0.864	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@@H](C)[C@H]1C	ZINC000809746665	586517111	/nfs/dbraw/zinc/51/71/11/586517111.db2.gz	XOCHEMCHWHZYRL-DTWKUNHWSA-N	0	1	213.281	0.170	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@H](C)[C@@H]1C	ZINC000809746664	586517504	/nfs/dbraw/zinc/51/75/04/586517504.db2.gz	XOCHEMCHWHZYRL-BDAKNGLRSA-N	0	1	213.281	0.170	20	30		BCEDMN
C#CCCNS(=O)(=O)CCN(CC)CC	ZINC000810049262	586532501	/nfs/dbraw/zinc/53/25/01/586532501.db2.gz	UWQRKKALECUCMV-UHFFFAOYSA-N	0	1	232.349	0.271	20	30		BCEDMN
CC(C)[C@H](C(=O)OCC1(C#N)COC1)N(C)C	ZINC000811045805	586553684	/nfs/dbraw/zinc/55/36/84/586553684.db2.gz	LPQIGNNIILRMQW-SNVBAGLBSA-N	0	1	240.303	0.656	20	30		BCEDMN
CN(C)c1ncc(CN=Nc2cccnn2)n1C	ZINC000811643597	586562616	/nfs/dbraw/zinc/56/26/16/586562616.db2.gz	HRTMVLQKVAVXQH-UHFFFAOYSA-N	0	1	245.290	0.722	20	30		BCEDMN
CC[C@H](O)CNN=C1CCN2CCC[C@H]12	ZINC000811652550	586563468	/nfs/dbraw/zinc/56/34/68/586563468.db2.gz	PHBGBWDVOUVNQD-GXSJLCMTSA-N	0	1	211.309	0.571	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000812011208	586569595	/nfs/dbraw/zinc/56/95/95/586569595.db2.gz	REIYBVUIGOLSLD-WDEREUQCSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NCc1cc(C)[nH]n1	ZINC000812051804	586569653	/nfs/dbraw/zinc/56/96/53/586569653.db2.gz	ITLOLIRJTIHPRW-VIFPVBQESA-N	0	1	220.276	0.881	20	30		BCEDMN
C#CCN(C)C(=O)NCc1cc(C)[nH]n1	ZINC000812052962	586570019	/nfs/dbraw/zinc/57/00/19/586570019.db2.gz	ZHBXOSKYRXAIGH-UHFFFAOYSA-N	0	1	206.249	0.493	20	30		BCEDMN
C#CCON=Cc1cnc(N(C)C)n1C	ZINC000812233875	586571263	/nfs/dbraw/zinc/57/12/63/586571263.db2.gz	ZJDHFSSEQCMKAX-UHFFFAOYSA-N	0	1	206.249	0.470	20	30		BCEDMN
C#CCONC(=O)c1ccc(O)c(F)c1	ZINC000812781112	586584286	/nfs/dbraw/zinc/58/42/86/586584286.db2.gz	GFJVVEPWQURWAK-UHFFFAOYSA-N	0	1	209.176	0.826	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840310529	586611857	/nfs/dbraw/zinc/61/18/57/586611857.db2.gz	KXMJWQRMBDQASR-DJLDLDEBSA-N	0	1	225.248	0.706	20	30		BCEDMN
Cn1ccc(C=NNCCN2CCCCC2)n1	ZINC000814808782	586636276	/nfs/dbraw/zinc/63/62/76/586636276.db2.gz	SJGRRGOBKLFAPH-UHFFFAOYSA-N	0	1	235.335	0.830	20	30		BCEDMN
C(CN1CCCCC1)NN=C1COCCOC1	ZINC000814808131	586636434	/nfs/dbraw/zinc/63/64/34/586636434.db2.gz	DCYPPNRANXVVKS-UHFFFAOYSA-N	0	1	241.335	0.465	20	30		BCEDMN
Cc1ccc(NN=Cc2cnn(C)n2)nn1	ZINC000814840650	586638150	/nfs/dbraw/zinc/63/81/50/586638150.db2.gz	PDMWYKAKJBWSSK-UHFFFAOYSA-N	0	1	217.236	0.360	20	30		BCEDMN
Cc1cccc(C=NNC2=NC[C@@H](C)N2)c1O	ZINC000814898171	586645457	/nfs/dbraw/zinc/64/54/57/586645457.db2.gz	RCXDWYKXGHHXQB-SECBINFHSA-N	0	1	232.287	0.972	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1ccc(N)nc1	ZINC000814897760	586645538	/nfs/dbraw/zinc/64/55/38/586645538.db2.gz	MSISSDHKANEIAO-SSDOTTSWSA-N	0	1	232.291	0.325	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2nc3c(s2)CCC3)N1	ZINC000814898964	586645671	/nfs/dbraw/zinc/64/56/71/586645671.db2.gz	XNXPVZNAWJLRLH-ZETCQYMHSA-N	0	1	249.343	0.903	20	30		BCEDMN
CC(N=Nc1cncnc1)c1cnnn1C	ZINC000814926642	586651948	/nfs/dbraw/zinc/65/19/48/586651948.db2.gz	CSJFHESRXYBBIO-UHFFFAOYSA-N	0	1	217.236	0.441	20	30		BCEDMN
Cn1ccc(CN=Nc2cncnc2)n1	ZINC000814926926	586652304	/nfs/dbraw/zinc/65/23/04/586652304.db2.gz	QHVOMQMDILHLBJ-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
Cc1c[nH]nc1CN=Nc1cncnc1	ZINC000814926923	586652455	/nfs/dbraw/zinc/65/24/55/586652455.db2.gz	QEBBNUHZFBYNAZ-UHFFFAOYSA-N	0	1	202.221	0.954	20	30		BCEDMN
OCCNN=Cc1cccc(Cl)c1O	ZINC000814942529	586656587	/nfs/dbraw/zinc/65/65/87/586656587.db2.gz	HMKVOAYJXBCVSV-UHFFFAOYSA-N	0	1	214.652	0.961	20	30		BCEDMN
CC(=NNc1cnnn1C)c1cc(C)nn1C	ZINC000814983742	586662634	/nfs/dbraw/zinc/66/26/34/586662634.db2.gz	NZYNRIGXEZISPR-UHFFFAOYSA-N	0	1	233.279	0.693	20	30		BCEDMN
Cn1ccc(C=NNc2cnnn2C)c1	ZINC000814982004	586663103	/nfs/dbraw/zinc/66/31/03/586663103.db2.gz	NIMHPVBYQOESLA-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CC1(C#N)CC1	ZINC000815910162	586697041	/nfs/dbraw/zinc/69/70/41/586697041.db2.gz	QRDOTZBZSMOWPR-SECBINFHSA-N	0	1	233.271	0.914	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCCCc1nc[nH]n1	ZINC000816489999	586735842	/nfs/dbraw/zinc/73/58/42/586735842.db2.gz	JFMCKSAEOUTKAU-UHFFFAOYSA-N	0	1	244.298	0.516	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000816669665	586753815	/nfs/dbraw/zinc/75/38/15/586753815.db2.gz	YLJMUUVOJYYQSC-JQWIXIFHSA-N	0	1	236.315	0.114	20	30		BCEDMN
C=C[C@H](O)C(=O)NCCCc1cn[nH]c1C	ZINC000816913409	586771012	/nfs/dbraw/zinc/77/10/12/586771012.db2.gz	IMBHBYPUAUOVFO-JTQLQIEISA-N	0	1	223.276	0.314	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840333920	586781816	/nfs/dbraw/zinc/78/18/16/586781816.db2.gz	XTZGJTNMQYXCJP-BWZBUEFSSA-N	0	1	211.221	0.316	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+](C)CCC(=O)[O-]	ZINC000817681154	586817338	/nfs/dbraw/zinc/81/73/38/586817338.db2.gz	ZYGAZCUNXOUWDZ-VIFPVBQESA-N	0	1	201.266	0.720	20	30		BCEDMN
C#CCCC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819700953	586987680	/nfs/dbraw/zinc/98/76/80/586987680.db2.gz	SNJUKWAOPWAKAA-JTQLQIEISA-N	0	1	240.303	0.311	20	30		BCEDMN
Nc1cnccc1C=NNC1CCOCC1	ZINC000819809628	586996808	/nfs/dbraw/zinc/99/68/08/586996808.db2.gz	VPIFCKDAIVSYCQ-UHFFFAOYSA-N	0	1	220.276	0.766	20	30		BCEDMN
C#CCNC(=O)NCc1n[nH]c(C(C)C)n1	ZINC000820207334	587034953	/nfs/dbraw/zinc/03/49/53/587034953.db2.gz	DNYHDKRZKJBWTJ-UHFFFAOYSA-N	0	1	221.264	0.361	20	30		BCEDMN
C[C@@H]1CC(=NNCCC(=O)[O-])C[N@@H+]1C1CC1	ZINC000820220584	587036310	/nfs/dbraw/zinc/03/63/10/587036310.db2.gz	BLPNUQYDGIUVTA-MRVPVSSYSA-N	0	1	225.292	0.663	20	30		BCEDMN
C[C@@H]1CC(=NNCCC(=O)[O-])C[N@H+]1C1CC1	ZINC000820220584	587036311	/nfs/dbraw/zinc/03/63/11/587036311.db2.gz	BLPNUQYDGIUVTA-MRVPVSSYSA-N	0	1	225.292	0.663	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCCCc1nc[nH]n1	ZINC000820394577	587045688	/nfs/dbraw/zinc/04/56/88/587045688.db2.gz	MAKKSIPVXASLNS-MRVPVSSYSA-N	0	1	221.264	0.058	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000820428683	587048365	/nfs/dbraw/zinc/04/83/65/587048365.db2.gz	REZHZFPLMKVDTI-NEPJUHHUSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#CCN(C)CCCNC(=O)c1coc(C=O)c1	ZINC000820680746	587065567	/nfs/dbraw/zinc/06/55/67/587065567.db2.gz	OQPYVNQIKAOEGJ-UHFFFAOYSA-N	0	1	248.282	0.777	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)[C@@H](C)N(C)C	ZINC000821329880	587108374	/nfs/dbraw/zinc/10/83/74/587108374.db2.gz	NYQZMZCALXAZML-SNVBAGLBSA-N	0	1	242.319	0.514	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cnc(Cl)n2C)=NO1	ZINC000821399221	587117383	/nfs/dbraw/zinc/11/73/83/587117383.db2.gz	ARFSJSPFNIRWLN-YFKPBYRVSA-N	0	1	242.666	0.926	20	30		BCEDMN
C=CCONC(=O)Cc1cn(CC)nn1	ZINC000821891514	587145797	/nfs/dbraw/zinc/14/57/97/587145797.db2.gz	FTWNOUVKRVUAHJ-UHFFFAOYSA-N	0	1	210.237	0.074	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN1CCCC1	ZINC000821911845	587146372	/nfs/dbraw/zinc/14/63/72/587146372.db2.gz	FRWWZKNKTGHTMK-JTQLQIEISA-N	0	1	212.293	0.135	20	30		BCEDMN
C#CCN(C(=O)CCCc1nn[nH]n1)C1CC1	ZINC000821960444	587147625	/nfs/dbraw/zinc/14/76/25/587147625.db2.gz	IIESELZAFIKIEU-UHFFFAOYSA-N	0	1	233.275	0.147	20	30		BCEDMN
C#C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCO1	ZINC000822072851	587151272	/nfs/dbraw/zinc/15/12/72/587151272.db2.gz	NHFKYSMEEIWDKY-VXGBXAGGSA-N	0	1	236.315	0.379	20	30		BCEDMN
N#CCCNC(=O)CN1C2CCC1CC2	ZINC000822783544	587185657	/nfs/dbraw/zinc/18/56/57/587185657.db2.gz	KEWMQMOSOCPWFN-UHFFFAOYSA-N	0	1	207.277	0.643	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NCc1cc(CC)[nH]n1	ZINC000823287489	587213969	/nfs/dbraw/zinc/21/39/69/587213969.db2.gz	ZUGVVRGYDWKXEI-VIFPVBQESA-N	0	1	235.287	0.627	20	30		BCEDMN
C#C[C@H](CO)NC(=O)[C@H]1CCN1C1CCCC1	ZINC000823313650	587216186	/nfs/dbraw/zinc/21/61/86/587216186.db2.gz	BRDKMWQOCPHGRB-ZYHUDNBSSA-N	0	1	236.315	0.114	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823450777	587223174	/nfs/dbraw/zinc/22/31/74/587223174.db2.gz	IYJCMYLTPIAAKY-VHSXEESVSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823495968	587226899	/nfs/dbraw/zinc/22/68/99/587226899.db2.gz	BLDMTJGGENEMNI-WDEREUQCSA-N	0	1	242.319	0.998	20	30		BCEDMN
COCCN(CC#N)C(=O)CN1CCCC1	ZINC000823495066	587227023	/nfs/dbraw/zinc/22/70/23/587227023.db2.gz	WLWVSTHOJAGGSE-UHFFFAOYSA-N	0	1	225.292	0.081	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823496209	587227189	/nfs/dbraw/zinc/22/71/89/587227189.db2.gz	FVASVFSSLWMNFS-WDEREUQCSA-N	0	1	242.319	0.998	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)CN2CCCC2)C1	ZINC000823781999	587240053	/nfs/dbraw/zinc/24/00/53/587240053.db2.gz	IOLJYHLNKWPZFV-WDEREUQCSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCn1cc(CNC(=O)CN2CCCC2)nn1	ZINC000823776618	587240329	/nfs/dbraw/zinc/24/03/29/587240329.db2.gz	TYEHZAHYAIGPRP-UHFFFAOYSA-N	0	1	249.318	0.176	20	30		BCEDMN
C#CCCCn1cccc(-c2nn[nH]n2)c1=O	ZINC000823844810	587242895	/nfs/dbraw/zinc/24/28/95/587242895.db2.gz	JHWPHKFFEYDCDG-UHFFFAOYSA-N	0	1	229.243	0.442	20	30		BCEDMN
CON=CC(=O)N(C)Cc1cn[nH]c1C	ZINC000824056303	587252476	/nfs/dbraw/zinc/25/24/76/587252476.db2.gz	HPYQSCLJSMCSQV-UHFFFAOYSA-N	0	1	210.237	0.309	20	30		BCEDMN
CC(C)(C#N)CNc1nccnc1-c1nn[nH]n1	ZINC000824059106	587252865	/nfs/dbraw/zinc/25/28/65/587252865.db2.gz	MOLPBCUXQTXGPX-UHFFFAOYSA-N	0	1	244.262	0.618	20	30		BCEDMN
C#CCCN(CCOC)C(=O)CN1CCCC1	ZINC000824749388	587285684	/nfs/dbraw/zinc/28/56/84/587285684.db2.gz	YOJRJWAUMIUDRR-UHFFFAOYSA-N	0	1	238.331	0.581	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000825620083	587327555	/nfs/dbraw/zinc/32/75/55/587327555.db2.gz	VDQJYPIAHIDQET-UWVGGRQHSA-N	0	1	238.287	0.063	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000825620083	587327556	/nfs/dbraw/zinc/32/75/56/587327556.db2.gz	VDQJYPIAHIDQET-UWVGGRQHSA-N	0	1	238.287	0.063	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000825665098	587330460	/nfs/dbraw/zinc/33/04/60/587330460.db2.gz	UHARZZZGUSGJNP-QWRGUYRKSA-N	0	1	243.303	0.489	20	30		BCEDMN
C#C[C@H](NCc1cncnc1)C1CCOCC1	ZINC000827569751	587388844	/nfs/dbraw/zinc/38/88/44/587388844.db2.gz	FQFIJPDYFMRKMQ-ZDUSSCGKSA-N	0	1	231.299	0.995	20	30		BCEDMN
N#Cc1cnccc1CN[C@H](CO)C1CC1	ZINC000828252448	587428057	/nfs/dbraw/zinc/42/80/57/587428057.db2.gz	VTNOGXLRFDMZOQ-GFCCVEGCSA-N	0	1	217.272	0.814	20	30		BCEDMN
C#C[C@H](NC[C@](C)(O)C(C)=O)[C@H]1CCCO1	ZINC000828954890	587474736	/nfs/dbraw/zinc/47/47/36/587474736.db2.gz	YBWZIBIAORNGFN-TUAOUCFPSA-N	0	1	225.288	0.097	20	30		BCEDMN
C#CCCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000828995973	587478239	/nfs/dbraw/zinc/47/82/39/587478239.db2.gz	YDZWCEVIFMESBY-SECBINFHSA-N	0	1	232.287	0.754	20	30		BCEDMN
COC1CC(C(=O)C(C#N)C(=O)NC2CC2)C1	ZINC000860473135	589101940	/nfs/dbraw/zinc/10/19/40/589101940.db2.gz	ILUQGDNNOKFCEX-YXGXMSFMSA-N	0	1	236.271	0.399	20	30		BCEDMN
CN(C)CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000829511868	587501484	/nfs/dbraw/zinc/50/14/84/587501484.db2.gz	AMEYIRFLACPIEK-ZDUSSCGKSA-N	0	1	243.310	0.703	20	30		BCEDMN
CC(C)C#CC(=O)N1CCNC(C)(C)C1	ZINC000829583326	587505037	/nfs/dbraw/zinc/50/50/37/587505037.db2.gz	RWQWOVYQHFEGNL-UHFFFAOYSA-N	0	1	208.305	0.856	20	30		BCEDMN
N#C[C@]1(C(=O)N2CCC(N)=N2)CC12CCCC2	ZINC000829848710	587523632	/nfs/dbraw/zinc/52/36/32/587523632.db2.gz	OSXDANMYZDZUEJ-LBPRGKRZSA-N	0	1	232.287	0.607	20	30		BCEDMN
C=C(C)COCCNC(=O)C1=NC(=O)N(C)C1	ZINC000830290711	587545034	/nfs/dbraw/zinc/54/50/34/587545034.db2.gz	GUEBJJNXSVUKHL-UHFFFAOYSA-N	0	1	239.275	0.448	20	30		BCEDMN
C#CC1CCN(CC(=O)NCCOCC)CC1	ZINC000830330383	587546417	/nfs/dbraw/zinc/54/64/17/587546417.db2.gz	XJQSZCNLVMMFHS-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NCCN1CC=CCC1	ZINC000830972396	587578894	/nfs/dbraw/zinc/57/88/94/587578894.db2.gz	NHHSUSGYYGVNDX-GFCCVEGCSA-N	0	1	236.315	0.403	20	30		BCEDMN
N#CCSCCC[N@@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000831109605	587586695	/nfs/dbraw/zinc/58/66/95/587586695.db2.gz	ONQLLSGEWFQUHO-VIFPVBQESA-N	0	1	243.332	0.975	20	30		BCEDMN
C[C@@H]1CC(NC(=O)C2(N(C)C)CC2)=NO1	ZINC000831398640	587602040	/nfs/dbraw/zinc/60/20/40/587602040.db2.gz	DZORPYZOIWOHPN-SSDOTTSWSA-N	0	1	211.265	0.319	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1	ZINC000831690084	587627748	/nfs/dbraw/zinc/62/77/48/587627748.db2.gz	COGRDTXXESACIM-MRVPVSSYSA-N	0	1	239.275	0.040	20	30		BCEDMN
C#C[C@@H](NC(=O)C1(N(C)C)CC1)[C@H]1CCCO1	ZINC000832411743	587658974	/nfs/dbraw/zinc/65/89/74/587658974.db2.gz	JXNOLHLITSUSMY-GHMZBOCLSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCC[N@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000833362319	587708375	/nfs/dbraw/zinc/70/83/75/587708375.db2.gz	LTDKXWGFLDCZIQ-JTQLQIEISA-N	0	1	213.277	0.820	20	30		BCEDMN
C#CCC[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000833362349	587708516	/nfs/dbraw/zinc/70/85/16/587708516.db2.gz	NFQBHNCLVHTXLI-NSHDSACASA-N	0	1	225.288	0.965	20	30		BCEDMN
C#CC[N@H+](CCC(=O)[O-])CC(OC)OC	ZINC000833364959	587708905	/nfs/dbraw/zinc/70/89/05/587708905.db2.gz	WFPXFEMNSQPLGW-UHFFFAOYSA-N	0	1	215.249	0.015	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000833368207	587709285	/nfs/dbraw/zinc/70/92/85/587709285.db2.gz	CRUFOYWUSFMQFN-BDAKNGLRSA-N	0	1	201.266	0.576	20	30		BCEDMN
C#CC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833787520	587731860	/nfs/dbraw/zinc/73/18/60/587731860.db2.gz	RTSKKJFYWRKXCY-SNVBAGLBSA-N	0	1	208.261	0.836	20	30		BCEDMN
C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CCC#N	ZINC000833834717	587735570	/nfs/dbraw/zinc/73/55/70/587735570.db2.gz	QIJALLOUAQPTJJ-IUCAKERBSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC#N	ZINC000833834717	587735572	/nfs/dbraw/zinc/73/55/72/587735572.db2.gz	QIJALLOUAQPTJJ-IUCAKERBSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CCC#N	ZINC000833834718	587735707	/nfs/dbraw/zinc/73/57/07/587735707.db2.gz	QIJALLOUAQPTJJ-RKDXNWHRSA-N	0	1	211.265	0.878	20	30		BCEDMN
C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC#N	ZINC000833834718	587735708	/nfs/dbraw/zinc/73/57/08/587735708.db2.gz	QIJALLOUAQPTJJ-RKDXNWHRSA-N	0	1	211.265	0.878	20	30		BCEDMN
C=CCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834480179	587756008	/nfs/dbraw/zinc/75/60/08/587756008.db2.gz	MGWPUXBHKKPRON-NXEZZACHSA-N	0	1	207.277	0.570	20	30		BCEDMN
CC1(C)C(C(=O)N[C@H]2CNC[C@H]2C#N)C1(C)C	ZINC000834479393	587756028	/nfs/dbraw/zinc/75/60/28/587756028.db2.gz	DJOKJFQDLNTATD-BDAKNGLRSA-N	0	1	235.331	0.896	20	30		BCEDMN
CCC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCC1	ZINC000834479415	587756034	/nfs/dbraw/zinc/75/60/34/587756034.db2.gz	DMDFAVXOXYKVBX-UWVGGRQHSA-N	0	1	221.304	0.794	20	30		BCEDMN
C[C@]1(C(=O)N[C@H]2CNC[C@H]2C#N)CC1(F)F	ZINC000834485650	587756789	/nfs/dbraw/zinc/75/67/89/587756789.db2.gz	ZTWCGJPESZPXOU-BKPPORCPSA-N	0	1	229.230	0.259	20	30		BCEDMN
Cc1cncc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834490539	587757063	/nfs/dbraw/zinc/75/70/63/587757063.db2.gz	VQRWPFIGZZPSKP-WDEREUQCSA-N	0	1	230.271	0.231	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)on1	ZINC000834489756	587757103	/nfs/dbraw/zinc/75/71/03/587757103.db2.gz	PDGQBHUVRCIZLA-WCBMZHEXSA-N	0	1	248.286	0.639	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)n1	ZINC000834493896	587757180	/nfs/dbraw/zinc/75/71/80/587757180.db2.gz	ILUYLLDUQQRGCA-ZYHUDNBSSA-N	0	1	244.298	0.540	20	30		BCEDMN
Cc1ccncc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834489042	587757225	/nfs/dbraw/zinc/75/72/25/587757225.db2.gz	IRFGTKQMKHGOJJ-GXSJLCMTSA-N	0	1	230.271	0.231	20	30		BCEDMN
C[C@H](OCC1CC1)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834493389	587757241	/nfs/dbraw/zinc/75/72/41/587757241.db2.gz	DFPGFMWTQBHKOU-GDPRMGEGSA-N	0	1	237.303	0.029	20	30		BCEDMN
Cc1cccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834495667	587757316	/nfs/dbraw/zinc/75/73/16/587757316.db2.gz	XNWLQVPYJBGOMN-QWHCGFSZSA-N	0	1	243.310	0.765	20	30		BCEDMN
Cc1nscc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834499431	587757345	/nfs/dbraw/zinc/75/73/45/587757345.db2.gz	IKXCYEXMYGSEGE-APPZFPTMSA-N	0	1	236.300	0.293	20	30		BCEDMN
Cc1ccc(F)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834495816	587757582	/nfs/dbraw/zinc/75/75/82/587757582.db2.gz	ZWOKMYNGHUGWDX-CABZTGNLSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/c1ccsc1	ZINC000834499391	587757611	/nfs/dbraw/zinc/75/76/11/587757611.db2.gz	IALPUWLWZQAZIK-COUIAZAYSA-N	0	1	247.323	0.989	20	30		BCEDMN
COCCCCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834494238	587757636	/nfs/dbraw/zinc/75/76/36/587757636.db2.gz	LXJBMKXPMOAJEG-ZJUUUORDSA-N	0	1	225.292	0.031	20	30		BCEDMN
CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834501137	587757707	/nfs/dbraw/zinc/75/77/07/587757707.db2.gz	ZMUSCMUNXOJWKX-UKKRHICBSA-N	0	1	223.320	0.896	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccccc1	ZINC000834505454	587757709	/nfs/dbraw/zinc/75/77/09/587757709.db2.gz	LEAMDXGPBWSMHJ-STQMWFEESA-N	0	1	243.310	0.847	20	30		BCEDMN
C[C@]1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCOC1	ZINC000834500335	587757842	/nfs/dbraw/zinc/75/78/42/587757842.db2.gz	SEDDXCGXXYXUNE-UMNHJUIQSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CCCCC1	ZINC000834505423	587757958	/nfs/dbraw/zinc/75/79/58/587757958.db2.gz	KPEJICRMELOTKQ-GHMZBOCLSA-N	0	1	221.304	0.794	20	30		BCEDMN
C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)O1	ZINC000834504403	587758043	/nfs/dbraw/zinc/75/80/43/587758043.db2.gz	AULNCEMGVKNEPD-HPENLJRUSA-N	0	1	237.303	0.028	20	30		BCEDMN
Cc1occc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834512049	587758141	/nfs/dbraw/zinc/75/81/41/587758141.db2.gz	RIIQMJJTRXWEIO-PSASIEDQSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1	ZINC000834507271	587758158	/nfs/dbraw/zinc/75/81/58/587758158.db2.gz	ZFBMVFDVXDIYNS-RYUDHWBXSA-N	0	1	229.283	0.836	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1cccc(F)c1	ZINC000834506970	587758176	/nfs/dbraw/zinc/75/81/76/587758176.db2.gz	WSQUIQKAGBNUBT-PWSUYJOCSA-N	0	1	247.273	0.596	20	30		BCEDMN
Cc1occc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834512051	587758292	/nfs/dbraw/zinc/75/82/92/587758292.db2.gz	RIIQMJJTRXWEIO-WCBMZHEXSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(Cl)c[nH]1	ZINC000834510439	587758372	/nfs/dbraw/zinc/75/83/72/587758372.db2.gz	AVOKJXNZJGJFFW-MUWHJKNJSA-N	0	1	238.678	0.509	20	30		BCEDMN
CCOCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1	ZINC000834506308	587758385	/nfs/dbraw/zinc/75/83/85/587758385.db2.gz	RVWBIGXMXPTCGK-VHSXEESVSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)n1	ZINC000834517614	587758436	/nfs/dbraw/zinc/75/84/36/587758436.db2.gz	XPOVBUYXSXPGFU-KOLCDFICSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cn1	ZINC000834516764	587758627	/nfs/dbraw/zinc/75/86/27/587758627.db2.gz	LTRXROHQLIPYEJ-GHMZBOCLSA-N	0	1	230.271	0.231	20	30		BCEDMN
C=CCCCNC(=O)C1=NC(=O)N(C)C1	ZINC000834732755	587765099	/nfs/dbraw/zinc/76/50/99/587765099.db2.gz	NGGKAUWPZIDLGQ-UHFFFAOYSA-N	0	1	209.249	0.822	20	30		BCEDMN
Cc1cccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)n1	ZINC000841182351	587948371	/nfs/dbraw/zinc/94/83/71/587948371.db2.gz	KYEPMQIBBQYBEB-VHSXEESVSA-N	0	1	245.286	0.623	20	30		BCEDMN
Cc1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)n1	ZINC000841182349	587948554	/nfs/dbraw/zinc/94/85/54/587948554.db2.gz	KYEPMQIBBQYBEB-NXEZZACHSA-N	0	1	245.286	0.623	20	30		BCEDMN
Fc1ccc2c(c1)OCCC2=NNC1=NCCN1	ZINC000841659424	587969467	/nfs/dbraw/zinc/96/94/67/587969467.db2.gz	KLGOVYVZZSEXHN-UHFFFAOYSA-N	0	1	248.261	0.861	20	30		BCEDMN
Oc1cccc2c1C(=NNC1=NCCN1)CC2	ZINC000841660548	587969771	/nfs/dbraw/zinc/96/97/71/587969771.db2.gz	RDFXSBGYZLLBJU-UHFFFAOYSA-N	0	1	230.271	0.591	20	30		BCEDMN
C[C@@H]1CN(C2CC2)CC1N=NC1=NCCN1	ZINC000841661502	587969991	/nfs/dbraw/zinc/96/99/91/587969991.db2.gz	PWFAUKFPCWLHEG-MRVPVSSYSA-N	0	1	221.308	0.005	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)s1	ZINC000841661388	587970037	/nfs/dbraw/zinc/97/00/37/587970037.db2.gz	OOCLRXFYJVYJPG-UHFFFAOYSA-N	0	1	224.289	0.639	20	30		BCEDMN
COc1cccc(C)c1C=NNC1=NCCN1	ZINC000841661041	587970268	/nfs/dbraw/zinc/97/02/68/587970268.db2.gz	VBZDJLTXMQIVMZ-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
COc1cccc(C=NNC2=NCCN2)c1	ZINC000841661261	587970457	/nfs/dbraw/zinc/97/04/57/587970457.db2.gz	LXAWNGQBFCXFMZ-UHFFFAOYSA-N	0	1	218.260	0.578	20	30		BCEDMN
CCOc1cccc(C=NNC2=NCCN2)n1	ZINC000841660889	587970527	/nfs/dbraw/zinc/97/05/27/587970527.db2.gz	KGJWIYRXCPLRPI-UHFFFAOYSA-N	0	1	233.275	0.363	20	30		BCEDMN
C=C(Br)CNC(=O)N1CCNCC1	ZINC000841746020	587973867	/nfs/dbraw/zinc/97/38/67/587973867.db2.gz	UEXYTRCHGTUGSR-UHFFFAOYSA-N	0	1	248.124	0.510	20	30		BCEDMN
C#CCCCNC(=O)N1CCN[C@H](C)C1	ZINC000841886716	587981492	/nfs/dbraw/zinc/98/14/92/587981492.db2.gz	RCMOZNGUPDCCAT-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
CCN(CCO)N=C(C)c1ccc(N)nc1	ZINC000842538061	588036815	/nfs/dbraw/zinc/03/68/15/588036815.db2.gz	KGKRZEONOKEZAE-UHFFFAOYSA-N	0	1	222.292	0.702	20	30		BCEDMN
C#CC[C@H]1CCCN(CN2CC(=O)N(C)C2=O)C1	ZINC000842629826	588046667	/nfs/dbraw/zinc/04/66/67/588046667.db2.gz	SAJJATVALGIZRA-NSHDSACASA-N	0	1	249.314	0.573	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)C1(F)CC1	ZINC000842684586	588052494	/nfs/dbraw/zinc/05/24/94/588052494.db2.gz	IPUTTYQQGRGULI-SSDOTTSWSA-N	0	1	210.208	0.476	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\C1CCOCC1	ZINC000843459971	588112560	/nfs/dbraw/zinc/11/25/60/588112560.db2.gz	JXCLDYMCPRBARF-JZIZGNRHSA-N	0	1	249.314	0.197	20	30		BCEDMN
Cc1c[nH]cc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000843464237	588112984	/nfs/dbraw/zinc/11/29/84/588112984.db2.gz	ZXVXOBMFOKVZRW-WPRPVWTQSA-N	0	1	218.260	0.165	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)CN(C)C)C1	ZINC000844002546	588154478	/nfs/dbraw/zinc/15/44/78/588154478.db2.gz	XTTDTWXUCAOHJD-LLVKDONJSA-N	0	1	208.305	0.810	20	30		BCEDMN
CS[C@H](C)CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000844194807	588172837	/nfs/dbraw/zinc/17/28/37/588172837.db2.gz	MHKOYDIUSLWYJO-IWSPIJDZSA-N	0	1	227.333	0.356	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1cccnc1	ZINC000844194238	588172911	/nfs/dbraw/zinc/17/29/11/588172911.db2.gz	CRUMBZJDLGFYGL-LXYZTQFVSA-N	0	1	242.282	0.323	20	30		BCEDMN
C#CCCN1CC(C)(C)O[C@@H]2COC[C@H]21	ZINC000844471145	588198284	/nfs/dbraw/zinc/19/82/84/588198284.db2.gz	UVJMPIYTFCHZIP-GHMZBOCLSA-N	0	1	209.289	0.888	20	30		BCEDMN
COc1cccc(C(C)=NNC2=NCCN2)c1O	ZINC000844603195	588207868	/nfs/dbraw/zinc/20/78/68/588207868.db2.gz	YVVBGDYRXVNSHS-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
C=C(C)CONC(=O)NCC[N@H+](C)C1CC1	ZINC000845598043	588234794	/nfs/dbraw/zinc/23/47/94/588234794.db2.gz	VWBCJOSKFDJGSA-UHFFFAOYSA-N	0	1	227.308	0.888	20	30		BCEDMN
C=C(C)CONC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000845605729	588235767	/nfs/dbraw/zinc/23/57/67/588235767.db2.gz	MEYSHPHVDURVBM-ZETCQYMHSA-N	0	1	225.252	0.673	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000845616505	588236588	/nfs/dbraw/zinc/23/65/88/588236588.db2.gz	KMLFCXABGXXDBN-BQBZGAKWSA-N	0	1	239.279	0.979	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)N1CCCN(C)CC1	ZINC000845639163	588238955	/nfs/dbraw/zinc/23/89/55/588238955.db2.gz	OQCBFBDODHBYFJ-SNVBAGLBSA-N	0	1	227.308	0.840	20	30		BCEDMN
C=C[C@H](C)ONC(=O)N[C@H]1CCCN(C)C1	ZINC000845639464	588239254	/nfs/dbraw/zinc/23/92/54/588239254.db2.gz	PXDAKZKPLFYYCT-UWVGGRQHSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+](CC=C)CC(=O)[O-]	ZINC000846263852	588263396	/nfs/dbraw/zinc/26/33/96/588263396.db2.gz	ZJKRJNUIYDUMCB-SNVBAGLBSA-N	0	1	213.277	0.886	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1cncn1C	ZINC000846551273	588275708	/nfs/dbraw/zinc/27/57/08/588275708.db2.gz	ZBHZJTWWTANAKU-MRVPVSSYSA-N	0	1	209.249	0.585	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(O)c1	ZINC000846676610	588281967	/nfs/dbraw/zinc/28/19/67/588281967.db2.gz	FQSMLJLDBSTPLY-GXSJLCMTSA-N	0	1	245.282	0.542	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(O)c1	ZINC000846676613	588282063	/nfs/dbraw/zinc/28/20/63/588282063.db2.gz	FQSMLJLDBSTPLY-ONGXEEELSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#Cc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000846679178	588282285	/nfs/dbraw/zinc/28/22/85/588282285.db2.gz	YQBWOINGJUEGOO-RYUDHWBXSA-N	0	1	240.266	0.400	20	30		BCEDMN
C=CCCn1cc(CN2CCN(C)[C@H](C)C2)nn1	ZINC000846838259	588292358	/nfs/dbraw/zinc/29/23/58/588292358.db2.gz	YGKPSICXTOSHMR-GFCCVEGCSA-N	0	1	249.362	0.990	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N(C)CC)C1	ZINC000847023062	588303183	/nfs/dbraw/zinc/30/31/83/588303183.db2.gz	KTQSQCJPAOZWSH-LLVKDONJSA-N	0	1	208.305	0.810	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)C(C)C	ZINC000847113137	588306652	/nfs/dbraw/zinc/30/66/52/588306652.db2.gz	CWJHHFRLPTVONR-ZJUUUORDSA-N	0	1	246.314	0.999	20	30		BCEDMN
C[C@H](Cc1cnc[nH]1)C(=O)NC1=NO[C@@H](C)C1	ZINC000847624482	588319267	/nfs/dbraw/zinc/31/92/67/588319267.db2.gz	RKQWFQQSABCJJX-SFYZADRCSA-N	0	1	236.275	0.827	20	30		BCEDMN
C#CCOCCNC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000847719060	588327286	/nfs/dbraw/zinc/32/72/86/588327286.db2.gz	IZZYKAXKLROGRJ-SNVBAGLBSA-N	0	1	235.287	0.354	20	30		BCEDMN
C[C@H](CO)NN=C1CCCN2CCCC[C@@H]12	ZINC000848406560	588378835	/nfs/dbraw/zinc/37/88/35/588378835.db2.gz	GYXSJODRYYYUIH-PWSUYJOCSA-N	0	1	225.336	0.961	20	30		BCEDMN
N#Cc1nccc(NOC[C@H]2CCOC2)n1	ZINC000848688649	588405838	/nfs/dbraw/zinc/40/58/38/588405838.db2.gz	RJSDNIWBBPQVKQ-QMMMGPOBSA-N	0	1	220.232	0.728	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850761421	588565829	/nfs/dbraw/zinc/56/58/29/588565829.db2.gz	MGEPYLKPNUHURS-AXTSPUMRSA-N	0	1	236.271	0.112	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC2(CC2)C1	ZINC000850765112	588565958	/nfs/dbraw/zinc/56/59/58/588565958.db2.gz	XCCQNOOSTXVNLA-MRVPVSSYSA-N	0	1	206.245	0.631	20	30		BCEDMN
C[C@@H](CC#N)C(=O)OCCc1c[nH]nn1	ZINC000850859773	588571143	/nfs/dbraw/zinc/57/11/43/588571143.db2.gz	VFJZAXNUVSVEQL-ZETCQYMHSA-N	0	1	208.221	0.440	20	30		BCEDMN
C[C@@H](CC#N)C(=O)OCCc1cnn[nH]1	ZINC000850859773	588571145	/nfs/dbraw/zinc/57/11/45/588571145.db2.gz	VFJZAXNUVSVEQL-ZETCQYMHSA-N	0	1	208.221	0.440	20	30		BCEDMN
C#CCOCCN1CCCC[C@@H]1C1OCCO1	ZINC000851749351	588622546	/nfs/dbraw/zinc/62/25/46/588622546.db2.gz	DRGICBYDVVGNHI-GFCCVEGCSA-N	0	1	239.315	0.864	20	30		BCEDMN
C#CCOCCN1CCC[C@@H]1C(=O)NC1CC1	ZINC000851769121	588625417	/nfs/dbraw/zinc/62/54/17/588625417.db2.gz	FVUGZWAEHVNRNP-GFCCVEGCSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCOCCN1CCc2cn[nH]c2C1	ZINC000851862678	588636397	/nfs/dbraw/zinc/63/63/97/588636397.db2.gz	DFWXERWJYIVNQO-UHFFFAOYSA-N	0	1	205.261	0.418	20	30		BCEDMN
C#CCOCCN1CCCN(CC(F)F)CC1	ZINC000851884613	588640193	/nfs/dbraw/zinc/64/01/93/588640193.db2.gz	SJTIDXRWTNBEEO-UHFFFAOYSA-N	0	1	246.301	0.909	20	30		BCEDMN
C#CCOCCN(C)[C@H](C)C[S@](C)=O	ZINC000851922251	588643780	/nfs/dbraw/zinc/64/37/80/588643780.db2.gz	FMHUBDZEHKJCFL-YGRLFVJLSA-N	0	1	217.334	0.335	20	30		BCEDMN
C#CCOCCN(C)[C@@H](C)C[S@@](C)=O	ZINC000851922248	588643875	/nfs/dbraw/zinc/64/38/75/588643875.db2.gz	FMHUBDZEHKJCFL-IINYFYTJSA-N	0	1	217.334	0.335	20	30		BCEDMN
C#CCOCCN1CCCC[C@@]1(C)C(N)=O	ZINC000851933858	588645622	/nfs/dbraw/zinc/64/56/22/588645622.db2.gz	BNTBTFQPEDYKAX-LBPRGKRZSA-N	0	1	224.304	0.366	20	30		BCEDMN
C#CCOCCN1CCO[C@@]2(CCOC2)C1	ZINC000851943047	588646452	/nfs/dbraw/zinc/64/64/52/588646452.db2.gz	QEGGPNFGNNCTIN-LBPRGKRZSA-N	0	1	225.288	0.128	20	30		BCEDMN
C#CCOCCN1CC[C@@H](C)C[C@H]1C(N)=O	ZINC000851956504	588647992	/nfs/dbraw/zinc/64/79/92/588647992.db2.gz	GONNBTSHJRIUQC-MNOVXSKESA-N	0	1	224.304	0.222	20	30		BCEDMN
C#CCOCCN1CCO[C@@]2(CCO[C@@H]2C)C1	ZINC000851999137	588653760	/nfs/dbraw/zinc/65/37/60/588653760.db2.gz	YODOHBKYXPPWRZ-OLZOCXBDSA-N	0	1	239.315	0.516	20	30		BCEDMN
C#CCCCNC(=O)N(C)Cc1cnc[nH]1	ZINC000852154648	588668003	/nfs/dbraw/zinc/66/80/03/588668003.db2.gz	UDPKBMVBLRVLJR-UHFFFAOYSA-N	0	1	220.276	0.965	20	30		BCEDMN
C#CCNC(=O)CN(C1CC1)C1(CO)CCC1	ZINC000852158316	588668059	/nfs/dbraw/zinc/66/80/59/588668059.db2.gz	DQZCDCDISHMZMZ-UHFFFAOYSA-N	0	1	236.315	0.115	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N(C)CC1CN(C)C1	ZINC000852261864	588674986	/nfs/dbraw/zinc/67/49/86/588674986.db2.gz	FHVWLDUEXNAMAP-SECBINFHSA-N	0	1	209.293	0.211	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](C)C(=O)[C@H](C)C1	ZINC000852477709	588683371	/nfs/dbraw/zinc/68/33/71/588683371.db2.gz	WLAFWCCSMOZWIA-GHMZBOCLSA-N	0	1	236.315	0.283	20	30		BCEDMN
COCC#CCN(C)CCN(C)C(=O)OC	ZINC000852570058	588691360	/nfs/dbraw/zinc/69/13/60/588691360.db2.gz	UBFOMABOGGYHMC-UHFFFAOYSA-N	0	1	228.292	0.266	20	30		BCEDMN
C#CCCN(CC#CCOC)CCOC	ZINC000852751376	588699639	/nfs/dbraw/zinc/69/96/39/588699639.db2.gz	ZNYPJOGOUMCRIF-UHFFFAOYSA-N	0	1	209.289	0.608	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)s1	ZINC000852827054	588706120	/nfs/dbraw/zinc/70/61/20/588706120.db2.gz	AOKGZXSFKFQWDG-BQBZGAKWSA-N	0	1	239.275	0.729	20	30		BCEDMN
CCC/C=C/C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852876158	588709417	/nfs/dbraw/zinc/70/94/17/588709417.db2.gz	WNJNAWMGQVYGTK-NUNSBDKSSA-N	0	1	207.277	0.570	20	30		BCEDMN
CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852875793	588710054	/nfs/dbraw/zinc/71/00/54/588710054.db2.gz	PQYUUOLEVUNJQQ-YVNDNENWSA-N	0	1	249.314	0.029	20	30		BCEDMN
CSC(C)(C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852875157	588710062	/nfs/dbraw/zinc/71/00/62/588710062.db2.gz	FWJHGPYDKSXASN-HTQZYQBOSA-N	0	1	227.333	0.356	20	30		BCEDMN
C#CCCCCNC(=O)NC[C@@H]1COCCN1	ZINC000861609741	589170329	/nfs/dbraw/zinc/17/03/29/589170329.db2.gz	PBXWMIZVCJQSHE-LLVKDONJSA-N	0	1	239.319	0.078	20	30		BCEDMN
C=CCN(C(=O)NC[C@H]1COCCN1)C(C)C	ZINC000861682522	589174337	/nfs/dbraw/zinc/17/43/37/589174337.db2.gz	RNALFRAKMJSFGM-NSHDSACASA-N	0	1	241.335	0.581	20	30		BCEDMN
CC(C)C#CC(=O)N1CCc2nc[nH]c2C1	ZINC000861763286	589177407	/nfs/dbraw/zinc/17/74/07/589177407.db2.gz	NUYULEPHYSCPRW-UHFFFAOYSA-N	0	1	217.272	0.954	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)Cc1cc(C)n[nH]1	ZINC000863785822	589318135	/nfs/dbraw/zinc/31/81/35/589318135.db2.gz	NXOBEKWMPOZPOB-NSHDSACASA-N	0	1	249.314	0.805	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)Cc1cc(C)n[nH]1	ZINC000863801167	589319442	/nfs/dbraw/zinc/31/94/42/589319442.db2.gz	WGTGOFCFNVVZGZ-JTQLQIEISA-N	0	1	235.287	0.415	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000863807007	589320568	/nfs/dbraw/zinc/32/05/68/589320568.db2.gz	WKLFYWSGCAGNBX-WDEREUQCSA-N	0	1	249.314	0.743	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC000863902734	589324530	/nfs/dbraw/zinc/32/45/30/589324530.db2.gz	KNJTVCXVIWINHY-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CN(C)C1CCC1	ZINC000863902734	589324531	/nfs/dbraw/zinc/32/45/31/589324531.db2.gz	KNJTVCXVIWINHY-LLVKDONJSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)CN(C)C1CCC1	ZINC000863913858	589325926	/nfs/dbraw/zinc/32/59/26/589325926.db2.gz	VGKYCWRMWFRJDF-GFCCVEGCSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864413609	589360128	/nfs/dbraw/zinc/36/01/28/589360128.db2.gz	QVZGFOKLWMIHQW-JTQLQIEISA-N	0	1	221.260	0.644	20	30		BCEDMN
CN(C)c1ccc(C#N)cc1CNC(CO)CO	ZINC000865477074	589439823	/nfs/dbraw/zinc/43/98/23/589439823.db2.gz	XXISRADCSSFOHT-UHFFFAOYSA-N	0	1	249.314	0.067	20	30		BCEDMN
OCC#CCNc1ccncc1C(F)(F)F	ZINC000865760814	589461320	/nfs/dbraw/zinc/46/13/20/589461320.db2.gz	PBFQNTJPFNRLBZ-UHFFFAOYSA-N	0	1	230.189	0.930	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)CCc1nn[nH]n1	ZINC000867760500	589533478	/nfs/dbraw/zinc/53/34/78/589533478.db2.gz	DEBCXEUJZDKJDI-QMMMGPOBSA-N	0	1	221.264	0.050	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@@H](C)N1	ZINC000867967057	589541770	/nfs/dbraw/zinc/54/17/70/589541770.db2.gz	YRFHCDYERWAHCN-RKDXNWHRSA-N	0	1	233.271	0.974	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCCCO1	ZINC000121987800	589546221	/nfs/dbraw/zinc/54/62/21/589546221.db2.gz	IISBSJJOQBICOL-VHSXEESVSA-N	0	1	236.271	0.543	20	30		BCEDMN
CN(C)C1(C(=O)Nc2n[nH]cc2C#N)CCC1	ZINC000868911327	589582112	/nfs/dbraw/zinc/58/21/12/589582112.db2.gz	OJSQSLWKGQRVAM-UHFFFAOYSA-N	0	1	233.275	0.704	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869074720	589585706	/nfs/dbraw/zinc/58/57/06/589585706.db2.gz	ZAVKMYKVZBIUEE-SNVBAGLBSA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CC1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1	ZINC000869084113	589586257	/nfs/dbraw/zinc/58/62/57/589586257.db2.gz	XBAVXGDAAQPQOO-LLVKDONJSA-N	0	1	233.271	0.315	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869187072	589591926	/nfs/dbraw/zinc/59/19/26/589591926.db2.gz	NAWHZLQWJVBCLN-SECBINFHSA-N	0	1	233.275	0.004	20	30		BCEDMN
C#CCONC(=O)[C@H](C)c1ccncc1	ZINC000869253735	589594009	/nfs/dbraw/zinc/59/40/09/589594009.db2.gz	RGHKAEHSDQZVRF-SECBINFHSA-N	0	1	204.229	0.866	20	30		BCEDMN
C#CCONC(=O)[C@@H](C)c1ccncc1	ZINC000869253736	589594105	/nfs/dbraw/zinc/59/41/05/589594105.db2.gz	RGHKAEHSDQZVRF-VIFPVBQESA-N	0	1	204.229	0.866	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869395360	589603265	/nfs/dbraw/zinc/60/32/65/589603265.db2.gz	WJLKDYGQRSPJIT-MWLCHTKSSA-N	0	1	235.287	0.868	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869395174	589603294	/nfs/dbraw/zinc/60/32/94/589603294.db2.gz	ZZZUFICRSCBDEY-VIFPVBQESA-N	0	1	233.275	0.004	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccnn1C	ZINC000871926814	589833315	/nfs/dbraw/zinc/83/33/15/589833315.db2.gz	KZXDZQOQUZOLKQ-VHSXEESVSA-N	0	1	236.319	0.761	20	30		BCEDMN
C#CCn1[nH]c(CC(=O)OCC)cc1=O	ZINC000871961515	589846252	/nfs/dbraw/zinc/84/62/52/589846252.db2.gz	LNQYMDYLBHAYLY-UHFFFAOYSA-N	0	1	208.217	0.161	20	30		BCEDMN
COC(=O)[C@]12C[C@H]1C[C@H](NCCC#N)C2	ZINC000872229958	589897902	/nfs/dbraw/zinc/89/79/02/589897902.db2.gz	UJHFUSVFBAMKLA-YWVKMMECSA-N	0	1	208.261	0.831	20	30		BCEDMN
COc1nscc1C=NNC1=NC[C@@H](C)N1	ZINC000872364785	589920774	/nfs/dbraw/zinc/92/07/74/589920774.db2.gz	UEGOPKRZYLSOEZ-ZCFIWIBFSA-N	0	1	239.304	0.423	20	30		BCEDMN
CCCn1cc(CN=Nc2cnn(C)c2)nn1	ZINC000872369689	589922916	/nfs/dbraw/zinc/92/29/16/589922916.db2.gz	NKXNGYZAGKXUDF-UHFFFAOYSA-N	0	1	233.279	0.868	20	30		BCEDMN
C[C@@H]1C(N=Nc2nccn2C)CCN1C	ZINC000872370059	589923068	/nfs/dbraw/zinc/92/30/68/589923068.db2.gz	SCGHYAJMBIAGSJ-MRVPVSSYSA-N	0	1	207.281	0.912	20	30		BCEDMN
C[C@@H]1C(N=Nc2cncnc2)CCN1C	ZINC000872373090	589924360	/nfs/dbraw/zinc/92/43/60/589924360.db2.gz	ZBGMJLNXKAEILB-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
CC[C@H](O)CNN=Cc1c(C)ccnc1N	ZINC000872375316	589925124	/nfs/dbraw/zinc/92/51/24/589925124.db2.gz	YZESQWHQVASLPO-VIFPVBQESA-N	0	1	222.292	0.667	20	30		BCEDMN
CC[C@H](NN=C1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	ZINC000872376491	589925587	/nfs/dbraw/zinc/92/55/87/589925587.db2.gz	LNRFHADWXCRUJA-SFYZADRCSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@H](NN=C1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	ZINC000872376491	589925584	/nfs/dbraw/zinc/92/55/84/589925584.db2.gz	LNRFHADWXCRUJA-SFYZADRCSA-N	0	1	213.281	0.519	20	30		BCEDMN
C#CCN=NC1CCCN2CCSC[C@@H]12	ZINC000872379882	589927149	/nfs/dbraw/zinc/92/71/49/589927149.db2.gz	PCYDVBRSRYTVNN-NSHDSACASA-N	0	1	223.345	0.776	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)CCCCSC	ZINC000124116043	589943203	/nfs/dbraw/zinc/94/32/03/589943203.db2.gz	NSUSCCXHCBQHSY-QMMMGPOBSA-N	0	1	228.317	0.975	20	30		BCEDMN
CN(CC(=O)NCCC#N)CC1(O)CCCC1	ZINC000124314817	589974970	/nfs/dbraw/zinc/97/49/70/589974970.db2.gz	GIPAYPDRMUYSDT-UHFFFAOYSA-N	0	1	239.319	0.253	20	30		BCEDMN
COC[C@@H](O)CNCc1cccc(F)c1C#N	ZINC000873121219	589984917	/nfs/dbraw/zinc/98/49/17/589984917.db2.gz	FSEJEJDUCRAVIO-JTQLQIEISA-N	0	1	238.262	0.794	20	30		BCEDMN
CCCN(C(=O)C(C)C#N)[C@H](C)C(=O)OC	ZINC000888618079	589997332	/nfs/dbraw/zinc/99/73/32/589997332.db2.gz	RMYWURDRNZKYBN-RKDXNWHRSA-N	0	1	226.276	0.946	20	30		BCEDMN
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1	ZINC000874447376	590111406	/nfs/dbraw/zinc/11/14/06/590111406.db2.gz	BSNDVFJFZJSYFR-BBBLOLIVSA-N	0	1	230.271	0.932	20	30		BCEDMN
C[C@@H]1CN(C(=O)C#CC(C)(C)C)CCN1	ZINC000876529713	590209570	/nfs/dbraw/zinc/20/95/70/590209570.db2.gz	KXHDPKYYCNUCJI-SNVBAGLBSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCN(CC#C)C[C@H](OC)C1CCOCC1	ZINC000876744906	590235922	/nfs/dbraw/zinc/23/59/22/590235922.db2.gz	GVKCUCSRIBSHDZ-AWEZNQCLSA-N	0	1	235.327	0.996	20	30		BCEDMN
CNc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876801918	590243164	/nfs/dbraw/zinc/24/31/64/590243164.db2.gz	KJSLBJONDHTXES-CABZTGNLSA-N	0	1	244.298	0.570	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cnn(C2CC2)c1	ZINC000876801351	590243197	/nfs/dbraw/zinc/24/31/97/590243197.db2.gz	BLOGLAGXUJKVDS-LDYMZIIASA-N	0	1	245.286	0.059	20	30		BCEDMN
CCOC1CC(C(=O)N[C@H]2CNC[C@@H]2C#N)C1	ZINC000876801556	590243200	/nfs/dbraw/zinc/24/32/00/590243200.db2.gz	FIWLVHFUEWOQBZ-YIYTYNFBSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCO[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C1CC1	ZINC000876801818	590243264	/nfs/dbraw/zinc/24/32/64/590243264.db2.gz	JHUVUOAZBSUYIX-MXWKQRLJSA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CCCC12CC2	ZINC000876801326	590243419	/nfs/dbraw/zinc/24/34/19/590243419.db2.gz	BBCMHTZPNFDPJF-OUAUKWLOSA-N	0	1	233.315	0.794	20	30		BCEDMN
Cc1cocc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876801262	590243454	/nfs/dbraw/zinc/24/34/54/590243454.db2.gz	AELPVKAKRINYJP-SCZZXKLOSA-N	0	1	219.244	0.429	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)[C@@H](C)O1	ZINC000876802252	590243508	/nfs/dbraw/zinc/24/35/08/590243508.db2.gz	NMZUPDJAXOMVGW-MVCUBJFGSA-N	0	1	237.303	0.028	20	30		BCEDMN
CCn1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)n1	ZINC000876802303	590243521	/nfs/dbraw/zinc/24/35/21/590243521.db2.gz	NTCZJPFNRBVSQC-ONGXEEELSA-N	0	1	247.302	0.053	20	30		BCEDMN
CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876803024	590243831	/nfs/dbraw/zinc/24/38/31/590243831.db2.gz	UFKWDCCQLBCEPS-GWOFURMSSA-N	0	1	235.331	0.896	20	30		BCEDMN
C[C@H](CC(=O)N[C@@H]1CNC[C@H]1C#N)C(F)(F)F	ZINC000876803602	590243916	/nfs/dbraw/zinc/24/39/16/590243916.db2.gz	XLIYXDNWEZVVCA-BWZBUEFSSA-N	0	1	249.236	0.803	20	30		BCEDMN
CC(C)(C)C#CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876802573	590243995	/nfs/dbraw/zinc/24/39/95/590243995.db2.gz	QRECYUKYPIONJN-UWVGGRQHSA-N	0	1	219.288	0.264	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1N	ZINC000876803953	590244354	/nfs/dbraw/zinc/24/43/54/590244354.db2.gz	ZWCDXFWTDCZTDZ-CPCISQLKSA-N	0	1	248.261	0.249	20	30		BCEDMN
C#CCNC(=O)[C@@H](N)c1cccc(OC)c1	ZINC000876944073	590259450	/nfs/dbraw/zinc/25/94/50/590259450.db2.gz	XPFHUGUULAAZJW-NSHDSACASA-N	0	1	218.256	0.444	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1ncnn1CC	ZINC000877661039	590386642	/nfs/dbraw/zinc/38/66/42/590386642.db2.gz	VVBDHASKGGEANH-NSHDSACASA-N	0	1	236.319	0.816	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)C[C@H](C)C(=O)NC	ZINC000878161779	590510544	/nfs/dbraw/zinc/51/05/44/590510544.db2.gz	CBUPPBAOEGWLSG-VHSXEESVSA-N	0	1	242.319	0.418	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@@H](CC)[C@H](O)C1	ZINC000878322977	590546504	/nfs/dbraw/zinc/54/65/04/590546504.db2.gz	RLHUAKMNVDIDTC-GMTAPVOTSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@@H](O)[C@@H](CC)C1	ZINC000878322978	590546636	/nfs/dbraw/zinc/54/66/36/590546636.db2.gz	RLHUAKMNVDIDTC-HBNTYKKESA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CCC[C@](C)(O)C1	ZINC000878328259	590547292	/nfs/dbraw/zinc/54/72/92/590547292.db2.gz	FZXCTFFXQHDNSX-PWSUYJOCSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H]([C@@H](C)O)C1	ZINC000878391003	590558643	/nfs/dbraw/zinc/55/86/43/590558643.db2.gz	GLZXRRHVSKAKMA-OUAUKWLOSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@@H](C)N1CCn2c(n[nH]c2=O)C1	ZINC000878432377	590566269	/nfs/dbraw/zinc/56/62/69/590566269.db2.gz	COECFMQFWJDVHY-MRVPVSSYSA-N	0	1	208.265	0.764	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H](O)[C@H](C)C1	ZINC000878464404	590571750	/nfs/dbraw/zinc/57/17/50/590571750.db2.gz	XCCPLIVEMFKUDP-GMTAPVOTSA-N	0	1	227.304	0.807	20	30		BCEDMN
C#CCCCCCN(C)[C@@H](COC)C(N)=O	ZINC000878649720	590601880	/nfs/dbraw/zinc/60/18/80/590601880.db2.gz	HZUVUOOYMQTFDC-NSHDSACASA-N	0	1	226.320	0.612	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)Cc1n[nH]c(=O)o1	ZINC000878726796	590617778	/nfs/dbraw/zinc/61/77/78/590617778.db2.gz	VBIHRLBKCNLQPT-ZETCQYMHSA-N	0	1	241.247	0.325	20	30		BCEDMN
C#CCCN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C	ZINC000878752090	590618657	/nfs/dbraw/zinc/61/86/57/590618657.db2.gz	GNUMDOAYJQQLOF-GMTAPVOTSA-N	0	1	208.305	0.949	20	30		BCEDMN
Cn1nnnc1CCN1CCC[C@@H](CC#N)C1	ZINC000878886760	590639708	/nfs/dbraw/zinc/63/97/08/590639708.db2.gz	ONRVVHFNFWTXDH-JTQLQIEISA-N	0	1	234.307	0.378	20	30		BCEDMN
C#CCN(C[C@H](O)CSC)C1CSC1	ZINC000878910356	590641442	/nfs/dbraw/zinc/64/14/42/590641442.db2.gz	SDINOLNKMODNKZ-JTQLQIEISA-N	0	1	231.386	0.761	20	30		BCEDMN
C#CCN(CCC(=O)NC)C1CSC1	ZINC000878913328	590649002	/nfs/dbraw/zinc/64/90/02/590649002.db2.gz	KJKRWPVHVFHERY-UHFFFAOYSA-N	0	1	212.318	0.173	20	30		BCEDMN
CN(Cc1ccc(C#N)o1)[C@H]1C[C@@H](C(N)=O)C1	ZINC000879055542	590688144	/nfs/dbraw/zinc/68/81/44/590688144.db2.gz	IQGGIQMGVZQDBE-DTORHVGOSA-N	0	1	233.271	0.847	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](OC)CC[C@@H]1C	ZINC000879317803	590737467	/nfs/dbraw/zinc/73/74/67/590737467.db2.gz	HVWJEINJNWFRJS-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1C[N@H+]2CCC#C	ZINC000879353736	590752022	/nfs/dbraw/zinc/75/20/22/590752022.db2.gz	VGGLXDSZQCFNSN-STQMWFEESA-N	0	1	202.301	0.792	20	30		BCEDMN
C=C(C)CN1CC[C@]2(CC(C(=O)OC)=NO2)C1	ZINC000879480667	590779151	/nfs/dbraw/zinc/77/91/51/590779151.db2.gz	PEAMAEQLAHPCSD-LBPRGKRZSA-N	0	1	238.287	0.956	20	30		BCEDMN
C=C(C)CN1CC[C@@]2(CC(C(=O)OC)=NO2)C1	ZINC000879480666	590779471	/nfs/dbraw/zinc/77/94/71/590779471.db2.gz	PEAMAEQLAHPCSD-GFCCVEGCSA-N	0	1	238.287	0.956	20	30		BCEDMN
C#CCCCN1CCC[C@@H]2OCCNC(=O)[C@@H]21	ZINC000879720812	590854724	/nfs/dbraw/zinc/85/47/24/590854724.db2.gz	HQLVUVNRSDXAHK-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCCCN1CCC[C@@H]2OCCNC(=O)[C@H]21	ZINC000879720813	590855708	/nfs/dbraw/zinc/85/57/08/590855708.db2.gz	HQLVUVNRSDXAHK-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
C[C@@]1(NC(=O)C(F)(F)F)CCN(CC#N)C1	ZINC000879762525	590865434	/nfs/dbraw/zinc/86/54/34/590865434.db2.gz	IJICARYNQPBWFR-MRVPVSSYSA-N	0	1	235.209	0.653	20	30		BCEDMN
C#CCNC(=O)CN(C)C1(COC)CCC1	ZINC000880188050	590955450	/nfs/dbraw/zinc/95/54/50/590955450.db2.gz	WZAMKCAWOYFQCI-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@@H](CF)C1	ZINC000880231995	590963569	/nfs/dbraw/zinc/96/35/69/590963569.db2.gz	CUNOMZSFRHBAPN-VIFPVBQESA-N	0	1	213.256	0.308	20	30		BCEDMN
N#CC1(NC(=O)CN2CC[C@H](CF)C2)CCC1	ZINC000880299637	590994951	/nfs/dbraw/zinc/99/49/51/590994951.db2.gz	VXJDBUOCMIQMLL-SNVBAGLBSA-N	0	1	239.294	0.840	20	30		BCEDMN
N#Cc1ccc([C@H](O)CN2CC=C[C@@H]2CO)cc1	ZINC000880486389	591059859	/nfs/dbraw/zinc/05/98/59/591059859.db2.gz	BGKWULCGCHLOKO-ZIAGYGMSSA-N	0	1	244.294	0.824	20	30		BCEDMN
CC(C)OC[C@H](O)CON=C(N)C(C)C	ZINC000128469015	591079511	/nfs/dbraw/zinc/07/95/11/591079511.db2.gz	QXBYZZBXRBIGSO-VIFPVBQESA-N	0	1	218.297	0.717	20	30		BCEDMN
COCC#CCN1CCC2(CC1)COCCO2	ZINC000880546473	591087411	/nfs/dbraw/zinc/08/74/11/591087411.db2.gz	VCUOLNMEKGCNJI-UHFFFAOYSA-N	0	1	239.315	0.518	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C	ZINC000880756996	591138542	/nfs/dbraw/zinc/13/85/42/591138542.db2.gz	FEDAAFZNFHAXRN-KBVBSXBZSA-N	0	1	249.314	0.739	20	30		BCEDMN
C=C[C@@](C)(O)c1cn(Cc2nnc(CC)[nH]2)nn1	ZINC000881365901	591195933	/nfs/dbraw/zinc/19/59/33/591195933.db2.gz	NDAWPRLODZAVMT-LLVKDONJSA-N	0	1	248.290	0.400	20	30		BCEDMN
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)C(C)C#N	ZINC000881729829	591267842	/nfs/dbraw/zinc/26/78/42/591267842.db2.gz	MHDBHAOCIQMDNJ-BQBZGAKWSA-N	0	1	246.213	0.555	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000882488827	591367640	/nfs/dbraw/zinc/36/76/40/591367640.db2.gz	JQIUWDWJLAWFJA-JTQLQIEISA-N	0	1	232.287	0.710	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NC[C@H]1CCN1CC	ZINC000882492678	591372178	/nfs/dbraw/zinc/37/21/78/591372178.db2.gz	BSYSXXJDCVCXSG-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1coc(C#N)c1	ZINC000882497897	591378995	/nfs/dbraw/zinc/37/89/95/591378995.db2.gz	NLSKMDYVSSKTTH-JTQLQIEISA-N	0	1	233.271	0.975	20	30		BCEDMN
C#CC1(NC(=O)[C@H](C)N(C)C)CCCC1	ZINC000882530322	591383393	/nfs/dbraw/zinc/38/33/93/591383393.db2.gz	MLQSVNWZBIBNKQ-JTQLQIEISA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1	ZINC000882532348	591384318	/nfs/dbraw/zinc/38/43/18/591384318.db2.gz	KZIKIXCNQVITRM-RKDXNWHRSA-N	0	1	222.244	0.714	20	30		BCEDMN
C#CC1(NC(=O)c2ncn[nH]2)CCCC1	ZINC000882534404	591386673	/nfs/dbraw/zinc/38/66/73/591386673.db2.gz	LWUSYPVJNKTVEH-UHFFFAOYSA-N	0	1	204.233	0.481	20	30		BCEDMN
C#CC1(NC(=O)c2nc[nH]n2)CCCC1	ZINC000882534404	591386678	/nfs/dbraw/zinc/38/66/78/591386678.db2.gz	LWUSYPVJNKTVEH-UHFFFAOYSA-N	0	1	204.233	0.481	20	30		BCEDMN
C#CC[C@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000882767573	591434430	/nfs/dbraw/zinc/43/44/30/591434430.db2.gz	SJJZCCNQTLWWJX-VIFPVBQESA-N	0	1	239.300	0.444	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc(C)nc1	ZINC000883123719	591543438	/nfs/dbraw/zinc/54/34/38/591543438.db2.gz	IOIKZNPQNLWLFU-NSHDSACASA-N	0	1	205.261	0.259	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(C)nn1	ZINC000883125291	591544116	/nfs/dbraw/zinc/54/41/16/591544116.db2.gz	DTZVRDOSXFOPQS-LLVKDONJSA-N	0	1	205.261	0.259	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cc2c(cn1)OCCO2	ZINC000883125403	591544539	/nfs/dbraw/zinc/54/45/39/591544539.db2.gz	IGSROHXNNTWSHX-JTQLQIEISA-N	0	1	248.282	0.327	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccncc1F	ZINC000883125660	591544622	/nfs/dbraw/zinc/54/46/22/591544622.db2.gz	PZQIZFQWWXRFHL-SNVBAGLBSA-N	0	1	208.236	0.695	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc(Cl)n1C	ZINC000883125566	591544901	/nfs/dbraw/zinc/54/49/01/591544901.db2.gz	MUPLIVXHEJPMQF-MRVPVSSYSA-N	0	1	227.695	0.547	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1ccn(C)n1	ZINC000883401723	591649139	/nfs/dbraw/zinc/64/91/39/591649139.db2.gz	WETFXKPWEIGSTF-NSHDSACASA-N	0	1	209.293	0.837	20	30		BCEDMN
C#CCCNC(=O)NC[C@H]1CCN1CC	ZINC000883487439	591680432	/nfs/dbraw/zinc/68/04/32/591680432.db2.gz	NAHXBFHTJGNMTH-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
C=C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1CC	ZINC000883508068	591684962	/nfs/dbraw/zinc/68/49/62/591684962.db2.gz	OSGRBAOOTDFEPG-VHSXEESVSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@H](C)NC(=O)NC[C@H]1CCN1CC	ZINC000883508068	591684966	/nfs/dbraw/zinc/68/49/66/591684966.db2.gz	OSGRBAOOTDFEPG-VHSXEESVSA-N	0	1	211.309	0.954	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)NCCCC#N	ZINC000883564371	591693615	/nfs/dbraw/zinc/69/36/15/591693615.db2.gz	OXOUEIHFSOJTMI-JTQLQIEISA-N	0	1	224.308	0.684	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NC[C@@H]1CCN1CC	ZINC000883763856	591736655	/nfs/dbraw/zinc/73/66/55/591736655.db2.gz	KOOLSKDUURRWJX-ZJUUUORDSA-N	0	1	227.308	0.886	20	30		BCEDMN
C=CC(C)(C)CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000884250297	591884138	/nfs/dbraw/zinc/88/41/38/591884138.db2.gz	BLFXMCVYPZINJL-NXEZZACHSA-N	0	1	221.304	0.816	20	30		BCEDMN
Cc1[nH]nc(C=NNc2nccn(C)c2=O)c1C	ZINC000884434001	591933225	/nfs/dbraw/zinc/93/32/25/591933225.db2.gz	XZHMTJOCWSUJFB-UHFFFAOYSA-N	0	1	246.274	0.566	20	30		BCEDMN
Cc1[nH]nc(CN=Nc2nccn(C)c2=O)c1C	ZINC000884434001	591933222	/nfs/dbraw/zinc/93/32/22/591933222.db2.gz	XZHMTJOCWSUJFB-UHFFFAOYSA-N	0	1	246.274	0.566	20	30		BCEDMN
Cc1[nH]nc(C=NN=c2[nH]ccn(C)c2=O)c1C	ZINC000884434001	591933228	/nfs/dbraw/zinc/93/32/28/591933228.db2.gz	XZHMTJOCWSUJFB-UHFFFAOYSA-N	0	1	246.274	0.566	20	30		BCEDMN
C#CC[C@H]1CCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000884594002	591990950	/nfs/dbraw/zinc/99/09/50/591990950.db2.gz	XTIMBRBQLIFTMP-QMMMGPOBSA-N	0	1	243.270	0.908	20	30		BCEDMN
C#CCNCC(=O)NCCCOCCCC	ZINC000135834299	592060062	/nfs/dbraw/zinc/06/00/62/592060062.db2.gz	UGFZUKFEBDJPDC-UHFFFAOYSA-N	0	1	226.320	0.532	20	30		BCEDMN
COC(=O)[C@]12C[C@H]1CCCN2C(=O)C(C)C#N	ZINC000886343751	592212540	/nfs/dbraw/zinc/21/25/40/592212540.db2.gz	HOUNOGROBYQWPD-LNLATYFQSA-N	0	1	236.271	0.700	20	30		BCEDMN
C#CC[C@H]1CCN([C@@H]2CON(CC)C2=O)C1	ZINC000886364387	592216734	/nfs/dbraw/zinc/21/67/34/592216734.db2.gz	YFVXUXFKUGLHKT-WDEREUQCSA-N	0	1	222.288	0.494	20	30		BCEDMN
C#CC[C@H]1CCN(Cc2nccc(N)n2)C1	ZINC000886362563	592217611	/nfs/dbraw/zinc/21/76/11/592217611.db2.gz	CLYJOIRTXQHORX-JTQLQIEISA-N	0	1	216.288	0.904	20	30		BCEDMN
C#CCC1(NC(=O)c2ncn[nH]2)CCC1	ZINC000886792783	592325983	/nfs/dbraw/zinc/32/59/83/592325983.db2.gz	MZBDSLAFESGHCX-UHFFFAOYSA-N	0	1	204.233	0.481	20	30		BCEDMN
C#CCC1(NC(=O)c2nc[nH]n2)CCC1	ZINC000886792783	592325988	/nfs/dbraw/zinc/32/59/88/592325988.db2.gz	MZBDSLAFESGHCX-UHFFFAOYSA-N	0	1	204.233	0.481	20	30		BCEDMN
C#CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC000886800107	592330952	/nfs/dbraw/zinc/33/09/52/592330952.db2.gz	GBMPBWVWSMAPMU-RKDXNWHRSA-N	0	1	222.244	0.714	20	30		BCEDMN
C#CCC1(NC(=O)CCc2c[nH]nn2)CCC1	ZINC000886800012	592330979	/nfs/dbraw/zinc/33/09/79/592330979.db2.gz	BMBMYXRDHXUVIZ-UHFFFAOYSA-N	0	1	232.287	0.800	20	30		BCEDMN
C#CCC1(NC(=O)CCc2cnn[nH]2)CCC1	ZINC000886800012	592330982	/nfs/dbraw/zinc/33/09/82/592330982.db2.gz	BMBMYXRDHXUVIZ-UHFFFAOYSA-N	0	1	232.287	0.800	20	30		BCEDMN
C#CCC1(NC(=O)Cc2nnc[nH]2)CCC1	ZINC000886800415	592331183	/nfs/dbraw/zinc/33/11/83/592331183.db2.gz	RLFOLWGQAUHTAS-UHFFFAOYSA-N	0	1	218.260	0.409	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@@H]([C@H]2CCCO2)C1	ZINC000886832154	592353862	/nfs/dbraw/zinc/35/38/62/592353862.db2.gz	BSYGRYISZBAQBM-GHMZBOCLSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=CCOCCN1CC[C@H](NC(=O)OC)C1	ZINC000886852758	592367865	/nfs/dbraw/zinc/36/78/65/592367865.db2.gz	VVNZCGQFCXHOSC-JTQLQIEISA-N	0	1	228.292	0.619	20	30		BCEDMN
C#CCN1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2	ZINC000887050066	592431479	/nfs/dbraw/zinc/43/14/79/592431479.db2.gz	YLICACMPFSYITH-IMRBUKKESA-N	0	1	245.326	0.868	20	30		BCEDMN
C#CCCCCC(=O)NCc1nn[nH]n1	ZINC000222915493	592508087	/nfs/dbraw/zinc/50/80/87/592508087.db2.gz	QYQUVZDHGPWONB-UHFFFAOYSA-N	0	1	207.237	0.010	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(C)[C@H](C)C1	ZINC000300934784	592525156	/nfs/dbraw/zinc/52/51/56/592525156.db2.gz	CFBTUXDHMNFXAA-ZJUUUORDSA-N	0	1	212.293	0.350	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](OC)C[C@H]1C	ZINC000300934320	592525168	/nfs/dbraw/zinc/52/51/68/592525168.db2.gz	RJOKVUREYIBADG-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C=C(C)CCNC(=O)NCc1n[nH]c(=O)n1C	ZINC000889158680	592586520	/nfs/dbraw/zinc/58/65/20/592586520.db2.gz	QVBYKWFCKCHPLG-UHFFFAOYSA-N	0	1	239.279	0.286	20	30		BCEDMN
Cc1nc(CNC(=O)C#CC(C)(C)C)n[nH]1	ZINC000889700001	592641692	/nfs/dbraw/zinc/64/16/92/592641692.db2.gz	QTTWWZXCLWNFFT-UHFFFAOYSA-N	0	1	220.276	0.779	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](C)O[C@@H](C)C1	ZINC000829121805	592707103	/nfs/dbraw/zinc/70/71/03/592707103.db2.gz	GNYUKZBBEDYLHP-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000819090988	597525485	/nfs/dbraw/zinc/52/54/85/597525485.db2.gz	NGEWSXSDSNMCSE-NXEZZACHSA-N	0	1	221.260	0.836	20	30		BCEDMN
C[NH+]1CCN(N=Cc2cccc(C(=O)[O-])c2)CC1	ZINC000814684959	598201101	/nfs/dbraw/zinc/20/11/01/598201101.db2.gz	FTZMBJZCUVRQFI-UHFFFAOYSA-N	0	1	247.298	0.966	20	30		BCEDMN
C=CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000070593201	600397390	/nfs/dbraw/zinc/39/73/90/600397390.db2.gz	SFYWEKDJBOCOIR-VIFPVBQESA-N	0	1	226.276	0.228	20	30		BCEDMN
COCC[N@@H+](CCC#N)CCCC(=O)[O-]	ZINC000070844708	601017177	/nfs/dbraw/zinc/01/71/77/601017177.db2.gz	MUHKOCAEBKUMQC-UHFFFAOYSA-N	0	1	214.265	0.713	20	30		BCEDMN
COCC[N@H+](CCC#N)CCCC(=O)[O-]	ZINC000070844708	601017179	/nfs/dbraw/zinc/01/71/79/601017179.db2.gz	MUHKOCAEBKUMQC-UHFFFAOYSA-N	0	1	214.265	0.713	20	30		BCEDMN
C[C@H]1CN(C(=O)[O-])CC[N@@H+]1CCCC#N	ZINC000739159752	602738891	/nfs/dbraw/zinc/73/88/91/602738891.db2.gz	HJFWIAUQXAJDFO-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
C[C@H]1CN(C(=O)[O-])CC[N@H+]1CCCC#N	ZINC000739159752	602738893	/nfs/dbraw/zinc/73/88/93/602738893.db2.gz	HJFWIAUQXAJDFO-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H](CNC(=O)[O-])C1	ZINC000738503557	603327886	/nfs/dbraw/zinc/32/78/86/603327886.db2.gz	RYEBFDDMOWEYPW-JTQLQIEISA-N	0	1	210.277	0.989	20	30		BCEDMN
CC#CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000738502462	603347533	/nfs/dbraw/zinc/34/75/33/603347533.db2.gz	DQPRXHMNYOXFLT-NXEZZACHSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000738496314	604370888	/nfs/dbraw/zinc/37/08/88/604370888.db2.gz	WAIFJGJJRDLHFD-RKDXNWHRSA-N	0	1	241.291	0.019	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000738496314	604370892	/nfs/dbraw/zinc/37/08/92/604370892.db2.gz	WAIFJGJJRDLHFD-RKDXNWHRSA-N	0	1	241.291	0.019	20	30		BCEDMN
C#CCC[N@@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC000085611682	604919408	/nfs/dbraw/zinc/91/94/08/604919408.db2.gz	GJHMRHSOHQAYEC-VIFPVBQESA-N	0	1	213.302	0.902	20	30		BCEDMN
C=C(CC)C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000085060189	605013522	/nfs/dbraw/zinc/01/35/22/605013522.db2.gz	MEXOSIGEBFZOEH-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000085060189	605013521	/nfs/dbraw/zinc/01/35/21/605013521.db2.gz	MEXOSIGEBFZOEH-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
COc1ccc2c(c1)C(=NNC1=NCCN1)CC2	ZINC000841658494	634493502	/nfs/dbraw/zinc/49/35/02/634493502.db2.gz	DEBQTRSUEGTUOJ-UHFFFAOYSA-N	0	1	244.298	0.894	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)CC(C)C	ZINC000124952915	635160194	/nfs/dbraw/zinc/16/01/94/635160194.db2.gz	SAMVASCYWHZLNZ-SNVBAGLBSA-N	0	1	240.303	0.894	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)Cn2ccnc2)C1	ZINC001009710690	634527928	/nfs/dbraw/zinc/52/79/28/634527928.db2.gz	SIMNAKYGTSLSPC-GFCCVEGCSA-N	0	1	248.330	0.650	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cn2ccnc2)C1	ZINC001009710709	634528147	/nfs/dbraw/zinc/52/81/47/634528147.db2.gz	SIMNAKYGTSLSPC-LBPRGKRZSA-N	0	1	248.330	0.650	20	30		BCEDMN
C=CCN1CCCN(C(=O)Cc2cnc[nH]2)CC1	ZINC000982036763	635481297	/nfs/dbraw/zinc/48/12/97/635481297.db2.gz	VFPWPJWFMQDHJM-UHFFFAOYSA-N	0	1	248.330	0.673	20	30		BCEDMN
C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1	ZINC000971482442	631264275	/nfs/dbraw/zinc/26/42/75/631264275.db2.gz	RVVGNMCWHZWYME-NWDGAFQWSA-N	0	1	240.347	0.722	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2(C)CC2)C1	ZINC000971581863	631328487	/nfs/dbraw/zinc/32/84/87/631328487.db2.gz	GTIIVFNGYILTKD-LLVKDONJSA-N	0	1	220.316	0.952	20	30		BCEDMN
Cc1nc([C@H](C)N2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000933611391	631461907	/nfs/dbraw/zinc/46/19/07/631461907.db2.gz	YAYNWWZWESWRCC-KWQFWETISA-N	0	1	235.291	0.789	20	30		BCEDMN
C[C@H](O)[C@H](O)CN(C)Cc1cc(C#N)cs1	ZINC000933770039	631506708	/nfs/dbraw/zinc/50/67/08/631506708.db2.gz	FZFSIBUEIIGXSG-GZMMTYOYSA-N	0	1	240.328	0.793	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cncn2C)C1	ZINC000971874189	631571288	/nfs/dbraw/zinc/57/12/88/631571288.db2.gz	BVNLXEWGKWSGRE-LLVKDONJSA-N	0	1	246.314	0.200	20	30		BCEDMN
N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H]2CO)CC1	ZINC000934014173	631594557	/nfs/dbraw/zinc/59/45/57/631594557.db2.gz	ZKGPUCLLPNWRSE-VHSXEESVSA-N	0	1	210.277	0.108	20	30		BCEDMN
N#Cc1ccc([C@H](O)CN2CC[C@H]2CO)cc1	ZINC000934024757	631597496	/nfs/dbraw/zinc/59/74/96/631597496.db2.gz	GKBCVDGKLDAYMB-QWHCGFSZSA-N	0	1	232.283	0.658	20	30		BCEDMN
CS/C=C\C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000308851895	631693408	/nfs/dbraw/zinc/69/34/08/631693408.db2.gz	CIHQQVBHASLNHH-OUZXLXBKSA-N	0	1	211.290	0.091	20	30		BCEDMN
C=CC[C@H]1CCN1[C@@H](C)C(=O)NC(=O)NC	ZINC000934473489	631867177	/nfs/dbraw/zinc/86/71/77/631867177.db2.gz	WMDKOBNABNUFPZ-IUCAKERBSA-N	0	1	225.292	0.481	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1C(=O)N[C@@H](C)C1=O	ZINC000934514720	631895026	/nfs/dbraw/zinc/89/50/26/631895026.db2.gz	ANGCCQABCJJYKS-WDEREUQCSA-N	0	1	249.314	0.414	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2ccnn2C)C1	ZINC001006876165	632018015	/nfs/dbraw/zinc/01/80/15/632018015.db2.gz	SOSHTULBHRLFEM-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCS(=O)(=O)CCNCc1cc[nH]c1	ZINC000308878969	632066280	/nfs/dbraw/zinc/06/62/80/632066280.db2.gz	TUGXBJXBDLKVCQ-UHFFFAOYSA-N	0	1	228.317	0.705	20	30		BCEDMN
C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C1CC1	ZINC000309500410	632417171	/nfs/dbraw/zinc/41/71/71/632417171.db2.gz	LKSDYDPGVIVLKV-UJNFCWOMSA-N	0	1	207.277	0.260	20	30		BCEDMN
C#CCN1CCC[C@H](CNC(=O)c2ccon2)C1	ZINC001023246539	632424768	/nfs/dbraw/zinc/42/47/68/632424768.db2.gz	KAIOBQLRSZMYSH-LLVKDONJSA-N	0	1	247.298	0.750	20	30		BCEDMN
C#CCN1CCC[C@@H](CNC(=O)c2ccon2)C1	ZINC001023246540	632425439	/nfs/dbraw/zinc/42/54/39/632425439.db2.gz	KAIOBQLRSZMYSH-NSHDSACASA-N	0	1	247.298	0.750	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ncccn2)C1	ZINC000972589055	632490724	/nfs/dbraw/zinc/49/07/24/632490724.db2.gz	KDSCOHQNOOIRER-LLVKDONJSA-N	0	1	244.298	0.256	20	30		BCEDMN
C#C[C@@H](NCC(OC)OC)[C@@H]1CCCO1	ZINC000308969482	632599991	/nfs/dbraw/zinc/59/99/91/632599991.db2.gz	YESNRVIBKCKLEF-ZJUUUORDSA-N	0	1	213.277	0.376	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccsc1	ZINC000309653318	632618700	/nfs/dbraw/zinc/61/87/00/632618700.db2.gz	UNYDRDALVUIFMK-BDAKNGLRSA-N	0	1	221.285	0.589	20	30		BCEDMN
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C#CCN(CC(=O)NC(=O)NCC)C(C)(C)C	ZINC000932470532	640539699	/nfs/dbraw/zinc/53/96/99/640539699.db2.gz	UDEVFFKYZGKUFR-UHFFFAOYSA-N	0	1	239.319	0.566	20	30		BCEDMN
C=C(C)CN1CC(NC(=O)[C@H]2CCCN2C)C1	ZINC001030156274	640641434	/nfs/dbraw/zinc/64/14/34/640641434.db2.gz	WNVLCEHVWQEXBP-GFCCVEGCSA-N	0	1	237.347	0.457	20	30		BCEDMN
CCN(CCC(=O)NC)C[C@H](C#N)CCC#N	ZINC000933869457	640777761	/nfs/dbraw/zinc/77/77/61/640777761.db2.gz	WFKJIYRIQIYSOC-NSHDSACASA-N	0	1	236.319	0.888	20	30		BCEDMN
C=C(Cl)CN1CCN(C)CCN(C)CC1	ZINC000933991356	640801385	/nfs/dbraw/zinc/80/13/85/640801385.db2.gz	OVOJTOBMDYXQDC-UHFFFAOYSA-N	0	1	231.771	0.918	20	30		BCEDMN
C=CCN1CC[C@H](N(C)[C@H]2CC[C@H]2OC)C1=O	ZINC000934109583	641073465	/nfs/dbraw/zinc/07/34/65/641073465.db2.gz	AXYIUTCZUZVFII-SDDRHHMPSA-N	0	1	238.331	0.883	20	30		BCEDMN
C#CCSCCNCc1cn(C)nn1	ZINC000230665659	641082932	/nfs/dbraw/zinc/08/29/32/641082932.db2.gz	PCKIUWYLYPTVTQ-UHFFFAOYSA-N	0	1	210.306	0.271	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)[C@@H]1CC[C@H]1OC	ZINC000934128178	641085535	/nfs/dbraw/zinc/08/55/35/641085535.db2.gz	QJXMIDCHDVVQHZ-HBNTYKKESA-N	0	1	224.304	0.234	20	30		BCEDMN
C#C[C@H]1CCCCN1CCc1nnnn1C	ZINC000934519454	641186490	/nfs/dbraw/zinc/18/64/90/641186490.db2.gz	RVWJODHXXIUBOT-JTQLQIEISA-N	0	1	219.292	0.240	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@H](N(C)CC#N)C2)n[nH]1	ZINC000971149650	641196350	/nfs/dbraw/zinc/19/63/50/641196350.db2.gz	LECBYSSIGGDBAI-JTQLQIEISA-N	0	1	247.302	0.388	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cncs2)C1	ZINC000971149812	641196525	/nfs/dbraw/zinc/19/65/25/641196525.db2.gz	MMEBBLNSTPSJPJ-SNVBAGLBSA-N	0	1	249.339	0.923	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2cnco2)C1	ZINC001015444676	641690409	/nfs/dbraw/zinc/69/04/09/641690409.db2.gz	UINDUNBXJZTSOC-SNVBAGLBSA-N	0	1	233.271	0.502	20	30		BCEDMN
C#CCC1(NC(=O)[C@@H](C)N(C)C)CCOCC1	ZINC000925415796	641737009	/nfs/dbraw/zinc/73/70/09/641737009.db2.gz	GTFUCYGTDUYLSK-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCN1C	ZINC000925419194	641773394	/nfs/dbraw/zinc/77/33/94/641773394.db2.gz	MGCHITRSNSSTAE-QWRGUYRKSA-N	0	1	241.335	0.174	20	30		BCEDMN
C#CCN1CCC2(CC1)CN(C(C)=O)CCO2	ZINC000948988896	641835157	/nfs/dbraw/zinc/83/51/57/641835157.db2.gz	APNDXASPRGMWNW-UHFFFAOYSA-N	0	1	236.315	0.333	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn[n-]2)[C@@H]1C	ZINC000993539542	641875810	/nfs/dbraw/zinc/87/58/10/641875810.db2.gz	HKEXEGYYAIUYMM-UWVGGRQHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn[n-]2)[C@H]1C	ZINC000993539547	641876247	/nfs/dbraw/zinc/87/62/47/641876247.db2.gz	HKEXEGYYAIUYMM-ZJUUUORDSA-N	0	1	247.302	0.021	20	30		BCEDMN
C[NH+]1CCN(N=Cc2ccccc2C(=O)[O-])CC1	ZINC000916581777	641952815	/nfs/dbraw/zinc/95/28/15/641952815.db2.gz	RONHPMDOZSJDQF-UHFFFAOYSA-N	0	1	247.298	0.966	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1CC1	ZINC000916891122	641984115	/nfs/dbraw/zinc/98/41/15/641984115.db2.gz	QEKNWQPYFPBNCE-SECBINFHSA-N	0	1	224.260	0.258	20	30		BCEDMN
CCOCC(=O)C(C#N)C(=O)NC1CC1	ZINC000916926911	641985262	/nfs/dbraw/zinc/98/52/62/641985262.db2.gz	GDVQBAXJWJNZSR-MRVPVSSYSA-N	0	1	210.233	0.010	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CC[C@@](C)(C#N)C1	ZINC000925435104	642028337	/nfs/dbraw/zinc/02/83/37/642028337.db2.gz	OIDPWBVMDFLMTK-JQWIXIFHSA-N	0	1	236.319	0.636	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CC[C@@](C)(C#N)C1	ZINC000925435105	642028964	/nfs/dbraw/zinc/02/89/64/642028964.db2.gz	OIDPWBVMDFLMTK-PWSUYJOCSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccc(=O)[nH]n2)C1	ZINC001031531055	642274715	/nfs/dbraw/zinc/27/47/15/642274715.db2.gz	JSGNYSZHMOIPTI-UHFFFAOYSA-N	0	1	248.286	0.030	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C)no2)C1	ZINC001031538740	642282670	/nfs/dbraw/zinc/28/26/70/642282670.db2.gz	DVLPDPGWMFSIQK-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cnn(C)c2)C1	ZINC001031539954	642286565	/nfs/dbraw/zinc/28/65/65/642286565.db2.gz	ZOGSDEJKMNMILY-UHFFFAOYSA-N	0	1	246.314	0.105	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCOC2)C1	ZINC000971177891	642313453	/nfs/dbraw/zinc/31/34/53/642313453.db2.gz	QZYGXTMMSOLWCK-RYUDHWBXSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)OC)C1	ZINC000971187574	642318457	/nfs/dbraw/zinc/31/84/57/642318457.db2.gz	PAYHXZOINCNEHW-VXGBXAGGSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2cscn2)C1	ZINC000971190803	642320963	/nfs/dbraw/zinc/32/09/63/642320963.db2.gz	JAPMJDJRZDNLOT-SNVBAGLBSA-N	0	1	249.339	0.923	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CCCOC2)C1	ZINC001031569402	642322939	/nfs/dbraw/zinc/32/29/39/642322939.db2.gz	CWOBBOVJSCKNAZ-GFCCVEGCSA-N	0	1	238.331	0.647	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cn(C)cn2)C1	ZINC001031613441	642379874	/nfs/dbraw/zinc/37/98/74/642379874.db2.gz	LPVWZDULKQZMJC-UHFFFAOYSA-N	0	1	248.330	0.658	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NCCC)C1	ZINC000847017982	642384891	/nfs/dbraw/zinc/38/48/91/642384891.db2.gz	GOQLIHQNCYHSGD-LLVKDONJSA-N	0	1	208.305	0.858	20	30		BCEDMN
C=CCOCCN1CCCNC(=O)[C@H]1CC	ZINC000933216182	642395926	/nfs/dbraw/zinc/39/59/26/642395926.db2.gz	JWGLJWWCYDPRMB-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1	ZINC000971436360	642461746	/nfs/dbraw/zinc/46/17/46/642461746.db2.gz	PTHGHRNUKGOGJN-LLVKDONJSA-N	0	1	238.331	0.313	20	30		BCEDMN
Cn1cc(C=NNC(=N)N)c(-c2cccnc2)n1	ZINC000920374792	642484410	/nfs/dbraw/zinc/48/44/10/642484410.db2.gz	ALJRACWEKMUAEC-UHFFFAOYSA-N	0	1	243.274	0.299	20	30		BCEDMN
C#CCCN(C)CC(=O)NCCCOC	ZINC000920415755	642490528	/nfs/dbraw/zinc/49/05/28/642490528.db2.gz	JGPHGLCXMLCVHZ-UHFFFAOYSA-N	0	1	212.293	0.094	20	30		BCEDMN
CC(C)OCC(=O)C(C#N)C(=O)NC1CC1	ZINC000920791993	642550367	/nfs/dbraw/zinc/55/03/67/642550367.db2.gz	JXATUUXAMSGWJP-VIFPVBQESA-N	0	1	224.260	0.399	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C	ZINC000925334124	642573143	/nfs/dbraw/zinc/57/31/43/642573143.db2.gz	JCWWQEZRAZAKMK-GARJFASQSA-N	0	1	223.320	0.742	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC1	ZINC000961483098	642691694	/nfs/dbraw/zinc/69/16/94/642691694.db2.gz	ZRMHHRVYPHDEAY-GDNZZTSVSA-N	0	1	232.327	0.856	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C	ZINC000961526432	642695591	/nfs/dbraw/zinc/69/55/91/642695591.db2.gz	SCLLJELXEVEJMW-KKJSVHSVSA-N	0	1	218.300	0.322	20	30		BCEDMN
CCS(=O)(=O)CCNCCCC#N	ZINC000233820064	642698306	/nfs/dbraw/zinc/69/83/06/642698306.db2.gz	AZIYDKHXMOYFNA-UHFFFAOYSA-N	0	1	204.295	0.314	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C	ZINC000961801596	642705965	/nfs/dbraw/zinc/70/59/65/642705965.db2.gz	FOGYXWMIBZLVLW-BNDIWNMDSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCCN1CCC[C@@H](NC(=O)c2ncc[nH]2)C1	ZINC001007290308	642706518	/nfs/dbraw/zinc/70/65/18/642706518.db2.gz	DDKXNCKUCPBQIO-LLVKDONJSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1	ZINC000961995390	642711403	/nfs/dbraw/zinc/71/14/03/642711403.db2.gz	ODVQFATVJIWZCY-URLYPYJESA-N	0	1	244.298	0.011	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cc2cnoc2)C1	ZINC001008280951	642833161	/nfs/dbraw/zinc/83/31/61/642833161.db2.gz	FYGWCSDTFCYNQR-LBPRGKRZSA-N	0	1	249.314	0.984	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)C2CCOCC2)C1	ZINC001009882753	642843441	/nfs/dbraw/zinc/84/34/41/642843441.db2.gz	LPYVANIPBKXLFX-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2ccnn2C)C1	ZINC001010350132	642860253	/nfs/dbraw/zinc/86/02/53/642860253.db2.gz	SMRFOGBHSJTPNG-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)Cc2ccon2)C1	ZINC001010405595	642863350	/nfs/dbraw/zinc/86/33/50/642863350.db2.gz	VTXXOBJWXNZQHK-GFCCVEGCSA-N	0	1	247.298	0.431	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)C2)c1C	ZINC001010397296	642863440	/nfs/dbraw/zinc/86/34/40/642863440.db2.gz	NQUQUZPHQXABTQ-SNVBAGLBSA-N	0	1	247.302	0.354	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cn(C)cn2)C1	ZINC001010551174	642867528	/nfs/dbraw/zinc/86/75/28/642867528.db2.gz	KTKMTZFWGGHWJQ-SNVBAGLBSA-N	0	1	234.303	0.410	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2)C1	ZINC001010550964	642867795	/nfs/dbraw/zinc/86/77/95/642867795.db2.gz	IFLALMPKVLAWHL-ZDUSSCGKSA-N	0	1	245.326	0.853	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2cncnc2)C1	ZINC001010711785	642872632	/nfs/dbraw/zinc/87/26/32/642872632.db2.gz	LWDAXRDGWJKXPC-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1	ZINC001010676575	642873271	/nfs/dbraw/zinc/87/32/71/642873271.db2.gz	PXGHJJLTTDVPIU-QWRGUYRKSA-N	0	1	249.318	0.216	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2ncn(C)n2)C1	ZINC001010878484	642875599	/nfs/dbraw/zinc/87/55/99/642875599.db2.gz	UKUNOKUCFDTJSP-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=C(C)CN1CC[C@@H](NC(=O)c2[nH]nnc2C)C1	ZINC001015479175	642899483	/nfs/dbraw/zinc/89/94/83/642899483.db2.gz	HFLUTMBEJPGXIR-SNVBAGLBSA-N	0	1	249.318	0.493	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1	ZINC001015537253	642905011	/nfs/dbraw/zinc/90/50/11/642905011.db2.gz	LUJASTRCNDZHKA-TUAOUCFPSA-N	0	1	220.316	0.856	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1	ZINC001015567322	642905304	/nfs/dbraw/zinc/90/53/04/642905304.db2.gz	JWUSIANHJHJBDZ-WUHRBBMRSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015820244	642929715	/nfs/dbraw/zinc/92/97/15/642929715.db2.gz	BCASPPUPPMJQHB-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CCCN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015820244	642929727	/nfs/dbraw/zinc/92/97/27/642929727.db2.gz	BCASPPUPPMJQHB-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001015761712	642931313	/nfs/dbraw/zinc/93/13/13/642931313.db2.gz	KASYLEMIMMWGLU-NSHDSACASA-N	0	1	246.314	0.166	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1	ZINC001016108807	642949748	/nfs/dbraw/zinc/94/97/48/642949748.db2.gz	XSXIPOWZERPKPF-NSHDSACASA-N	0	1	246.314	0.084	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCCO1	ZINC000131000030	643091575	/nfs/dbraw/zinc/09/15/75/643091575.db2.gz	RSCITUGMMWCCDM-VHSXEESVSA-N	0	1	238.287	0.789	20	30		BCEDMN
CO[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1	ZINC000120287141	643150361	/nfs/dbraw/zinc/15/03/61/643150361.db2.gz	OSSVAOHGHVODRY-WCBMZHEXSA-N	0	1	238.287	0.789	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cn(C)cn2)C1	ZINC000969496318	643178340	/nfs/dbraw/zinc/17/83/40/643178340.db2.gz	DHMBOJOICSVJHZ-SNVBAGLBSA-N	0	1	248.330	0.656	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1	ZINC000969585934	643194793	/nfs/dbraw/zinc/19/47/93/643194793.db2.gz	WSVAZHLQHKRWRF-SECBINFHSA-N	0	1	249.318	0.051	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CCO[C@@H]2C)C1	ZINC001032076127	643236745	/nfs/dbraw/zinc/23/67/45/643236745.db2.gz	LLWZMMYWDHOJPS-ZYHUDNBSSA-N	0	1	238.331	0.645	20	30		BCEDMN
Cc1cccc2c1NC(=O)C2=NNC(=N)N	ZINC000016045249	643269294	/nfs/dbraw/zinc/26/92/94/643269294.db2.gz	FABHGZGZVAZDTK-UHFFFAOYSA-N	0	1	217.232	0.784	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1ccc2[nH]nnc2c1	ZINC000185358320	643299231	/nfs/dbraw/zinc/29/92/31/643299231.db2.gz	BBUFPXGKAQBGON-ZETCQYMHSA-N	0	1	214.228	0.709	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1	ZINC000185358341	643300862	/nfs/dbraw/zinc/30/08/62/643300862.db2.gz	BBUFPXGKAQBGON-SSDOTTSWSA-N	0	1	214.228	0.709	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2nonc2C)C1	ZINC001032225243	643355268	/nfs/dbraw/zinc/35/52/68/643355268.db2.gz	BCUZFSWYWJKKPM-UHFFFAOYSA-N	0	1	248.286	0.063	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2[nH]cnc2C)C1	ZINC001032229841	643373913	/nfs/dbraw/zinc/37/39/13/643373913.db2.gz	NFMYABXRTUOYBU-UHFFFAOYSA-N	0	1	248.330	0.956	20	30		BCEDMN
C[S@](=O)CCN1CCC(C)(C#N)CC1	ZINC000307072197	643402712	/nfs/dbraw/zinc/40/27/12/643402712.db2.gz	YESRUAMCBMZZCP-AWEZNQCLSA-N	0	1	214.334	0.991	20	30		BCEDMN
C#C[C@@H](C)NC(=O)c1nnc2ccccc2c1O	ZINC000186002889	643422534	/nfs/dbraw/zinc/42/25/34/643422534.db2.gz	CLIMFPQQDMLBLV-MRVPVSSYSA-N	0	1	241.250	0.675	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2ccncn2)C1	ZINC000970609571	643482444	/nfs/dbraw/zinc/48/24/44/643482444.db2.gz	YUIXBGKANLGEMQ-SNVBAGLBSA-N	0	1	246.314	0.713	20	30		BCEDMN
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF	ZINC001032316670	643495059	/nfs/dbraw/zinc/49/50/59/643495059.db2.gz	CFQYAGVAZBKOFG-VWYCJHECSA-N	0	1	239.294	0.791	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](C)[C@H](OC)C1	ZINC000299893883	643601204	/nfs/dbraw/zinc/60/12/04/643601204.db2.gz	PZFOKVAGJNKYQB-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C2CC2)C1	ZINC000970924382	643620016	/nfs/dbraw/zinc/62/00/16/643620016.db2.gz	OGWDABJEHOAQEK-NSHDSACASA-N	0	1	206.289	0.562	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H](O)COC(C)C	ZINC000086138660	643629966	/nfs/dbraw/zinc/62/99/66/643629966.db2.gz	SIROLAAUGCCRCP-JTQLQIEISA-N	0	1	231.292	0.345	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C(C)(F)F)C1	ZINC000970943066	643632176	/nfs/dbraw/zinc/63/21/76/643632176.db2.gz	WIHBWRIBNUNMTE-VIFPVBQESA-N	0	1	230.258	0.808	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cccnc2)C1	ZINC000970964641	643639604	/nfs/dbraw/zinc/63/96/04/643639604.db2.gz	CRBTVIDAXLIRHF-ZDUSSCGKSA-N	0	1	243.310	0.861	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cnccn2)C1	ZINC000970993741	643653791	/nfs/dbraw/zinc/65/37/91/643653791.db2.gz	KTUIVDFPMMMBKE-NSHDSACASA-N	0	1	244.298	0.256	20	30		BCEDMN
Cc1cc(C(=O)N(C)C2CC(NCC#N)C2)n[nH]1	ZINC000998506624	643710819	/nfs/dbraw/zinc/71/08/19/643710819.db2.gz	LOAGXYZIBKOLIN-UHFFFAOYSA-N	0	1	247.302	0.434	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCC(C)(C)C#N	ZINC000921888150	643817328	/nfs/dbraw/zinc/81/73/28/643817328.db2.gz	NYWJDMNVRHRYBZ-SECBINFHSA-N	0	1	224.308	0.539	20	30		BCEDMN
CC[N@H+]1CC[C@H]1CNC(=O)C#CC1CC1	ZINC000922155634	643876201	/nfs/dbraw/zinc/87/62/01/643876201.db2.gz	DGAAJFRDZLUHNE-NSHDSACASA-N	0	1	206.289	0.610	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)C#CC1CC1	ZINC000922155634	643876208	/nfs/dbraw/zinc/87/62/08/643876208.db2.gz	DGAAJFRDZLUHNE-NSHDSACASA-N	0	1	206.289	0.610	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cc2cnoc2)CC1	ZINC001003481951	643897286	/nfs/dbraw/zinc/89/72/86/643897286.db2.gz	NNNJAHRORQBPAP-UHFFFAOYSA-N	0	1	247.298	0.431	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC=C[C@@H]2CO)CC1	ZINC000922268943	643938336	/nfs/dbraw/zinc/93/83/36/643938336.db2.gz	ZPBBSHVWNJSEEX-CYBMUJFWSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnn(CCF)c1	ZINC000922299736	643959285	/nfs/dbraw/zinc/95/92/85/643959285.db2.gz	QXHZMGIPVCXXHM-LBPRGKRZSA-N	0	1	239.294	0.981	20	30		BCEDMN
C#C[C@H](NC(=O)NC[C@@H]1CCN1C)C(C)C	ZINC000922520263	644011019	/nfs/dbraw/zinc/01/10/19/644011019.db2.gz	KXHJUQKIOZFQQH-QWRGUYRKSA-N	0	1	223.320	0.648	20	30		BCEDMN
C=CCCn1cc(CN[C@@H]2COC[C@@H]2C)nn1	ZINC000922641243	644056201	/nfs/dbraw/zinc/05/62/01/644056201.db2.gz	YYSGOVXPWCDPLA-CMPLNLGQSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=CCCn1cc(CN[C@H]2COC[C@H]2C)nn1	ZINC000922641245	644056819	/nfs/dbraw/zinc/05/68/19/644056819.db2.gz	YYSGOVXPWCDPLA-PWSUYJOCSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CN1CCCC1	ZINC000922738065	644080020	/nfs/dbraw/zinc/08/00/20/644080020.db2.gz	PYLQBWQFSRTANV-NSHDSACASA-N	0	1	226.320	0.526	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCC(C)(C)CC#N	ZINC000922835454	644113697	/nfs/dbraw/zinc/11/36/97/644113697.db2.gz	FTMIYFAYTQMZJL-JTQLQIEISA-N	0	1	238.335	0.930	20	30		BCEDMN
N#CC(C(=O)COCC1CC1)C(=O)NC1CC1	ZINC000193464632	644245443	/nfs/dbraw/zinc/24/54/43/644245443.db2.gz	VCKNIGVEJRCNIA-SNVBAGLBSA-N	0	1	236.271	0.400	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NC[C@H]1CCN1C	ZINC000923086903	644264719	/nfs/dbraw/zinc/26/47/19/644264719.db2.gz	RCUZDAKKAMOXBQ-DTWKUNHWSA-N	0	1	213.281	0.496	20	30		BCEDMN
C#CCN(C(=O)NCCCc1nc[nH]n1)C1CC1	ZINC000923132847	644270063	/nfs/dbraw/zinc/27/00/63/644270063.db2.gz	CTUWEHDDRJCMQO-UHFFFAOYSA-N	0	1	247.302	0.545	20	30		BCEDMN
C=CCCN(C)C(=O)NCCCc1nc[nH]n1	ZINC000923140176	644272741	/nfs/dbraw/zinc/27/27/41/644272741.db2.gz	TXSHRFYTHOQSEU-UHFFFAOYSA-N	0	1	237.307	0.955	20	30		BCEDMN
C#CCCNC(=O)NCCCc1nc[nH]n1	ZINC000923143729	644278577	/nfs/dbraw/zinc/27/85/77/644278577.db2.gz	VQRCMWHWUKZIAK-UHFFFAOYSA-N	0	1	221.264	0.060	20	30		BCEDMN
C#CCNCC(=O)N(CCC)CC1CC1	ZINC000082343967	644369018	/nfs/dbraw/zinc/36/90/18/644369018.db2.gz	DIQKULCRZBXZFG-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2	ZINC000759834371	644644685	/nfs/dbraw/zinc/64/46/85/644644685.db2.gz	PFGJTSULOXPDCB-YUMQZZPRSA-N	0	1	206.245	0.631	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccccc2O)N1	ZINC000779797983	644714995	/nfs/dbraw/zinc/71/49/95/644714995.db2.gz	MCQADBVDLXBPMG-QMMMGPOBSA-N	0	1	218.260	0.663	20	30		BCEDMN
CCn1cc(C=NNC2=NC[C@@H](C)N2)cn1	ZINC000779804929	644717795	/nfs/dbraw/zinc/71/77/95/644717795.db2.gz	HURSNVVZSTTZQK-MRVPVSSYSA-N	0	1	220.280	0.174	20	30		BCEDMN
CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC(C)C	ZINC000249717871	644734538	/nfs/dbraw/zinc/73/45/38/644734538.db2.gz	JYTRMQMHHUOPBA-KXUCPTDWSA-N	0	1	238.287	0.645	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](CO)c1ccccc1C	ZINC000782081229	644738581	/nfs/dbraw/zinc/73/85/81/644738581.db2.gz	JBAXKVMGNAZDLX-ZDUSSCGKSA-N	0	1	246.310	0.367	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H](C)c1nccnc1C	ZINC000783232714	644750647	/nfs/dbraw/zinc/75/06/47/644750647.db2.gz	WGPMQPUUZKCYKA-JTQLQIEISA-N	0	1	246.314	0.575	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F	ZINC000958067114	644774489	/nfs/dbraw/zinc/77/44/89/644774489.db2.gz	NFXPQPYUFKORBV-MYJAWHEDSA-N	0	1	242.269	0.711	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1	ZINC000958158568	644778816	/nfs/dbraw/zinc/77/88/16/644778816.db2.gz	XABDPRQRWPFNPH-XQHKEYJVSA-N	0	1	248.326	0.235	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1	ZINC000958271676	644785518	/nfs/dbraw/zinc/78/55/18/644785518.db2.gz	AJUDFLQGUJVJGJ-NMKXLXIOSA-N	0	1	248.326	0.235	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1	ZINC000958360328	644791215	/nfs/dbraw/zinc/79/12/15/644791215.db2.gz	JNOSHJSYDGNDII-WUHRBBMRSA-N	0	1	248.326	0.093	20	30		BCEDMN
Cn1cc(CN=Nc2cncnc2)cn1	ZINC000794978945	644805744	/nfs/dbraw/zinc/80/57/44/644805744.db2.gz	TVHGWQFCFCPWLB-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
C#CC[C@H]1CCCN(CC(=O)NC(=O)NC)C1	ZINC000829773331	645110874	/nfs/dbraw/zinc/11/08/74/645110874.db2.gz	DCGLUGLRVIBMNK-JTQLQIEISA-N	0	1	237.303	0.177	20	30		BCEDMN
CCC(=O)CCN1CC[C@](O)(CC#N)C1	ZINC000829998849	645112857	/nfs/dbraw/zinc/11/28/57/645112857.db2.gz	SFWFBEBAKYHNHU-LLVKDONJSA-N	0	1	210.277	0.706	20	30		BCEDMN
CC(C)c1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)[nH]n1	ZINC000834521465	645142535	/nfs/dbraw/zinc/14/25/35/645142535.db2.gz	JQKOIEFFUHRWIU-KWQFWETISA-N	0	1	247.302	0.374	20	30		BCEDMN
CC(C)COCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834521595	645142705	/nfs/dbraw/zinc/14/27/05/645142705.db2.gz	NTTIZIJWWFCGLZ-GHMZBOCLSA-N	0	1	239.319	0.277	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccncc1	ZINC000834521217	645143032	/nfs/dbraw/zinc/14/30/32/645143032.db2.gz	DYFABRGUCJXGPZ-VXGBXAGGSA-N	0	1	244.298	0.242	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCC2(CN(C)C2)C1	ZINC000834522108	645143696	/nfs/dbraw/zinc/14/36/96/645143696.db2.gz	GDAXLZRGVPVXDC-LLVKDONJSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCOCCC(=O)N1CCC2(CN(C)C2)C1	ZINC000834526305	645144497	/nfs/dbraw/zinc/14/44/97/645144497.db2.gz	MPUQHACIQBLRFQ-UHFFFAOYSA-N	0	1	236.315	0.190	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)NC1CCCCC1	ZINC000841507071	645218482	/nfs/dbraw/zinc/21/84/82/645218482.db2.gz	QKRZCRSWMSJPHV-ONGXEEELSA-N	0	1	236.319	0.730	20	30		BCEDMN
C#CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000843700641	645305853	/nfs/dbraw/zinc/30/58/53/645305853.db2.gz	CAZJEEAVUUPSGB-NXEZZACHSA-N	0	1	222.244	0.523	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cn(C3CCC3)nn2)=NO1	ZINC000843839910	645310372	/nfs/dbraw/zinc/31/03/72/645310372.db2.gz	JELZYEJYMSAKFH-SSDOTTSWSA-N	0	1	249.274	0.855	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CO[C@H](C)[C@H]2C)nn1	ZINC000926611439	645313908	/nfs/dbraw/zinc/31/39/08/645313908.db2.gz	MIXXNVBNGIAIDI-CKYFFXLPSA-N	0	1	236.319	0.977	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CO[C@@H](C)[C@H]2C)nn1	ZINC000926611442	645314852	/nfs/dbraw/zinc/31/48/52/645314852.db2.gz	MIXXNVBNGIAIDI-JFGNBEQYSA-N	0	1	236.319	0.977	20	30		BCEDMN
C#CCNCC(=O)NCc1cccc(OC)c1	ZINC000105964370	645369117	/nfs/dbraw/zinc/36/91/17/645369117.db2.gz	ZMXFITQOHIVGQT-UHFFFAOYSA-N	0	1	232.283	0.534	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC[C@H](C#C)C1	ZINC000847031725	645421952	/nfs/dbraw/zinc/42/19/52/645421952.db2.gz	UMFXVMYXIPITJZ-NEPJUHHUSA-N	0	1	218.300	0.470	20	30		BCEDMN
C[C@@H]1[C@@H](N2CCN(CCC#N)CC2)CO[C@H]1C	ZINC000926808445	645440623	/nfs/dbraw/zinc/44/06/23/645440623.db2.gz	QHOPEVOGSVSYFR-AVGNSLFASA-N	0	1	237.347	0.941	20	30		BCEDMN
C#CCOCCN1CCO[C@@]2(CCSC2)C1	ZINC000852203424	645473625	/nfs/dbraw/zinc/47/36/25/645473625.db2.gz	BYJROHKHFYWIJZ-LBPRGKRZSA-N	0	1	241.356	0.844	20	30		BCEDMN
C#CC[C@@H]1NC(=O)N(Cc2cc(CC)[nH]n2)C1=O	ZINC000927506935	645629960	/nfs/dbraw/zinc/62/99/60/645629960.db2.gz	LRIYRYQNMZKEQG-JTQLQIEISA-N	0	1	246.270	0.416	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@H]1CCCN1C	ZINC000863799833	645705673	/nfs/dbraw/zinc/70/56/73/645705673.db2.gz	RGSPFJHSCNCYID-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@H](C(=O)N1CCC[C@H](C#N)C1)N(C)C	ZINC000928211574	645709454	/nfs/dbraw/zinc/70/94/54/645709454.db2.gz	KVUBOPGXXKAZPY-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
C#CCC1(O)CCN(Cc2cncn2C)CC1	ZINC000880479959	645832699	/nfs/dbraw/zinc/83/26/99/645832699.db2.gz	DVXKQDSZGVKDRU-UHFFFAOYSA-N	0	1	233.315	0.770	20	30		BCEDMN
C#CC[C@H](CO)NCc1cccc(OCC)n1	ZINC000883123856	645848583	/nfs/dbraw/zinc/84/85/83/645848583.db2.gz	MYLKSTUYNHUAKB-GFCCVEGCSA-N	0	1	234.299	0.954	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H](O)C(C)C)CC1	ZINC000928653683	645851775	/nfs/dbraw/zinc/85/17/75/645851775.db2.gz	WMRKYRZTVVBNHU-GFCCVEGCSA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cscn2)CC1	ZINC000928653868	645852138	/nfs/dbraw/zinc/85/21/38/645852138.db2.gz	DGCKGIDADAWMJH-UHFFFAOYSA-N	0	1	249.339	0.971	20	30		BCEDMN
C#CCN1CCC(NC(=O)/C=C/C)CC1	ZINC000928648931	645852439	/nfs/dbraw/zinc/85/24/39/645852439.db2.gz	VKANVKMAQSSQJI-HWKANZROSA-N	0	1	206.289	0.776	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](C)CC#N)CC1	ZINC000928648290	645852787	/nfs/dbraw/zinc/85/27/87/645852787.db2.gz	JIDRCLQHYKNGHQ-NSHDSACASA-N	0	1	233.315	0.750	20	30		BCEDMN
C#CCN1CCC(NC(=O)C(C)(C)CO)CC1	ZINC000928652982	645852820	/nfs/dbraw/zinc/85/28/20/645852820.db2.gz	UIGWTVBSSZSWKD-UHFFFAOYSA-N	0	1	238.331	0.219	20	30		BCEDMN
C#CCN1CCC(NC(=O)/C=C/COC)CC1	ZINC000928653119	645853860	/nfs/dbraw/zinc/85/38/60/645853860.db2.gz	ZREFYFUUACALBW-SNAWJCMRSA-N	0	1	236.315	0.403	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2(C#N)CCC2)CC1	ZINC000928655107	645854188	/nfs/dbraw/zinc/85/41/88/645854188.db2.gz	KQDRUANXQCXPCM-UHFFFAOYSA-N	0	1	245.326	0.894	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCCN(C(=O)CC)CC1	ZINC000929318160	646077829	/nfs/dbraw/zinc/07/78/29/646077829.db2.gz	DVENACYLKWZZNV-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C#CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	ZINC000929382887	646105768	/nfs/dbraw/zinc/10/57/68/646105768.db2.gz	IOHPLNBORWWRGA-UHFFFAOYSA-N	0	1	235.287	0.124	20	30		BCEDMN
C=CCC[C@@H]1NC(=O)N(C[C@H]2CCN2C)C1=O	ZINC000925196516	646205623	/nfs/dbraw/zinc/20/56/23/646205623.db2.gz	NLFDCLIAFJOIST-ZJUUUORDSA-N	0	1	237.303	0.577	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)NC[C@H]1CCN1C	ZINC000925432733	646279685	/nfs/dbraw/zinc/27/96/85/646279685.db2.gz	URPXZAWFQYIVDD-GHMZBOCLSA-N	0	1	241.335	0.317	20	30		BCEDMN
C#CCC1(NC(=O)NC[C@@H]2CCN2C)CCC1	ZINC000925439110	646283918	/nfs/dbraw/zinc/28/39/18/646283918.db2.gz	QXGWBRNSDMHELD-NSHDSACASA-N	0	1	235.331	0.936	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCC2(C1)OCCO2	ZINC000929962364	646379453	/nfs/dbraw/zinc/37/94/53/646379453.db2.gz	BGZXAOSAOHNGEF-SNVBAGLBSA-N	0	1	213.277	0.372	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCO1	ZINC001038042115	711578086	/nfs/dbraw/zinc/57/80/86/711578086.db2.gz	VVKVBGFOSSHKKQ-RYUDHWBXSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCO1	ZINC001038042112	711578114	/nfs/dbraw/zinc/57/81/14/711578114.db2.gz	VVKVBGFOSSHKKQ-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
COC[C@H](C)[C@H](C)C(=O)NCC#CCN(C)C	ZINC000913522308	711824137	/nfs/dbraw/zinc/82/41/37/711824137.db2.gz	CWOXULPDFZEHTP-RYUDHWBXSA-N	0	1	240.347	0.586	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@@]1(C)CCCOC1	ZINC000913520970	711824083	/nfs/dbraw/zinc/82/40/83/711824083.db2.gz	GOWFIPQKPRIURN-ZDUSSCGKSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=CCN1CC(NC(=O)[C@@H]2CCCN2C)C1	ZINC001030155934	711827232	/nfs/dbraw/zinc/82/72/32/711827232.db2.gz	RQBNXEBKPDRGAG-NSHDSACASA-N	0	1	223.320	0.067	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1	ZINC001032923511	711967628	/nfs/dbraw/zinc/96/76/28/711967628.db2.gz	FUFMQFUZWZFZKC-SNVBAGLBSA-N	0	1	232.287	0.189	20	30		BCEDMN
CN(C(=O)c1ccn[nH]1)[C@@H]1CCN(CC#N)C1	ZINC001032924402	711968067	/nfs/dbraw/zinc/96/80/67/711968067.db2.gz	KOVFBJDZNJYAMH-SECBINFHSA-N	0	1	233.275	0.080	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1	ZINC001032944260	711969078	/nfs/dbraw/zinc/96/90/78/711969078.db2.gz	WOUCXJJZPJRIBS-NWDGAFQWSA-N	0	1	238.331	0.742	20	30		BCEDMN
C#CCN1CC2(C1)CCN(C(=O)C(F)F)CC2	ZINC001035630219	712138203	/nfs/dbraw/zinc/13/82/03/712138203.db2.gz	NCUYUHAVEUHCSD-UHFFFAOYSA-N	0	1	242.269	0.809	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)CC2CC2)C1	ZINC001079347839	712348084	/nfs/dbraw/zinc/34/80/84/712348084.db2.gz	KWZOLWXCHWCGIR-ZYHUDNBSSA-N	0	1	220.316	0.856	20	30		BCEDMN
Cc1nc(COC(=O)CC2(C#N)CC2)n[nH]1	ZINC000815414093	712589149	/nfs/dbraw/zinc/58/91/49/712589149.db2.gz	QDEQKXOMBNZGOU-UHFFFAOYSA-N	0	1	220.232	0.850	20	30		BCEDMN
C#CC[C@H](COC)NCc1cncnc1	ZINC000716928724	712596499	/nfs/dbraw/zinc/59/64/99/712596499.db2.gz	MZOFUEFMLXTFNH-LLVKDONJSA-N	0	1	205.261	0.605	20	30		BCEDMN
C=CCOCCN1CCC[C@@H]2CCNC(=O)[C@@H]21	ZINC000880523708	712633547	/nfs/dbraw/zinc/63/35/47/712633547.db2.gz	KNGILGSRGCLKQG-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
Cc1[nH+]c(NCC#CCO)ccc1C(=O)[O-]	ZINC000717492980	712659914	/nfs/dbraw/zinc/65/99/14/712659914.db2.gz	GBVNWLXEJXAOBM-UHFFFAOYSA-N	0	1	220.228	0.496	20	30		BCEDMN
OCC#CCNC[C@H](O)c1ccccc1F	ZINC000717531942	712660759	/nfs/dbraw/zinc/66/07/59/712660759.db2.gz	KRKVGDOKPUWSNL-LBPRGKRZSA-N	0	1	223.247	0.444	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCC1(OC)OC	ZINC000717536541	712660909	/nfs/dbraw/zinc/66/09/09/712660909.db2.gz	ZHAHGAIDWGELFE-RKDXNWHRSA-N	0	1	201.266	0.274	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1ccc(F)cc1O	ZINC000717732300	712668236	/nfs/dbraw/zinc/66/82/36/712668236.db2.gz	GHSIQPKWELTVOE-SECBINFHSA-N	0	1	237.230	0.645	20	30		BCEDMN
C#CC[C@H](CO)N[C@@H](C)c1cnccn1	ZINC000717778189	712675720	/nfs/dbraw/zinc/67/57/20/712675720.db2.gz	YLVBRBPCXBCHME-VHSXEESVSA-N	0	1	205.261	0.511	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC1(Cl)Cl	ZINC000381481147	710643967	/nfs/dbraw/zinc/64/39/67/710643967.db2.gz	DJDMOEIFKJSCBE-DSYKOEDSSA-N	0	1	248.113	0.408	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ccncc1	ZINC001038013793	712898565	/nfs/dbraw/zinc/89/85/65/712898565.db2.gz	HKBKXHGYQYLISM-ZDUSSCGKSA-N	0	1	243.310	0.909	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2	ZINC001038272954	710682704	/nfs/dbraw/zinc/68/27/04/710682704.db2.gz	ZGCAUDURQASLPV-SCRDCRAPSA-N	0	1	248.326	0.237	20	30		BCEDMN
CO[C@@H]1CCOC[C@H]1NCc1cncc(C#N)c1	ZINC000724879220	710747546	/nfs/dbraw/zinc/74/75/46/710747546.db2.gz	DKCNZUNPVHTSTI-CHWSQXEVSA-N	0	1	247.298	0.847	20	30		BCEDMN
CCC(=NNCC(N)=O)c1cccc(N)c1	ZINC000382006789	710765663	/nfs/dbraw/zinc/76/56/63/710765663.db2.gz	BIYFFFPGQORFND-UHFFFAOYSA-N	0	1	220.276	0.458	20	30		BCEDMN
C#CCN1CC[C@@H]2CCN(C(=O)COC)C[C@@H]21	ZINC001041871756	710771724	/nfs/dbraw/zinc/77/17/24/710771724.db2.gz	FTHQSQONCRFEDG-NEPJUHHUSA-N	0	1	236.315	0.189	20	30		BCEDMN
C=C(C)CN1CC(N(C)C(=O)Cc2ccn[nH]2)C1	ZINC001042564593	710792625	/nfs/dbraw/zinc/79/26/25/710792625.db2.gz	LCHVHXVRDWNBJU-UHFFFAOYSA-N	0	1	248.330	0.671	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cnccn2)C1	ZINC001046109492	710850620	/nfs/dbraw/zinc/85/06/20/710850620.db2.gz	NHWVLRODDYBCRR-CYBMUJFWSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2ccnn2C)C1	ZINC001046182329	710853912	/nfs/dbraw/zinc/85/39/12/710853912.db2.gz	GCNZRGLJLZAQGT-ZDUSSCGKSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001046190827	710855478	/nfs/dbraw/zinc/85/54/78/710855478.db2.gz	XIGXZEIFDIKNKO-TZMCWYRMSA-N	0	1	249.358	0.294	20	30		BCEDMN
C#CCN1CC[C@@](C)(NC(=O)C2=CCOCC2)C1	ZINC001046258863	710856673	/nfs/dbraw/zinc/85/66/73/710856673.db2.gz	ARSHEZIAXYSDKJ-CQSZACIVSA-N	0	1	248.326	0.547	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@]23C[C@H]2COC3)C1	ZINC001046324088	710858194	/nfs/dbraw/zinc/85/81/94/710858194.db2.gz	HXJAYHGIJSUFCL-UBHSHLNASA-N	0	1	248.326	0.237	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1	ZINC001046530857	710862292	/nfs/dbraw/zinc/86/22/92/710862292.db2.gz	JYYFAPMQPVQKLD-GFCCVEGCSA-N	0	1	249.318	0.493	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@H](NCC#N)[C@@H](C)C2)[nH]1	ZINC001054477685	710935720	/nfs/dbraw/zinc/93/57/20/710935720.db2.gz	CHVYPXKAGULGPK-KWQFWETISA-N	0	1	247.302	0.292	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnco2)CC1	ZINC001052605831	710965264	/nfs/dbraw/zinc/96/52/64/710965264.db2.gz	OAVBOJKFVYRLSS-NSHDSACASA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CCN(CC)C[C@H](O)CC(=O)OCC	ZINC000382542146	710973851	/nfs/dbraw/zinc/97/38/51/710973851.db2.gz	VNYPGZKAJPURQN-SNVBAGLBSA-N	0	1	213.277	0.256	20	30		BCEDMN
C[C@H](C#N)OCCN1CCSC[C@H]1CO	ZINC000388593262	711062288	/nfs/dbraw/zinc/06/22/88/711062288.db2.gz	INFKNULCWFNGFF-NXEZZACHSA-N	0	1	230.333	0.325	20	30		BCEDMN
CC[N@H+]1CCC(=NNCC(=O)[O-])[C@@H](C)C1	ZINC000393910844	711178429	/nfs/dbraw/zinc/17/84/29/711178429.db2.gz	BQXCTPGWJRBLJZ-QMMMGPOBSA-N	0	1	213.281	0.378	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@](C)(COC)C1	ZINC000394484003	711194023	/nfs/dbraw/zinc/19/40/23/711194023.db2.gz	MYWNPKZOGYLRPP-LBPRGKRZSA-N	0	1	224.304	0.094	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CCCS1	ZINC000381483119	710644487	/nfs/dbraw/zinc/64/44/87/710644487.db2.gz	FZXZIGUNZPIUFY-HRDYMLBCSA-N	0	1	225.317	0.110	20	30		BCEDMN
C#CCN1CCC(C)(NC(=O)c2cnon2)CC1	ZINC001045592840	710839290	/nfs/dbraw/zinc/83/92/90/710839290.db2.gz	BNJCKQBVAHTTGU-UHFFFAOYSA-N	0	1	248.286	0.287	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2ccnnc2)C1	ZINC001046650565	710862747	/nfs/dbraw/zinc/86/27/47/710862747.db2.gz	MUJHXWCGEJEEQU-CYBMUJFWSA-N	0	1	246.314	0.857	20	30		BCEDMN
C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N	ZINC001049382193	710900669	/nfs/dbraw/zinc/90/06/69/710900669.db2.gz	NCTNJKYJENUUPC-JHJVBQTASA-N	0	1	245.326	0.845	20	30		BCEDMN
N#CCCNC(=O)CN1CCC[C@H](CO)CC1	ZINC000383249451	710979363	/nfs/dbraw/zinc/97/93/63/710979363.db2.gz	QVGAAQLLLRXTPC-NSHDSACASA-N	0	1	239.319	0.111	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1CC2(C1)CCN(CCF)C2	ZINC001072553058	711381426	/nfs/dbraw/zinc/38/14/26/711381426.db2.gz	VVDNXYPPFPMEOJ-JTQLQIEISA-N	0	1	239.294	0.650	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)C#CC3CC3)C2)C1	ZINC001072716291	711394572	/nfs/dbraw/zinc/39/45/72/711394572.db2.gz	NEWIPHGFXUIXIP-UHFFFAOYSA-N	0	1	242.322	0.567	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)on2)C1	ZINC000971024163	711494634	/nfs/dbraw/zinc/49/46/34/711494634.db2.gz	DQYSRNJLTCNUCU-NSHDSACASA-N	0	1	247.298	0.763	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1	ZINC000971024959	711494764	/nfs/dbraw/zinc/49/47/64/711494764.db2.gz	KZDUEHMPQWCYHE-RYUDHWBXSA-N	0	1	236.315	0.331	20	30		BCEDMN
C[C@H](C#N)OCCN1CCSCC1	ZINC000308181517	711511710	/nfs/dbraw/zinc/51/17/10/711511710.db2.gz	HNOCOZGMPTXECG-SECBINFHSA-N	0	1	200.307	0.964	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ncc[nH]1	ZINC001038231416	711561099	/nfs/dbraw/zinc/56/10/99/711561099.db2.gz	MKHOXFNMLAECRC-SNVBAGLBSA-N	0	1	234.303	0.790	20	30		BCEDMN
C[C@@H]1C[C@H](O)CN1Cc1cncc(C#N)c1	ZINC000721556343	711624258	/nfs/dbraw/zinc/62/42/58/711624258.db2.gz	KSAZQLFDYYTXTR-SKDRFNHKSA-N	0	1	217.272	0.908	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1	ZINC001075479960	711656382	/nfs/dbraw/zinc/65/63/82/711656382.db2.gz	MUAUSJHRRMRQEZ-QWHCGFSZSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1	ZINC001075538184	711692373	/nfs/dbraw/zinc/69/23/73/711692373.db2.gz	GXYLVNRHJAHFAB-WCQYABFASA-N	0	1	243.310	0.794	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C	ZINC000125100248	711716517	/nfs/dbraw/zinc/71/65/17/711716517.db2.gz	HNRLXVKXCNNOQL-KXUCPTDWSA-N	0	1	238.287	0.504	20	30		BCEDMN
CC[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC	ZINC000125146613	711718675	/nfs/dbraw/zinc/71/86/75/711718675.db2.gz	QTZFZXNGBGGCPD-ZJUUUORDSA-N	0	1	240.303	0.894	20	30		BCEDMN
Fc1ccc2c(c1)OCC2=NNC1=NCCN1	ZINC000841661583	711738902	/nfs/dbraw/zinc/73/89/02/711738902.db2.gz	YDZWTYPXJZYOFJ-UHFFFAOYSA-N	0	1	234.234	0.471	20	30		BCEDMN
Cc1cc(C(=O)N2CCCN(CC#N)CC2)n[nH]1	ZINC000980773037	711748458	/nfs/dbraw/zinc/74/84/58/711748458.db2.gz	FBTZCYNRPHWCPL-UHFFFAOYSA-N	0	1	247.302	0.390	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)C1=COCCC1	ZINC001038116923	711800717	/nfs/dbraw/zinc/80/07/17/711800717.db2.gz	SQKLEOCCPBJZMM-ZDUSSCGKSA-N	0	1	248.326	0.895	20	30		BCEDMN
CC(C)(C#N)CNC[C@@H](O)C1(O)CCC1	ZINC000905202280	711812603	/nfs/dbraw/zinc/81/26/03/711812603.db2.gz	GWRQATCCGWXJEF-SECBINFHSA-N	0	1	212.293	0.402	20	30		BCEDMN
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCC#CCN(C)C	ZINC000913524440	711823402	/nfs/dbraw/zinc/82/34/02/711823402.db2.gz	MQDIUNWXBGXTRC-IJLUTSLNSA-N	0	1	238.331	0.339	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCc1cccnc1	ZINC000913515853	711823732	/nfs/dbraw/zinc/82/37/32/711823732.db2.gz	QELIXIPAXUZBTQ-UHFFFAOYSA-N	0	1	245.326	0.695	20	30		BCEDMN
Cc1cc(C(=O)NCC#CCN(C)C)nc(C)n1	ZINC000913520968	711823952	/nfs/dbraw/zinc/82/39/52/711823952.db2.gz	GOCDBILNCXENLY-UHFFFAOYSA-N	0	1	246.314	0.388	20	30		BCEDMN
CC(C)[C@@H]1C[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913521093	711824049	/nfs/dbraw/zinc/82/40/49/711824049.db2.gz	KPKROJNBTXQKSL-RYUDHWBXSA-N	0	1	222.332	0.960	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cc(C=O)c[nH]1	ZINC000913522336	711824156	/nfs/dbraw/zinc/82/41/56/711824156.db2.gz	FKTQBYSSIAATGY-UHFFFAOYSA-N	0	1	233.271	0.122	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccn(CC)n2)C1	ZINC001015792383	711879435	/nfs/dbraw/zinc/87/94/35/711879435.db2.gz	WDJBIOGTADLIKP-LLVKDONJSA-N	0	1	248.330	0.893	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2coc(C)n2)C1	ZINC001031628323	711880009	/nfs/dbraw/zinc/88/00/09/711880009.db2.gz	HZBVDUIZNLLAML-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]n1	ZINC001032291611	711910883	/nfs/dbraw/zinc/91/08/83/711910883.db2.gz	ONJYOCSHVNKIBP-QWRGUYRKSA-N	0	1	246.314	0.885	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)C2CCC2)C1	ZINC001032856782	711964970	/nfs/dbraw/zinc/96/49/70/711964970.db2.gz	PRDLPCZKMZPKNT-GFCCVEGCSA-N	0	1	220.316	0.952	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1	ZINC001032897092	711967183	/nfs/dbraw/zinc/96/71/83/711967183.db2.gz	TZDHTYZGCIZQSE-GFCCVEGCSA-N	0	1	248.330	0.752	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)C(C)C)C1	ZINC001032927746	711968062	/nfs/dbraw/zinc/96/80/62/711968062.db2.gz	BQWZHGDGKSWDAQ-LLVKDONJSA-N	0	1	208.305	0.808	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1	ZINC001033320043	711982205	/nfs/dbraw/zinc/98/22/05/711982205.db2.gz	YLHMLMNUPMTBPH-JTQLQIEISA-N	0	1	249.318	0.445	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1	ZINC001033327512	711983539	/nfs/dbraw/zinc/98/35/39/711983539.db2.gz	JLVJCYHLMFFYOI-SRVKXCTJSA-N	0	1	220.316	0.808	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ccnnc2)C1	ZINC001033452641	711992023	/nfs/dbraw/zinc/99/20/23/711992023.db2.gz	KDRICNNVDSSMGP-LBPRGKRZSA-N	0	1	246.314	0.809	20	30		BCEDMN
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C#CCCN(CCOC)C(=O)c1cnc[nH]1	ZINC000700608702	712001251	/nfs/dbraw/zinc/00/12/51/712001251.db2.gz	LYEQASRNPSHVTO-UHFFFAOYSA-N	0	1	221.260	0.522	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CC[C@@H](N2CCC2)C1	ZINC000705371229	712130595	/nfs/dbraw/zinc/13/05/95/712130595.db2.gz	LLZGUCSJDITNQT-NXEZZACHSA-N	0	1	207.277	0.453	20	30		BCEDMN
C#CC1(O)CCN(CC(=O)N2CCCC2)CC1	ZINC000708136685	712182781	/nfs/dbraw/zinc/18/27/81/712182781.db2.gz	JNNWQUNPKFPVDW-UHFFFAOYSA-N	0	1	236.315	0.069	20	30		BCEDMN
C#CC1(O)CCN(CC(=O)N(CC)CC)CC1	ZINC000708142368	712183065	/nfs/dbraw/zinc/18/30/65/712183065.db2.gz	FGPXHSZUUCMGBW-UHFFFAOYSA-N	0	1	238.331	0.315	20	30		BCEDMN
CN1CC(C(=O)N[C@@H](C#N)C2CC2)=NC1=O	ZINC000708392557	712191590	/nfs/dbraw/zinc/19/15/90/712191590.db2.gz	SXUVJWXKSDHROU-ZETCQYMHSA-N	0	1	220.232	0.158	20	30		BCEDMN
C#CCCCS(=O)(=O)N(C)CCN(C)C	ZINC000710049490	712243934	/nfs/dbraw/zinc/24/39/34/712243934.db2.gz	IPPKDAKRKWQFEW-UHFFFAOYSA-N	0	1	232.349	0.223	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)CCN1CCCC1	ZINC000711064587	712278160	/nfs/dbraw/zinc/27/81/60/712278160.db2.gz	CKZLMSNPYNJZJH-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
CN1CC(C(=O)NC2(C#N)CCC2)=NC1=O	ZINC000711218621	712289984	/nfs/dbraw/zinc/28/99/84/712289984.db2.gz	ZUPLKSKQHYHFDH-UHFFFAOYSA-N	0	1	220.232	0.302	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)NC[C@H]1CCN1C	ZINC000923487903	712334288	/nfs/dbraw/zinc/33/42/88/712334288.db2.gz	IQNXVRKSLZTWBO-WDEREUQCSA-N	0	1	239.319	0.028	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1	ZINC001079355852	712347980	/nfs/dbraw/zinc/34/79/80/712347980.db2.gz	PMYBLPWELFHPNK-DGCLKSJQSA-N	0	1	243.310	0.765	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1	ZINC001079497619	712348945	/nfs/dbraw/zinc/34/89/45/712348945.db2.gz	MPGJJBZJFVMKOJ-BXKDBHETSA-N	0	1	246.314	0.401	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1	ZINC001079497685	712349244	/nfs/dbraw/zinc/34/92/44/712349244.db2.gz	QWFFOVURYFSELX-BXKDBHETSA-N	0	1	248.330	0.954	20	30		BCEDMN
CCN1CC[C@@H]1CNc1ccncc1C#N	ZINC000712593228	712435295	/nfs/dbraw/zinc/43/52/95/712435295.db2.gz	XCMVLWJJFCXZBJ-LLVKDONJSA-N	0	1	216.288	0.881	20	30		BCEDMN
CCN1CC[C@@H]1CNc1cnc(C#N)cn1	ZINC000712569115	712446975	/nfs/dbraw/zinc/44/69/75/712446975.db2.gz	IVCVEILMQMOFCW-SNVBAGLBSA-N	0	1	217.276	0.854	20	30		BCEDMN
CCN1CC[C@@H]1CNc1nccnc1C#N	ZINC000712571675	712447409	/nfs/dbraw/zinc/44/74/09/712447409.db2.gz	YKRHHLSKBTXCPE-SECBINFHSA-N	0	1	217.276	0.854	20	30		BCEDMN
C=CCC[C@H](CO)NCc1cn(CC)nn1	ZINC000714928193	712500219	/nfs/dbraw/zinc/50/02/19/712500219.db2.gz	NIMHZMIRZFDLNO-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CC[N@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715733282	712531287	/nfs/dbraw/zinc/53/12/87/712531287.db2.gz	OSXRUGSCIDHRCY-UHFFFAOYSA-N	0	1	201.222	0.122	20	30		BCEDMN
C=CCCC[N@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715764849	712532128	/nfs/dbraw/zinc/53/21/28/712532128.db2.gz	XUASKJATZARRTP-UHFFFAOYSA-N	0	1	229.276	0.902	20	30		BCEDMN
Cc1c(F)cccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834483863	712598470	/nfs/dbraw/zinc/59/84/70/712598470.db2.gz	ARUVDVKSWJWUEG-CABZTGNLSA-N	0	1	247.273	0.976	20	30		BCEDMN
Cc1c(F)cccc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834483864	712598566	/nfs/dbraw/zinc/59/85/66/712598566.db2.gz	ARUVDVKSWJWUEG-JOYOIKCWSA-N	0	1	247.273	0.976	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(F)nc1	ZINC000717680337	712664256	/nfs/dbraw/zinc/66/42/56/712664256.db2.gz	WNNHBGCTOXCJFY-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccncc1F	ZINC000717679677	712664249	/nfs/dbraw/zinc/66/42/49/712664249.db2.gz	NPNKPAXSIZMTMC-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1ccc(F)cc1O	ZINC000717732351	712667658	/nfs/dbraw/zinc/66/76/58/712667658.db2.gz	GHSIQPKWELTVOE-VIFPVBQESA-N	0	1	237.230	0.645	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1ccc2[nH]nnc2c1	ZINC000717777007	712675490	/nfs/dbraw/zinc/67/54/90/712675490.db2.gz	WDOXJXYSBYDSSG-VIFPVBQESA-N	0	1	244.254	0.072	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(COC)o1	ZINC000717832937	712683473	/nfs/dbraw/zinc/68/34/73/712683473.db2.gz	ZRQAPZIRWFDCCM-SNVBAGLBSA-N	0	1	223.272	0.900	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccc(COC)o1	ZINC000717832935	712683706	/nfs/dbraw/zinc/68/37/06/712683706.db2.gz	ZRQAPZIRWFDCCM-JTQLQIEISA-N	0	1	223.272	0.900	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cccc(OC)n1	ZINC000717840303	712686721	/nfs/dbraw/zinc/68/67/21/712686721.db2.gz	FZSZSHBGNBUQTA-LBPRGKRZSA-N	0	1	234.299	0.954	20	30		BCEDMN
C#C[C@H](CO)NC(=O)c1[nH]nc2c1CCCC2	ZINC000718143504	712747978	/nfs/dbraw/zinc/74/79/78/712747978.db2.gz	KTWAZCOMWYJGIY-MRVPVSSYSA-N	0	1	233.271	0.012	20	30		BCEDMN
CC(C)(C#N)C(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000720445537	712843785	/nfs/dbraw/zinc/84/37/85/712843785.db2.gz	RNWKGGPJFCTCFX-UHFFFAOYSA-N	0	1	248.290	0.455	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)C1CC1	ZINC001037984813	712895400	/nfs/dbraw/zinc/89/54/00/712895400.db2.gz	LSEASSQPLSSHMA-LLVKDONJSA-N	0	1	206.289	0.610	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1nccnc1C#N	ZINC001164630592	719153901	/nfs/dbraw/zinc/15/39/01/719153901.db2.gz	JKZCOUTVCKKMGY-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]21	ZINC000153164412	719367284	/nfs/dbraw/zinc/36/72/84/719367284.db2.gz	XFLAXDHCXIBSJS-RYUDHWBXSA-N	0	1	244.298	0.472	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1	ZINC000160769280	538906097	/nfs/dbraw/zinc/90/60/97/538906097.db2.gz	UTIHAJVXEQEOQV-KOLCDFICSA-N	0	1	226.320	0.380	20	30		BCEDMN
C[N@H+]1CCCC[C@H]1C(=O)N1CC(C)(C#N)C1	ZINC000602143910	349451821	/nfs/dbraw/zinc/45/18/21/349451821.db2.gz	WBNSWXWNANUVNQ-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CC(C)(C#N)C1	ZINC000602143910	349451823	/nfs/dbraw/zinc/45/18/23/349451823.db2.gz	WBNSWXWNANUVNQ-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@H]1CN(CCC(=O)N(C)CCC#N)CCO1	ZINC000034673971	136212159	/nfs/dbraw/zinc/21/21/59/136212159.db2.gz	IJGPEDDIKRLIKY-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1C2CCC1CC2	ZINC000602148835	349454202	/nfs/dbraw/zinc/45/42/02/349454202.db2.gz	BZIWAEPDBMJHRN-UHFFFAOYSA-N	0	1	237.303	0.625	20	30		BCEDMN
CCN(C(=O)CCCc1nn[nH]n1)[C@H](C)C#N	ZINC000602185784	349469231	/nfs/dbraw/zinc/46/92/31/349469231.db2.gz	BMWVIKFPWXOANS-MRVPVSSYSA-N	0	1	236.279	0.283	20	30		BCEDMN
N#CCCN1CCN(C(=O)c2ccn[nH]2)CC1	ZINC000602206738	349475170	/nfs/dbraw/zinc/47/51/70/349475170.db2.gz	PAZNRSMQQAGWBM-UHFFFAOYSA-N	0	1	233.275	0.081	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCO[C@@](C)(COC)C1	ZINC000626175983	346814876	/nfs/dbraw/zinc/81/48/76/346814876.db2.gz	CZOXCWJZNUWEQU-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
C#C[C@@H](C)N[C@H](Cc1ccccc1)C(N)=O	ZINC000274776260	398164629	/nfs/dbraw/zinc/16/46/29/398164629.db2.gz	KPLKNMSIOWADRV-ZYHUDNBSSA-N	0	1	216.284	0.694	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1CC(C)C1	ZINC000576409378	365590088	/nfs/dbraw/zinc/59/00/88/365590088.db2.gz	RIQBAKCDQAQBKL-JTQLQIEISA-N	0	1	209.293	0.699	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CCC[C@H]1C	ZINC000076116284	398226594	/nfs/dbraw/zinc/22/65/94/398226594.db2.gz	ORFKBQJGFIANBU-SECBINFHSA-N	0	1	225.292	0.483	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NCCN1CC[C@H](O)C1	ZINC000629916814	361773815	/nfs/dbraw/zinc/77/38/15/361773815.db2.gz	WROWAOJCBWSZRL-WCQYABFASA-N	0	1	240.347	0.772	20	30		BCEDMN
C[C@H](NC(=O)NCC1(C#N)CC1)c1nnc[nH]1	ZINC000576535028	365622372	/nfs/dbraw/zinc/62/23/72/365622372.db2.gz	FHUWTMVCRQZHMV-ZETCQYMHSA-N	0	1	234.263	0.469	20	30		BCEDMN
C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@@H](C)N1	ZINC000602433040	349536985	/nfs/dbraw/zinc/53/69/85/349536985.db2.gz	KNZVNZFWSLDNJV-NXEZZACHSA-N	0	1	221.304	0.889	20	30		BCEDMN
C[C@@H](NCCC#N)[C@@H](C)N1CCOCC1	ZINC000576627749	365642468	/nfs/dbraw/zinc/64/24/68/365642468.db2.gz	CTOIWAPKIKWJFC-GHMZBOCLSA-N	0	1	211.309	0.599	20	30		BCEDMN
CN(CCC#N)C[C@@H](O)CNCc1ccccn1	ZINC000576748161	365671728	/nfs/dbraw/zinc/67/17/28/365671728.db2.gz	GYLWYALSISLFLP-ZDUSSCGKSA-N	0	1	248.330	0.378	20	30		BCEDMN
CCC[C@H](CN1CCN(CC#N)CC1)OC	ZINC000602455973	349553529	/nfs/dbraw/zinc/55/35/29/349553529.db2.gz	VCHSMPZGGSHYRU-GFCCVEGCSA-N	0	1	225.336	0.943	20	30		BCEDMN
OCC(CO)NCC#Cc1cccc(Cl)c1	ZINC000518211448	398285394	/nfs/dbraw/zinc/28/53/94/398285394.db2.gz	GXFVAPJMPJPUFR-UHFFFAOYSA-N	0	1	239.702	0.634	20	30		BCEDMN
Cc1nc(C(=O)Nc2nn[nH]n2)ccc1C#N	ZINC000342859434	342876921	/nfs/dbraw/zinc/87/69/21/342876921.db2.gz	QLQISJKYXPIBRS-UHFFFAOYSA-N	0	1	229.203	0.027	20	30		BCEDMN
CC(C)(C#N)CN[C@@H]1CCCNC(=O)C1	ZINC000602607955	349631208	/nfs/dbraw/zinc/63/12/08/349631208.db2.gz	NTJJLYKVSODMFO-SECBINFHSA-N	0	1	209.293	0.794	20	30		BCEDMN
CO[C@H](CNC[C@H](C)C#N)[C@@H]1CCOC1	ZINC000602608928	349632635	/nfs/dbraw/zinc/63/26/35/349632635.db2.gz	ZUNFFLUDOVYPED-GMTAPVOTSA-N	0	1	212.293	0.787	20	30		BCEDMN
CO[C@H](CNC[C@@H](C)C#N)[C@@H]1CCOC1	ZINC000602608929	349632746	/nfs/dbraw/zinc/63/27/46/349632746.db2.gz	ZUNFFLUDOVYPED-HBNTYKKESA-N	0	1	212.293	0.787	20	30		BCEDMN
C[C@@H]1CN(c2cc(C#N)ccn2)CCN1CCO	ZINC000343040333	342906637	/nfs/dbraw/zinc/90/66/37/342906637.db2.gz	FUMQAKHWGPNCQY-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
CO[C@@H](CNCC1(C#N)CC1)[C@H]1CCOC1	ZINC000602643754	349655971	/nfs/dbraw/zinc/65/59/71/349655971.db2.gz	STALTSDGBHIBAR-QWRGUYRKSA-N	0	1	224.304	0.931	20	30		BCEDMN
CO[C@H](CNCC1(C#N)CC1)[C@@H]1CCOC1	ZINC000602643752	349656012	/nfs/dbraw/zinc/65/60/12/349656012.db2.gz	STALTSDGBHIBAR-GHMZBOCLSA-N	0	1	224.304	0.931	20	30		BCEDMN
C[C@H](Cn1cncn1)NCC1(C#N)CCC1	ZINC000602696102	349692270	/nfs/dbraw/zinc/69/22/70/349692270.db2.gz	CXWAMJIEWWKDBB-SNVBAGLBSA-N	0	1	219.292	0.950	20	30		BCEDMN
C=C(C)CC[N@H+]1CCN(CCO)[C@H](C)C1	ZINC000351830940	136256288	/nfs/dbraw/zinc/25/62/88/136256288.db2.gz	APLQWJDBDOQBOM-GFCCVEGCSA-N	0	1	212.337	0.951	20	30		BCEDMN
Cc1cc(C#N)cnc1C(=O)NCc1cnc[nH]1	ZINC000590267973	346905172	/nfs/dbraw/zinc/90/51/72/346905172.db2.gz	PBGBBIZKTGIBTD-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(C(=O)OCC)[nH]1	ZINC000602720265	349712519	/nfs/dbraw/zinc/71/25/19/349712519.db2.gz	ABMPZQWCSXDXIC-SECBINFHSA-N	0	1	238.287	0.828	20	30		BCEDMN
C[C@@H]1CN(CC2(CC#N)CC2)CCN1CCO	ZINC000602810606	349755068	/nfs/dbraw/zinc/75/50/68/349755068.db2.gz	HCHULCWWEZIKKT-GFCCVEGCSA-N	0	1	237.347	0.679	20	30		BCEDMN
N#CCC1(CN2CCN3CCOC[C@@H]3C2)CC1	ZINC000602811796	349756088	/nfs/dbraw/zinc/75/60/88/349756088.db2.gz	YGSRMCIFFIECJW-LBPRGKRZSA-N	0	1	235.331	0.697	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)Cn1cccn1	ZINC000602861945	349773499	/nfs/dbraw/zinc/77/34/99/349773499.db2.gz	JTQPQIVOWFYRFH-ZJUUUORDSA-N	0	1	208.265	0.136	20	30		BCEDMN
C[C@H](CC#N)NCCCS(=O)(=O)N(C)C	ZINC000602860184	349771771	/nfs/dbraw/zinc/77/17/71/349771771.db2.gz	BUQKPIFEOPMSOV-SECBINFHSA-N	0	1	233.337	0.160	20	30		BCEDMN
Cc1nc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)n[nH]1	ZINC000602849206	349784885	/nfs/dbraw/zinc/78/48/85/349784885.db2.gz	JVBIRIXHIFOWGI-NXEZZACHSA-N	0	1	248.334	0.531	20	30		BCEDMN
C[C@@H]1CN(CCn2cccn2)C[C@H](C)N1CC#N	ZINC000602850701	349785696	/nfs/dbraw/zinc/78/56/96/349785696.db2.gz	RRLRBIXBEDYHHU-BETUJISGSA-N	0	1	247.346	0.801	20	30		BCEDMN
COC(=O)C1(NC(=O)C(C)C#N)CCCC1	ZINC000357832479	136266694	/nfs/dbraw/zinc/26/66/94/136266694.db2.gz	QBZLVODTJNTLTM-MRVPVSSYSA-N	0	1	224.260	0.748	20	30		BCEDMN
C=CCNC(=O)[C@H](C)n1cc(CNCC)nn1	ZINC000640883125	362069255	/nfs/dbraw/zinc/06/92/55/362069255.db2.gz	BDZSCHXJYXYWDP-VIFPVBQESA-N	0	1	237.307	0.251	20	30		BCEDMN
C=CCN(CC=C)C(=O)Cn1cc(CNC)nn1	ZINC000640791673	362040702	/nfs/dbraw/zinc/04/07/02/362040702.db2.gz	DQFKTIFJJBVPRH-UHFFFAOYSA-N	0	1	249.318	0.198	20	30		BCEDMN
C=C(C)Cn1cc(CN2CCN(C)CC2)nn1	ZINC000640803596	362051336	/nfs/dbraw/zinc/05/13/36/362051336.db2.gz	MKNLURULKRGPQZ-UHFFFAOYSA-N	0	1	235.335	0.602	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)COC[C@H]1CCCO1	ZINC000602865123	349796803	/nfs/dbraw/zinc/79/68/03/349796803.db2.gz	TXHLMVJZSNZNRA-GRYCIOLGSA-N	0	1	242.319	0.435	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)COC[C@@H]1CCCO1	ZINC000602865131	349797231	/nfs/dbraw/zinc/79/72/31/349797231.db2.gz	TXHLMVJZSNZNRA-WOPDTQHZSA-N	0	1	242.319	0.435	20	30		BCEDMN
C[C@H](NC(=O)CC1(C#N)CC1)c1nnc[nH]1	ZINC000590286445	346927397	/nfs/dbraw/zinc/92/73/97/346927397.db2.gz	XPKZBHQAXNZUER-ZETCQYMHSA-N	0	1	219.248	0.676	20	30		BCEDMN
C[C@H](CCC#N)N1CCN(Cc2nnc[nH]2)CC1	ZINC000602867333	349799163	/nfs/dbraw/zinc/79/91/63/349799163.db2.gz	RZSNXIRFAFUBHV-LLVKDONJSA-N	0	1	248.334	0.615	20	30		BCEDMN
CC1CC(C#N)(C(=O)NCCCc2nc[nH]n2)C1	ZINC000125811617	343167899	/nfs/dbraw/zinc/16/78/99/343167899.db2.gz	RLJSHWTYBSBBOG-UHFFFAOYSA-N	0	1	247.302	0.793	20	30		BCEDMN
Cc1nc([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1	ZINC000343340653	343239603	/nfs/dbraw/zinc/23/96/03/343239603.db2.gz	HKUVLFZZTSLWCJ-ZCFIWIBFSA-N	0	1	244.258	0.804	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)CN(C)C)C1CC1	ZINC000339014285	136279666	/nfs/dbraw/zinc/27/96/66/136279666.db2.gz	PIEVZVNLKKNWAW-VIFPVBQESA-N	0	1	209.293	0.699	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2ccc(C#N)[nH]2)n1	ZINC000343667429	343265099	/nfs/dbraw/zinc/26/50/99/343265099.db2.gz	MFPSITQIQSFVJW-UHFFFAOYSA-N	0	1	244.258	0.285	20	30		BCEDMN
Cn1cc([C@@H](CO)NCCC(C)(C)C#N)cn1	ZINC000275182563	136285428	/nfs/dbraw/zinc/28/54/28/136285428.db2.gz	NLNRZLFFAAMAGO-LLVKDONJSA-N	0	1	236.319	0.983	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN(C)CC[C@H]1C	ZINC000335692197	136325723	/nfs/dbraw/zinc/32/57/23/136325723.db2.gz	CXTBIDRQCWMBKH-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
N#Cc1nccc(N[C@@H]2CC[N@H+](C3CC3)C2)n1	ZINC000310281891	343408951	/nfs/dbraw/zinc/40/89/51/343408951.db2.gz	PRZLEBFOJDDMJW-SECBINFHSA-N	0	1	229.287	0.997	20	30		BCEDMN
CCC[C@@H](NC(=O)CC1(C#N)CC1)c1nn[nH]n1	ZINC000590294992	346939127	/nfs/dbraw/zinc/93/91/27/346939127.db2.gz	BZIGFRKCIWWITE-MRVPVSSYSA-N	0	1	248.290	0.851	20	30		BCEDMN
N#CCC1(O)CN(C(=O)[C@H]2CCCN2C2CC2)C1	ZINC000329314728	136364788	/nfs/dbraw/zinc/36/47/88/136364788.db2.gz	CMHIIXVUNUQQEK-LLVKDONJSA-N	0	1	249.314	0.100	20	30		BCEDMN
N#CCCOCCSc1nc(N)cc(N)n1	ZINC000292704100	136375850	/nfs/dbraw/zinc/37/58/50/136375850.db2.gz	QVIFQEQWZIBZGM-UHFFFAOYSA-N	0	1	239.304	0.663	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N(C)CC1CN(C)C1	ZINC000618190897	343559261	/nfs/dbraw/zinc/55/92/61/343559261.db2.gz	KZDVJZGNCJUAIA-LBPRGKRZSA-N	0	1	226.320	0.334	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@H](C)[C@H](O)C1	ZINC000388232397	537788708	/nfs/dbraw/zinc/78/87/08/537788708.db2.gz	YKLHWABBKIAEIT-NWDGAFQWSA-N	0	1	240.347	0.724	20	30		BCEDMN
N#Cc1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)cn1	ZINC000071178037	343625360	/nfs/dbraw/zinc/62/53/60/343625360.db2.gz	YRJCSCMAEPKBGC-SECBINFHSA-N	0	1	229.287	0.997	20	30		BCEDMN
CN1CCN(Cc2ccc(C#N)cn2)CC1	ZINC000261343406	349827976	/nfs/dbraw/zinc/82/79/76/349827976.db2.gz	JVBSIZPNJZFZJM-UHFFFAOYSA-N	0	1	216.288	0.701	20	30		BCEDMN
C=CCSCCNS(=O)(=O)c1ncc[nH]1	ZINC000379995691	343664245	/nfs/dbraw/zinc/66/42/45/343664245.db2.gz	IGDOCXVFRPPSIO-UHFFFAOYSA-N	0	1	247.345	0.607	20	30		BCEDMN
N#CCCOCC[N@@H+]1CCC[C@@H](O)CC1	ZINC000339786976	343702970	/nfs/dbraw/zinc/70/29/70/343702970.db2.gz	JDHXMDYNIFRWJA-LLVKDONJSA-N	0	1	212.293	0.763	20	30		BCEDMN
CN(C[C@H](O)Cn1cccn1)[C@H]1CCC[C@H]1C#N	ZINC000602975993	349839894	/nfs/dbraw/zinc/83/98/94/349839894.db2.gz	JNDGSFLCPQWPQF-AVGNSLFASA-N	0	1	248.330	0.868	20	30		BCEDMN
C[C@@H]1C[C@H](O)CN1Cc1ccc(C#N)cn1	ZINC000576644394	343755279	/nfs/dbraw/zinc/75/52/79/343755279.db2.gz	DJQBWDOSRCUCII-SKDRFNHKSA-N	0	1	217.272	0.908	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCN(CCC#N)CC1	ZINC000603015422	349857143	/nfs/dbraw/zinc/85/71/43/349857143.db2.gz	BJTFEMOKCBEVMU-LBPRGKRZSA-N	0	1	223.320	0.455	20	30		BCEDMN
CN(CCCSCC#N)CC(=O)NC1CC1	ZINC000173863316	529896551	/nfs/dbraw/zinc/89/65/51/529896551.db2.gz	NLWZMTXPVVCJSW-UHFFFAOYSA-N	0	1	241.360	0.844	20	30		BCEDMN
CC(C)N(CCC#N)S(=O)(=O)c1ncc[nH]1	ZINC000309271268	347014056	/nfs/dbraw/zinc/01/40/56/347014056.db2.gz	RDVSMHZRRQFCBK-UHFFFAOYSA-N	0	1	242.304	0.722	20	30		BCEDMN
N#CCCN[C@H]1CCC(=O)NC12CCC2	ZINC000570626933	323065123	/nfs/dbraw/zinc/06/51/23/323065123.db2.gz	NYERHDWMEWILPG-VIFPVBQESA-N	0	1	207.277	0.691	20	30		BCEDMN
C=CCC[C@H](O)Cn1cc(CNC)nn1	ZINC000641211998	362272937	/nfs/dbraw/zinc/27/29/37/362272937.db2.gz	DTIDJZWIEWJIPV-JTQLQIEISA-N	0	1	210.281	0.325	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000408000185	343957889	/nfs/dbraw/zinc/95/78/89/343957889.db2.gz	ZUTIJPWHGZOYRV-IUCAKERBSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000408000185	343957890	/nfs/dbraw/zinc/95/78/90/343957890.db2.gz	ZUTIJPWHGZOYRV-IUCAKERBSA-N	0	1	247.302	0.670	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc([C@H](C)NC)nn1	ZINC000603238389	349904319	/nfs/dbraw/zinc/90/43/19/349904319.db2.gz	WROUXNYKVVEPAU-IONNQARKSA-N	0	1	224.264	0.459	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)[C@H]1CCCCN(C)C1=O	ZINC000634743345	344161329	/nfs/dbraw/zinc/16/13/29/344161329.db2.gz	QTXIGZVNWWGRRN-RYUDHWBXSA-N	0	1	240.347	0.866	20	30		BCEDMN
N#CC1(C(=O)NCCCc2nc[nH]n2)CCC1	ZINC000091437360	344280970	/nfs/dbraw/zinc/28/09/70/344280970.db2.gz	FXEXPQFTDSANSF-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
COC(=O)COCCNC[C@@H](C#N)CCC#N	ZINC000600613990	344336627	/nfs/dbraw/zinc/33/66/27/344336627.db2.gz	OTOMSAYFTPOEFK-SNVBAGLBSA-N	0	1	239.275	0.209	20	30		BCEDMN
C[C@@H](Nc1cc(C#N)ncn1)c1nnc[nH]1	ZINC000380580587	344422370	/nfs/dbraw/zinc/42/23/70/344422370.db2.gz	PTGBZAWNMSODRD-ZCFIWIBFSA-N	0	1	215.220	0.639	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)CN(C)C1CCC1	ZINC000600817851	344379749	/nfs/dbraw/zinc/37/97/49/344379749.db2.gz	YPHWFWRQRWRRTA-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
C[N@@H+](CC(=O)N1CC(CC#N)C1)C1CCC1	ZINC000600830071	344381571	/nfs/dbraw/zinc/38/15/71/344381571.db2.gz	XELOGGZCDHOAEN-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
N#Cc1ccc(CNC[C@H]2COCCO2)o1	ZINC000135482331	344459270	/nfs/dbraw/zinc/45/92/70/344459270.db2.gz	JGSODMILFWOTCA-NSHDSACASA-N	0	1	222.244	0.656	20	30		BCEDMN
CC[N@@H+](CCOCCO)Cc1ccnc(C#N)c1	ZINC000381018493	344469989	/nfs/dbraw/zinc/46/99/89/344469989.db2.gz	WDMPLFFFCFTZJM-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
CCN(CCOCCO)Cc1ccnc(C#N)c1	ZINC000381018493	344469992	/nfs/dbraw/zinc/46/99/92/344469992.db2.gz	WDMPLFFFCFTZJM-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
N#Cc1ccc(CN[C@@H]2CCC(=O)NC2)o1	ZINC000135484912	344473590	/nfs/dbraw/zinc/47/35/90/344473590.db2.gz	NKOAACJKPIRWQF-MRVPVSSYSA-N	0	1	219.244	0.519	20	30		BCEDMN
CC1(C)CN(C(=O)c2ccnc(C#N)c2)CCN1	ZINC000408313424	344487074	/nfs/dbraw/zinc/48/70/74/344487074.db2.gz	IWYTUFMJSBOQCM-UHFFFAOYSA-N	0	1	244.298	0.777	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000577498590	344533479	/nfs/dbraw/zinc/53/34/79/344533479.db2.gz	AACOHRLOPAUBGB-VHSXEESVSA-N	0	1	213.277	0.863	20	30		BCEDMN
C[N@H+]1CCC[C@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000259145789	344545284	/nfs/dbraw/zinc/54/52/84/344545284.db2.gz	UVTBBGWMQBZPNC-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000259145789	344545287	/nfs/dbraw/zinc/54/52/87/344545287.db2.gz	UVTBBGWMQBZPNC-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CCCN(CC(=O)OC)C(=O)C(C)C#N	ZINC000044827229	344552200	/nfs/dbraw/zinc/55/22/00/344552200.db2.gz	SLLGNTAYYBEEFK-MRVPVSSYSA-N	0	1	212.249	0.558	20	30		BCEDMN
C#CCCN1CCO[C@@]2(CCCOC2)C1	ZINC000367531072	344670413	/nfs/dbraw/zinc/67/04/13/344670413.db2.gz	LOBAPIOYHKTCJP-LBPRGKRZSA-N	0	1	209.289	0.891	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)NCCCC#N	ZINC000260061760	344705131	/nfs/dbraw/zinc/70/51/31/344705131.db2.gz	PMYXAHZGUIPUCD-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCOC	ZINC000077408840	344823544	/nfs/dbraw/zinc/82/35/44/344823544.db2.gz	DBNAAYOCPRICMF-SECBINFHSA-N	0	1	200.282	0.255	20	30		BCEDMN
CCn1nc2c(cc1=O)CN(CCCC#N)CC2	ZINC000078616846	344888930	/nfs/dbraw/zinc/88/89/30/344888930.db2.gz	LUGQVVSRXOMMPN-UHFFFAOYSA-N	0	1	246.314	0.925	20	30		BCEDMN
C#CCOc1ccc(C(=O)N2CCNCC2)cc1	ZINC000237880848	344926272	/nfs/dbraw/zinc/92/62/72/344926272.db2.gz	MBQIHTBEIWGSAY-UHFFFAOYSA-N	0	1	244.294	0.744	20	30		BCEDMN
C[C@H](C#N)NC(=O)[C@H]1CCCc2[nH]cnc21	ZINC000408275009	345014480	/nfs/dbraw/zinc/01/44/80/345014480.db2.gz	RRFQXVLORRHBPE-SFYZADRCSA-N	0	1	218.260	0.858	20	30		BCEDMN
C=CCC[C@H](O)CN1CCOC[C@@H]1C[C@@H](C)O	ZINC000248633189	345438151	/nfs/dbraw/zinc/43/81/51/345438151.db2.gz	SAKRWOMKZLNADX-AGIUHOORSA-N	0	1	243.347	0.785	20	30		BCEDMN
CNC(=O)CCN(CCC#N)CC1CC1	ZINC000081514696	345482427	/nfs/dbraw/zinc/48/24/27/345482427.db2.gz	OASXBWLSRPOSHO-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C=CCCC[C@H](C)N1CCN(C(=O)CO)CC1	ZINC000089267292	345553111	/nfs/dbraw/zinc/55/31/11/345553111.db2.gz	IKGAXNYGHXSLQK-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CC1CCN(C(=O)CCCc2nn[nH]n2)CC1	ZINC000635549067	345599371	/nfs/dbraw/zinc/59/93/71/345599371.db2.gz	ZJCKIABZJVXWFH-UHFFFAOYSA-N	0	1	249.318	0.947	20	30		BCEDMN
C[C@@H](O)CN(C)Cc1ccnc(C#N)c1	ZINC000082669203	345664644	/nfs/dbraw/zinc/66/46/44/345664644.db2.gz	UUSWCDWVUNVMOR-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C[C@H](O)CN(C)Cc1ccnc(C#N)c1	ZINC000082669202	345664728	/nfs/dbraw/zinc/66/47/28/345664728.db2.gz	UUSWCDWVUNVMOR-VIFPVBQESA-N	0	1	205.261	0.766	20	30		BCEDMN
C#CCOc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000093483746	345673414	/nfs/dbraw/zinc/67/34/14/345673414.db2.gz	PEWACEBFBQZPSO-OKILXGFUSA-N	0	1	247.294	0.236	20	30		BCEDMN
N#Cc1cccc(CN2CCC(O)(CO)CC2)c1	ZINC000313648563	345716302	/nfs/dbraw/zinc/71/63/02/345716302.db2.gz	XSIOFWRKQGVHRY-UHFFFAOYSA-N	0	1	246.310	0.877	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CCc1nn[nH]n1	ZINC000600999486	345938304	/nfs/dbraw/zinc/93/83/04/345938304.db2.gz	CNIGOPNPQXXFKX-MRVPVSSYSA-N	0	1	236.279	0.140	20	30		BCEDMN
C=C(C)CN(C)C(=O)CCCc1nn[nH]n1	ZINC000635774683	346061244	/nfs/dbraw/zinc/06/12/44/346061244.db2.gz	LWTLHIMTKCBFKU-UHFFFAOYSA-N	0	1	223.280	0.557	20	30		BCEDMN
O=C(NCC#CCO)[C@@H]1CCN1C1CCCC1	ZINC000635900612	346106548	/nfs/dbraw/zinc/10/65/48/346106548.db2.gz	OHXSTAOZBVMZOU-LBPRGKRZSA-N	0	1	236.315	0.115	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)CCCc1nn[nH]n1	ZINC000635891647	346103395	/nfs/dbraw/zinc/10/33/95/346103395.db2.gz	NJYCSVQYJJGJLJ-SECBINFHSA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635796357	346065533	/nfs/dbraw/zinc/06/55/33/346065533.db2.gz	LJPBTGDIIJPADC-OPRDCNLKSA-N	0	1	235.287	0.566	20	30		BCEDMN
C[C@@H]1NC(=O)CC[C@H]1NCC1(C#N)CC1	ZINC000332011687	346170445	/nfs/dbraw/zinc/17/04/45/346170445.db2.gz	TXSYGUNZFNKQEL-DTWKUNHWSA-N	0	1	207.277	0.547	20	30		BCEDMN
C[C@H](O)CN(CC#Cc1ccccc1)CCO	ZINC000289381084	346258675	/nfs/dbraw/zinc/25/86/75/346258675.db2.gz	CIADREMGNMUAOE-ZDUSSCGKSA-N	0	1	233.311	0.713	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnn2ccccc12	ZINC000289751015	346332080	/nfs/dbraw/zinc/33/20/80/346332080.db2.gz	HKFNSACETFMTNT-NSHDSACASA-N	0	1	217.272	0.971	20	30		BCEDMN
C=C[C@@H](O)C(=O)N(C)Cc1cn[nH]c1C	ZINC000636071026	346312047	/nfs/dbraw/zinc/31/20/47/346312047.db2.gz	YDVMFSVBQNZEGX-SECBINFHSA-N	0	1	209.249	0.223	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000636111604	346321600	/nfs/dbraw/zinc/32/16/00/346321600.db2.gz	NFZRLAFSPYWNOC-NEPJUHHUSA-N	0	1	238.331	0.361	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000636112213	346323282	/nfs/dbraw/zinc/32/32/82/346323282.db2.gz	PSBHJZZFCZBNPP-HBNTYKKESA-N	0	1	247.298	0.404	20	30		BCEDMN
CC#CC[C@H](CO)NCc1conc1C	ZINC000641768028	362699568	/nfs/dbraw/zinc/69/95/68/362699568.db2.gz	URGKEUYFSXBMPG-LLVKDONJSA-N	0	1	208.261	0.847	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnnn1CC	ZINC000641768340	362705253	/nfs/dbraw/zinc/70/52/53/362705253.db2.gz	ZUSHHHBCHOTINH-JTQLQIEISA-N	0	1	222.292	0.162	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnnn1CC	ZINC000641768341	362705867	/nfs/dbraw/zinc/70/58/67/362705867.db2.gz	ZUSHHHBCHOTINH-SNVBAGLBSA-N	0	1	222.292	0.162	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccnn1C	ZINC000641768721	362706876	/nfs/dbraw/zinc/70/68/76/362706876.db2.gz	GPMOISYASGODOU-JTQLQIEISA-N	0	1	207.277	0.284	20	30		BCEDMN
N#Cc1ccncc1C(=O)NCc1c[nH]nn1	ZINC000589840736	346743575	/nfs/dbraw/zinc/74/35/75/346743575.db2.gz	YUNXSQJVLLHFGG-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
CC[C@@H](CC#N)N[C@@H]1CC[N@@H+](CCOC)C1	ZINC000336744391	347142073	/nfs/dbraw/zinc/14/20/73/347142073.db2.gz	UVGQNGCMVXFGMJ-NWDGAFQWSA-N	0	1	225.336	0.989	20	30		BCEDMN
CC1CC(C#N)(C(=O)N2CC(N(C)C)C2)C1	ZINC000382114115	347190630	/nfs/dbraw/zinc/19/06/30/347190630.db2.gz	ADIGQUCKSNJTFU-UHFFFAOYSA-N	0	1	221.304	0.699	20	30		BCEDMN
Cc1ccc(CNCCn2cnc(C#N)n2)nc1	ZINC000353038088	187372452	/nfs/dbraw/zinc/37/24/52/187372452.db2.gz	LWPINLLJHYZLEM-UHFFFAOYSA-N	0	1	242.286	0.643	20	30		BCEDMN
C=CCNC(=O)NCCN1CCCOCC1	ZINC000187816267	347265781	/nfs/dbraw/zinc/26/57/81/347265781.db2.gz	REZNMOBAKYKCSR-UHFFFAOYSA-N	0	1	227.308	0.194	20	30		BCEDMN
C[C@H](C#N)CN(C(=O)CCc1nn[nH]n1)C1CC1	ZINC000601368127	347272436	/nfs/dbraw/zinc/27/24/36/347272436.db2.gz	LBVXBGCWMVCNPM-MRVPVSSYSA-N	0	1	248.290	0.283	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)CCc1c[nH]nn1	ZINC000601444931	347363754	/nfs/dbraw/zinc/36/37/54/347363754.db2.gz	LHXFYTDYVVYLAT-MRVPVSSYSA-N	0	1	221.264	0.546	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)CCc1cnn[nH]1	ZINC000601444931	347363759	/nfs/dbraw/zinc/36/37/59/347363759.db2.gz	LHXFYTDYVVYLAT-MRVPVSSYSA-N	0	1	221.264	0.546	20	30		BCEDMN
C#CCN1C[C@H](OC)C[C@H]1CC(=O)OCC	ZINC000364327066	347374337	/nfs/dbraw/zinc/37/43/37/347374337.db2.gz	XKRQNYCIEVLUGS-WDEREUQCSA-N	0	1	225.288	0.662	20	30		BCEDMN
Cn1c(C#N)ccc1C(=O)N[C@H]1CCCN(C)C1	ZINC000590632000	347481339	/nfs/dbraw/zinc/48/13/39/347481339.db2.gz	PMOCSJKKQCWDBA-JTQLQIEISA-N	0	1	246.314	0.721	20	30		BCEDMN
CC(C)OC[C@H](O)CNCC(C)(C)C#N	ZINC000591759376	347691945	/nfs/dbraw/zinc/69/19/45/347691945.db2.gz	KQNNLLWEHHAFSL-SNVBAGLBSA-N	0	1	214.309	0.912	20	30		BCEDMN
CCOCC[C@@H](O)CNC[C@H](C)C#N	ZINC000591735053	347693935	/nfs/dbraw/zinc/69/39/35/347693935.db2.gz	YHJUYJGUMGHOON-NXEZZACHSA-N	0	1	200.282	0.523	20	30		BCEDMN
N#Cc1c2c(cnc1NCc1nn[nH]n1)CCC2	ZINC000591819918	347700609	/nfs/dbraw/zinc/70/06/09/347700609.db2.gz	WDICFCKMMRQGSE-UHFFFAOYSA-N	0	1	241.258	0.567	20	30		BCEDMN
CC(C)[C@@H](C#N)N1CCN(CC[C@@H](C)O)CC1	ZINC000591845735	347706552	/nfs/dbraw/zinc/70/65/52/347706552.db2.gz	SNOMPFRBYOVCHI-CHWSQXEVSA-N	0	1	239.363	0.923	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2cncc(C#N)n2)CC[N@@H+]1C	ZINC000591460071	347665635	/nfs/dbraw/zinc/66/56/35/347665635.db2.gz	LLJCFQCXBUOKHI-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1[C@H](C)N(c2cncc(C#N)n2)CCN1C	ZINC000591460071	347665638	/nfs/dbraw/zinc/66/56/38/347665638.db2.gz	LLJCFQCXBUOKHI-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@]1(C(N)=O)CCN(Cc2ccncc2C#N)C1	ZINC000592120919	347736451	/nfs/dbraw/zinc/73/64/51/347736451.db2.gz	KDEZAKXTOJFPHN-ZDUSSCGKSA-N	0	1	244.298	0.651	20	30		BCEDMN
Cn1cc(CCN2CC[C@](O)(CC#N)C2)cn1	ZINC000592150739	347741918	/nfs/dbraw/zinc/74/19/18/347741918.db2.gz	IFNPTYKAPCPKRI-GFCCVEGCSA-N	0	1	234.303	0.313	20	30		BCEDMN
Cc1nc([C@H](C)N2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000592155315	347745440	/nfs/dbraw/zinc/74/54/40/347745440.db2.gz	ZTUDZKFCIYVIRP-GZMMTYOYSA-N	0	1	235.291	0.525	20	30		BCEDMN
Cc1nc([C@@H](C)N2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000592155321	347745552	/nfs/dbraw/zinc/74/55/52/347745552.db2.gz	ZTUDZKFCIYVIRP-LDYMZIIASA-N	0	1	235.291	0.525	20	30		BCEDMN
CCc1cc(C(=O)N2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000592838945	347820752	/nfs/dbraw/zinc/82/07/52/347820752.db2.gz	MWAXJEFYKGJVKD-GFCCVEGCSA-N	0	1	248.286	0.463	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC000593098612	347856195	/nfs/dbraw/zinc/85/61/95/347856195.db2.gz	YEJMMSKXAWPJIR-VEABSNGSSA-N	0	1	229.345	0.519	20	30		BCEDMN
CC[C@H](C#N)C(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000593475882	347895544	/nfs/dbraw/zinc/89/55/44/347895544.db2.gz	OCKAPBRBKBPKQQ-MRVPVSSYSA-N	0	1	248.290	0.635	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](C)CS(C)(=O)=O	ZINC000577385674	365941552	/nfs/dbraw/zinc/94/15/52/365941552.db2.gz	MKBVVMMIHPCXHV-ZJUUUORDSA-N	0	1	232.349	0.949	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000593540587	347909411	/nfs/dbraw/zinc/90/94/11/347909411.db2.gz	CKFADOIZPPIGEQ-RKDXNWHRSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000593547069	347910004	/nfs/dbraw/zinc/91/00/04/347910004.db2.gz	RRWBDIKMVZACBS-BDAKNGLRSA-N	0	1	248.290	0.455	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC(C)(C)C#N)C1	ZINC000594342098	348036865	/nfs/dbraw/zinc/03/68/65/348036865.db2.gz	XVBQGTDGGPEMHM-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
N#CCC1CN(C[C@H](O)Cn2cccn2)C1	ZINC000594715939	348105609	/nfs/dbraw/zinc/10/56/09/348105609.db2.gz	DRUSEKSNYNJDTN-NSHDSACASA-N	0	1	220.276	0.089	20	30		BCEDMN
CC(C)COC[C@H](O)CN1CC(CC#N)C1	ZINC000594716789	348106278	/nfs/dbraw/zinc/10/62/78/348106278.db2.gz	WLROOQREXBDZMC-GFCCVEGCSA-N	0	1	226.320	0.865	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCCC2CCC2)c1=O	ZINC000594908390	348136709	/nfs/dbraw/zinc/13/67/09/348136709.db2.gz	KOTDGVFGMVTQSW-UHFFFAOYSA-N	0	1	233.271	0.989	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2CC=CC2)c1=O	ZINC000594908368	348137004	/nfs/dbraw/zinc/13/70/04/348137004.db2.gz	JKWCZGOIBBKCEZ-UHFFFAOYSA-N	0	1	217.228	0.374	20	30		BCEDMN
N#Cc1csc(CN[C@H]2CCNC2=O)c1	ZINC000594961790	348151497	/nfs/dbraw/zinc/15/14/97/348151497.db2.gz	IDRBZQKVQKSYHG-VIFPVBQESA-N	0	1	221.285	0.598	20	30		BCEDMN
C=CCCS(=O)(=O)NCCN(C)CC	ZINC000119969920	166290468	/nfs/dbraw/zinc/29/04/68/166290468.db2.gz	FJGZACKZSXYAPL-UHFFFAOYSA-N	0	1	220.338	0.434	20	30		BCEDMN
N#Cc1ccc(CN[C@H]2CCNC2=O)cc1F	ZINC000594964189	348160613	/nfs/dbraw/zinc/16/06/13/348160613.db2.gz	PTKQJUTYBNHWET-NSHDSACASA-N	0	1	233.246	0.675	20	30		BCEDMN
N#Cc1ccc(CCN2CCNC(=O)CC2)cc1	ZINC000595307165	348222590	/nfs/dbraw/zinc/22/25/90/348222590.db2.gz	HZOXMENJSNFNPB-UHFFFAOYSA-N	0	1	243.310	0.923	20	30		BCEDMN
C[C@]1(C#N)CCCN(C[C@@H]2CNC(=O)C2)C1	ZINC000595423655	348246415	/nfs/dbraw/zinc/24/64/15/348246415.db2.gz	GCWUALNKWKYHBA-CMPLNLGQSA-N	0	1	221.304	0.748	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)Cc1ccnc(C#N)c1	ZINC000595547901	348268518	/nfs/dbraw/zinc/26/85/18/348268518.db2.gz	UERBGSBGUOGJON-UHFFFAOYSA-N	0	1	245.242	0.674	20	30		BCEDMN
CCc1nc([C@@H](C)N2CC[C@@](O)(CC#N)C2)n[nH]1	ZINC000595560505	348281183	/nfs/dbraw/zinc/28/11/83/348281183.db2.gz	YTIPAMRSXYQWDI-SKDRFNHKSA-N	0	1	249.318	0.779	20	30		BCEDMN
N#CCNC(=O)CN1C[C@@H]2CCCC[C@@H]21	ZINC000595568947	348284605	/nfs/dbraw/zinc/28/46/05/348284605.db2.gz	YRWCLAABEJTVQM-UWVGGRQHSA-N	0	1	207.277	0.501	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1	ZINC000595621446	348291323	/nfs/dbraw/zinc/29/13/23/348291323.db2.gz	VARJGIKMWZYKJM-WDEREUQCSA-N	0	1	221.304	0.891	20	30		BCEDMN
C[C@H](CC#N)N(C)S(=O)(=O)c1ncc[nH]1	ZINC000309093779	349984225	/nfs/dbraw/zinc/98/42/25/349984225.db2.gz	BZARNYHSIOORPN-SSDOTTSWSA-N	0	1	228.277	0.332	20	30		BCEDMN
N#CC1(CN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000595728166	348329354	/nfs/dbraw/zinc/32/93/54/348329354.db2.gz	KLHIPQPJKYTJIF-WDEREUQCSA-N	0	1	233.315	0.891	20	30		BCEDMN
C[C@]1(C#N)CCN(CC[C@H]2CCNC2=O)C1	ZINC000595842220	348378280	/nfs/dbraw/zinc/37/82/80/348378280.db2.gz	QASIPDFVANSCOQ-ZYHUDNBSSA-N	0	1	221.304	0.748	20	30		BCEDMN
CCc1nc(CNc2c(C#N)cnn2C)n[nH]1	ZINC000596254383	348475665	/nfs/dbraw/zinc/47/56/65/348475665.db2.gz	CHYBRTAAJDFKKU-UHFFFAOYSA-N	0	1	231.263	0.584	20	30		BCEDMN
CN(CC1CN(C)C1)c1ncccc1C#N	ZINC000596455044	348541943	/nfs/dbraw/zinc/54/19/43/348541943.db2.gz	YYFMJFCQKRGNRC-UHFFFAOYSA-N	0	1	216.288	0.951	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NCCCc1nc[nH]n1	ZINC000596551894	348587076	/nfs/dbraw/zinc/58/70/76/348587076.db2.gz	SBFVGQCYGKSBSA-QMMMGPOBSA-N	0	1	236.279	0.196	20	30		BCEDMN
C=CCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000273491936	187399726	/nfs/dbraw/zinc/39/97/26/187399726.db2.gz	KRNLTEQHUZERQL-MRVPVSSYSA-N	0	1	223.280	0.728	20	30		BCEDMN
N#CC1(NC(=O)[C@@H]2CCCc3n[nH]nc32)CCC1	ZINC000596948467	348638926	/nfs/dbraw/zinc/63/89/26/348638926.db2.gz	IHNKODJLWAUZHX-MRVPVSSYSA-N	0	1	245.286	0.787	20	30		BCEDMN
Cc1nc(CC(=O)NC2(C#N)CCCCC2)n[nH]1	ZINC000597033194	348645510	/nfs/dbraw/zinc/64/55/10/348645510.db2.gz	FDHGPMFTKSRLGF-UHFFFAOYSA-N	0	1	247.302	0.998	20	30		BCEDMN
N#Cc1csc(CN2CCc3n[nH]nc3C2)n1	ZINC000597249486	348708105	/nfs/dbraw/zinc/70/81/05/348708105.db2.gz	KBGMOSPAKIMYEC-UHFFFAOYSA-N	0	1	246.299	0.691	20	30		BCEDMN
CC1(C#N)CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1	ZINC000597604982	348768421	/nfs/dbraw/zinc/76/84/21/348768421.db2.gz	SFEIEQPZRAGHQO-SECBINFHSA-N	0	1	244.298	0.887	20	30		BCEDMN
N#CC1(CNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1	ZINC000597608612	348768811	/nfs/dbraw/zinc/76/88/11/348768811.db2.gz	CXLOMFJAHHDMEQ-MRVPVSSYSA-N	0	1	245.286	0.645	20	30		BCEDMN
C[C@H](CN(C)C(=O)[C@@H](C)CC#N)c1nn[nH]n1	ZINC000597505153	348745361	/nfs/dbraw/zinc/74/53/61/348745361.db2.gz	NQMBQOCZIQNVGW-JGVFFNPUSA-N	0	1	236.279	0.311	20	30		BCEDMN
C[C@H](CC#N)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000597505154	348745822	/nfs/dbraw/zinc/74/58/22/348745822.db2.gz	NQMBQOCZIQNVGW-SFYZADRCSA-N	0	1	236.279	0.311	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@@H]1CCCN1C)C1CC1	ZINC000598128691	348894314	/nfs/dbraw/zinc/89/43/14/348894314.db2.gz	OGWNFDOBQVZSED-ONGXEEELSA-N	0	1	221.304	0.984	20	30		BCEDMN
N#Cc1cc(NCCN2CCC2)ncn1	ZINC000308860184	348908463	/nfs/dbraw/zinc/90/84/63/348908463.db2.gz	AYZVDDGDFOOAHV-UHFFFAOYSA-N	0	1	203.249	0.466	20	30		BCEDMN
CCOC(=O)C12CC(C1)CN2C(=O)C(C)C#N	ZINC000598445172	348975199	/nfs/dbraw/zinc/97/51/99/348975199.db2.gz	ARSBQTAXZJCLBA-YDNLMGDJSA-N	0	1	236.271	0.700	20	30		BCEDMN
CN(C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCNC1=O	ZINC000598598198	348992212	/nfs/dbraw/zinc/99/22/12/348992212.db2.gz	BLAFRXGSKQDEDO-VHSXEESVSA-N	0	1	239.319	0.107	20	30		BCEDMN
C=CCNC(=O)CN1CCC(n2cccn2)CC1	ZINC000365159733	348992614	/nfs/dbraw/zinc/99/26/14/348992614.db2.gz	LDEGBNOSQZPCCV-UHFFFAOYSA-N	0	1	248.330	0.822	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1C(N)=O	ZINC000598621885	349002905	/nfs/dbraw/zinc/00/29/05/349002905.db2.gz	YGSVRESMELNBIC-VHSXEESVSA-N	0	1	239.319	0.237	20	30		BCEDMN
CN(C)C1(C(=O)N2CC[C@@](C)(C#N)C2)CC1	ZINC000598420563	348958184	/nfs/dbraw/zinc/95/81/84/348958184.db2.gz	UOHZTSVKSDHNOD-NSHDSACASA-N	0	1	221.304	0.843	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1CC[C@](F)(CO)C1	ZINC000598614568	349000439	/nfs/dbraw/zinc/00/04/39/349000439.db2.gz	LPODDJNBYSSMJP-CMPLNLGQSA-N	0	1	244.310	0.693	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)c2cnc[nH]2)C1	ZINC000598413096	348968308	/nfs/dbraw/zinc/96/83/08/348968308.db2.gz	QXZYCRFKNPWZOV-JTQLQIEISA-N	0	1	204.233	0.785	20	30		BCEDMN
CCN(CC(N)=O)C[C@@H](O)CC(C)(C)C#N	ZINC000598615858	349001245	/nfs/dbraw/zinc/00/12/45/349001245.db2.gz	LTFLASXENDXPFE-VIFPVBQESA-N	0	1	227.308	0.094	20	30		BCEDMN
C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]1O	ZINC000598606435	349006846	/nfs/dbraw/zinc/00/68/46/349006846.db2.gz	KDKNKFRPIDZHSQ-UTUOFQBUSA-N	0	1	240.347	0.990	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CNCc1cc[nH]n1	ZINC000598714746	349025198	/nfs/dbraw/zinc/02/51/98/349025198.db2.gz	JZRDKEODPIGKTJ-SNVBAGLBSA-N	0	1	222.292	0.800	20	30		BCEDMN
CC[C@@H](CC#N)NCCc1cn(C)nn1	ZINC000599438794	349178035	/nfs/dbraw/zinc/17/80/35/349178035.db2.gz	XSLMFKSAVVDLKY-VIFPVBQESA-N	0	1	207.281	0.639	20	30		BCEDMN
C[C@@H](c1ccc(C#N)cc1)N1C[C@H](O)[C@@H](O)C1	ZINC000599532260	349210807	/nfs/dbraw/zinc/21/08/07/349210807.db2.gz	FYBOAZPWIFETFK-XDTLVQLUSA-N	0	1	232.283	0.657	20	30		BCEDMN
COC(=O)[C@@]1(OC)CCN(CCCC#N)C1	ZINC000599558837	349217369	/nfs/dbraw/zinc/21/73/69/349217369.db2.gz	OKYJFNVRXYRIGH-LLVKDONJSA-N	0	1	226.276	0.554	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1C(N)=O	ZINC000599601746	349232848	/nfs/dbraw/zinc/23/28/48/349232848.db2.gz	YGSVRESMELNBIC-ZJUUUORDSA-N	0	1	239.319	0.237	20	30		BCEDMN
C=C(C)C[C@H](NC(=O)CN(C)C)C(=O)OC	ZINC000601786406	349343842	/nfs/dbraw/zinc/34/38/42/349343842.db2.gz	QDTTYHVEIFQSFV-VIFPVBQESA-N	0	1	228.292	0.172	20	30		BCEDMN
CC(C)(CC#N)CNC(=O)CCc1c[nH]nn1	ZINC000601627460	349315518	/nfs/dbraw/zinc/31/55/18/349315518.db2.gz	WXSBGVFMYLKCHT-UHFFFAOYSA-N	0	1	235.291	0.793	20	30		BCEDMN
CC(C)(CC#N)CNC(=O)CCc1cnn[nH]1	ZINC000601627460	349315520	/nfs/dbraw/zinc/31/55/20/349315520.db2.gz	WXSBGVFMYLKCHT-UHFFFAOYSA-N	0	1	235.291	0.793	20	30		BCEDMN
CC(C)(CC#N)CNC(=O)Cc1nnc[nH]1	ZINC000601632604	349317558	/nfs/dbraw/zinc/31/75/58/349317558.db2.gz	MQSKQQUQKFRHHR-UHFFFAOYSA-N	0	1	221.264	0.403	20	30		BCEDMN
C=CCCSCCNC(=O)Cc1nnc[nH]1	ZINC000601664867	349321462	/nfs/dbraw/zinc/32/14/62/349321462.db2.gz	SFHIAWRPCMFFKL-UHFFFAOYSA-N	0	1	240.332	0.773	20	30		BCEDMN
CN(C)CC(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000601807769	349360637	/nfs/dbraw/zinc/36/06/37/349360637.db2.gz	IRLSVXAKKNASAO-VHSXEESVSA-N	0	1	209.293	0.699	20	30		BCEDMN
N#CCCn1[nH]c2c(c1=O)CSCC2	ZINC000601931560	349384404	/nfs/dbraw/zinc/38/44/04/349384404.db2.gz	LXZSAFSGQMCGFH-ZETCQYMHSA-N	0	1	209.274	0.851	20	30		BCEDMN
COC(=O)Cc1c[nH]n(C[C@H](C)C#N)c1=O	ZINC000601932617	349385917	/nfs/dbraw/zinc/38/59/17/349385917.db2.gz	LGMINKJSJKXGJM-HTQZYQBOSA-N	0	1	223.232	0.153	20	30		BCEDMN
CCN(CCC#N)C(=O)CCCc1nn[nH]n1	ZINC000602078432	349429402	/nfs/dbraw/zinc/42/94/02/349429402.db2.gz	IKFBGIMDAPETAW-UHFFFAOYSA-N	0	1	236.279	0.285	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N(CC#N)C1CC1	ZINC000602080223	349430553	/nfs/dbraw/zinc/43/05/53/349430553.db2.gz	LWPTYELPTNOOEU-NSHDSACASA-N	0	1	221.304	0.985	20	30		BCEDMN
C=CCCC(=O)NCCCc1nc[nH]n1	ZINC000070819267	350062470	/nfs/dbraw/zinc/06/24/70/350062470.db2.gz	QYRZTDPQNHGJMC-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=CCOCCCNC(=O)Cc1n[nH]c(C)n1	ZINC000618516032	350087443	/nfs/dbraw/zinc/08/74/43/350087443.db2.gz	IXTPSDOAGJYNHX-UHFFFAOYSA-N	0	1	238.291	0.365	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)CSCC#N)C1	ZINC000604267935	350096904	/nfs/dbraw/zinc/09/69/04/350096904.db2.gz	HDLZRNCCCWKWIQ-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
C=C(CC)CNC(=O)N1CCN[C@H](C)C1	ZINC000334950502	350224890	/nfs/dbraw/zinc/22/48/90/350224890.db2.gz	YRJKZBBBFOBIRH-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
CCCOCC(=O)NC1(C#N)CCN(C)CC1	ZINC000225592283	350367736	/nfs/dbraw/zinc/36/77/36/350367736.db2.gz	FEJGFWWPYSJSDB-UHFFFAOYSA-N	0	1	239.319	0.517	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@@H]1CNCCO1	ZINC000158405632	191103606	/nfs/dbraw/zinc/10/36/06/191103606.db2.gz	NSJWPASCFCCBPJ-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
N#CCCCN1CCC[C@H](CS(N)(=O)=O)C1	ZINC000336671465	350430097	/nfs/dbraw/zinc/43/00/97/350430097.db2.gz	JTNNCZJHZZRLNX-JTQLQIEISA-N	0	1	245.348	0.291	20	30		BCEDMN
CCN(C[C@@H](O)Cn1cccn1)C[C@H](C)C#N	ZINC000336702794	350459195	/nfs/dbraw/zinc/45/91/95/350459195.db2.gz	AJKJPJQGQFEONK-VXGBXAGGSA-N	0	1	236.319	0.726	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)CC(C)(C)O	ZINC000078727802	166327645	/nfs/dbraw/zinc/32/76/45/166327645.db2.gz	NGXUJPQLIFRLLO-UHFFFAOYSA-N	0	1	240.347	0.890	20	30		BCEDMN
C=CCCN1CCN(C(=O)CCOC)CC1	ZINC000337071829	350548347	/nfs/dbraw/zinc/54/83/47/350548347.db2.gz	NROLFVKNLMJGJC-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
Cn1ncc(-c2nc(C3(N)CCC3)no2)c1C#N	ZINC000571045684	350693160	/nfs/dbraw/zinc/69/31/60/350693160.db2.gz	BWKKLFQHBFWPSU-UHFFFAOYSA-N	0	1	244.258	0.680	20	30		BCEDMN
N#Cc1cccc(C(=O)NC[C@@H]2COCCN2)c1	ZINC000236403055	350735778	/nfs/dbraw/zinc/73/57/78/350735778.db2.gz	VMBMJOSRLOLRQM-GFCCVEGCSA-N	0	1	245.282	0.276	20	30		BCEDMN
CC[C@H](C(N)=O)N1CCC[C@@H](CC#N)C1	ZINC000397659510	350958798	/nfs/dbraw/zinc/95/87/98/350958798.db2.gz	FANXLZCLQZFUET-VHSXEESVSA-N	0	1	209.293	0.876	20	30		BCEDMN
N#CC[C@H]1CCCN(CCN2CCNC2=O)C1	ZINC000397745172	350969643	/nfs/dbraw/zinc/96/96/43/350969643.db2.gz	BBVNLXWIXXRGHF-LLVKDONJSA-N	0	1	236.319	0.637	20	30		BCEDMN
C[C@H](NCc1ccc(C#N)o1)[C@@H]1CN(C)CCO1	ZINC000129102271	350986937	/nfs/dbraw/zinc/98/69/37/350986937.db2.gz	SKGYOXUORBLTKT-GWCFXTLKSA-N	0	1	249.314	0.960	20	30		BCEDMN
C[C@](O)(CO)CNCc1ccc(C#N)cc1F	ZINC000090288083	363031445	/nfs/dbraw/zinc/03/14/45/363031445.db2.gz	KFVYZQUZLUDZTE-GFCCVEGCSA-N	0	1	238.262	0.530	20	30		BCEDMN
C=CCOCC(=O)N1CCN(C)C(C)(C)C1	ZINC000577649305	366030675	/nfs/dbraw/zinc/03/06/75/366030675.db2.gz	YUGPXJLAEDXZOQ-UHFFFAOYSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CCN(CC=C)C(=O)c1cnc(CN)nc1	ZINC000637870755	351736555	/nfs/dbraw/zinc/73/65/55/351736555.db2.gz	WDAABUNCEAQVKM-UHFFFAOYSA-N	0	1	232.287	0.750	20	30		BCEDMN
C=CCNC(=O)[C@@H](N)Cc1cccc(OC)c1	ZINC000637870919	351737095	/nfs/dbraw/zinc/73/70/95/351737095.db2.gz	GNARIEPAVFFGGQ-LBPRGKRZSA-N	0	1	234.299	0.867	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@H](C)OC)C1=O	ZINC000281199725	351879744	/nfs/dbraw/zinc/87/97/44/351879744.db2.gz	CHROFIJWXCVFCP-WDEREUQCSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C[C@@H](C)O)C1=O	ZINC000281994671	351919852	/nfs/dbraw/zinc/91/98/52/351919852.db2.gz	NCYRZNJZCYGBSL-NXEZZACHSA-N	0	1	212.293	0.086	20	30		BCEDMN
N#CCCN1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000125615101	191144274	/nfs/dbraw/zinc/14/42/74/191144274.db2.gz	PQFAPTGHIRLAFN-GHMZBOCLSA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCc1ccc(C(=O)NCc2nnc[nH]2)cc1	ZINC000340153014	351950254	/nfs/dbraw/zinc/95/02/54/351950254.db2.gz	UNYJIWWTBPMPBY-UHFFFAOYSA-N	0	1	241.254	0.801	20	30		BCEDMN
CO/N=C/C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000289788955	352197878	/nfs/dbraw/zinc/19/78/78/352197878.db2.gz	LRVQOZLEKYIXOK-UGZWPXFQSA-N	0	1	222.248	0.536	20	30		BCEDMN
C=CCOCCNC(=O)C1(N(C)C)CC1	ZINC000613361126	363138748	/nfs/dbraw/zinc/13/87/48/363138748.db2.gz	VLJDZHNRUBWGOJ-UHFFFAOYSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CC[C@H](CC)NC(=O)NC[C@@H]1COCCN1	ZINC000627027106	363120620	/nfs/dbraw/zinc/12/06/20/363120620.db2.gz	IXLVNYGKCGOHDR-WDEREUQCSA-N	0	1	241.335	0.629	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)[C@H]2CNCCO2)C1	ZINC000638471277	352281502	/nfs/dbraw/zinc/28/15/02/352281502.db2.gz	AEFKVFOPXXLGFS-WDEREUQCSA-N	0	1	224.304	0.399	20	30		BCEDMN
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CN1CCC[C@H](NC(=O)C(C)(C)C#N)C1	ZINC000044363498	352290697	/nfs/dbraw/zinc/29/06/97/352290697.db2.gz	QGVHXYPMKUBBGP-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
N#CCNC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000339925120	191187962	/nfs/dbraw/zinc/18/79/62/191187962.db2.gz	KQYCPMZEOYXWAW-ZETCQYMHSA-N	0	1	204.233	0.469	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1	ZINC000638613332	352452610	/nfs/dbraw/zinc/45/26/10/352452610.db2.gz	IBDRWQVTAXDTRZ-QWRGUYRKSA-N	0	1	226.320	0.693	20	30		BCEDMN
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C=CCC(CC=C)C(=O)NC[C@H]1COCCN1	ZINC000638621851	352459711	/nfs/dbraw/zinc/45/97/11/352459711.db2.gz	ZFLQHSFJPKFOLI-LBPRGKRZSA-N	0	1	238.331	0.859	20	30		BCEDMN
C=C(C)C[N@@H+]1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000411901128	191229413	/nfs/dbraw/zinc/22/94/13/191229413.db2.gz	FXTHUSUKBNXIPV-LLVKDONJSA-N	0	1	226.320	0.599	20	30		BCEDMN
CC#CCCN1CCN2C(=O)CC[C@@H]2C1	ZINC000334188381	352778307	/nfs/dbraw/zinc/77/83/07/352778307.db2.gz	JRDPLACYUZUBRL-LLVKDONJSA-N	0	1	206.289	0.706	20	30		BCEDMN
CN(C)CC(=O)N1CCSC[C@H]1C#N	ZINC000334198847	352791585	/nfs/dbraw/zinc/79/15/85/352791585.db2.gz	LXYHYIIFOBLAFO-MRVPVSSYSA-N	0	1	213.306	0.016	20	30		BCEDMN
C=CCNC(=O)CN1CCC([C@H](C)O)CC1	ZINC000078643105	166364508	/nfs/dbraw/zinc/36/45/08/166364508.db2.gz	UIDNSKXLARDILH-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCC2(CN(C)C2)C1	ZINC000398658054	353124708	/nfs/dbraw/zinc/12/47/08/353124708.db2.gz	HCAGHYSFYCFURR-SNVBAGLBSA-N	0	1	221.304	0.700	20	30		BCEDMN
C=C(C)CNC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000274984124	188093539	/nfs/dbraw/zinc/09/35/39/188093539.db2.gz	BVGZIYUERAUVCM-LLVKDONJSA-N	0	1	240.351	0.108	20	30		BCEDMN
C#CCN1CCC(N2CCCC2=O)CC1	ZINC000264150233	188087283	/nfs/dbraw/zinc/08/72/83/188087283.db2.gz	CTUQTASTLONJQU-UHFFFAOYSA-N	0	1	206.289	0.706	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N1CCNC[C@@H]1C	ZINC000125775099	353195185	/nfs/dbraw/zinc/19/51/85/353195185.db2.gz	ODYNZMFINWBVSP-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CC#N	ZINC000330828875	353184041	/nfs/dbraw/zinc/18/40/41/353184041.db2.gz	TWTVGCARFGLLSY-MNOVXSKESA-N	0	1	239.319	0.373	20	30		BCEDMN
CCOC(=O)[C@@](C)(O)CN1CCC(C#N)CC1	ZINC000330902425	353197797	/nfs/dbraw/zinc/19/77/97/353197797.db2.gz	BSEPWSXXZPSXJO-LBPRGKRZSA-N	0	1	240.303	0.536	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)N=NC2C1	ZINC000331067543	353214834	/nfs/dbraw/zinc/21/48/34/353214834.db2.gz	RMCVZAXQDUFJTC-SECBINFHSA-N	0	1	238.291	0.126	20	30		BCEDMN
C[C@H](C#N)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000330956893	353203812	/nfs/dbraw/zinc/20/38/12/353203812.db2.gz	NERFKSLADLWOSH-SSDOTTSWSA-N	0	1	206.249	0.716	20	30		BCEDMN
CC(C)(C)[C@@H](C#N)NC(=O)CCc1nc[nH]n1	ZINC000331213396	353230621	/nfs/dbraw/zinc/23/06/21/353230621.db2.gz	UBJGHEIQGYLBHQ-MRVPVSSYSA-N	0	1	235.291	0.792	20	30		BCEDMN
C[C@H](CC#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000126226712	353248108	/nfs/dbraw/zinc/24/81/08/353248108.db2.gz	XEHZFBFAKAFFMF-NXEZZACHSA-N	0	1	241.360	0.842	20	30		BCEDMN
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COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C#N)C1	ZINC000398968962	353400871	/nfs/dbraw/zinc/40/08/71/353400871.db2.gz	UQEXIWRVMQIRDT-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
COCCN1CCC[C@@H](NC(=O)[C@H](C)C#N)C1	ZINC000398968962	353400875	/nfs/dbraw/zinc/40/08/75/353400875.db2.gz	UQEXIWRVMQIRDT-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)[NH+](C)C	ZINC000412396851	191279893	/nfs/dbraw/zinc/27/98/93/191279893.db2.gz	WYUVBEIKUIHEHW-VIFPVBQESA-N	0	1	247.298	0.944	20	30		BCEDMN
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C#C[C@@H](NC(=O)[C@H]1CCCN1C)C(C)C	ZINC000282196046	353465112	/nfs/dbraw/zinc/46/51/12/353465112.db2.gz	SNSWBKYGICNMNK-GHMZBOCLSA-N	0	1	208.305	0.855	20	30		BCEDMN
CC#CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000285050147	353526319	/nfs/dbraw/zinc/52/63/19/353526319.db2.gz	JKHPPEWXTHQNMJ-ZWNOBZJWSA-N	0	1	246.314	0.305	20	30		BCEDMN
C#C[C@@H](NC(=O)c1ncn[nH]1)C(C)(C)C	ZINC000288032395	353590949	/nfs/dbraw/zinc/59/09/49/353590949.db2.gz	CGESUFSRKSVFPO-SSDOTTSWSA-N	0	1	206.249	0.582	20	30		BCEDMN
C#C[C@@H](NC(=O)c1nc[nH]n1)C(C)(C)C	ZINC000288032395	353590950	/nfs/dbraw/zinc/59/09/50/353590950.db2.gz	CGESUFSRKSVFPO-SSDOTTSWSA-N	0	1	206.249	0.582	20	30		BCEDMN
C#CCN1CCCC[C@H]1COC(=O)NC	ZINC000286655863	353564700	/nfs/dbraw/zinc/56/47/00/353564700.db2.gz	AGWKENFJYIKHOT-JTQLQIEISA-N	0	1	210.277	0.830	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@H](n2cccn2)C1	ZINC000291708426	353697687	/nfs/dbraw/zinc/69/76/87/353697687.db2.gz	IKFZPKVBRHOAKD-NEPJUHHUSA-N	0	1	246.314	0.268	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000291342601	353687475	/nfs/dbraw/zinc/68/74/75/353687475.db2.gz	WDYIPXMAFYTHJX-GFCCVEGCSA-N	0	1	242.294	0.880	20	30		BCEDMN
C#CCOc1ccc(CN[C@@H](C)C(=O)NC)cc1	ZINC000291798302	353704557	/nfs/dbraw/zinc/70/45/57/353704557.db2.gz	WVJZXLAVNAQLGH-NSHDSACASA-N	0	1	246.310	0.923	20	30		BCEDMN
C#CCN(C)C(=O)NCCCc1cn[nH]c1C	ZINC000292423364	353713866	/nfs/dbraw/zinc/71/38/66/353713866.db2.gz	MWUBOEAUNUOMCF-UHFFFAOYSA-N	0	1	234.303	0.925	20	30		BCEDMN
C=CCOCCN(CCCC)CC(N)=O	ZINC000292686666	353720448	/nfs/dbraw/zinc/72/04/48/353720448.db2.gz	AGKLYYNSDNEUHK-UHFFFAOYSA-N	0	1	214.309	0.776	20	30		BCEDMN
C=CCCCS(=O)(=O)NCCc1nc[nH]n1	ZINC000292664565	353720784	/nfs/dbraw/zinc/72/07/84/353720784.db2.gz	QVXPMNUDKQBLCE-UHFFFAOYSA-N	0	1	244.320	0.233	20	30		BCEDMN
C=CCCN1CCc2c(nnn2CCOC)C1	ZINC000293540899	353748637	/nfs/dbraw/zinc/74/86/37/353748637.db2.gz	KGDWLBIJNGOIIM-UHFFFAOYSA-N	0	1	236.319	0.859	20	30		BCEDMN
C#CCN(C)CCCNC(=O)C(=O)C(C)(C)C	ZINC000293962803	353765848	/nfs/dbraw/zinc/76/58/48/353765848.db2.gz	LDSRPIRHNJVRHN-UHFFFAOYSA-N	0	1	238.331	0.673	20	30		BCEDMN
C#C[C@@H](NC(=O)N[C@H](C)c1nnc[nH]1)C(C)C	ZINC000294196530	353771210	/nfs/dbraw/zinc/77/12/10/353771210.db2.gz	KXUODNUQXHBVHD-RKDXNWHRSA-N	0	1	235.291	0.823	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O	ZINC000295651188	353810972	/nfs/dbraw/zinc/81/09/72/353810972.db2.gz	HLBNELDVZFXMHK-SECBINFHSA-N	0	1	214.309	0.509	20	30		BCEDMN
CCN(CC(=O)NCC#N)C[C@H]1CCCO1	ZINC000066664819	353811617	/nfs/dbraw/zinc/81/16/17/353811617.db2.gz	FWYOFFTXQQYXJS-SNVBAGLBSA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000185730189	353831098	/nfs/dbraw/zinc/83/10/98/353831098.db2.gz	VFFAYBGTIUPFIB-VHSXEESVSA-N	0	1	249.314	0.883	20	30		BCEDMN
CC#CC(=O)N1CCN([C@@H](C)CC)CC1	ZINC000296972291	353838294	/nfs/dbraw/zinc/83/82/94/353838294.db2.gz	ORFJXDUBTJWEBF-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C#C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000185357403	353793728	/nfs/dbraw/zinc/79/37/28/353793728.db2.gz	MLNSLQFYAUQBHY-YFKPBYRVSA-N	0	1	208.177	0.069	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H](CO)CC(C)C	ZINC000185359870	353793902	/nfs/dbraw/zinc/79/39/02/353793902.db2.gz	NBJDXCOMHJAWOW-LLVKDONJSA-N	0	1	228.336	0.627	20	30		BCEDMN
C[C@H](CC#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343409433	353879105	/nfs/dbraw/zinc/87/91/05/353879105.db2.gz	QEPPMFYOBMHFFQ-RXMQYKEDSA-N	0	1	223.192	0.350	20	30		BCEDMN
C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1C	ZINC000343418743	353881165	/nfs/dbraw/zinc/88/11/65/353881165.db2.gz	CKHLNZKLSNZTJD-UWVGGRQHSA-N	0	1	241.360	0.842	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)N[C@H](C#C)C(C)C	ZINC000297122162	353848027	/nfs/dbraw/zinc/84/80/27/353848027.db2.gz	ZHXPYEXOHFNGQO-CYBMUJFWSA-N	0	1	249.358	0.899	20	30		BCEDMN
CCOC(=O)[C@H](CCOC)NC(=O)C(C)C#N	ZINC000343928638	354045271	/nfs/dbraw/zinc/04/52/71/354045271.db2.gz	CJWOZAHSKIYDOK-IUCAKERBSA-N	0	1	242.275	0.230	20	30		BCEDMN
C=CCSCCNCc1cn(C)nn1	ZINC000230655507	363317742	/nfs/dbraw/zinc/31/77/42/363317742.db2.gz	RSSXBZFCLOKNNO-UHFFFAOYSA-N	0	1	212.322	0.824	20	30		BCEDMN
C=CCOCCCN1C[C@@H](OC)C[C@@H]1C(N)=O	ZINC000344558251	354295944	/nfs/dbraw/zinc/29/59/44/354295944.db2.gz	XWVQPLFLBVXFPH-WDEREUQCSA-N	0	1	242.319	0.154	20	30		BCEDMN
N#Cc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)o1	ZINC000367776340	181105773	/nfs/dbraw/zinc/10/57/73/181105773.db2.gz	DPKYFFJYXKDAJK-GDNZZTSVSA-N	0	1	218.256	0.821	20	30		BCEDMN
N#Cc1ccccc1CN1[C@@H](CO)CC[C@@H]1CO	ZINC000287508045	181145112	/nfs/dbraw/zinc/14/51/12/181145112.db2.gz	UHZDHTYZMXSBFB-ZIAGYGMSSA-N	0	1	246.310	0.876	20	30		BCEDMN
N#CCCCNC(=O)NCCN1CCC1	ZINC000345813542	354782260	/nfs/dbraw/zinc/78/22/60/354782260.db2.gz	JYKCCCGAPCWUGB-UHFFFAOYSA-N	0	1	210.281	0.295	20	30		BCEDMN
C=CCOCCCC(=O)NCCc1nc[nH]n1	ZINC000345719945	354743123	/nfs/dbraw/zinc/74/31/23/354743123.db2.gz	RDRMIWATTCZILU-UHFFFAOYSA-N	0	1	238.291	0.446	20	30		BCEDMN
C=CCCCN1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000345898617	354802212	/nfs/dbraw/zinc/80/22/12/354802212.db2.gz	CLNODESNIHKTFZ-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCCCN(C)C(=O)NC[C@@H]1COCCN1	ZINC000627185482	363440286	/nfs/dbraw/zinc/44/02/86/363440286.db2.gz	GIONIEKRKJKAMD-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)CC[C@H]2C1	ZINC000346456372	354948693	/nfs/dbraw/zinc/94/86/93/354948693.db2.gz	OLRFKFFSPKTCDF-RYUDHWBXSA-N	0	1	238.331	0.620	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C(=O)OC)[C@H]1C	ZINC000346687825	355012796	/nfs/dbraw/zinc/01/27/96/355012796.db2.gz	WTCPJOQJAGOZCC-NXEZZACHSA-N	0	1	240.303	0.172	20	30		BCEDMN
CN(CC(=O)NC1(C#N)CCC1)C1CC1	ZINC000346822478	355125624	/nfs/dbraw/zinc/12/56/24/355125624.db2.gz	KVIFOSVPPJKDKC-UHFFFAOYSA-N	0	1	207.277	0.643	20	30		BCEDMN
C=CCCn1cc(CNC[C@H]2C[C@@H](O)C2)nn1	ZINC000623749228	355320227	/nfs/dbraw/zinc/32/02/27/355320227.db2.gz	ZOFYTXLHEUSESL-KLPPZKSPSA-N	0	1	236.319	0.715	20	30		BCEDMN
C=CCn1cc(CNC[C@H](OC)C2CC2)nn1	ZINC000639273425	355346041	/nfs/dbraw/zinc/34/60/41/355346041.db2.gz	DOKNLZMJNBDPDZ-LBPRGKRZSA-N	0	1	236.319	0.979	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)C[C@H]1COCCN1	ZINC000087509568	355353296	/nfs/dbraw/zinc/35/32/96/355353296.db2.gz	LXHZZFSMYPWBQM-UWVGGRQHSA-N	0	1	225.292	0.125	20	30		BCEDMN
CCCN(CC(N)=O)CC1(CC#N)CC1	ZINC000389601173	355704626	/nfs/dbraw/zinc/70/46/26/355704626.db2.gz	UOQYFCJDCGXVCO-UHFFFAOYSA-N	0	1	209.293	0.878	20	30		BCEDMN
C#CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000015954946	355885062	/nfs/dbraw/zinc/88/50/62/355885062.db2.gz	LHFBOKBKJHKMNM-NWDGAFQWSA-N	0	1	228.295	0.901	20	30		BCEDMN
C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1nnc[nH]1	ZINC000329113652	355897418	/nfs/dbraw/zinc/89/74/18/355897418.db2.gz	RWZVEWRTBIEAAF-YUMQZZPRSA-N	0	1	239.279	0.153	20	30		BCEDMN
CC(=O)N1CC(NC(=O)[C@@H]2CCCN2C)C1	ZINC000329972854	356154218	/nfs/dbraw/zinc/15/42/18/356154218.db2.gz	YHQZNBYDRAOMCR-JTQLQIEISA-N	0	1	225.292	0.268	20	30		BCEDMN
C=CCCNC(=O)CN1CCN(CC)CC1	ZINC000617615908	356186044	/nfs/dbraw/zinc/18/60/44/356186044.db2.gz	BNMJAQKZYKOLKY-UHFFFAOYSA-N	0	1	225.336	0.316	20	30		BCEDMN
C=CCCNC(=O)[C@H](C)CN1CCOCC1	ZINC000617616924	356192578	/nfs/dbraw/zinc/19/25/78/356192578.db2.gz	NIZRUIYGHIGEOC-LLVKDONJSA-N	0	1	226.320	0.647	20	30		BCEDMN
CCN(CCC#N)C(=O)Cc1ccn[nH]1	ZINC000267896926	356374634	/nfs/dbraw/zinc/37/46/34/356374634.db2.gz	VQAKXYOHRPGBPZ-UHFFFAOYSA-N	0	1	206.249	0.714	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1Cc1ccc(C#N)o1	ZINC000449787430	202038459	/nfs/dbraw/zinc/03/84/59/202038459.db2.gz	VLUGJKCTAZWTIS-NSHDSACASA-N	0	1	249.314	0.650	20	30		BCEDMN
CCc1nc(NC(=O)[C@]2(C#N)C[C@H]2C)n[nH]1	ZINC000450136197	202083895	/nfs/dbraw/zinc/08/38/95/202083895.db2.gz	NPJDFPOQKDINQX-LDWIPMOCSA-N	0	1	219.248	0.855	20	30		BCEDMN
CCc1n[nH]c(NC(=O)[C@]2(C#N)C[C@H]2C)n1	ZINC000450136197	202083899	/nfs/dbraw/zinc/08/38/99/202083899.db2.gz	NPJDFPOQKDINQX-LDWIPMOCSA-N	0	1	219.248	0.855	20	30		BCEDMN
CCc1nc(NC(=O)[C@@]2(C#N)C[C@@H]2C)n[nH]1	ZINC000450136204	202084387	/nfs/dbraw/zinc/08/43/87/202084387.db2.gz	NPJDFPOQKDINQX-QUBYGPBYSA-N	0	1	219.248	0.855	20	30		BCEDMN
CCc1n[nH]c(NC(=O)[C@@]2(C#N)C[C@@H]2C)n1	ZINC000450136204	202084390	/nfs/dbraw/zinc/08/43/90/202084390.db2.gz	NPJDFPOQKDINQX-QUBYGPBYSA-N	0	1	219.248	0.855	20	30		BCEDMN
C=CCCS(=O)(=O)Nc1cn(C)nc1OC	ZINC000352299040	134139826	/nfs/dbraw/zinc/13/98/26/134139826.db2.gz	HJBGXMRMUWARTD-UHFFFAOYSA-N	0	1	245.304	0.747	20	30		BCEDMN
CN(C)C(=O)CN(C)[C@H]1CC[C@@H](C#N)C1	ZINC000336327863	134143565	/nfs/dbraw/zinc/14/35/65/134143565.db2.gz	YMAXLZNYRVMUKN-ZJUUUORDSA-N	0	1	209.293	0.699	20	30		BCEDMN
CCN1C[C@@H](C)N(C(=O)CC#N)C[C@H]1C	ZINC000336347885	134144290	/nfs/dbraw/zinc/14/42/90/134144290.db2.gz	PEOYDDLFVTYAPN-NXEZZACHSA-N	0	1	209.293	0.841	20	30		BCEDMN
N#CCCNC(=O)NCCN1CC=CCC1	ZINC000331042306	134148726	/nfs/dbraw/zinc/14/87/26/134148726.db2.gz	RDJGLHCTADKQFD-UHFFFAOYSA-N	0	1	222.292	0.666	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(C(=O)OC)n(C)c1	ZINC000352472991	134146202	/nfs/dbraw/zinc/14/62/02/134146202.db2.gz	MZMZCFVZDDFHRC-SNVBAGLBSA-N	0	1	238.287	0.448	20	30		BCEDMN
Cc1cc(CNC(=O)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000610026406	356698326	/nfs/dbraw/zinc/69/83/26/356698326.db2.gz	UKAKAPIJJYLDOE-JTQLQIEISA-N	0	1	249.274	0.152	20	30		BCEDMN
CCOC[C@@H]1CCCN(CC(=O)NCC#N)C1	ZINC000113938117	134161764	/nfs/dbraw/zinc/16/17/64/134161764.db2.gz	IZIHXILGVLGTKC-LLVKDONJSA-N	0	1	239.319	0.375	20	30		BCEDMN
N#CCCCCN1C[C@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000353119667	134162126	/nfs/dbraw/zinc/16/21/26/134162126.db2.gz	OQTISBGCJNCHLV-GHMZBOCLSA-N	0	1	242.344	0.799	20	30		BCEDMN
CO[C@@H](C)CN(C)[C@H](C)C(=O)N(C)CCC#N	ZINC000353255863	134162793	/nfs/dbraw/zinc/16/27/93/134162793.db2.gz	PSRCOLKFJFVYAO-WDEREUQCSA-N	0	1	241.335	0.714	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)NC1(c2nn[nH]n2)CC1	ZINC000355028235	134171421	/nfs/dbraw/zinc/17/14/21/134171421.db2.gz	FCLLZFKAJJWVAR-SECBINFHSA-N	0	1	234.263	0.245	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)NC2CC2)C1	ZINC000355118888	134171842	/nfs/dbraw/zinc/17/18/42/134171842.db2.gz	CCFRMDUVIWPTNS-LLVKDONJSA-N	0	1	221.304	0.546	20	30		BCEDMN
CCN(CC#N)C(=O)CCc1cnc[nH]1	ZINC000355094072	134172079	/nfs/dbraw/zinc/17/20/79/134172079.db2.gz	DXTVVZWFVZIMBA-UHFFFAOYSA-N	0	1	206.249	0.714	20	30		BCEDMN
C=CCCCN1CCO[C@@H](Cn2ccnn2)C1	ZINC000639862642	356871017	/nfs/dbraw/zinc/87/10/17/356871017.db2.gz	XMEFTJGCVAGKJI-GFCCVEGCSA-N	0	1	236.319	0.945	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1CC#Cc1ccccc1	ZINC000639851093	356855265	/nfs/dbraw/zinc/85/52/65/356855265.db2.gz	YZENPBZMULHEPL-LSDHHAIUSA-N	0	1	245.322	0.856	20	30		BCEDMN
CC[C@H](O)[C@H]1CCCCN1CC(=O)NCC#N	ZINC000358210812	134187081	/nfs/dbraw/zinc/18/70/81/134187081.db2.gz	POFOVIUPXMVSEK-MNOVXSKESA-N	0	1	239.319	0.252	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)C(C)(C)C	ZINC000610091186	357098793	/nfs/dbraw/zinc/09/87/93/357098793.db2.gz	ROMNLXBRAOIOFD-HTQZYQBOSA-N	0	1	226.276	0.850	20	30		BCEDMN
CC(C)(CNC[C@H](C#N)CCC#N)OCCO	ZINC000583693908	357183412	/nfs/dbraw/zinc/18/34/12/357183412.db2.gz	PIWXZUBDROHGIW-NSHDSACASA-N	0	1	239.319	0.807	20	30		BCEDMN
CN1CCN(Cc2cncc(C#N)c2)CC1	ZINC000260789693	538850631	/nfs/dbraw/zinc/85/06/31/538850631.db2.gz	ILLJLWLRPUGQLN-UHFFFAOYSA-N	0	1	216.288	0.701	20	30		BCEDMN
C=CCN1CC[C@@H](N2CCOCC[C@@H]2C)C1=O	ZINC000369195690	134221844	/nfs/dbraw/zinc/22/18/44/134221844.db2.gz	VVNPUZGUUOFBNU-NWDGAFQWSA-N	0	1	238.331	0.884	20	30		BCEDMN
Cc1nnc(SCC(=O)NC2(C#N)CC2)[nH]1	ZINC000610414780	357920017	/nfs/dbraw/zinc/92/00/17/357920017.db2.gz	DFVHVYAMTLLQDV-UHFFFAOYSA-N	0	1	237.288	0.378	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)NC2(C#N)CC2)n1	ZINC000610414780	357920021	/nfs/dbraw/zinc/92/00/21/357920021.db2.gz	DFVHVYAMTLLQDV-UHFFFAOYSA-N	0	1	237.288	0.378	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCOC[C@@H]1C	ZINC000584478671	357995924	/nfs/dbraw/zinc/99/59/24/357995924.db2.gz	YUELPIXSZQESGQ-RYUDHWBXSA-N	0	1	225.336	0.989	20	30		BCEDMN
C=CCNC(=O)CN1CCOC[C@H](C)C1	ZINC000378288501	134245767	/nfs/dbraw/zinc/24/57/67/134245767.db2.gz	WBAKORIAXPFCMS-SNVBAGLBSA-N	0	1	212.293	0.257	20	30		BCEDMN
C=CCOCC[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000584535041	358044939	/nfs/dbraw/zinc/04/49/39/358044939.db2.gz	OKQMGKNYYNHNPP-VHSXEESVSA-N	0	1	229.276	0.363	20	30		BCEDMN
CCN1CCN(c2cncc(C#N)n2)[C@H](C)C1	ZINC000584583903	358096821	/nfs/dbraw/zinc/09/68/21/358096821.db2.gz	QTIKWWZOIXFSCR-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCCO[C@@H](C)C1	ZINC000170770397	134253482	/nfs/dbraw/zinc/25/34/82/134253482.db2.gz	DKGTYJBZPCKPQY-QWRGUYRKSA-N	0	1	226.320	0.788	20	30		BCEDMN
CC[C@H](O)CN1CCN([C@H](C#N)C(C)C)CC1	ZINC000610762204	358146421	/nfs/dbraw/zinc/14/64/21/358146421.db2.gz	CBUJWKSLXWEFFW-QWHCGFSZSA-N	0	1	239.363	0.923	20	30		BCEDMN
CCN(CCO)CC(=O)N[C@](C)(C#N)C(C)C	ZINC000049754420	358700405	/nfs/dbraw/zinc/70/04/05/358700405.db2.gz	VBAHCTGOKHPQAL-GFCCVEGCSA-N	0	1	241.335	0.355	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCC(=O)OCC	ZINC000050067303	358712795	/nfs/dbraw/zinc/71/27/95/358712795.db2.gz	ZINJUDJHZQNIAL-JTQLQIEISA-N	0	1	242.319	0.562	20	30		BCEDMN
N#CCc1ccc(C(=O)NCc2nn[nH]n2)cc1	ZINC000611149889	358891504	/nfs/dbraw/zinc/89/15/04/358891504.db2.gz	NCBHZFXYSYMDFE-UHFFFAOYSA-N	0	1	242.242	0.196	20	30		BCEDMN
C=CCCC(=O)N1CCN(CC(C)(C)O)CC1	ZINC000070942827	359066797	/nfs/dbraw/zinc/06/67/97/359066797.db2.gz	JGOOPACXHOXYKT-UHFFFAOYSA-N	0	1	240.347	0.868	20	30		BCEDMN
N#Cc1ccc(N2CCc3cn[nH]c3C2)nn1	ZINC000611242247	359246682	/nfs/dbraw/zinc/24/66/82/359246682.db2.gz	MSFXTKJACPRJLX-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
CNC(=O)[C@H](C)CN(C)C[C@@H](C#N)CCC#N	ZINC000247387705	359218539	/nfs/dbraw/zinc/21/85/39/359218539.db2.gz	VHSCISIHHAFASY-GHMZBOCLSA-N	0	1	236.319	0.744	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1	ZINC000611471877	359376565	/nfs/dbraw/zinc/37/65/65/359376565.db2.gz	CSZFBSRZHYITJN-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
C=CCS(=O)(=O)CCN[C@@H](C)c1cn[nH]c1	ZINC000285011486	359320942	/nfs/dbraw/zinc/32/09/42/359320942.db2.gz	HDEOBBSUDZXXNH-VIFPVBQESA-N	0	1	243.332	0.661	20	30		BCEDMN
CO[C@H](C)CN1CCN(CCC#N)CC1	ZINC000611794033	359452658	/nfs/dbraw/zinc/45/26/58/359452658.db2.gz	HRLMYIDNLGVTBH-LLVKDONJSA-N	0	1	211.309	0.553	20	30		BCEDMN
Cc1ccncc1[C@H](C)NCC(=O)NCC#N	ZINC000611938952	359484665	/nfs/dbraw/zinc/48/46/65/359484665.db2.gz	CZILYBIELMJIJK-JTQLQIEISA-N	0	1	232.287	0.680	20	30		BCEDMN
C=C[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000612262649	359758741	/nfs/dbraw/zinc/75/87/41/359758741.db2.gz	CCVLNYABAXUSFP-SFYZADRCSA-N	0	1	220.276	0.915	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1c1cc(C#N)ccn1	ZINC000450952200	202318123	/nfs/dbraw/zinc/31/81/23/202318123.db2.gz	HJKNDMNYJOVCRG-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
C[C@H]1CN(CCO)CCN1c1ccc(C#N)nc1	ZINC000450952751	202318404	/nfs/dbraw/zinc/31/84/04/202318404.db2.gz	IXZCISYYZNZDSP-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
C=C(C)COCCNC(=O)Cc1n[nH]c(C)n1	ZINC000612436593	359841033	/nfs/dbraw/zinc/84/10/33/359841033.db2.gz	SZAROCYDZCOVNG-UHFFFAOYSA-N	0	1	238.291	0.365	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000613966551	363693121	/nfs/dbraw/zinc/69/31/21/363693121.db2.gz	BPBRXHNXQGEBGI-AAEUAGOBSA-N	0	1	240.347	0.722	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C)[C@H](C(C)C)C1	ZINC000613967814	363693309	/nfs/dbraw/zinc/69/33/09/363693309.db2.gz	KNHFSSQABNFFPJ-WDEREUQCSA-N	0	1	226.320	0.332	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CC[N@H+](C)CC1(C)C	ZINC000613168118	360470585	/nfs/dbraw/zinc/47/05/85/360470585.db2.gz	CBOSUPRICXOPLZ-VIFPVBQESA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)CC1(C)C	ZINC000613168118	360470588	/nfs/dbraw/zinc/47/05/88/360470588.db2.gz	CBOSUPRICXOPLZ-VIFPVBQESA-N	0	1	212.293	0.086	20	30		BCEDMN
C=CCCOCCNCc1cnnn1CC	ZINC000417950741	200822896	/nfs/dbraw/zinc/82/28/96/200822896.db2.gz	KQAKUPORYXDYGO-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
C=CCn1cc(CN[C@@H](C)CCOC)nn1	ZINC000424147147	200868817	/nfs/dbraw/zinc/86/88/17/200868817.db2.gz	XTMKBPURNWANSF-JTQLQIEISA-N	0	1	224.308	0.979	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2COCCN2)C1	ZINC000424218371	200891912	/nfs/dbraw/zinc/89/19/12/200891912.db2.gz	SSTUPTQDNYJJDR-HBNTYKKESA-N	0	1	237.303	0.173	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1C[C@H]2C[C@@]2(O)C1	ZINC000640473660	361244495	/nfs/dbraw/zinc/24/44/95/361244495.db2.gz	JVSCLXWILXGLLT-DGCLKSJQSA-N	0	1	236.315	0.254	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1Cc1ncc(C#N)cn1	ZINC000579224443	366737285	/nfs/dbraw/zinc/73/72/85/366737285.db2.gz	OAQNQWSXOVSHRR-GFCCVEGCSA-N	0	1	245.330	0.874	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H]1CCCN1C	ZINC000428485184	201025098	/nfs/dbraw/zinc/02/50/98/201025098.db2.gz	SYUJGIKVYZKHCD-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NCc1n[nH]c(=O)n1C	ZINC000640650987	361350418	/nfs/dbraw/zinc/35/04/18/361350418.db2.gz	VUXCLGJTCFXNCI-LLVKDONJSA-N	0	1	238.291	0.739	20	30		BCEDMN
C=C(CC)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000428817480	201042499	/nfs/dbraw/zinc/04/24/99/201042499.db2.gz	NUBOTYSAVLUBEC-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCCN1CC=CCC1	ZINC000614258366	363772375	/nfs/dbraw/zinc/77/23/75/363772375.db2.gz	ALQLRPLDLAHEGW-GFCCVEGCSA-N	0	1	224.304	0.302	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)CCc1nc[nH]n1	ZINC000429088092	201065764	/nfs/dbraw/zinc/06/57/64/201065764.db2.gz	PGWBDQQLQADSOA-MRVPVSSYSA-N	0	1	208.265	0.818	20	30		BCEDMN
N#Cc1ccc(CNC[C@@H]2CCCC(=O)N2)o1	ZINC000433199406	201168472	/nfs/dbraw/zinc/16/84/72/201168472.db2.gz	LDRMAHZFQWHYRC-VIFPVBQESA-N	0	1	233.271	0.910	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)[C@H](C)[C@@H]1C	ZINC000613228151	361563459	/nfs/dbraw/zinc/56/34/59/361563459.db2.gz	YACKZKPFHVGYRL-UTLUCORTSA-N	0	1	212.293	0.084	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000435429498	201271188	/nfs/dbraw/zinc/27/11/88/201271188.db2.gz	XEDXUIQXFKQUJN-SNVBAGLBSA-N	0	1	244.360	0.719	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CCC[C@H]1CN(C)C	ZINC000435434316	201271525	/nfs/dbraw/zinc/27/15/25/201271525.db2.gz	RSPDMUKIMUGZPS-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
C[C@@H](C#N)NC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000436306979	201320121	/nfs/dbraw/zinc/32/01/21/201320121.db2.gz	LUVCJQDSTBZYBJ-ZETCQYMHSA-N	0	1	244.258	0.452	20	30		BCEDMN
C[C@H](C#N)NC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC000436306978	201321593	/nfs/dbraw/zinc/32/15/93/201321593.db2.gz	LUVCJQDSTBZYBJ-SSDOTTSWSA-N	0	1	244.258	0.452	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCC(c2cc(C)[nH]n2)CC1	ZINC000613233628	361698911	/nfs/dbraw/zinc/69/89/11/361698911.db2.gz	UOHPRTGUMPQKAX-GFCCVEGCSA-N	0	1	249.314	0.971	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1ccc(F)cc1O	ZINC000436928446	201341151	/nfs/dbraw/zinc/34/11/51/201341151.db2.gz	BAANNXXAHHJWHJ-MRVPVSSYSA-N	0	1	225.219	0.808	20	30		BCEDMN
C=CCCCN(C)S(=O)(=O)c1ncc[nH]1	ZINC000389570043	541318234	/nfs/dbraw/zinc/31/82/34/541318234.db2.gz	BGOCVSJJZDSJFR-UHFFFAOYSA-N	0	1	229.305	0.996	20	30		BCEDMN
N#CCN(C(=O)[C@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000328972328	541329374	/nfs/dbraw/zinc/32/93/74/541329374.db2.gz	AIAIQBFIGCKALJ-QMMMGPOBSA-N	0	1	245.286	0.424	20	30		BCEDMN
N#CCN(C(=O)[C@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000328972328	541329379	/nfs/dbraw/zinc/32/93/79/541329379.db2.gz	AIAIQBFIGCKALJ-QMMMGPOBSA-N	0	1	245.286	0.424	20	30		BCEDMN
C=CCCOCC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000622117998	370721768	/nfs/dbraw/zinc/72/17/68/370721768.db2.gz	FHTPALRRZLLMRO-UHFFFAOYSA-N	0	1	241.247	0.326	20	30		BCEDMN
COC[C@@H](NCC(=O)NCC#N)c1ccccc1	ZINC000181686338	366837321	/nfs/dbraw/zinc/83/73/21/366837321.db2.gz	RONNXIWGQAJICY-GFCCVEGCSA-N	0	1	247.298	0.603	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CCc1nn[nH]n1	ZINC000630719075	364501698	/nfs/dbraw/zinc/50/16/98/364501698.db2.gz	XBQQWBYTSRBSEH-UHFFFAOYSA-N	0	1	223.280	0.557	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1	ZINC000573521910	364853806	/nfs/dbraw/zinc/85/38/06/364853806.db2.gz	SVCDYWBPDLAJMA-ZIAGYGMSSA-N	0	1	246.310	0.733	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@@H](CO)[C@@H](O)C2)c1	ZINC000573521906	364853907	/nfs/dbraw/zinc/85/39/07/364853907.db2.gz	SVCDYWBPDLAJMA-KBPBESRZSA-N	0	1	246.310	0.733	20	30		BCEDMN
C=C1CCN(C(=O)[C@@H](NC)c2cnn(C)c2)CC1	ZINC000573692938	364895091	/nfs/dbraw/zinc/89/50/91/364895091.db2.gz	KSFPQUGVJVHYAJ-LBPRGKRZSA-N	0	1	248.330	0.859	20	30		BCEDMN
Cc1nnc(NC(=O)c2ncc(C#N)cc2C)[nH]1	ZINC000574467928	365070691	/nfs/dbraw/zinc/07/06/91/365070691.db2.gz	BSWXCNZMUSURPG-UHFFFAOYSA-N	0	1	242.242	0.941	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ncc(C#N)cc2C)n1	ZINC000574467928	365070697	/nfs/dbraw/zinc/07/06/97/365070697.db2.gz	BSWXCNZMUSURPG-UHFFFAOYSA-N	0	1	242.242	0.941	20	30		BCEDMN
COCC#CCN[C@@H](C)c1cnn(C)c1	ZINC000379948785	541459903	/nfs/dbraw/zinc/45/99/03/541459903.db2.gz	SCBQDBSTWGVASJ-JTQLQIEISA-N	0	1	207.277	0.721	20	30		BCEDMN
CC(C)COC[C@@H](O)CN[C@H](C)CC#N	ZINC000068610842	370817021	/nfs/dbraw/zinc/81/70/21/370817021.db2.gz	AUPFGBDRYMINBT-MNOVXSKESA-N	0	1	214.309	0.912	20	30		BCEDMN
N#CC1(C(=O)N2CCc3[nH]nnc3C2)CCCC1	ZINC000359744243	366908396	/nfs/dbraw/zinc/90/83/96/366908396.db2.gz	OXKQPBSTMXZTFG-UHFFFAOYSA-N	0	1	245.286	0.773	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000182645002	366925700	/nfs/dbraw/zinc/92/57/00/366925700.db2.gz	VVAXPJAJVNPYJZ-VHSXEESVSA-N	0	1	238.335	0.928	20	30		BCEDMN
C[C@@H](CC#N)NCCC(=O)N1CCN(C)CC1	ZINC000068609977	370820590	/nfs/dbraw/zinc/82/05/90/370820590.db2.gz	HJLANRLAWANCIW-NSHDSACASA-N	0	1	238.335	0.042	20	30		BCEDMN
CCN(CCCC(=O)NC)C[C@@H](C)C#N	ZINC000068818383	370851322	/nfs/dbraw/zinc/85/13/22/370851322.db2.gz	LAKXSGDTHUTPAA-JTQLQIEISA-N	0	1	211.309	0.994	20	30		BCEDMN
CN(Cc1ccc(C#N)cn1)C1CC(O)C1	ZINC000580900541	367201727	/nfs/dbraw/zinc/20/17/27/367201727.db2.gz	MQUUVTIAGPSUGP-UHFFFAOYSA-N	0	1	217.272	0.908	20	30		BCEDMN
C=CCOCC[N@H+](CCC)CC(=O)[O-]	ZINC000385830415	367868611	/nfs/dbraw/zinc/86/86/11/367868611.db2.gz	ORACGYAZPXRNPH-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
C=CCNC(=O)CSc1nnc(C)[nH]1	ZINC000014115751	367930938	/nfs/dbraw/zinc/93/09/38/367930938.db2.gz	NHWYLIVQIZXOTC-UHFFFAOYSA-N	0	1	212.278	0.507	20	30		BCEDMN
C=CCNC(=O)CSc1nc(C)n[nH]1	ZINC000014115751	367930944	/nfs/dbraw/zinc/93/09/44/367930944.db2.gz	NHWYLIVQIZXOTC-UHFFFAOYSA-N	0	1	212.278	0.507	20	30		BCEDMN
C[C@@H](O)CN(Cc1ccnc(C#N)c1)[C@@H](C)CO	ZINC000615465987	367985005	/nfs/dbraw/zinc/98/50/05/367985005.db2.gz	NALVIJJQKSPDSW-WDEREUQCSA-N	0	1	249.314	0.517	20	30		BCEDMN
CCN(CC(=O)N1CC[C@](F)(C#N)C1)C1CC1	ZINC000615661078	368196958	/nfs/dbraw/zinc/19/69/58/368196958.db2.gz	AHPVPTZNKFUBEN-LBPRGKRZSA-N	0	1	239.294	0.935	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000615668227	368199940	/nfs/dbraw/zinc/19/99/40/368199940.db2.gz	FYEHHZNHMHMHIM-NSHDSACASA-N	0	1	236.275	0.235	20	30		BCEDMN
C=CCN1CCCC[C@H]1C(=O)N1CCOCC1	ZINC000066892567	368666452	/nfs/dbraw/zinc/66/64/52/368666452.db2.gz	YPLZPHAFNZEOGT-LBPRGKRZSA-N	0	1	238.331	0.886	20	30		BCEDMN
C#CCN(CC(=O)NCC#N)C1CCCCC1	ZINC000066496897	368651016	/nfs/dbraw/zinc/65/10/16/368651016.db2.gz	OVELFYRMTBEGEV-UHFFFAOYSA-N	0	1	233.315	0.894	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)N[C@H]1CCCN(C)C1	ZINC000081750813	370916779	/nfs/dbraw/zinc/91/67/79/370916779.db2.gz	LPJDFOQQDCBPOL-NSHDSACASA-N	0	1	246.314	0.721	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCN([C@H](C)CC)CC1	ZINC000615984459	368854778	/nfs/dbraw/zinc/85/47/78/368854778.db2.gz	LBDRHHIKEZLHGT-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
COC(=O)[C@H]1CCN(Cc2ccnc(C#N)c2)C1	ZINC000095020332	368938915	/nfs/dbraw/zinc/93/89/15/368938915.db2.gz	SMHHTYZWKLYUBI-NSHDSACASA-N	0	1	245.282	0.948	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCc1n[nH]c(CC)n1	ZINC000458873354	203205020	/nfs/dbraw/zinc/20/50/20/203205020.db2.gz	MWBZKUYCJMBOIC-ZETCQYMHSA-N	0	1	223.280	0.741	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)N1CC(C#N)C1	ZINC000259978186	370961382	/nfs/dbraw/zinc/96/13/82/370961382.db2.gz	HQKOSJVFWHOTFR-SNVBAGLBSA-N	0	1	207.277	0.453	20	30		BCEDMN
CN(CCC#N)C(=O)[C@@H]1CCCCN1C	ZINC000259934409	370955969	/nfs/dbraw/zinc/95/59/69/370955969.db2.gz	KMJFVFCBBYBOLO-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
N#Cc1nccc(N2CC(N3CCCC3)C2)n1	ZINC000601193698	369602636	/nfs/dbraw/zinc/60/26/36/369602636.db2.gz	MWCSTXRKTZLPNE-UHFFFAOYSA-N	0	1	229.287	0.633	20	30		BCEDMN
N#Cc1cccc(CNCCn2cccn2)n1	ZINC000602519273	369802458	/nfs/dbraw/zinc/80/24/58/369802458.db2.gz	WVEWIOJLEZMAKY-UHFFFAOYSA-N	0	1	227.271	0.940	20	30		BCEDMN
CN(CCOCCO)Cc1cccc(C#N)n1	ZINC000602658099	369835598	/nfs/dbraw/zinc/83/55/98/369835598.db2.gz	JESSPUYQOXLTCG-UHFFFAOYSA-N	0	1	235.287	0.394	20	30		BCEDMN
C[C@@]1(O)CCN(Cc2cccc(C#N)n2)C1	ZINC000602486856	369794434	/nfs/dbraw/zinc/79/44/34/369794434.db2.gz	WHTTXSZQROXJFN-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
N#Cc1cccc(CNC/C=C\CO)n1	ZINC000602709159	369844423	/nfs/dbraw/zinc/84/44/23/369844423.db2.gz	GQPLUZDAARTFQL-UPHRSURJSA-N	0	1	203.245	0.591	20	30		BCEDMN
C[C@]1(CO)C[C@H](O)CN1Cc1ccccc1C#N	ZINC000602898058	369861248	/nfs/dbraw/zinc/86/12/48/369861248.db2.gz	KUKFJSXCHQIXCG-UONOGXRCSA-N	0	1	246.310	0.876	20	30		BCEDMN
C[C@@]1(O)C[C@H](NCc2cccc(C#N)n2)C1	ZINC000602693025	369842491	/nfs/dbraw/zinc/84/24/91/369842491.db2.gz	ADTJFSJUZLXKIJ-TXEJJXNPSA-N	0	1	217.272	0.956	20	30		BCEDMN
CN1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]21	ZINC000329905727	371211871	/nfs/dbraw/zinc/21/18/71/371211871.db2.gz	JRSMKXYDZZNNAJ-CHWSQXEVSA-N	0	1	244.298	0.472	20	30		BCEDMN
C#C[C@H](C)N[C@@H]1CCCS(=O)(=O)C1	ZINC000229532130	372160828	/nfs/dbraw/zinc/16/08/28/372160828.db2.gz	MSQNQQXUQLCOHJ-DTWKUNHWSA-N	0	1	201.291	0.175	20	30		BCEDMN
C=C1CC(C)(C(=O)NCCc2nc[nH]n2)C1	ZINC000631524992	372408758	/nfs/dbraw/zinc/40/87/58/372408758.db2.gz	POVPFAZBBPLBPM-UHFFFAOYSA-N	0	1	220.276	0.820	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CCc1c[nH]nn1	ZINC000632295818	372869043	/nfs/dbraw/zinc/86/90/43/372869043.db2.gz	WKPJWYLPXJFKJD-SECBINFHSA-N	0	1	238.291	0.038	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)CCc1cnn[nH]1	ZINC000632295818	372869048	/nfs/dbraw/zinc/86/90/48/372869048.db2.gz	WKPJWYLPXJFKJD-SECBINFHSA-N	0	1	238.291	0.038	20	30		BCEDMN
C=CCCC[C@H](C)NC(=O)CCc1nn[nH]n1	ZINC000632310431	372877051	/nfs/dbraw/zinc/87/70/51/372877051.db2.gz	URRUHZPALOAEHK-VIFPVBQESA-N	0	1	237.307	0.993	20	30		BCEDMN
C=CCN(CCOC)C(=O)CCc1c[nH]nn1	ZINC000632750496	373126237	/nfs/dbraw/zinc/12/62/37/373126237.db2.gz	ZJANQDNZEDXMKM-UHFFFAOYSA-N	0	1	238.291	0.398	20	30		BCEDMN
C=CCN(CCOC)C(=O)CCc1cnn[nH]1	ZINC000632750496	373126239	/nfs/dbraw/zinc/12/62/39/373126239.db2.gz	ZJANQDNZEDXMKM-UHFFFAOYSA-N	0	1	238.291	0.398	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)CCc1nn[nH]n1	ZINC000632850962	373188268	/nfs/dbraw/zinc/18/82/68/373188268.db2.gz	YERVRVJUBHUZHO-MRVPVSSYSA-N	0	1	223.280	0.603	20	30		BCEDMN
C=C(CC)CNC(=O)CCc1nn[n-]n1	ZINC000633358458	373493507	/nfs/dbraw/zinc/49/35/07/373493507.db2.gz	GYIXHXMRBYIOKJ-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
C=C(CC)CNC(=O)CCc1nn[nH]n1	ZINC000633358458	373493510	/nfs/dbraw/zinc/49/35/10/373493510.db2.gz	GYIXHXMRBYIOKJ-UHFFFAOYSA-N	0	1	209.253	0.215	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)CCc2nn[nH]n2)C1	ZINC000633672908	373676675	/nfs/dbraw/zinc/67/66/75/373676675.db2.gz	UOHHMZBWKDGIMR-VIFPVBQESA-N	0	1	235.291	0.557	20	30		BCEDMN
C=C(C)CN(C)Cc1cc(=O)n(C)c(=O)n1C	ZINC000181251022	134334335	/nfs/dbraw/zinc/33/43/35/134334335.db2.gz	CSTHVKAYDLGORI-UHFFFAOYSA-N	0	1	237.303	0.092	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCO[C@]2(CCOC2)C1	ZINC000185205709	134375313	/nfs/dbraw/zinc/37/53/13/134375313.db2.gz	QMULUMMIUZBVAP-QWHCGFSZSA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@]2(CCOC2)C1	ZINC000185205709	134375314	/nfs/dbraw/zinc/37/53/14/134375314.db2.gz	QMULUMMIUZBVAP-QWHCGFSZSA-N	0	1	241.331	0.805	20	30		BCEDMN
CC#CCCN1CCO[C@@]2(CCOC2)C1	ZINC000185132032	134374522	/nfs/dbraw/zinc/37/45/22/134374522.db2.gz	ODRKRYAKUKAICP-LBPRGKRZSA-N	0	1	209.289	0.891	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1	ZINC000363461645	384064127	/nfs/dbraw/zinc/06/41/27/384064127.db2.gz	VTFQMHXZJAWOIA-NSHDSACASA-N	0	1	242.344	0.166	20	30		BCEDMN
C#CCCN1CC[C@H](S(=O)(=O)NC2CC2)C1	ZINC000363461645	384064131	/nfs/dbraw/zinc/06/41/31/384064131.db2.gz	VTFQMHXZJAWOIA-NSHDSACASA-N	0	1	242.344	0.166	20	30		BCEDMN
C=CCNC(=O)CN(CC)CCOC	ZINC000299138108	384118707	/nfs/dbraw/zinc/11/87/07/384118707.db2.gz	QZTVYEVAVOVOFM-UHFFFAOYSA-N	0	1	200.282	0.257	20	30		BCEDMN
CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCC#N	ZINC000330363712	384150224	/nfs/dbraw/zinc/15/02/24/384150224.db2.gz	PUWXUZJSKUYOAR-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
CNS(=O)(=O)C[C@H]1CCCN1CCCC#N	ZINC000330363712	384150231	/nfs/dbraw/zinc/15/02/31/384150231.db2.gz	PUWXUZJSKUYOAR-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
Cc1nnc(NC(=O)C(C)(C)S(C)(=O)=O)[nH]1	ZINC000083529989	384308713	/nfs/dbraw/zinc/30/87/13/384308713.db2.gz	AHRGIYHCTPNSHG-UHFFFAOYSA-N	0	1	246.292	0.524	20	30		BCEDMN
Cc1n[nH]c(NC(=O)C(C)(C)S(C)(=O)=O)n1	ZINC000083529989	384308716	/nfs/dbraw/zinc/30/87/16/384308716.db2.gz	AHRGIYHCTPNSHG-UHFFFAOYSA-N	0	1	246.292	0.524	20	30		BCEDMN
C[C@@H]1COCCN1CCC(=O)N(C)CCC#N	ZINC000035775906	384318079	/nfs/dbraw/zinc/31/80/79/384318079.db2.gz	IWCXXQOELPKUEC-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
CC1(C)CCN(CC(=O)N(CC#N)CC#N)C1	ZINC000569590211	384289633	/nfs/dbraw/zinc/28/96/33/384289633.db2.gz	TWFHPYDEQGTZAE-UHFFFAOYSA-N	0	1	234.303	0.594	20	30		BCEDMN
CC#CCN1CCC(N(C)C(C)=O)CC1	ZINC000159661988	384456124	/nfs/dbraw/zinc/45/61/24/384456124.db2.gz	IGQQAHLWKIZGNQ-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCOc1cccnc1C(=O)N1CCNCC1	ZINC000236679232	384556721	/nfs/dbraw/zinc/55/67/21/384556721.db2.gz	RSTNZZCSKBVPBM-UHFFFAOYSA-N	0	1	247.298	0.692	20	30		BCEDMN
N#CCCCN1CCSC[C@H]1CO	ZINC000308394830	384660150	/nfs/dbraw/zinc/66/01/50/384660150.db2.gz	CTLISABVBUBFEC-SECBINFHSA-N	0	1	200.307	0.700	20	30		BCEDMN
C=C(C)CS(=O)(=O)N1CC[C@@H]2CN(C)C[C@H]21	ZINC000644302811	384817147	/nfs/dbraw/zinc/81/71/47/384817147.db2.gz	SSHQHUOHVXYXAL-GHMZBOCLSA-N	0	1	244.360	0.528	20	30		BCEDMN
C#CCN(C)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000191013813	384820524	/nfs/dbraw/zinc/82/05/24/384820524.db2.gz	CNOWEVZIOPJKOR-SECBINFHSA-N	0	1	217.272	0.921	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ncn[nH]1	ZINC000087444099	384793318	/nfs/dbraw/zinc/79/33/18/384793318.db2.gz	QVDIXTSBEGRLKR-BQBZGAKWSA-N	0	1	205.221	0.227	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1nc[nH]n1	ZINC000087444099	384793327	/nfs/dbraw/zinc/79/33/27/384793327.db2.gz	QVDIXTSBEGRLKR-BQBZGAKWSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=CCC[C@@H](CO)NS(=O)(=O)c1ncc[nH]1	ZINC000316301759	384952894	/nfs/dbraw/zinc/95/28/94/384952894.db2.gz	JNHAHFCISKXSPW-QMMMGPOBSA-N	0	1	245.304	0.015	20	30		BCEDMN
CS(=O)(=O)CCNCc1ccc(C#N)s1	ZINC000135498277	384980236	/nfs/dbraw/zinc/98/02/36/384980236.db2.gz	FUOVQPWZZQWHLU-UHFFFAOYSA-N	0	1	244.341	0.754	20	30		BCEDMN
C#C[C@H](CC)NS(=O)(=O)CCN(CC)CC	ZINC000491483930	384991226	/nfs/dbraw/zinc/99/12/26/384991226.db2.gz	FSXMESROCCKYGZ-LLVKDONJSA-N	0	1	246.376	0.659	20	30		BCEDMN
CC[N@H+](C)CCNC(=O)c1ccc(C#N)c([O-])c1	ZINC000188489303	385038048	/nfs/dbraw/zinc/03/80/48/385038048.db2.gz	GUSSJTIGIWZNIY-UHFFFAOYSA-N	0	1	247.298	0.945	20	30		BCEDMN
CC[N@@H+](C)CCNC(=O)c1ccc(C#N)c([O-])c1	ZINC000188489303	385038059	/nfs/dbraw/zinc/03/80/59/385038059.db2.gz	GUSSJTIGIWZNIY-UHFFFAOYSA-N	0	1	247.298	0.945	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)c1cncc([O-])c1	ZINC000293919310	533106746	/nfs/dbraw/zinc/10/67/46/533106746.db2.gz	GQSLRWOYSNUZMU-UHFFFAOYSA-N	0	1	247.298	0.472	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1cncc([O-])c1	ZINC000293919310	533106747	/nfs/dbraw/zinc/10/67/47/533106747.db2.gz	GQSLRWOYSNUZMU-UHFFFAOYSA-N	0	1	247.298	0.472	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCOC[C@@H]1C[C@@H](C)O	ZINC000157362007	385152223	/nfs/dbraw/zinc/15/22/23/385152223.db2.gz	SAKRWOMKZLNADX-FRRDWIJNSA-N	0	1	243.347	0.785	20	30		BCEDMN
CCN(CCOCCO)Cc1ccc(C#N)o1	ZINC000282705677	385164503	/nfs/dbraw/zinc/16/45/03/385164503.db2.gz	KEQJMYBDCZTWCL-UHFFFAOYSA-N	0	1	238.287	0.982	20	30		BCEDMN
CCC1CCN(CC(=O)NCC#N)CC1	ZINC000108855042	385245249	/nfs/dbraw/zinc/24/52/49/385245249.db2.gz	FZUXMJZJPTUZHA-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cccc(C#N)n3)C[C@@H]21	ZINC000407995703	385337125	/nfs/dbraw/zinc/33/71/25/385337125.db2.gz	IULCJMRLAGUISP-RYUDHWBXSA-N	0	1	244.298	0.472	20	30		BCEDMN
C[C@@H](CNC(=O)c1cnn[nH]1)C[C@H](C)O	ZINC000330850974	385543230	/nfs/dbraw/zinc/54/32/30/385543230.db2.gz	FDRSZXIHPVWXBA-RQJHMYQMSA-N	0	1	212.253	0.516	20	30		BCEDMN
CC(C)OC[C@H](O)CN1CC[C@@](O)(CC#N)C1	ZINC000592146259	385567842	/nfs/dbraw/zinc/56/78/42/385567842.db2.gz	ASSXSFWZIKEGLS-NEPJUHHUSA-N	0	1	242.319	0.123	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NC1(C#N)CCOCC1	ZINC000408175332	385611730	/nfs/dbraw/zinc/61/17/30/385611730.db2.gz	SIFQMZLBTUGSHT-JTQLQIEISA-N	0	1	237.303	0.270	20	30		BCEDMN
N#CCCS(=O)(=O)N1CCN2CCC[C@@H]2C1	ZINC000408192771	385673232	/nfs/dbraw/zinc/67/32/32/385673232.db2.gz	PCRUTEKOFWRRQJ-SNVBAGLBSA-N	0	1	243.332	0.010	20	30		BCEDMN
Cc1oc(C#N)cc1C(=O)N1CC(N(C)C)C1	ZINC000280995158	385683893	/nfs/dbraw/zinc/68/38/93/385683893.db2.gz	FHBLJEYWXJAPJJ-UHFFFAOYSA-N	0	1	233.271	0.846	20	30		BCEDMN
C[C@@H]1CN(c2nccc(C#N)n2)[C@@H](C)CN1C	ZINC000408455805	385689811	/nfs/dbraw/zinc/68/98/11/385689811.db2.gz	FIFZYTKOMFKAHY-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
CC#CCCNS(=O)(=O)c1ncc[nH]1	ZINC000308471422	385712320	/nfs/dbraw/zinc/71/23/20/385712320.db2.gz	IDQFEGFXGYHNIB-UHFFFAOYSA-N	0	1	213.262	0.101	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)CCCc1nn[nH]n1	ZINC000602095097	385765946	/nfs/dbraw/zinc/76/59/46/385765946.db2.gz	ZDIOGFYOWAUGQR-MRVPVSSYSA-N	0	1	236.279	0.283	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(C)(CO)CC1	ZINC000186944239	385818933	/nfs/dbraw/zinc/81/89/33/385818933.db2.gz	ONBAMXXVLQWGHY-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
C[C@@H]1CN(CCn2ccnc2)C[C@H](C)N1CC#N	ZINC000602854182	385828146	/nfs/dbraw/zinc/82/81/46/385828146.db2.gz	NXHIZNLEJUYHKU-BETUJISGSA-N	0	1	247.346	0.801	20	30		BCEDMN
C=CCn1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)nn1	ZINC000647805169	385843976	/nfs/dbraw/zinc/84/39/76/385843976.db2.gz	AFYWUFXGUGBZRP-NXEZZACHSA-N	0	1	249.318	0.287	20	30		BCEDMN
C[C@H](NCC(N)=O)c1ccc(C#N)cc1	ZINC000022215173	385898704	/nfs/dbraw/zinc/89/87/04/385898704.db2.gz	RWYVHAZVDOHHEY-QMMMGPOBSA-N	0	1	203.245	0.694	20	30		BCEDMN
C#CCN1CCC[C@@H](N2CCNC2=O)C1	ZINC000368807184	533151990	/nfs/dbraw/zinc/15/19/90/533151990.db2.gz	VVZSBSZREWCIMI-SNVBAGLBSA-N	0	1	207.277	0.109	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](CO)OC(C)(C)C1	ZINC000643253317	385986900	/nfs/dbraw/zinc/98/69/00/385986900.db2.gz	JKWIKOQRCHNWBQ-QWRGUYRKSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=CCN(CCOC)S(=O)(=O)c1ncc[nH]1	ZINC000309204488	385989949	/nfs/dbraw/zinc/98/99/49/385989949.db2.gz	CDXCVFCVHBCKBO-UHFFFAOYSA-N	0	1	245.304	0.233	20	30		BCEDMN
CNC(=O)CNCc1cc(C#N)cs1	ZINC000086500137	386162627	/nfs/dbraw/zinc/16/26/27/386162627.db2.gz	AMINRMIOQDJAHH-UHFFFAOYSA-N	0	1	209.274	0.455	20	30		BCEDMN
C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000571702188	386208641	/nfs/dbraw/zinc/20/86/41/386208641.db2.gz	DWIABEHMHFIFEL-SSDOTTSWSA-N	0	1	243.288	0.167	20	30		BCEDMN
N#Cc1cncnc1NCc1n[nH]c(C2CC2)n1	ZINC000571794142	386214173	/nfs/dbraw/zinc/21/41/73/386214173.db2.gz	KEBMISZFTBJMCZ-UHFFFAOYSA-N	0	1	241.258	0.378	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2ncn[nH]2)C1	ZINC000424969118	386259042	/nfs/dbraw/zinc/25/90/42/386259042.db2.gz	ZEEPICJSFXGNIF-NKWVEPMBSA-N	0	1	205.221	0.227	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)C1	ZINC000424969118	386259044	/nfs/dbraw/zinc/25/90/44/386259044.db2.gz	ZEEPICJSFXGNIF-NKWVEPMBSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC(=O)NCCC	ZINC000181252565	386340592	/nfs/dbraw/zinc/34/05/92/386340592.db2.gz	CRFUSPIPGPOOLY-UHFFFAOYSA-N	0	1	227.308	0.730	20	30		BCEDMN
C#CCNC(=O)N1CCN(CC2CC2)CC1	ZINC000120507824	533168838	/nfs/dbraw/zinc/16/88/38/533168838.db2.gz	HMTXQAKYLMAECN-UHFFFAOYSA-N	0	1	221.304	0.357	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)c1cccnc1	ZINC000519424450	386439272	/nfs/dbraw/zinc/43/92/72/386439272.db2.gz	ZTCCDBQKEBVHBO-SCZZXKLOSA-N	0	1	247.254	0.572	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CC)C[C@@H]1CC	ZINC000451725810	386459087	/nfs/dbraw/zinc/45/90/87/386459087.db2.gz	PHNSDRTUEAKBCO-LBPRGKRZSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)Nc1nnc(C)[nH]1	ZINC000519743464	386548764	/nfs/dbraw/zinc/54/87/64/386548764.db2.gz	MDYJFTFGPAMULU-SFYZADRCSA-N	0	1	222.248	0.643	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(CCC)CCO	ZINC000049825295	386655622	/nfs/dbraw/zinc/65/56/22/386655622.db2.gz	QMYISMMAEUIWOI-UHFFFAOYSA-N	0	1	240.347	0.891	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1	ZINC000425555653	386627154	/nfs/dbraw/zinc/62/71/54/386627154.db2.gz	YLSFHNVHZGIDBN-ZJUUUORDSA-N	0	1	249.318	0.285	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@H](c2nnc[nH]2)C1	ZINC000425555653	386627159	/nfs/dbraw/zinc/62/71/59/386627159.db2.gz	YLSFHNVHZGIDBN-ZJUUUORDSA-N	0	1	249.318	0.285	20	30		BCEDMN
N#C[C@H]1CC[C@@H](N2CCn3c(n[nH]c3=O)C2)C1	ZINC000328846737	386631630	/nfs/dbraw/zinc/63/16/30/386631630.db2.gz	QPKXURKMJFTAHC-DTWKUNHWSA-N	0	1	233.275	0.492	20	30		BCEDMN
O=C(NCCn1cncn1)N1CC[C@H](C2CC2)C1	ZINC000328912962	386651686	/nfs/dbraw/zinc/65/16/86/386651686.db2.gz	HSDZWNWKGSJEJL-NSHDSACASA-N	0	1	249.318	0.924	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@H]1CCCCO1	ZINC000328657994	386604523	/nfs/dbraw/zinc/60/45/23/386604523.db2.gz	QEVCWRLCDMFOTE-LLVKDONJSA-N	0	1	241.335	0.765	20	30		BCEDMN
CNC(=O)N[C@H]1CCN(CCOCC(C)C)C1	ZINC000330411102	386706174	/nfs/dbraw/zinc/70/61/74/386706174.db2.gz	RUPVUOGFAGRQKV-NSHDSACASA-N	0	1	243.351	0.867	20	30		BCEDMN
C#CCOc1ccc(CNCC(=O)N(C)C)cc1	ZINC000113314109	533190074	/nfs/dbraw/zinc/19/00/74/533190074.db2.gz	KAPQOTBRKKFERF-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
CN(CC1(C#N)CC1)CC1(O)CCOCC1	ZINC000408442005	386753320	/nfs/dbraw/zinc/75/33/20/386753320.db2.gz	HKYPAKSTYZZEPA-UHFFFAOYSA-N	0	1	224.304	0.763	20	30		BCEDMN
CNC(=O)NC(=O)CCN1CCC[C@@H]1C(N)=O	ZINC000330448180	386742386	/nfs/dbraw/zinc/74/23/86/386742386.db2.gz	YXZIYTSKQIUDBL-SSDOTTSWSA-N	0	1	242.279	0.036	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H](C)CN(C)C	ZINC000344895216	386796032	/nfs/dbraw/zinc/79/60/32/386796032.db2.gz	DEXGMECLINJRKL-VIFPVBQESA-N	0	1	220.338	0.432	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000330536713	386780170	/nfs/dbraw/zinc/78/01/70/386780170.db2.gz	FGBQFKYPCXMHEK-SECBINFHSA-N	0	1	247.302	0.672	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000330536713	386780176	/nfs/dbraw/zinc/78/01/76/386780176.db2.gz	FGBQFKYPCXMHEK-SECBINFHSA-N	0	1	247.302	0.672	20	30		BCEDMN
CC[C@H]1CN(CC)CCN1C(=O)CC#N	ZINC000334773926	386824978	/nfs/dbraw/zinc/82/49/78/386824978.db2.gz	WJCFBTICKUQDOC-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
C=CCCS(=O)(=O)N[C@H](C)CN(C)C	ZINC000344909718	386801815	/nfs/dbraw/zinc/80/18/15/386801815.db2.gz	MMWPFZSNLQVTMP-SECBINFHSA-N	0	1	220.338	0.432	20	30		BCEDMN
N#C[C@H]1CN(C(=O)NCCn2ccnc2)CCO1	ZINC000330642645	386808493	/nfs/dbraw/zinc/80/84/93/386808493.db2.gz	FCXCDPLJTXWAOJ-JTQLQIEISA-N	0	1	249.274	0.021	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C[C@@H](O)CCC)C1=O	ZINC000450909853	386828825	/nfs/dbraw/zinc/82/88/25/386828825.db2.gz	UGQHXMLONKHDQN-RYUDHWBXSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CC[C@H](CO)C1	ZINC000051886736	386870434	/nfs/dbraw/zinc/87/04/34/386870434.db2.gz	IAMCIHPDGVVRQX-LBPRGKRZSA-N	0	1	238.331	0.501	20	30		BCEDMN
CC(C)N1CCN(C(=O)NC[C@@H](C)C#N)CC1	ZINC000334863015	386917373	/nfs/dbraw/zinc/91/73/73/386917373.db2.gz	SRIIKWVUJRCNQS-NSHDSACASA-N	0	1	238.335	0.882	20	30		BCEDMN
C#CC[C@@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000368205400	533204714	/nfs/dbraw/zinc/20/47/14/533204714.db2.gz	OZYHZUKQRRZQGW-ZJUUUORDSA-N	0	1	246.314	0.978	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NCC1(C#N)CCC1	ZINC000334897567	386970720	/nfs/dbraw/zinc/97/07/20/386970720.db2.gz	JGCRSIRDEYDOIY-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCn1cc(CNC2CC(OC)C2)nn1	ZINC000425358803	386974880	/nfs/dbraw/zinc/97/48/80/386974880.db2.gz	USCFZFOFTHZCDV-UHFFFAOYSA-N	0	1	222.292	0.731	20	30		BCEDMN
C#CCN1CCC(Oc2cnccn2)CC1	ZINC000369624334	387058975	/nfs/dbraw/zinc/05/89/75/387058975.db2.gz	XLPBKZLNPAHWED-UHFFFAOYSA-N	0	1	217.272	0.953	20	30		BCEDMN
CC1(C)CN(C(=O)NCCCC#N)CCN1	ZINC000334949592	387112049	/nfs/dbraw/zinc/11/20/49/387112049.db2.gz	GLRBTYVARHKZHG-UHFFFAOYSA-N	0	1	224.308	0.684	20	30		BCEDMN
N#CCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000334949064	387113068	/nfs/dbraw/zinc/11/30/68/387113068.db2.gz	CSUZXVCQYYTKOL-PHIMTYICSA-N	0	1	236.319	0.826	20	30		BCEDMN
C=C(CC)CNC(=O)N1CCN[C@@H](C)C1	ZINC000334950501	387114461	/nfs/dbraw/zinc/11/44/61/387114461.db2.gz	YRJKZBBBFOBIRH-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CCCC(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000273491937	387455744	/nfs/dbraw/zinc/45/57/44/387455744.db2.gz	KRNLTEQHUZERQL-QMMMGPOBSA-N	0	1	223.280	0.728	20	30		BCEDMN
C=C(CC)CNS(=O)(=O)c1ncc[nH]1	ZINC000313484363	387390006	/nfs/dbraw/zinc/39/00/06/387390006.db2.gz	QDVIGBFVEHVTID-UHFFFAOYSA-N	0	1	215.278	0.654	20	30		BCEDMN
C#C[C@H](C)N[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000274844856	387496060	/nfs/dbraw/zinc/49/60/60/387496060.db2.gz	XGXQMUPHPKNJQS-CABZTGNLSA-N	0	1	234.274	0.833	20	30		BCEDMN
C=C(C)CCN1CCC[C@H](O)[C@H]1C(=O)OC	ZINC000275679323	387512691	/nfs/dbraw/zinc/51/26/91/387512691.db2.gz	ZSLJWEHLJTVNNC-QWRGUYRKSA-N	0	1	227.304	0.951	20	30		BCEDMN
CC#CC(=O)NCCCCN1CCOCC1	ZINC000277528663	387536609	/nfs/dbraw/zinc/53/66/09/387536609.db2.gz	UMBQRGWZGGCHMJ-UHFFFAOYSA-N	0	1	224.304	0.238	20	30		BCEDMN
C=CCCn1cc(C(=O)N2CCNC[C@@H]2C)nn1	ZINC000424058348	387472784	/nfs/dbraw/zinc/47/27/84/387472784.db2.gz	KURFFAAXIGBAOZ-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
C=CCCn1cc(C(=O)N2CCN[C@@H](C)C2)nn1	ZINC000424081003	387482017	/nfs/dbraw/zinc/48/20/17/387482017.db2.gz	USBRRMFBPVTVSM-JTQLQIEISA-N	0	1	249.318	0.288	20	30		BCEDMN
N#Cc1ncn(CCNCc2ccccn2)n1	ZINC000353048621	387555335	/nfs/dbraw/zinc/55/53/35/387555335.db2.gz	QMWFERZLZSEESI-UHFFFAOYSA-N	0	1	228.259	0.335	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)CN(C)CCCO	ZINC000440948311	387717184	/nfs/dbraw/zinc/71/71/84/387717184.db2.gz	LTQOIYAFDFMJFG-LLVKDONJSA-N	0	1	241.335	0.309	20	30		BCEDMN
C=CCn1cc(CN[C@H]2CCO[C@@H]2C)nn1	ZINC000424172093	387864222	/nfs/dbraw/zinc/86/42/22/387864222.db2.gz	NHYFSDAMPAANLA-KOLCDFICSA-N	0	1	222.292	0.731	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CCO[C@H]2C)nn1	ZINC000424172091	387864405	/nfs/dbraw/zinc/86/44/05/387864405.db2.gz	NHYFSDAMPAANLA-GXSJLCMTSA-N	0	1	222.292	0.731	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN1C	ZINC000452922657	387939688	/nfs/dbraw/zinc/93/96/88/387939688.db2.gz	DOZGGJZAAJIJAH-VWYCJHECSA-N	0	1	224.304	0.540	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN1C	ZINC000452922656	387939960	/nfs/dbraw/zinc/93/99/60/387939960.db2.gz	DOZGGJZAAJIJAH-MXWKQRLJSA-N	0	1	224.304	0.540	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CN(CC)C1CC1	ZINC000452924832	387940096	/nfs/dbraw/zinc/94/00/96/387940096.db2.gz	OKWSMESCWCGFIM-NEPJUHHUSA-N	0	1	238.331	0.930	20	30		BCEDMN
CNC(=O)CNC1CC(C#N)(c2ccccc2)C1	ZINC000086036669	388099008	/nfs/dbraw/zinc/09/90/08/388099008.db2.gz	YATXRDWLDADPJB-UHFFFAOYSA-N	0	1	243.310	0.946	20	30		BCEDMN
C=CC[C@H](CO)CNCc1nccnc1OC	ZINC000449212086	388157570	/nfs/dbraw/zinc/15/75/70/388157570.db2.gz	ZCEPZEOKIGGXGO-JTQLQIEISA-N	0	1	237.303	0.759	20	30		BCEDMN
C#CCN(CC)S(=O)(=O)CCN1CCCC1	ZINC000490741557	388251111	/nfs/dbraw/zinc/25/11/11/388251111.db2.gz	SOXLTIPACPJHAS-UHFFFAOYSA-N	0	1	244.360	0.367	20	30		BCEDMN
Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)C#N)n[nH]1	ZINC000488996001	388201041	/nfs/dbraw/zinc/20/10/41/388201041.db2.gz	KCPWJXIRYFTDSM-JGVFFNPUSA-N	0	1	220.276	0.925	20	30		BCEDMN
C[C@H](NCC(N)=O)c1cccc(C#N)c1	ZINC000037183984	388210247	/nfs/dbraw/zinc/21/02/47/388210247.db2.gz	QUOXXQIHUYGPQL-QMMMGPOBSA-N	0	1	203.245	0.694	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)[C@H]1CC1(C)C	ZINC000489459433	388215866	/nfs/dbraw/zinc/21/58/66/388215866.db2.gz	SZXJIUAZMDYWJK-VIFPVBQESA-N	0	1	239.319	0.729	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000456762700	388219052	/nfs/dbraw/zinc/21/90/52/388219052.db2.gz	CICRFORVBQAHFN-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CN(CC)C1CC1	ZINC000456778478	388221507	/nfs/dbraw/zinc/22/15/07/388221507.db2.gz	OKXVMEBLSDHLJT-NSHDSACASA-N	0	1	240.347	0.914	20	30		BCEDMN
Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)[nH]n1	ZINC000518300102	256567453	/nfs/dbraw/zinc/56/74/53/256567453.db2.gz	LMHGLCZXTILJSV-UHFFFAOYSA-N	0	1	247.302	0.436	20	30		BCEDMN
C#CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000490657627	388246548	/nfs/dbraw/zinc/24/65/48/388246548.db2.gz	XMEUIIGHHDJZKP-NSHDSACASA-N	0	1	221.304	0.498	20	30		BCEDMN
C#CCNC(=O)N1CCN([C@@H](C)CC)CC1	ZINC000491371186	388289030	/nfs/dbraw/zinc/28/90/30/388289030.db2.gz	DAYQFTWMTACCLU-NSHDSACASA-N	0	1	223.320	0.745	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@@H](C)CN1CCOCC1	ZINC000491384120	388290885	/nfs/dbraw/zinc/29/08/85/388290885.db2.gz	NNHHESIJOMJQCJ-RYUDHWBXSA-N	0	1	238.331	0.435	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CC(C)=C[C@H](C)C2)C1=O	ZINC000491427318	388293685	/nfs/dbraw/zinc/29/36/85/388293685.db2.gz	KHDOGVWVUMGORO-JQWIXIFHSA-N	0	1	246.310	0.645	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)COc1ccccc1	ZINC000491453911	388295703	/nfs/dbraw/zinc/29/57/03/388295703.db2.gz	UKTSRKWHLIAQOL-NWDGAFQWSA-N	0	1	235.283	0.010	20	30		BCEDMN
CN(CC(=O)NCC#N)[C@H](CO)CC(C)(C)C	ZINC000451785837	388295995	/nfs/dbraw/zinc/29/59/95/388295995.db2.gz	VTZPWZGKPPUZMS-JTQLQIEISA-N	0	1	241.335	0.355	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1ccccc1F	ZINC000491473575	388297053	/nfs/dbraw/zinc/29/70/53/388297053.db2.gz	FPLXSSGPLYUTEH-CABZTGNLSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)COc1cccc(C)c1	ZINC000491484990	388298098	/nfs/dbraw/zinc/29/80/98/388298098.db2.gz	MERLHMTWAHMBDY-STQMWFEESA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)COC(F)F	ZINC000491497159	388299384	/nfs/dbraw/zinc/29/93/84/388299384.db2.gz	VZILKHLQVJFJSQ-SECBINFHSA-N	0	1	247.241	0.866	20	30		BCEDMN
C#CCN1CCC(C(=O)NO[C@@H](C)C=C)CC1	ZINC000491497700	388299430	/nfs/dbraw/zinc/29/94/30/388299430.db2.gz	ZJKACZKIXMEAJJ-NSHDSACASA-N	0	1	236.315	0.954	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccc(C)cc1	ZINC000491525632	388301488	/nfs/dbraw/zinc/30/14/88/388301488.db2.gz	TYGRKXGROWDYAM-QWHCGFSZSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1ccc(C)cc1	ZINC000491525630	388301591	/nfs/dbraw/zinc/30/15/91/388301591.db2.gz	TYGRKXGROWDYAM-CHWSQXEVSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CSc1nnc(C)[nH]1	ZINC000491626851	388305773	/nfs/dbraw/zinc/30/57/73/388305773.db2.gz	MVCARAPDNJLTTN-QMMMGPOBSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)CSc1nc(C)n[nH]1	ZINC000491626851	388305774	/nfs/dbraw/zinc/30/57/74/388305774.db2.gz	MVCARAPDNJLTTN-QMMMGPOBSA-N	0	1	238.316	0.733	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)CCc1nc[nH]n1	ZINC000491677190	388310170	/nfs/dbraw/zinc/31/01/70/388310170.db2.gz	XTNVZJFVBAYOOP-VIFPVBQESA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000491689539	388310863	/nfs/dbraw/zinc/31/08/63/388310863.db2.gz	IWKOAUYYUGSIEK-SSDOTTSWSA-N	0	1	236.231	0.850	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000491689541	388310871	/nfs/dbraw/zinc/31/08/71/388310871.db2.gz	IWKOAUYYUGSIEK-ZETCQYMHSA-N	0	1	236.231	0.850	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccccc1C	ZINC000491691142	388311258	/nfs/dbraw/zinc/31/12/58/388311258.db2.gz	DERULLHHFYTANU-WCQYABFASA-N	0	1	219.284	0.612	20	30		BCEDMN
C#CCN(C)CCCNC(=O)c1cc(C=O)c[nH]1	ZINC000491716951	388314302	/nfs/dbraw/zinc/31/43/02/388314302.db2.gz	VFSDHHWBGMTOPJ-UHFFFAOYSA-N	0	1	247.298	0.512	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccc(F)cc1	ZINC000491735403	388316054	/nfs/dbraw/zinc/31/60/54/388316054.db2.gz	UCDNTMPYXSICJM-NWDGAFQWSA-N	0	1	223.247	0.443	20	30		BCEDMN
C#CCN(CC#CC)CCCC(=O)NC	ZINC000491747909	388317200	/nfs/dbraw/zinc/31/72/00/388317200.db2.gz	NUYGRMXEOUVWQE-UHFFFAOYSA-N	0	1	206.289	0.471	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CN1CCN(CC)CC1	ZINC000491775158	388319695	/nfs/dbraw/zinc/31/96/95/388319695.db2.gz	WSLKQDBCEITHGT-GFCCVEGCSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCN(C(=O)[C@H](C)N1CC(C)C1)C1CC1	ZINC000491804556	388321757	/nfs/dbraw/zinc/32/17/57/388321757.db2.gz	LYHDOAAONYZZIE-NSHDSACASA-N	0	1	220.316	0.951	20	30		BCEDMN
C#CCN(CC#C)C[C@@H]1CCCNC1=O	ZINC000491818136	388323491	/nfs/dbraw/zinc/32/34/91/388323491.db2.gz	XKMBWXHRKVLTOA-NSHDSACASA-N	0	1	204.273	0.081	20	30		BCEDMN
C#CCN(CC#N)C(=O)CCc1cnc[nH]1	ZINC000491014487	388264586	/nfs/dbraw/zinc/26/45/86/388264586.db2.gz	QNJFMLIVWMJNFJ-UHFFFAOYSA-N	0	1	216.244	0.328	20	30		BCEDMN
C#CCN(CC#N)C(=O)CN(CC)C1CC1	ZINC000491012531	388265136	/nfs/dbraw/zinc/26/51/36/388265136.db2.gz	DGCMJZYXTBFYOT-UHFFFAOYSA-N	0	1	219.288	0.456	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000491121441	388271180	/nfs/dbraw/zinc/27/11/80/388271180.db2.gz	QYBPQRGGHSGENE-NWDGAFQWSA-N	0	1	237.347	0.150	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)NCCCc2nc[nH]n2)c1	ZINC000549793201	388404278	/nfs/dbraw/zinc/40/42/78/388404278.db2.gz	MOVSFUOMLCCUHQ-UHFFFAOYSA-N	0	1	244.258	0.367	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2nnc[nH]2)cc1O	ZINC000442622951	388357293	/nfs/dbraw/zinc/35/72/93/388357293.db2.gz	ORVZNICARZMERC-UHFFFAOYSA-N	0	1	243.226	0.312	20	30		BCEDMN
C=CCNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000646581331	388389422	/nfs/dbraw/zinc/38/94/22/388389422.db2.gz	ANUNQDNEPPNXCG-ZETCQYMHSA-N	0	1	206.249	0.527	20	30		BCEDMN
COCCN(CC#N)C(=O)CN1CC[C@H](C)C1	ZINC000515433680	256745452	/nfs/dbraw/zinc/74/54/52/256745452.db2.gz	XNDNPEBCKTYVMI-NSHDSACASA-N	0	1	239.319	0.327	20	30		BCEDMN
N#C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CCOC1	ZINC000547811518	388486190	/nfs/dbraw/zinc/48/61/90/388486190.db2.gz	SSNUUHWKAJXPCM-GFCCVEGCSA-N	0	1	246.270	0.311	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCC[C@@H](NC(=O)CC)C1	ZINC000649273268	388487584	/nfs/dbraw/zinc/48/75/84/388487584.db2.gz	VWAORZRUZYJXGW-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC#CCNC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000135625679	388502272	/nfs/dbraw/zinc/50/22/72/388502272.db2.gz	UHWZNHKUASGCIS-SNVBAGLBSA-N	0	1	209.293	0.403	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H]([C@@H](C)O)C1	ZINC000136318965	388530580	/nfs/dbraw/zinc/53/05/80/388530580.db2.gz	IOOAUZYVMVMBQN-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
Cc1cc(CNC(=O)c2ccnc(C#N)c2)n[nH]1	ZINC000619436454	388605004	/nfs/dbraw/zinc/60/50/04/388605004.db2.gz	LZYMXMALBPEDGE-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CN1CCCN(C(=O)c2ccc(C#N)cn2)CC1	ZINC000107780427	388605961	/nfs/dbraw/zinc/60/59/61/388605961.db2.gz	QHHJRGNHZMFNCL-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
Cn1ncc(C(=O)Nc2ncccc2O)c1C#N	ZINC000356724636	388608360	/nfs/dbraw/zinc/60/83/60/388608360.db2.gz	CTXRQMGIQHEXFW-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1cc(C#N)ccn1	ZINC000598161300	388561430	/nfs/dbraw/zinc/56/14/30/388561430.db2.gz	QJGMKZSDQBUIGR-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
COCC#CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528782972	388572750	/nfs/dbraw/zinc/57/27/50/388572750.db2.gz	JVNULBRLMAYDHL-BFQNTYOBSA-N	0	1	241.356	0.622	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1	ZINC000528925636	388584066	/nfs/dbraw/zinc/58/40/66/388584066.db2.gz	VXAXUQSSKRCRKM-JZKKDOLYSA-N	0	1	220.272	0.733	20	30		BCEDMN
C#CC[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1	ZINC000192224634	388677094	/nfs/dbraw/zinc/67/70/94/388677094.db2.gz	RPHAOLIXLARALA-NEPJUHHUSA-N	0	1	227.304	0.108	20	30		BCEDMN
COC(=O)[C@@H](CC(F)F)NC(=O)C(C)C#N	ZINC000342532664	135280092	/nfs/dbraw/zinc/28/00/92/135280092.db2.gz	YYZILTRSVRENQF-NTSWFWBYSA-N	0	1	234.202	0.459	20	30		BCEDMN
CC1(C)CC(Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000530112406	388711954	/nfs/dbraw/zinc/71/19/54/388711954.db2.gz	GOXQTRXFXSWGBK-UHFFFAOYSA-N	0	1	233.271	0.844	20	30		BCEDMN
Cc1n[nH]c(C(=O)NC2(C#N)CC2)c1C	ZINC000523160263	388805137	/nfs/dbraw/zinc/80/51/37/388805137.db2.gz	VYEXVASXUCMEDY-UHFFFAOYSA-N	0	1	204.233	0.813	20	30		BCEDMN
C[C@H]1CN(CCCCC#N)C[C@@H](CO)O1	ZINC000229962766	388805955	/nfs/dbraw/zinc/80/59/55/388805955.db2.gz	AOBMXPPSHVKFSH-QWRGUYRKSA-N	0	1	212.293	0.762	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](OC)C1	ZINC000251920387	388758287	/nfs/dbraw/zinc/75/82/87/388758287.db2.gz	SIURKLSFNPOYBO-GRYCIOLGSA-N	0	1	238.331	0.481	20	30		BCEDMN
CN(C)C1CN(C(=O)c2cnccc2C#N)C1	ZINC000332019942	388784217	/nfs/dbraw/zinc/78/42/17/388784217.db2.gz	VMYNCWFNNZEJMT-UHFFFAOYSA-N	0	1	230.271	0.339	20	30		BCEDMN
CN(CCOCCO)Cc1cc(C#N)n(C)c1	ZINC000282656730	388818371	/nfs/dbraw/zinc/81/83/71/388818371.db2.gz	GLINEMOKGXDMMY-UHFFFAOYSA-N	0	1	237.303	0.337	20	30		BCEDMN
N#Cc1c[nH]c(=O)n([C@H]2C=CCCC2)c1=O	ZINC000335479554	388830512	/nfs/dbraw/zinc/83/05/12/388830512.db2.gz	RMFDSQNUTHQMIW-VIFPVBQESA-N	0	1	217.228	0.689	20	30		BCEDMN
CC(C)N(CCOCCC#N)CC(N)=O	ZINC000338892288	135429369	/nfs/dbraw/zinc/42/93/69/135429369.db2.gz	NCYYVENWJUVIKM-UHFFFAOYSA-N	0	1	213.281	0.112	20	30		BCEDMN
CC(C)COC[C@H](O)CNC[C@H](C)C#N	ZINC000564857764	388895455	/nfs/dbraw/zinc/89/54/55/388895455.db2.gz	YBFJEQBAHOEIEX-GHMZBOCLSA-N	0	1	214.309	0.769	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)CO[C@@H](C)COC	ZINC000565489039	388948948	/nfs/dbraw/zinc/94/89/48/388948948.db2.gz	KGVKEURMRTVGIV-TUAOUCFPSA-N	0	1	244.335	0.681	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC1CCOCC1	ZINC000181255895	533494465	/nfs/dbraw/zinc/49/44/65/533494465.db2.gz	HUDLACXWZGMCJJ-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C[C@H](O)CN1CCN(c2ccnc(C#N)c2)CC1	ZINC000286795229	132215536	/nfs/dbraw/zinc/21/55/36/132215536.db2.gz	KBLQPRRSDDYXDD-NSHDSACASA-N	0	1	246.314	0.456	20	30		BCEDMN
CCN1CCN(c2cnc(C#N)cn2)CC1	ZINC000070942967	132391058	/nfs/dbraw/zinc/39/10/58/132391058.db2.gz	VEIAHSOCUDFXDR-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
Cc1ncc(C(=O)N(CC#N)C2CC2)[nH]1	ZINC000331432688	134000320	/nfs/dbraw/zinc/00/03/20/134000320.db2.gz	DAOQGQMLDDUDJA-UHFFFAOYSA-N	0	1	204.233	0.846	20	30		BCEDMN
C=CCNC(=O)CN1C[C@H](C)N(C)C[C@H]1C	ZINC000351928806	134009582	/nfs/dbraw/zinc/00/95/82/134009582.db2.gz	WFJWQXVUGNQCEK-WDEREUQCSA-N	0	1	225.336	0.313	20	30		BCEDMN
C=C(C)CNS(=O)(=O)CCN(CC)CC	ZINC000352199713	134100005	/nfs/dbraw/zinc/10/00/05/134100005.db2.gz	COWBWLUDPGAELS-UHFFFAOYSA-N	0	1	234.365	0.824	20	30		BCEDMN
C[C@H](C#N)CNC(=O)c1[nH]nc2c1CCC2	ZINC000336146852	134102532	/nfs/dbraw/zinc/10/25/32/134102532.db2.gz	IAIIRXDRSJLQNJ-SSDOTTSWSA-N	0	1	218.260	0.788	20	30		BCEDMN
N#CCNC(=O)c1cc2[nH]cnc2cc1F	ZINC000336342171	134144155	/nfs/dbraw/zinc/14/41/55/134144155.db2.gz	VDVJEJPBHNWZSX-UHFFFAOYSA-N	0	1	218.191	0.955	20	30		BCEDMN
C=C(C)CN1CCC[C@@H](S(N)(=O)=O)C1	ZINC000336385556	134145900	/nfs/dbraw/zinc/14/59/00/134145900.db2.gz	FXSCCSUYUBSNMQ-SECBINFHSA-N	0	1	218.322	0.315	20	30		BCEDMN
CN(CC#N)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000336439559	134147092	/nfs/dbraw/zinc/14/70/92/134147092.db2.gz	KSTICFDELOBLDD-MRVPVSSYSA-N	0	1	218.260	0.812	20	30		BCEDMN
CN(C)CC(=O)NC1(C#N)CCSCC1	ZINC000336446985	134147624	/nfs/dbraw/zinc/14/76/24/134147624.db2.gz	JIZYSOJCGNORBY-UHFFFAOYSA-N	0	1	227.333	0.454	20	30		BCEDMN
CC#CCCNC(=O)Cc1cc(C)n[nH]1	ZINC000354118392	134166804	/nfs/dbraw/zinc/16/68/04/134166804.db2.gz	KCVYSKFSPDCEFN-UHFFFAOYSA-N	0	1	205.261	0.790	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)Nc1n[nH]c(CC)n1	ZINC000355014015	134171383	/nfs/dbraw/zinc/17/13/83/134171383.db2.gz	PPLXNZYHXQBMFR-JTQLQIEISA-N	0	1	224.264	0.633	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)Nc1nc(CC)n[nH]1	ZINC000355014015	134171384	/nfs/dbraw/zinc/17/13/84/134171384.db2.gz	PPLXNZYHXQBMFR-JTQLQIEISA-N	0	1	224.264	0.633	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCN(C)[C@H](C)[C@H]1C	ZINC000355508231	134173624	/nfs/dbraw/zinc/17/36/24/134173624.db2.gz	KBJPANLWRKIVOX-WZRBSPASSA-N	0	1	240.347	0.865	20	30		BCEDMN
C[C@@H](C#N)C(=O)NCCCCN1CCOCC1	ZINC000357819586	134185791	/nfs/dbraw/zinc/18/57/91/134185791.db2.gz	DSXKFZHRTFGVDL-NSHDSACASA-N	0	1	239.319	0.375	20	30		BCEDMN
CC1=CCN(CCNC(=O)[C@H](C)C#N)CC1	ZINC000358072371	134186478	/nfs/dbraw/zinc/18/64/78/134186478.db2.gz	YYURTAYVSOIZSY-LLVKDONJSA-N	0	1	221.304	0.914	20	30		BCEDMN
CCC[C@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000358801432	134192319	/nfs/dbraw/zinc/19/23/19/134192319.db2.gz	DAYZOGBGXAHNHE-YUMQZZPRSA-N	0	1	212.249	0.604	20	30		BCEDMN
CN(C)CC(=O)N1CCC(F)(C#N)CC1	ZINC000359392791	134195010	/nfs/dbraw/zinc/19/50/10/134195010.db2.gz	RLBXUQIAOHVYEL-UHFFFAOYSA-N	0	1	213.256	0.402	20	30		BCEDMN
N#CCCCC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000362815225	134214313	/nfs/dbraw/zinc/21/43/13/134214313.db2.gz	TYIFGMNIPOEDNB-UHFFFAOYSA-N	0	1	248.290	0.779	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCCOCC1	ZINC000363152825	134215339	/nfs/dbraw/zinc/21/53/39/134215339.db2.gz	DHWXBIKGYRXROO-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)=NO1	ZINC000367785275	134216224	/nfs/dbraw/zinc/21/62/24/134216224.db2.gz	QRTCBNJRUIBWDC-DSYKOEDSSA-N	0	1	235.247	0.147	20	30		BCEDMN
C=CCCS(=O)(=O)N(C)C1CCN(C)CC1	ZINC000119244573	134225634	/nfs/dbraw/zinc/22/56/34/134225634.db2.gz	DCKBNOCXLDAMKB-UHFFFAOYSA-N	0	1	246.376	0.918	20	30		BCEDMN
C#CCOCCC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000371055332	134227210	/nfs/dbraw/zinc/22/72/10/134227210.db2.gz	QUPPALJTLJGDGI-NSHDSACASA-N	0	1	247.298	0.943	20	30		BCEDMN
N#CCNC(=O)c1cccc(-c2nnc[nH]2)c1	ZINC000120659307	134230184	/nfs/dbraw/zinc/23/01/84/134230184.db2.gz	JUYQLPFAHADWRP-UHFFFAOYSA-N	0	1	227.227	0.725	20	30		BCEDMN
CSCCN1CCCC[C@H]1/C(N)=N/O	ZINC000122966037	134241947	/nfs/dbraw/zinc/24/19/47/134241947.db2.gz	CWRLTSWRVKFBQS-QMMMGPOBSA-N	0	1	217.338	0.950	20	30		BCEDMN
CCCN(CC#N)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000376878297	134243519	/nfs/dbraw/zinc/24/35/19/134243519.db2.gz	TUXJXNXOQSWYKF-DTWKUNHWSA-N	0	1	233.275	0.670	20	30		BCEDMN
CO/N=C/C(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000377723540	134244715	/nfs/dbraw/zinc/24/47/15/134244715.db2.gz	PGIZLPJLLOQGKA-AWNIVKPZSA-N	0	1	237.263	0.143	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1	ZINC000177516818	134298567	/nfs/dbraw/zinc/29/85/67/134298567.db2.gz	NXJIMESHNGYHGF-OLZOCXBDSA-N	0	1	243.347	0.787	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](COC)C1	ZINC000177544569	134299184	/nfs/dbraw/zinc/29/91/84/134299184.db2.gz	ZORQUELZKPIJKX-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCO[C@@H](COC)C1	ZINC000177544569	134299185	/nfs/dbraw/zinc/29/91/85/134299185.db2.gz	ZORQUELZKPIJKX-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
N#Cc1ccc(CNC[C@H](O)C(F)F)o1	ZINC000226578491	134367020	/nfs/dbraw/zinc/36/70/20/134367020.db2.gz	REYMAQFIRKBUOI-QMMMGPOBSA-N	0	1	216.187	0.867	20	30		BCEDMN
CC#CCCN1CCO[C@]2(CCOC2)C1	ZINC000185132007	134374738	/nfs/dbraw/zinc/37/47/38/134374738.db2.gz	ODRKRYAKUKAICP-GFCCVEGCSA-N	0	1	209.289	0.891	20	30		BCEDMN
Cn1cc(CNCC(=O)NC(C)(C)C)cc1C#N	ZINC000189596846	134548409	/nfs/dbraw/zinc/54/84/09/134548409.db2.gz	KYSIHCWTIAUJAW-UHFFFAOYSA-N	0	1	248.330	0.901	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NCCn1cncn1	ZINC000330363602	134872533	/nfs/dbraw/zinc/87/25/33/134872533.db2.gz	LLYDPRNNAFZIQM-UWVGGRQHSA-N	0	1	205.265	0.560	20	30		BCEDMN
C=CCN1CC[C@H](N[C@H](C)c2cn[nH]c2)C1=O	ZINC000337198997	135005162	/nfs/dbraw/zinc/00/51/62/135005162.db2.gz	DNQAAPUXMMSPKS-KOLCDFICSA-N	0	1	234.303	0.847	20	30		BCEDMN
C=CCOCCCN1CC[C@@H](S(C)(=O)=O)C1	ZINC000337463088	135016883	/nfs/dbraw/zinc/01/68/83/135016883.db2.gz	QSHDWGPTEYVRDE-LLVKDONJSA-N	0	1	247.360	0.698	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCOC[C@H](C)C1	ZINC000338256885	135030732	/nfs/dbraw/zinc/03/07/32/135030732.db2.gz	WKDUQMJJRKDKOT-MNOVXSKESA-N	0	1	226.320	0.645	20	30		BCEDMN
COCCN1CCN(CCOCCC#N)CC1	ZINC000338900087	135046792	/nfs/dbraw/zinc/04/67/92/135046792.db2.gz	OLFBLCXVXCOMKW-UHFFFAOYSA-N	0	1	241.335	0.181	20	30		BCEDMN
CCCN(CCO)CC(=O)N(CC)CCC#N	ZINC000076951693	135053630	/nfs/dbraw/zinc/05/36/30/135053630.db2.gz	GOCHQRSTXIFRRW-UHFFFAOYSA-N	0	1	241.335	0.453	20	30		BCEDMN
CCN(CCO)CC(=O)N(CC)CCC#N	ZINC000076944276	135053801	/nfs/dbraw/zinc/05/38/01/135053801.db2.gz	FVPHDVPXKWZQLJ-UHFFFAOYSA-N	0	1	227.308	0.063	20	30		BCEDMN
C=CCOCCN1CCc2n[nH]nc2C1	ZINC000339117213	135061302	/nfs/dbraw/zinc/06/13/02/135061302.db2.gz	DICRKAWMKGYWOW-UHFFFAOYSA-N	0	1	208.265	0.365	20	30		BCEDMN
C=CCOCCN1CCC[C@](F)(CO)C1	ZINC000339198769	135065399	/nfs/dbraw/zinc/06/53/99/135065399.db2.gz	NQEHIQDTIUMUFS-LLVKDONJSA-N	0	1	217.284	0.985	20	30		BCEDMN
CCN(CCC#N)C(=O)CN(CC)[C@H](C)CO	ZINC000339628133	135076687	/nfs/dbraw/zinc/07/66/87/135076687.db2.gz	REWCFEQMSFLORU-LLVKDONJSA-N	0	1	241.335	0.451	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](C)[C@H](OC)C1	ZINC000251777226	135078090	/nfs/dbraw/zinc/07/80/90/135078090.db2.gz	LFUDBXKZCFCWOT-WDEREUQCSA-N	0	1	226.320	0.645	20	30		BCEDMN
N#Cc1csc(CNC(CO)CO)c1	ZINC000086500345	135088238	/nfs/dbraw/zinc/08/82/38/135088238.db2.gz	TZUBQTUHIJQTFV-UHFFFAOYSA-N	0	1	212.274	0.063	20	30		BCEDMN
CN1CC[NH+]=C1NCc1ncccc1[O-]	ZINC000262673579	135121194	/nfs/dbraw/zinc/12/11/94/135121194.db2.gz	SERQOZGLVZAWDR-UHFFFAOYSA-N	0	1	206.249	0.178	20	30		BCEDMN
CSc1n[nH]c(NC(=O)CSCC#N)n1	ZINC000264179520	135136648	/nfs/dbraw/zinc/13/66/48/135136648.db2.gz	LKQSYGYNMGCAEF-UHFFFAOYSA-N	0	1	243.317	0.722	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCN1C	ZINC000260082420	135146592	/nfs/dbraw/zinc/14/65/92/135146592.db2.gz	QGILLAHVDYYPRE-UWVGGRQHSA-N	0	1	209.293	0.745	20	30		BCEDMN
Cc1cc(CC(=O)N[C@@H](C)CC#N)[nH]n1	ZINC000260061741	135147242	/nfs/dbraw/zinc/14/72/42/135147242.db2.gz	PMWVNBQIUGDVGF-ZETCQYMHSA-N	0	1	206.249	0.679	20	30		BCEDMN
CCc1cc(C(=O)N2CCOC[C@@H]2C#N)n[nH]1	ZINC000267244501	135152484	/nfs/dbraw/zinc/15/24/84/135152484.db2.gz	YINWHLJPUPMMMK-VIFPVBQESA-N	0	1	234.259	0.337	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000340432995	135180869	/nfs/dbraw/zinc/18/08/69/135180869.db2.gz	IXVDLNCKUMWGPA-YUMQZZPRSA-N	0	1	218.260	0.858	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000340432993	135181200	/nfs/dbraw/zinc/18/12/00/135181200.db2.gz	IXVDLNCKUMWGPA-JGVFFNPUSA-N	0	1	218.260	0.858	20	30		BCEDMN
C=CCOCC(=O)N1C[C@H](C)N[C@@H](C)C1	ZINC000261558183	135198530	/nfs/dbraw/zinc/19/85/30/135198530.db2.gz	XYNWOWHNDMGEPN-UWVGGRQHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]1C#N	ZINC000342507952	135285043	/nfs/dbraw/zinc/28/50/43/135285043.db2.gz	ZYWUDCBNTQQXJO-JHJVBQTASA-N	0	1	237.347	0.989	20	30		BCEDMN
C[C@H](C#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000334170966	135318441	/nfs/dbraw/zinc/31/84/41/135318441.db2.gz	BJZHBXCXPFDJIU-ZCFIWIBFSA-N	0	1	204.233	0.540	20	30		BCEDMN
CCc1nc([C@H](C)NC(=O)[C@H](C)C#N)n[nH]1	ZINC000343006218	135344621	/nfs/dbraw/zinc/34/46/21/135344621.db2.gz	YUSDDXSWYRQENI-RQJHMYQMSA-N	0	1	221.264	0.704	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)[C@@H](CC)CO	ZINC000294074041	135377971	/nfs/dbraw/zinc/37/79/71/135377971.db2.gz	KZJUINCKFNCFNM-LBPRGKRZSA-N	0	1	240.347	0.890	20	30		BCEDMN
N#Cc1cccc(C(=O)NCCc2nc[nH]n2)c1	ZINC000080578765	135379585	/nfs/dbraw/zinc/37/95/85/135379585.db2.gz	MBDXIKZKGMWQQY-UHFFFAOYSA-N	0	1	241.254	0.649	20	30		BCEDMN
C#CCC(CC#C)C(=O)N1CC(N(C)C)C1	ZINC000288382207	135598152	/nfs/dbraw/zinc/59/81/52/135598152.db2.gz	IHCYIYPDOPDWBK-UHFFFAOYSA-N	0	1	218.300	0.422	20	30		BCEDMN
O=C(Cc1[nH]nc2ccccc21)NCC#CCO	ZINC000347941960	136019372	/nfs/dbraw/zinc/01/93/72/136019372.db2.gz	ATGJMXWKDUGAJR-UHFFFAOYSA-N	0	1	243.266	0.217	20	30		BCEDMN
C=CCOCCCN1C[C@H](CO)OC[C@H]1C	ZINC000348038551	136028720	/nfs/dbraw/zinc/02/87/20/136028720.db2.gz	CFRBDMJRBHVQFP-VXGBXAGGSA-N	0	1	229.320	0.661	20	30		BCEDMN
Cc1cc(C)n(CCN2CC[C@](O)(CC#N)C2)n1	ZINC000592151778	397944710	/nfs/dbraw/zinc/94/47/10/397944710.db2.gz	RGXPBDFJHUCFBE-CYBMUJFWSA-N	0	1	248.330	0.850	20	30		BCEDMN
C#CCN(C)CCn1cc([N+](=O)[O-])cn1	ZINC000192228266	397891810	/nfs/dbraw/zinc/89/18/10/397891810.db2.gz	PZZQMBBBLDKAQM-UHFFFAOYSA-N	0	1	208.221	0.356	20	30		BCEDMN
CCO[C@@H]1COC[C@H]1NCC#CCOC	ZINC000650242846	398005472	/nfs/dbraw/zinc/00/54/72/398005472.db2.gz	LMFXGMNRCLMVEC-GHMZBOCLSA-N	0	1	213.277	0.030	20	30		BCEDMN
C#CCN(C)C(=O)c1cc(F)cc2nn[nH]c21	ZINC000491146936	398032645	/nfs/dbraw/zinc/03/26/45/398032645.db2.gz	POQHXGWIHVVTNR-UHFFFAOYSA-N	0	1	232.218	0.802	20	30		BCEDMN
C#CCN1C(=O)C[C@H](NCc2ccccc2)C1=O	ZINC000491675196	398059818	/nfs/dbraw/zinc/05/98/18/398059818.db2.gz	YVDATYPKTRUNJN-LBPRGKRZSA-N	0	1	242.278	0.537	20	30		BCEDMN
CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)N(C)C	ZINC000602090821	398067120	/nfs/dbraw/zinc/06/71/20/398067120.db2.gz	SFJPUCLBMGKRQM-ZJUUUORDSA-N	0	1	211.309	0.991	20	30		BCEDMN
Cc1[nH]ncc1CN(C)C(=O)CSCC#N	ZINC000602166412	398068431	/nfs/dbraw/zinc/06/84/31/398068431.db2.gz	HHQYTQAWYOCGKV-UHFFFAOYSA-N	0	1	238.316	0.933	20	30		BCEDMN
C#C[C@H](C)N(C)CCn1nc2ccccn2c1=O	ZINC000491667165	398056536	/nfs/dbraw/zinc/05/65/36/398056536.db2.gz	USOZIUHPPDPCNU-NSHDSACASA-N	0	1	244.298	0.450	20	30		BCEDMN
CN(CCc1ccc(F)cc1)CC(=O)NCC#N	ZINC000066496501	398124064	/nfs/dbraw/zinc/12/40/64/398124064.db2.gz	WSKPJOFVMNKYBD-UHFFFAOYSA-N	0	1	249.289	0.940	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)NCc1cc(C)[nH]n1	ZINC000680385816	487581565	/nfs/dbraw/zinc/58/15/65/487581565.db2.gz	BELJEVNICRBASF-VIFPVBQESA-N	0	1	238.291	0.454	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN2CCOC[C@H]2C1	ZINC000680431129	487592959	/nfs/dbraw/zinc/59/29/59/487592959.db2.gz	ZPUURSDGGZRXCY-CHWSQXEVSA-N	0	1	222.332	0.805	20	30		BCEDMN
C#CCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000269031484	166144163	/nfs/dbraw/zinc/14/41/63/166144163.db2.gz	SMWKODJTKGCMTO-SECBINFHSA-N	0	1	234.303	0.972	20	30		BCEDMN
C#CCN(C)C(=O)[C@H](C)CN1CCOCC1	ZINC000276730593	166156776	/nfs/dbraw/zinc/15/67/76/166156776.db2.gz	DPULDDXRFSNGFY-LLVKDONJSA-N	0	1	224.304	0.046	20	30		BCEDMN
C#CCCCCC(=O)N1CC(N(C)C)C1	ZINC000271867549	166121836	/nfs/dbraw/zinc/12/18/36/166121836.db2.gz	PFOJSCIHFUIRRF-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCCNC(=O)NCc1n[nH]c(COC)n1	ZINC000665940680	487607799	/nfs/dbraw/zinc/60/77/99/487607799.db2.gz	JCVBQWORNWRTGM-UHFFFAOYSA-N	0	1	239.279	0.326	20	30		BCEDMN
C=CCCNC(=O)NCc1nnc(COC)[nH]1	ZINC000665940680	487607801	/nfs/dbraw/zinc/60/78/01/487607801.db2.gz	JCVBQWORNWRTGM-UHFFFAOYSA-N	0	1	239.279	0.326	20	30		BCEDMN
C#CCCCN1CC[C@@](F)(C(=O)OC)C1	ZINC000270875256	166131072	/nfs/dbraw/zinc/13/10/72/166131072.db2.gz	AIVFUOSBAYPKLQ-NSHDSACASA-N	0	1	213.252	0.987	20	30		BCEDMN
C#CCCN1CCN(Cc2ccnn2C)CC1	ZINC000271999112	166137568	/nfs/dbraw/zinc/13/75/68/166137568.db2.gz	HADRBCYPSHYUKS-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C=C[C@H](C)NC(=O)N(C)CC1CN(C)C1	ZINC000660881552	409921606	/nfs/dbraw/zinc/92/16/06/409921606.db2.gz	MVYKROAVTOAVLD-VIFPVBQESA-N	0	1	211.309	0.764	20	30		BCEDMN
C#CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000272274705	166178186	/nfs/dbraw/zinc/17/81/86/166178186.db2.gz	YZTNRUSIMKHBBW-MNOVXSKESA-N	0	1	221.304	0.355	20	30		BCEDMN
C#CCOc1ccccc1CN[C@@H](C)C(=O)NC	ZINC000042560903	166200301	/nfs/dbraw/zinc/20/03/01/166200301.db2.gz	BLWQTCFQMAXRDD-NSHDSACASA-N	0	1	246.310	0.923	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1cn[nH]c1C	ZINC000292479849	166209521	/nfs/dbraw/zinc/20/95/21/166209521.db2.gz	QAVJOPIXSBAXAV-SSDOTTSWSA-N	0	1	206.249	0.539	20	30		BCEDMN
C=CCCCN1C[C@H](O)C[C@@H]1C(=O)OC	ZINC000163766434	166236641	/nfs/dbraw/zinc/23/66/41/166236641.db2.gz	MWBVIJMVSRPZNI-NXEZZACHSA-N	0	1	213.277	0.561	20	30		BCEDMN
C=CCCOCCNC(=O)Cc1cc(C)n[nH]1	ZINC000155216319	166268758	/nfs/dbraw/zinc/26/87/58/166268758.db2.gz	OGXPWAKKHQVQFU-UHFFFAOYSA-N	0	1	237.303	0.970	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@](F)(C(=O)OC)C1	ZINC000268435649	166303787	/nfs/dbraw/zinc/30/37/87/166303787.db2.gz	DZUOGWWHJRANAQ-CMPLNLGQSA-N	0	1	245.294	0.901	20	30		BCEDMN
C=CCC[C@H](O)CN(C)CC(=O)NC(C)C	ZINC000268633943	166304077	/nfs/dbraw/zinc/30/40/77/166304077.db2.gz	LCGJBLJOWKXBFR-NSHDSACASA-N	0	1	228.336	0.770	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)Cc1nnc[nH]1	ZINC000177145214	166328609	/nfs/dbraw/zinc/32/86/09/166328609.db2.gz	NDKNKTVBNWCPEN-UHFFFAOYSA-N	0	1	249.318	0.437	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H]1CCC[C@@H]1O	ZINC000270208723	166367063	/nfs/dbraw/zinc/36/70/63/166367063.db2.gz	XZKYLOOGGCTNCV-MNOVXSKESA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1C[C@H](O)C2(CC2)C1	ZINC000368800372	166383002	/nfs/dbraw/zinc/38/30/02/166383002.db2.gz	NSZBGHFWOYHHPH-ZJUUUORDSA-N	0	1	224.304	0.134	20	30		BCEDMN
C=CCNC(=O)[C@H](C)CN1CCOCC1	ZINC000271090736	166387336	/nfs/dbraw/zinc/38/73/36/166387336.db2.gz	HXJIZBKQWXSQDK-SNVBAGLBSA-N	0	1	212.293	0.257	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)[C@H](CC)C(=O)[O-]	ZINC000044622609	411138656	/nfs/dbraw/zinc/13/86/56/411138656.db2.gz	QYGAGJMVILMVFW-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C)[C@H](CC)C(=O)[O-]	ZINC000044622609	411138657	/nfs/dbraw/zinc/13/86/57/411138657.db2.gz	QYGAGJMVILMVFW-MRVPVSSYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)[C@@H](CC)C(=O)[O-]	ZINC000044622606	411138746	/nfs/dbraw/zinc/13/87/46/411138746.db2.gz	QYGAGJMVILMVFW-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C)[C@@H](CC)C(=O)[O-]	ZINC000044622606	411138747	/nfs/dbraw/zinc/13/87/47/411138747.db2.gz	QYGAGJMVILMVFW-QMMMGPOBSA-N	0	1	214.265	0.084	20	30		BCEDMN
C#CCN(C)CCn1cnc2ccccc2c1=O	ZINC000192229101	411186220	/nfs/dbraw/zinc/18/62/20/411186220.db2.gz	ZRJZBLPQUYSPTE-UHFFFAOYSA-N	0	1	241.294	0.962	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCCC1	ZINC000662165747	411370378	/nfs/dbraw/zinc/37/03/78/411370378.db2.gz	NTTIQUZEKBNZDO-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC(CC)CC	ZINC000662166303	411370525	/nfs/dbraw/zinc/37/05/25/411370525.db2.gz	ZNNPGTYKKOLUEK-MWLCHTKSSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCCCC	ZINC000662167362	411371053	/nfs/dbraw/zinc/37/10/53/411371053.db2.gz	BDVGVZFAUJLWNC-SECBINFHSA-N	0	1	200.282	0.039	20	30		BCEDMN
C=CC[N@@H+](C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000662211498	411378034	/nfs/dbraw/zinc/37/80/34/411378034.db2.gz	PPHXHOFBERELNJ-JTQLQIEISA-N	0	1	238.287	0.322	20	30		BCEDMN
C=CCCn1cc(CN(C)Cc2nnc[nH]2)nn1	ZINC000653566887	411423894	/nfs/dbraw/zinc/42/38/94/411423894.db2.gz	MYQMPSCRHSRDFM-UHFFFAOYSA-N	0	1	247.306	0.604	20	30		BCEDMN
C=CCCn1cc(CN[C@H](C)[C@H](C)CO)nn1	ZINC000653615289	411440978	/nfs/dbraw/zinc/44/09/78/411440978.db2.gz	ATXLCKWLIUCDDB-GHMZBOCLSA-N	0	1	238.335	0.961	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](O)C2CC2)nn1	ZINC000657369334	411480576	/nfs/dbraw/zinc/48/05/76/411480576.db2.gz	ZAJBICQQGRUGCS-GFCCVEGCSA-N	0	1	236.319	0.715	20	30		BCEDMN
C=CCCn1cc(CNCC[C@H](C)O)nn1	ZINC000657362106	411480683	/nfs/dbraw/zinc/48/06/83/411480683.db2.gz	OUISMNVNMYYAAD-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
C=CCCn1cc(CNC[C@H](C)CO)nn1	ZINC000657327649	411465927	/nfs/dbraw/zinc/46/59/27/411465927.db2.gz	LWLMAEGOJSSPGD-JTQLQIEISA-N	0	1	224.308	0.572	20	30		BCEDMN
C=CCNC(=O)CN(C1CC1)C1(CO)CCC1	ZINC000660775111	411626360	/nfs/dbraw/zinc/62/63/60/411626360.db2.gz	YJCGGMCJLNYSHP-UHFFFAOYSA-N	0	1	238.331	0.668	20	30		BCEDMN
C=CCCNC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000660640448	411610926	/nfs/dbraw/zinc/61/09/26/411610926.db2.gz	XDXULIIDGOMEMK-LLVKDONJSA-N	0	1	240.351	0.108	20	30		BCEDMN
CCOC(=O)c1cc(NC(=O)[C@@H](C)C#N)n[nH]1	ZINC000542834452	411684893	/nfs/dbraw/zinc/68/48/93/411684893.db2.gz	GWWMAHIGPMVLAP-LURJTMIESA-N	0	1	236.231	0.685	20	30		BCEDMN
C=CCCNC(=O)N(C)Cc1nnc[nH]1	ZINC000661569320	411804797	/nfs/dbraw/zinc/80/47/97/411804797.db2.gz	LPHVQNFMNGBAHY-UHFFFAOYSA-N	0	1	209.253	0.522	20	30		BCEDMN
C=C(C)CCN1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000661680327	411835212	/nfs/dbraw/zinc/83/52/12/411835212.db2.gz	DQONLVVQMFNMHV-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1	ZINC000661702477	411848538	/nfs/dbraw/zinc/84/85/38/411848538.db2.gz	PZJJFAUTIREODI-PWSUYJOCSA-N	0	1	224.304	0.257	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCc2cnc(N)nc2C1	ZINC000623293877	411849092	/nfs/dbraw/zinc/84/90/92/411849092.db2.gz	JWFGVZAPRWPNHY-LLVKDONJSA-N	0	1	248.330	0.744	20	30		BCEDMN
CC#CCN1CCC(c2nnc(N)o2)CC1	ZINC000639739317	411851233	/nfs/dbraw/zinc/85/12/33/411851233.db2.gz	MVRJAMPXTZNOIY-UHFFFAOYSA-N	0	1	220.276	0.855	20	30		BCEDMN
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)n(C)[n-]1	ZINC000662090070	411984779	/nfs/dbraw/zinc/98/47/79/411984779.db2.gz	HTAPXZXVWCNQMI-AOOOYVTPSA-N	0	1	234.303	0.791	20	30		BCEDMN
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)n(C)[n-]1	ZINC000662090070	411984781	/nfs/dbraw/zinc/98/47/81/411984781.db2.gz	HTAPXZXVWCNQMI-AOOOYVTPSA-N	0	1	234.303	0.791	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCN(C(C)C)C1=O	ZINC000662166739	411999472	/nfs/dbraw/zinc/99/94/72/411999472.db2.gz	FOJBKJGWRHVTFJ-ZJUUUORDSA-N	0	1	212.293	0.132	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCCCCC	ZINC000662166070	412014627	/nfs/dbraw/zinc/01/46/27/412014627.db2.gz	RLUPPHHTVUIQEI-GHMZBOCLSA-N	0	1	228.336	0.818	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NC(C)(C)C	ZINC000662166234	412014664	/nfs/dbraw/zinc/01/46/64/412014664.db2.gz	WCJNURZEBIAGCC-MRVPVSSYSA-N	0	1	200.282	0.038	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCc1cccc(C)c1	ZINC000662166046	412014762	/nfs/dbraw/zinc/01/47/62/412014762.db2.gz	YVZNYZTWNCSNOB-CYBMUJFWSA-N	0	1	248.326	0.748	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C)Cc1ccccc1	ZINC000662163775	412014963	/nfs/dbraw/zinc/01/49/63/412014963.db2.gz	JQOZQGSHBFVOFL-CYBMUJFWSA-N	0	1	248.326	0.782	20	30		BCEDMN
C=C[C@H](CO)NCc1c(C)nn(C)c1C	ZINC000662165700	412015142	/nfs/dbraw/zinc/01/51/42/412015142.db2.gz	MWGPITBBHZRGBC-SNVBAGLBSA-N	0	1	209.293	0.673	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCC(C)C	ZINC000662166162	412015260	/nfs/dbraw/zinc/01/52/60/412015260.db2.gz	UDAZJGZROISZBU-VHSXEESVSA-N	0	1	214.309	0.284	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C)C1CCCCC1	ZINC000662167944	412016278	/nfs/dbraw/zinc/01/62/78/412016278.db2.gz	UEEDWQCXSKRKLU-LLVKDONJSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N1CCC(C)CC1	ZINC000662167987	412016313	/nfs/dbraw/zinc/01/63/13/412016313.db2.gz	WTGPSTAZGAMWSZ-NWDGAFQWSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N(C)c1ccccc1	ZINC000662167705	412016782	/nfs/dbraw/zinc/01/67/82/412016782.db2.gz	MGZMSTPZZCRMHZ-LLVKDONJSA-N	0	1	234.299	0.786	20	30		BCEDMN
C=C[C@H](CO)NCc1n[nH]c(C(C)C)n1	ZINC000662168874	412017566	/nfs/dbraw/zinc/01/75/66/412017566.db2.gz	YMALMLHNVOODDZ-MRVPVSSYSA-N	0	1	210.281	0.565	20	30		BCEDMN
C=CCCC[N@H+](C)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000662202816	412024040	/nfs/dbraw/zinc/02/40/40/412024040.db2.gz	BWEMKOVKZIKODC-JTQLQIEISA-N	0	1	240.303	0.570	20	30		BCEDMN
C=CCCC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662220197	412030788	/nfs/dbraw/zinc/03/07/88/412030788.db2.gz	UZLDKPOCANMPGP-ZYHUDNBSSA-N	0	1	225.288	0.986	20	30		BCEDMN
CN(C)c1nc(NCc2nc(C#N)cs2)n[nH]1	ZINC000424164856	412199033	/nfs/dbraw/zinc/19/90/33/412199033.db2.gz	AGYUKEDSWZNQHQ-UHFFFAOYSA-N	0	1	249.303	0.811	20	30		BCEDMN
N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N	ZINC000596092975	412273595	/nfs/dbraw/zinc/27/35/95/412273595.db2.gz	YQAJNXJARNGIOL-JTQLQIEISA-N	0	1	243.314	1.184	20	30		BCEDMN
C=CCC1(NC(=O)[C@@H](N)COC)CCOCC1	ZINC000662874406	412332269	/nfs/dbraw/zinc/33/22/69/412332269.db2.gz	NLBSTMVUPCRNTM-JTQLQIEISA-N	0	1	242.319	0.202	20	30		BCEDMN
C=CCC1(NC(=O)[C@H]2CNCCO2)CCCC1	ZINC000662889045	412336252	/nfs/dbraw/zinc/33/62/52/412336252.db2.gz	QTOREXDNDJOCCG-LLVKDONJSA-N	0	1	238.331	0.980	20	30		BCEDMN
C=C[C@H](CO)NCc1cn(C)nc1CC	ZINC000309038697	487625015	/nfs/dbraw/zinc/62/50/15/487625015.db2.gz	JSTRMUCIGBKKAE-SNVBAGLBSA-N	0	1	209.293	0.619	20	30		BCEDMN
CN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000177462003	173014463	/nfs/dbraw/zinc/01/44/63/173014463.db2.gz	RYNAPKVPVWQQNW-UHFFFAOYSA-N	0	1	232.287	0.664	20	30		BCEDMN
CN1CCCN(C(=O)c2ccc(C#N)o2)CC1	ZINC000310294610	173015454	/nfs/dbraw/zinc/01/54/54/173015454.db2.gz	ADXVNWHUZPCGQM-UHFFFAOYSA-N	0	1	233.271	0.929	20	30		BCEDMN
CNC(=O)CCCNCc1nc(C#N)cs1	ZINC000336762455	173242647	/nfs/dbraw/zinc/24/26/47/173242647.db2.gz	LIYASQJHSYKCLZ-UHFFFAOYSA-N	0	1	238.316	0.631	20	30		BCEDMN
C[C@H]1CNCCN1C(=O)c1ccc(C#N)cc1	ZINC000054369733	177283948	/nfs/dbraw/zinc/28/39/48/177283948.db2.gz	XDAURIRSIKCANO-JTQLQIEISA-N	0	1	229.283	0.992	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)[C@H]1CCN(C)C1=O	ZINC000671708388	487700718	/nfs/dbraw/zinc/70/07/18/487700718.db2.gz	PHSDPAAKEAPYRR-VHSXEESVSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@H](C)CC[S@](C)=O	ZINC000900885129	584361337	/nfs/dbraw/zinc/36/13/37/584361337.db2.gz	VFKIBORKBWTVRW-HWPZZCPQSA-N	0	1	246.376	0.378	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)CCc1noc(C)n1	ZINC000671734185	487713202	/nfs/dbraw/zinc/71/32/02/487713202.db2.gz	QEKPMCQPGWNWLL-JTQLQIEISA-N	0	1	225.292	0.789	20	30		BCEDMN
CCC#C[C@H](C)N1CCn2c(n[nH]c2=O)C1	ZINC000681220669	487750454	/nfs/dbraw/zinc/75/04/54/487750454.db2.gz	HDRXJXNXSNGDAJ-VIFPVBQESA-N	0	1	220.276	0.601	20	30		BCEDMN
N#CCCCCN1CCN2C(=O)NC[C@@H]2C1	ZINC000091752952	487794473	/nfs/dbraw/zinc/79/44/73/487794473.db2.gz	MYVVBVQGTATWJE-SNVBAGLBSA-N	0	1	222.292	0.390	20	30		BCEDMN
C#CCCCN1CCSC[C@H]1C(N)=O	ZINC000773585519	585640819	/nfs/dbraw/zinc/64/08/19/585640819.db2.gz	WABWAULSZJZMEM-VIFPVBQESA-N	0	1	212.318	0.303	20	30		BCEDMN
C=CCOCC[N@@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000385869131	487811448	/nfs/dbraw/zinc/81/14/48/487811448.db2.gz	YSBWDJZIHWZRKC-JTQLQIEISA-N	0	1	213.277	0.986	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C(C)C)CC1	ZINC000791314039	585977018	/nfs/dbraw/zinc/97/70/18/585977018.db2.gz	OJYVNKRDLAYUGE-UHFFFAOYSA-N	0	1	212.293	0.088	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1	ZINC000824291634	587262997	/nfs/dbraw/zinc/26/29/97/587262997.db2.gz	ZXQWFYZPDMTNBI-MNOVXSKESA-N	0	1	208.305	0.808	20	30		BCEDMN
CC#CCN(C)C(=O)CCc1cnc[nH]1	ZINC000341007137	487835720	/nfs/dbraw/zinc/83/57/20/487835720.db2.gz	RAICXPGGIDPSCB-UHFFFAOYSA-N	0	1	205.261	0.824	20	30		BCEDMN
CCO/C=C/C(=O)NC1(C#N)CCN(C)CC1	ZINC000493188002	528473943	/nfs/dbraw/zinc/47/39/43/528473943.db2.gz	LDMIKNFYMARRJG-RUDMXATFSA-N	0	1	237.303	0.641	20	30		BCEDMN
C#CCNC(=O)CSc1n[nH]c(CC)n1	ZINC000022543291	590512675	/nfs/dbraw/zinc/51/26/75/590512675.db2.gz	VRDUVCGEJDJCLF-UHFFFAOYSA-N	0	1	224.289	0.209	20	30		BCEDMN
C#CCNC(=O)CSc1nc(CC)n[nH]1	ZINC000022543291	590512677	/nfs/dbraw/zinc/51/26/77/590512677.db2.gz	VRDUVCGEJDJCLF-UHFFFAOYSA-N	0	1	224.289	0.209	20	30		BCEDMN
COCC#CCN1CC[C@H](OCCOC)C1	ZINC000682039536	487887731	/nfs/dbraw/zinc/88/77/31/487887731.db2.gz	WZRDUMWDQFERQN-LBPRGKRZSA-N	0	1	227.304	0.374	20	30		BCEDMN
C=CCNC(=O)[C@@H](N)c1cccc(OC)c1	ZINC000083350448	487906263	/nfs/dbraw/zinc/90/62/63/487906263.db2.gz	SBBZIUSIGWUQSS-NSHDSACASA-N	0	1	220.272	0.997	20	30		BCEDMN
C=C[C@](C)(CCOC)C(=O)NCc1c[nH]nn1	ZINC000682162159	487919942	/nfs/dbraw/zinc/91/99/42/487919942.db2.gz	FPFLDOFZWWKFMJ-LLVKDONJSA-N	0	1	238.291	0.650	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCc2cn[nH]c2C1	ZINC000676791778	487928940	/nfs/dbraw/zinc/92/89/40/487928940.db2.gz	BQROCCVBIKASNW-VIFPVBQESA-N	0	1	234.303	0.459	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)N(C)CC1CN(C)C1	ZINC000598155889	487936745	/nfs/dbraw/zinc/93/67/45/487936745.db2.gz	AOXKERARYLHTAO-GFCCVEGCSA-N	0	1	223.320	0.946	20	30		BCEDMN
CC(=O)CCCCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000569603980	322972413	/nfs/dbraw/zinc/97/24/13/322972413.db2.gz	HAVBMTJOJKHXTD-UHFFFAOYSA-N	0	1	249.270	0.558	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC[C@@H](OC)C1	ZINC000246128181	323008414	/nfs/dbraw/zinc/00/84/14/323008414.db2.gz	OLWVJAIRKLOUBB-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](COC)C1	ZINC000246600314	323009651	/nfs/dbraw/zinc/00/96/51/323009651.db2.gz	AOKLRVRLOZFPMK-NWDGAFQWSA-N	0	1	238.331	0.483	20	30		BCEDMN
C[C@H](C#N)CNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000562264844	323014262	/nfs/dbraw/zinc/01/42/62/323014262.db2.gz	NKIXQDLBSGWVSP-RKDXNWHRSA-N	0	1	247.302	0.726	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000569866042	323043180	/nfs/dbraw/zinc/04/31/80/323043180.db2.gz	ZXPPWELLPYUIIM-QWRGUYRKSA-N	0	1	223.320	0.993	20	30		BCEDMN
COc1ccc(C#N)cc1Cn1nnnc1CN	ZINC000563081672	323088667	/nfs/dbraw/zinc/08/86/67/323088667.db2.gz	RGEMCWXATFQVEX-UHFFFAOYSA-N	0	1	244.258	0.060	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)Cn1cccn1	ZINC000571057614	323106171	/nfs/dbraw/zinc/10/61/71/323106171.db2.gz	YWEAPVGCRWNPIM-WDEREUQCSA-N	0	1	222.292	0.526	20	30		BCEDMN
C=CCNC(=O)CN(CC)C[C@H]1CCCO1	ZINC000051555204	323189737	/nfs/dbraw/zinc/18/97/37/323189737.db2.gz	ZYHYATDANCPPNB-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000051908790	323191915	/nfs/dbraw/zinc/19/19/15/323191915.db2.gz	GRAZXSYWKZLDJV-GFCCVEGCSA-N	0	1	220.316	0.858	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CCCN(C(C)=O)CC1	ZINC000677046779	487957845	/nfs/dbraw/zinc/95/78/45/487957845.db2.gz	JAWIXLNBCDMRDQ-GFCCVEGCSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCCN(C(C)=O)CC1	ZINC000677046779	487957847	/nfs/dbraw/zinc/95/78/47/487957847.db2.gz	JAWIXLNBCDMRDQ-GFCCVEGCSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCN(C)CCn1nc2ccccn2c1=O	ZINC000121143038	324002522	/nfs/dbraw/zinc/00/25/22/324002522.db2.gz	IUCXIWNBRMRBLL-UHFFFAOYSA-N	0	1	232.287	0.614	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)CCSC	ZINC000152570116	324187394	/nfs/dbraw/zinc/18/73/94/324187394.db2.gz	AIFNCKSOPNMFJZ-SECBINFHSA-N	0	1	214.334	0.419	20	30		BCEDMN
C=CCNC(=O)CNC(C)(C)c1cnn(C)c1	ZINC000545292924	325208448	/nfs/dbraw/zinc/20/84/48/325208448.db2.gz	PDTRQFLEMCBFLQ-UHFFFAOYSA-N	0	1	236.319	0.547	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(c2ccnc(C#N)n2)CCN1C	ZINC000566485343	326057148	/nfs/dbraw/zinc/05/71/48/326057148.db2.gz	GSDUGZCWMNNKEV-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
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COCC#CCN1CCC(OCCOC)CC1	ZINC000677817211	488129765	/nfs/dbraw/zinc/12/97/65/488129765.db2.gz	IYBGROUHZQPQKN-UHFFFAOYSA-N	0	1	241.331	0.764	20	30		BCEDMN
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CCC#C[C@H](C)N1CCN(CCO)[C@@H](C)C1	ZINC000681712292	487514119	/nfs/dbraw/zinc/51/41/19/487514119.db2.gz	SVZWPUWEBSYBRF-STQMWFEESA-N	0	1	224.348	0.787	20	30		BCEDMN
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COCC#CCN(CCO)[C@@H]1CCO[C@H]1C	ZINC000684628322	488335680	/nfs/dbraw/zinc/33/56/80/488335680.db2.gz	JFYRXNWELVFQLM-NWDGAFQWSA-N	0	1	227.304	0.108	20	30		BCEDMN
CCC#C[C@@H](C)N(C)CCNC(=O)N(C)C	ZINC000679151262	488313615	/nfs/dbraw/zinc/31/36/15/488313615.db2.gz	NYDSNIGSGYJJGM-LLVKDONJSA-N	0	1	225.336	0.991	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@@H]1CCCN(C)C1	ZINC000684761285	488340374	/nfs/dbraw/zinc/34/03/74/488340374.db2.gz	PBTRTHRHXLFXCB-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CCOCCNC(=O)[C@H]1CCCCN1C	ZINC000679585631	488359762	/nfs/dbraw/zinc/35/97/62/488359762.db2.gz	DECPXYHGNPPUFI-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
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CCc1cc(C(=O)N(CC#N)CC#N)n[nH]1	ZINC000299656722	536102336	/nfs/dbraw/zinc/10/23/36/536102336.db2.gz	KOFZTKHNJXEANU-UHFFFAOYSA-N	0	1	217.232	0.461	20	30		BCEDMN
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C=C(Cl)CN1CC[C@@H]2C(=O)NC[C@H]2C1	ZINC000377721069	534439695	/nfs/dbraw/zinc/43/96/95/534439695.db2.gz	ISFJZTJKIOVCGD-IUCAKERBSA-N	0	1	214.696	0.807	20	30		BCEDMN
C=C1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1	ZINC000333873577	534464019	/nfs/dbraw/zinc/46/40/19/534464019.db2.gz	PVTOEEFPUDFHAS-SNVBAGLBSA-N	0	1	237.303	0.579	20	30		BCEDMN
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C=CCCC(=O)N1CCN([C@H](CC)CO)CC1	ZINC000305176259	534606864	/nfs/dbraw/zinc/60/68/64/534606864.db2.gz	GFYWTFUOGACARO-GFCCVEGCSA-N	0	1	240.347	0.868	20	30		BCEDMN
C=CCOCCN(CC)CC(=O)NCC	ZINC000293584927	534876442	/nfs/dbraw/zinc/87/64/42/534876442.db2.gz	UBGIUNPAWKUVNS-UHFFFAOYSA-N	0	1	214.309	0.647	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cc(C#N)ccn3)C[C@@H]21	ZINC000408107383	536446338	/nfs/dbraw/zinc/44/63/38/536446338.db2.gz	OOSLYDRAILHTHI-RYUDHWBXSA-N	0	1	244.298	0.472	20	30		BCEDMN
C#CCN(CC#CC)Cc1n[nH]c(CC)n1	ZINC000491047701	526865363	/nfs/dbraw/zinc/86/53/63/526865363.db2.gz	VKJJQHGVBIEKNG-UHFFFAOYSA-N	0	1	216.288	0.826	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCS[C@H](CC)C1	ZINC000174364893	527028520	/nfs/dbraw/zinc/02/85/20/527028520.db2.gz	ULTINYHEZZVEDH-WDEREUQCSA-N	0	1	240.372	0.952	20	30		BCEDMN
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CCN(CC(=O)N[C@H](C#N)C1CC1)C1CC1	ZINC000505917573	527916243	/nfs/dbraw/zinc/91/62/43/527916243.db2.gz	RWTGEDGPLLSOCH-LLVKDONJSA-N	0	1	221.304	0.889	20	30		BCEDMN
CC[C@H](CC#N)NCCCOC(=O)NC(N)=O	ZINC000496569564	529300782	/nfs/dbraw/zinc/30/07/82/529300782.db2.gz	JTZPIUQYTVBSTA-MRVPVSSYSA-N	0	1	242.279	0.463	20	30		BCEDMN
CCCN1CCN(c2ccc(C#N)nn2)CC1	ZINC000301943338	534931285	/nfs/dbraw/zinc/93/12/85/534931285.db2.gz	WBMFOKPDOQGBLT-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
CC(C)(C#N)CNC(=O)NCCN1CCC1	ZINC000358631921	534996707	/nfs/dbraw/zinc/99/67/07/534996707.db2.gz	MRRHGXSDZDDPJA-UHFFFAOYSA-N	0	1	224.308	0.541	20	30		BCEDMN
CC[C@@H](C)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000335478703	535538910	/nfs/dbraw/zinc/53/89/10/535538910.db2.gz	MBKURNLVBOWQSY-SSDOTTSWSA-N	0	1	207.233	0.454	20	30		BCEDMN
CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000344707253	535860651	/nfs/dbraw/zinc/86/06/51/535860651.db2.gz	PXUMSTGJPSFFRZ-DJLDLDEBSA-N	0	1	226.276	0.850	20	30		BCEDMN
CC[C@@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785327	535995715	/nfs/dbraw/zinc/99/57/15/535995715.db2.gz	BOJDIOOFECYWJD-GMSGAONNSA-N	0	1	212.249	0.604	20	30		BCEDMN
CCC#C[C@H](C)N1CCN(CCO)CC1	ZINC000677047968	566297055	/nfs/dbraw/zinc/29/70/55/566297055.db2.gz	LZPWDCSLTWOPJN-LBPRGKRZSA-N	0	1	210.321	0.398	20	30		BCEDMN
C#CCO[C@H](C)C(=O)O[C@@H](C)c1nnc[nH]1	ZINC000853226020	588727217	/nfs/dbraw/zinc/72/72/17/588727217.db2.gz	ULHYGHVHOAQHTQ-JGVFFNPUSA-N	0	1	223.232	0.447	20	30		BCEDMN
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C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000111253841	588737627	/nfs/dbraw/zinc/73/76/27/588737627.db2.gz	QDTKYOJKTHWIQS-GUBZILKMSA-N	0	1	240.303	0.330	20	30		BCEDMN
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CC(C)C#CC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000854741481	588804970	/nfs/dbraw/zinc/80/49/70/588804970.db2.gz	QKIFZTAXTIHZJN-UHFFFAOYSA-N	0	1	232.287	0.958	20	30		BCEDMN
C#CC1(O)CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1	ZINC000890522930	582463243	/nfs/dbraw/zinc/46/32/43/582463243.db2.gz	IPCQXZRUCDODHR-SECBINFHSA-N	0	1	245.282	0.036	20	30		BCEDMN
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C#CC1(O)CN(C(=O)[C@H]2CCN2C2CCCC2)C1	ZINC000890527452	582467452	/nfs/dbraw/zinc/46/74/52/582467452.db2.gz	SKLHZSPYRCXLQO-GFCCVEGCSA-N	0	1	248.326	0.210	20	30		BCEDMN
C#CC1(O)CN(C(=O)c2cccc(F)c2O)C1	ZINC000890528937	582468575	/nfs/dbraw/zinc/46/85/75/582468575.db2.gz	ZRZWPBOTWVFIAV-UHFFFAOYSA-N	0	1	235.214	0.351	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000890548269	582470256	/nfs/dbraw/zinc/47/02/56/582470256.db2.gz	OQLQNBBYMJTGKL-NTZNESFSSA-N	0	1	238.331	0.619	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)CCc1c[nH]nn1	ZINC000890654563	582493813	/nfs/dbraw/zinc/49/38/13/582493813.db2.gz	DWNGAFUDMJWACW-NSHDSACASA-N	0	1	232.287	0.752	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)CCc1cnn[nH]1	ZINC000890654563	582493814	/nfs/dbraw/zinc/49/38/14/582493814.db2.gz	DWNGAFUDMJWACW-NSHDSACASA-N	0	1	232.287	0.752	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCC	ZINC000844086460	582569816	/nfs/dbraw/zinc/56/98/16/582569816.db2.gz	LQDLOFNNNHVUIL-JTQLQIEISA-N	0	1	210.277	0.542	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)COC	ZINC000855375408	588829956	/nfs/dbraw/zinc/82/99/56/588829956.db2.gz	LPDJAHHFQWRCHK-OPRDCNLKSA-N	0	1	242.275	0.701	20	30		BCEDMN
C=CCN(C(=O)c1[nH]nnc1C)[C@@H](C)COC	ZINC000855375160	588829971	/nfs/dbraw/zinc/82/99/71/588829971.db2.gz	IIYCJZRZVUUDDG-QMMMGPOBSA-N	0	1	238.291	0.776	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1	ZINC000855580535	588839974	/nfs/dbraw/zinc/83/99/74/588839974.db2.gz	CQAHCIRHHXRQAX-NXEZZACHSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[N@H+](C)C(C)C	ZINC000846551438	582658547	/nfs/dbraw/zinc/65/85/47/582658547.db2.gz	STYJNOZGXNWVJF-SECBINFHSA-N	0	1	200.282	0.949	20	30		BCEDMN
C#CCCCC(=O)N(C)CC1CN(C)C1	ZINC000855641480	588843078	/nfs/dbraw/zinc/84/30/78/588843078.db2.gz	MCIDALLEOXSYJI-UHFFFAOYSA-N	0	1	208.305	0.810	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cnccn1	ZINC000779800564	582735045	/nfs/dbraw/zinc/73/50/45/582735045.db2.gz	OMLRPBHEWUUYMH-SSDOTTSWSA-N	0	1	218.264	0.138	20	30		BCEDMN
CC(C#N)C(=O)N[C@@]1(C)CC(C)(C)OC1=O	ZINC000848151578	582749752	/nfs/dbraw/zinc/74/97/52/582749752.db2.gz	LYDNHJIHCMESST-HQJQHLMTSA-N	0	1	224.260	0.746	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000856200747	588864723	/nfs/dbraw/zinc/86/47/23/588864723.db2.gz	PJDAPSRYARCHFC-NQMVMOMDSA-N	0	1	223.232	0.414	20	30		BCEDMN
C#CCCN(CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000856391645	588871116	/nfs/dbraw/zinc/87/11/16/588871116.db2.gz	XZHONICKZXKFTK-NXEZZACHSA-N	0	1	240.259	0.150	20	30		BCEDMN
C=C(Cl)CNC(=O)N(C)CC1CN(C)C1	ZINC000852123093	583006219	/nfs/dbraw/zinc/00/62/19/583006219.db2.gz	MKNHKLOCHRLHRU-UHFFFAOYSA-N	0	1	231.727	0.942	20	30		BCEDMN
N#Cc1ccc(NCCc2nc[nH]n2)c(CO)c1	ZINC000892907115	583007575	/nfs/dbraw/zinc/00/75/75/583007575.db2.gz	XXCXUUVZBOGNJR-UHFFFAOYSA-N	0	1	243.270	0.823	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)N(C)c1nn[nH]n1	ZINC000892955366	583018379	/nfs/dbraw/zinc/01/83/79/583018379.db2.gz	ZYLKOOCELNNARL-SECBINFHSA-N	0	1	209.253	0.765	20	30		BCEDMN
Cc1nnc(N=NC(C)c2csnn2)n1C	ZINC000853430784	583054039	/nfs/dbraw/zinc/05/40/39/583054039.db2.gz	IRNMRUPILOOKOW-UHFFFAOYSA-N	0	1	237.292	0.811	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)C(C)(C)c1cnc[nH]1	ZINC000854542194	583088205	/nfs/dbraw/zinc/08/82/05/583088205.db2.gz	MSFFTTOAEIJSGZ-VIFPVBQESA-N	0	1	235.287	0.188	20	30		BCEDMN
C=CCNC(=O)CNCc1cnn(C)c1C1CC1	ZINC000893317835	583099756	/nfs/dbraw/zinc/09/97/56/583099756.db2.gz	IOLXANRBDOFWAK-UHFFFAOYSA-N	0	1	248.330	0.689	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000855606919	583109136	/nfs/dbraw/zinc/10/91/36/583109136.db2.gz	RPJOMLXGCJTHPI-MRVPVSSYSA-N	0	1	219.244	0.196	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)NCc1n[nH]c(C)n1	ZINC000889707373	583321973	/nfs/dbraw/zinc/32/19/73/583321973.db2.gz	OZRUSNOHWSKKEG-MRVPVSSYSA-N	0	1	238.291	0.711	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)NCc1n[nH]c(C)n1	ZINC000889707374	583322101	/nfs/dbraw/zinc/32/21/01/583322101.db2.gz	OZRUSNOHWSKKEG-QMMMGPOBSA-N	0	1	238.291	0.711	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)on1	ZINC000857212056	588894094	/nfs/dbraw/zinc/89/40/94/588894094.db2.gz	QRSUZYWPKOVFTN-ZETCQYMHSA-N	0	1	207.237	0.254	20	30		BCEDMN
CC#CCCNC(=O)NCc1n[nH]c(C)n1	ZINC000894271468	583403011	/nfs/dbraw/zinc/40/30/11/583403011.db2.gz	HHMJVZIKYOQWPK-UHFFFAOYSA-N	0	1	221.264	0.326	20	30		BCEDMN
C#C[C@H](CC)NCc1c2c(nn1C)CCOC2	ZINC000894387720	583444849	/nfs/dbraw/zinc/44/48/49/583444849.db2.gz	UOEYKVUKUBRPKH-SNVBAGLBSA-N	0	1	233.315	0.994	20	30		BCEDMN
C#C[C@@H](NC(=O)NCc1n[nH]c(C)n1)C(C)C	ZINC000894931946	583556075	/nfs/dbraw/zinc/55/60/75/583556075.db2.gz	FRJPQOVTTMPFDF-SECBINFHSA-N	0	1	235.291	0.570	20	30		BCEDMN
C#C[C@@H]1COCCN1Cc1n[nH]c(C)c1C	ZINC000894986134	583564247	/nfs/dbraw/zinc/56/42/47/583564247.db2.gz	UNGJQEFMXGBJTO-LLVKDONJSA-N	0	1	219.288	0.861	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnc[nH]1)[C@H]1CCCO1	ZINC000793855890	583591145	/nfs/dbraw/zinc/59/11/45/583591145.db2.gz	MJFOJYSNTDKVOE-VXGBXAGGSA-N	0	1	247.298	0.639	20	30		BCEDMN
C=C(CC)CNC(=O)NCc1n[nH]c(C)n1	ZINC000895254109	583633959	/nfs/dbraw/zinc/63/39/59/583633959.db2.gz	BWIJBYNXEPMPGY-UHFFFAOYSA-N	0	1	223.280	0.879	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3cnc(C#N)cn3)C2)n1	ZINC000895329230	583651904	/nfs/dbraw/zinc/65/19/04/583651904.db2.gz	PIDNOFQKKKEVRU-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1nc(C2CN(c3cnc(C#N)cn3)C2)n[nH]1	ZINC000895329230	583651905	/nfs/dbraw/zinc/65/19/05/583651905.db2.gz	PIDNOFQKKKEVRU-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
C=C[C@H](CO)NCc1cn(CC)nc1C	ZINC000895461595	583677668	/nfs/dbraw/zinc/67/76/68/583677668.db2.gz	UMJICQISWPHAHA-LLVKDONJSA-N	0	1	209.293	0.848	20	30		BCEDMN
C=CCCNC(=O)NCCN1CCC(O)CC1	ZINC000895692638	583707826	/nfs/dbraw/zinc/70/78/26/583707826.db2.gz	VMXVFAUSTSWNCO-UHFFFAOYSA-N	0	1	241.335	0.318	20	30		BCEDMN
C#CCN1CCC[C@@H](NCc2ccon2)C1	ZINC000895748067	583716518	/nfs/dbraw/zinc/71/65/18/583716518.db2.gz	LZJJWSRDRKJHLI-GFCCVEGCSA-N	0	1	219.288	0.862	20	30		BCEDMN
CN1CC[C@H]1CNc1ccc(C#N)c(N)n1	ZINC000895769067	583724011	/nfs/dbraw/zinc/72/40/11/583724011.db2.gz	MRSYOXNFLGMOPG-VIFPVBQESA-N	0	1	217.276	0.651	20	30		BCEDMN
C#CCN1CCC(Nc2c(C#N)cnn2C)CC1	ZINC000895811517	583733112	/nfs/dbraw/zinc/73/31/12/583733112.db2.gz	IJJZJPLFBYRPTC-UHFFFAOYSA-N	0	1	243.314	0.801	20	30		BCEDMN
C#CCN1CCC(Nc2cc(=O)n(C)cn2)CC1	ZINC000895812313	583733352	/nfs/dbraw/zinc/73/33/52/583733352.db2.gz	PDUJQRBJCVAZSU-UHFFFAOYSA-N	0	1	246.314	0.290	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccnc(OC)c1F	ZINC000895965195	583754058	/nfs/dbraw/zinc/75/40/58/583754058.db2.gz	UYMIZFHUVJOOCL-SNVBAGLBSA-N	0	1	238.262	0.703	20	30		BCEDMN
C#CCSCC(=O)NCC[N@H+](CC)C1CC1	ZINC000896074551	583768948	/nfs/dbraw/zinc/76/89/48/583768948.db2.gz	MDWVQFUOINRGTB-UHFFFAOYSA-N	0	1	240.372	0.953	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000896413761	583801404	/nfs/dbraw/zinc/80/14/04/583801404.db2.gz	HTXFUKDFTYFERN-PWSUYJOCSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CCSCC(=O)N(C)Cc1nnc[nH]1	ZINC000896498501	583807338	/nfs/dbraw/zinc/80/73/38/583807338.db2.gz	ANSMHYAICKCNCJ-UHFFFAOYSA-N	0	1	224.289	0.130	20	30		BCEDMN
C#CC1(O)CN(c2nc(Cl)nc3[nH]cnc32)C1	ZINC000897343477	583926379	/nfs/dbraw/zinc/92/63/79/583926379.db2.gz	TVFBLHLGGOZPSB-UHFFFAOYSA-N	0	1	249.661	0.191	20	30		BCEDMN
C=C(C)CNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897444664	583985175	/nfs/dbraw/zinc/98/51/75/583985175.db2.gz	NXBCQKVQIKMLDS-LLVKDONJSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=C(C)CNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897444665	583985658	/nfs/dbraw/zinc/98/56/58/583985658.db2.gz	NXBCQKVQIKMLDS-NSHDSACASA-N	0	1	224.304	0.399	20	30		BCEDMN
C#CC[C@@H](COC)NCc1cnc(N(C)C)nc1	ZINC000858334986	588947353	/nfs/dbraw/zinc/94/73/53/588947353.db2.gz	JYYQHIZPRCOUKZ-LBPRGKRZSA-N	0	1	248.330	0.671	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CCc1cnc[nH]1	ZINC000863804110	583997167	/nfs/dbraw/zinc/99/71/67/583997167.db2.gz	LBLCSJZTTARRNB-LLVKDONJSA-N	0	1	235.287	0.497	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897581267	584022045	/nfs/dbraw/zinc/02/20/45/584022045.db2.gz	LQOCWLSSZQSCCR-CMPLNLGQSA-N	0	1	236.315	0.187	20	30		BCEDMN
CC(C)(C)N1CC[C@H]1C(=O)NCCC#N	ZINC000897592978	584023703	/nfs/dbraw/zinc/02/37/03/584023703.db2.gz	XTJLHNXRSQDYHS-VIFPVBQESA-N	0	1	209.293	0.889	20	30		BCEDMN
C[C@]1(NCc2csc(C#N)c2)CCNC1=O	ZINC000897866741	584055389	/nfs/dbraw/zinc/05/53/89/584055389.db2.gz	GEXJMLIDFFOSCM-NSHDSACASA-N	0	1	235.312	0.988	20	30		BCEDMN
C#C[C@@H](NC(=O)NCc1n[nH]c(C)n1)C(C)(C)C	ZINC000898357181	584112118	/nfs/dbraw/zinc/11/21/18/584112118.db2.gz	YNSIHRSLNMSHJG-SECBINFHSA-N	0	1	249.318	0.960	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NCc1n[nH]c(C)n1	ZINC000898364491	584112365	/nfs/dbraw/zinc/11/23/65/584112365.db2.gz	MTLSIGGKOABYLE-UHFFFAOYSA-N	0	1	245.286	0.281	20	30		BCEDMN
CC#CCN(C)C(=O)NCc1n[nH]c(C)n1	ZINC000898354084	584112401	/nfs/dbraw/zinc/11/24/01/584112401.db2.gz	NDHXXFVMBBDFTB-UHFFFAOYSA-N	0	1	221.264	0.278	20	30		BCEDMN
N#CCC1CN(C(=O)c2c[nH]cc3ncnc2-3)C1	ZINC000898675940	584148295	/nfs/dbraw/zinc/14/82/95/584148295.db2.gz	WSTZPGSHHDAXFD-UHFFFAOYSA-N	0	1	241.254	0.944	20	30		BCEDMN
C=C1CN(C(=O)CN(C)[C@H]2CCSC2)C1	ZINC000898699248	584149654	/nfs/dbraw/zinc/14/96/54/584149654.db2.gz	COGACXTXPRERHG-JTQLQIEISA-N	0	1	226.345	0.822	20	30		BCEDMN
C=C1CN(C(=O)C2CN([C@@H]3CCOC3)C2)C1	ZINC000898705734	584152946	/nfs/dbraw/zinc/15/29/46/584152946.db2.gz	MLLKWQGLDGRBNO-LLVKDONJSA-N	0	1	222.288	0.106	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@H]1CCN1C(C)(C)C	ZINC000898986948	584168459	/nfs/dbraw/zinc/16/84/59/584168459.db2.gz	RKYDIMLEFFOGSY-NXEZZACHSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=CCOCC(=O)N1CCC[C@H]1c1nnc[nH]1	ZINC000899102292	584175610	/nfs/dbraw/zinc/17/56/10/584175610.db2.gz	KFCAFXDVDRUCTO-VIFPVBQESA-N	0	1	236.275	0.671	20	30		BCEDMN
C#CC[C@H]1C(C)=NN(c2nccc(OC)n2)C1=O	ZINC000899347195	584199052	/nfs/dbraw/zinc/19/90/52/584199052.db2.gz	MLFWRSKDPDQNPD-VIFPVBQESA-N	0	1	244.254	0.847	20	30		BCEDMN
C#CC[C@@H]1C(=O)N(c2cnn(C)c2)N=C1C	ZINC000899354816	584201881	/nfs/dbraw/zinc/20/18/81/584201881.db2.gz	KFWZZQQCZABLPQ-JTQLQIEISA-N	0	1	216.244	0.782	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2cnn(C)c2)c1=O	ZINC000899354816	584201883	/nfs/dbraw/zinc/20/18/83/584201883.db2.gz	KFWZZQQCZABLPQ-JTQLQIEISA-N	0	1	216.244	0.782	20	30		BCEDMN
N#CCC1CN(C[C@H](O)C2(O)CCC2)C1	ZINC000899892130	584248759	/nfs/dbraw/zinc/24/87/59/584248759.db2.gz	NTLSHYGUWBWUET-JTQLQIEISA-N	0	1	210.277	0.108	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000900169068	584281857	/nfs/dbraw/zinc/28/18/57/584281857.db2.gz	QAAFPEROSUJWQE-YPMHNXCESA-N	0	1	240.347	0.866	20	30		BCEDMN
N#C[C@@]1(NC(=O)c2[nH]ncc2F)CCSC1	ZINC000900463780	584313796	/nfs/dbraw/zinc/31/37/96/584313796.db2.gz	GROBCZQBQYOYRY-VIFPVBQESA-N	0	1	240.263	0.678	20	30		BCEDMN
CC[C@H](C#N)NC(=O)c1cncc2nc[nH]c21	ZINC000900472726	584315055	/nfs/dbraw/zinc/31/50/55/584315055.db2.gz	XJXAFCNQSNGLJJ-SSDOTTSWSA-N	0	1	229.243	0.990	20	30		BCEDMN
CN[C@H](C)c1cn(Cc2cc(C#N)ccn2)nn1	ZINC000900629178	584333769	/nfs/dbraw/zinc/33/37/69/584333769.db2.gz	RHWNADCJRKCSHO-SECBINFHSA-N	0	1	242.286	0.873	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000900743065	584348328	/nfs/dbraw/zinc/34/83/28/584348328.db2.gz	WPUMEWMPSFDOLD-JBLDHEPKSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000900743064	584348359	/nfs/dbraw/zinc/34/83/59/584348359.db2.gz	WPUMEWMPSFDOLD-HOSYDEDBSA-N	0	1	226.320	0.522	20	30		BCEDMN
CC#CCN(CCOC)CCC(=O)OC	ZINC000116325401	588976730	/nfs/dbraw/zinc/97/67/30/588976730.db2.gz	SJABGQNRXMFXCS-UHFFFAOYSA-N	0	1	213.277	0.521	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@@H](C)CC[S@@](C)=O	ZINC000900885130	584361359	/nfs/dbraw/zinc/36/13/59/584361359.db2.gz	VFKIBORKBWTVRW-MGPLVRAMSA-N	0	1	246.376	0.378	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)cnc1F	ZINC000901217513	584401891	/nfs/dbraw/zinc/40/18/91/584401891.db2.gz	XGYQMZANJZWHFM-QMMMGPOBSA-N	0	1	235.266	0.800	20	30		BCEDMN
C(=NNC1=NCCN1)c1nccn1C1CC1	ZINC000901252913	584410047	/nfs/dbraw/zinc/41/00/47/584410047.db2.gz	REUULYGLVIYWHZ-UHFFFAOYSA-N	0	1	218.264	0.101	20	30		BCEDMN
C(=NNC1=NCCN1)c1cnn(CC2CCC2)c1	ZINC000901252490	584410383	/nfs/dbraw/zinc/41/03/83/584410383.db2.gz	HKZGEFPHZGNVIO-UHFFFAOYSA-N	0	1	246.318	0.566	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)Cc1cnc[nH]1	ZINC000901323872	584430243	/nfs/dbraw/zinc/43/02/43/584430243.db2.gz	XKIABIVLNVIVLU-VIFPVBQESA-N	0	1	223.276	0.253	20	30		BCEDMN
COC[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1	ZINC000902983460	584708816	/nfs/dbraw/zinc/70/88/16/584708816.db2.gz	ZSGVRIWRQIZUCV-GXSJLCMTSA-N	0	1	235.287	0.611	20	30		BCEDMN
CC#CCN1CC[C@@H](Nc2ncccn2)C1	ZINC000903024027	584721322	/nfs/dbraw/zinc/72/13/22/584721322.db2.gz	SJKYMVFBZFCASG-LLVKDONJSA-N	0	1	216.288	0.986	20	30		BCEDMN
C#CCCOC(=O)NCCN1CC=CCC1	ZINC000859142331	589008730	/nfs/dbraw/zinc/00/87/30/589008730.db2.gz	BFACFBVOOAERPO-UHFFFAOYSA-N	0	1	222.288	0.998	20	30		BCEDMN
C#CCCCS(=O)(=O)Nc1c[nH]nc1C#N	ZINC000903191269	584735849	/nfs/dbraw/zinc/73/58/49/584735849.db2.gz	RPVCYHLVGWKQHU-UHFFFAOYSA-N	0	1	238.272	0.436	20	30		BCEDMN
N#CC1(CN[C@H]2CCO[C@@]23CCOC3)CC1	ZINC000903218830	584737778	/nfs/dbraw/zinc/73/77/78/584737778.db2.gz	DJIXPRNXRFMTFQ-CMPLNLGQSA-N	0	1	222.288	0.828	20	30		BCEDMN
CCCCN(O)C(=O)[C@H]1CN2CCN1CCC2	ZINC000904211686	584854065	/nfs/dbraw/zinc/85/40/65/584854065.db2.gz	AIHLHPLZPWGAEJ-LLVKDONJSA-N	0	1	241.335	0.394	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NCc2ccc(N)nn2)C1	ZINC000904373078	584874053	/nfs/dbraw/zinc/87/40/53/584874053.db2.gz	APWAHCCNMLHIOU-DTWKUNHWSA-N	0	1	217.276	0.841	20	30		BCEDMN
NC(=O)CNN=C1CC[C@H]2CNc3cccc1c32	ZINC000814904101	584895069	/nfs/dbraw/zinc/89/50/69/584895069.db2.gz	RAAYCSATLMOQNU-QMMMGPOBSA-N	0	1	244.298	0.769	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373832	584912839	/nfs/dbraw/zinc/91/28/39/584912839.db2.gz	FBVZDUCDWHKUFP-ZJUUUORDSA-N	0	1	241.287	0.901	20	30		BCEDMN
C[C@H](OCC1CC1)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834493395	584913657	/nfs/dbraw/zinc/91/36/57/584913657.db2.gz	DFPGFMWTQBHKOU-LSJOCFKGSA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C=C1CCCC1	ZINC000834500177	584913671	/nfs/dbraw/zinc/91/36/71/584913671.db2.gz	QOUFJVCHDPXBJK-WDEREUQCSA-N	0	1	219.288	0.715	20	30		BCEDMN
C#CCNC(=O)CN[C@@](C)(CO)c1ccccc1	ZINC000731844817	584929641	/nfs/dbraw/zinc/92/96/41/584929641.db2.gz	VZVRIMXLYWCFDA-AWEZNQCLSA-N	0	1	246.310	0.233	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)Nc1nnc(C)[nH]1	ZINC000732072521	584933467	/nfs/dbraw/zinc/93/34/67/584933467.db2.gz	JPDWDXCUOVQSJH-VIFPVBQESA-N	0	1	233.275	0.149	20	30		BCEDMN
COCC1CCN(CC(=O)NCCC#N)CC1	ZINC000732812009	584941374	/nfs/dbraw/zinc/94/13/74/584941374.db2.gz	ZJLOFQRIPZWWON-UHFFFAOYSA-N	0	1	239.319	0.375	20	30		BCEDMN
C#CCCNC(=O)c1[nH]nc2c1CCC2	ZINC000733287309	584945740	/nfs/dbraw/zinc/94/57/40/584945740.db2.gz	BMCBXKCUJBVLIH-UHFFFAOYSA-N	0	1	203.245	0.652	20	30		BCEDMN
Cn1ncc(CN=Nc2cccc(F)n2)n1	ZINC000814927720	584950239	/nfs/dbraw/zinc/95/02/39/584950239.db2.gz	BQMTUHPXGBAYGK-UHFFFAOYSA-N	0	1	220.211	0.795	20	30		BCEDMN
CCCCOC(=O)CNC(=O)C(C)C#N	ZINC000736674867	585009130	/nfs/dbraw/zinc/00/91/30/585009130.db2.gz	WIPCZFFEBSWOQM-QMMMGPOBSA-N	0	1	212.249	0.606	20	30		BCEDMN
CCCCOC(=O)CNC(=O)C(C)C#N	ZINC000736674866	585009157	/nfs/dbraw/zinc/00/91/57/585009157.db2.gz	WIPCZFFEBSWOQM-MRVPVSSYSA-N	0	1	212.249	0.606	20	30		BCEDMN
C=CCONC(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000838706866	585065479	/nfs/dbraw/zinc/06/54/79/585065479.db2.gz	DFXINNIBNXJGGX-VIFPVBQESA-N	0	1	213.281	0.497	20	30		BCEDMN
C=CCONC(=O)NCC[N@H+](C)CCCOC	ZINC000838706967	585065498	/nfs/dbraw/zinc/06/54/98/585065498.db2.gz	XIOATLYTMBOUKI-UHFFFAOYSA-N	0	1	245.323	0.372	20	30		BCEDMN
C=CCONC(=O)NCCN1CC=CCC1	ZINC000838711626	585066698	/nfs/dbraw/zinc/06/66/98/585066698.db2.gz	UKXZZSUCXODJDT-UHFFFAOYSA-N	0	1	225.292	0.665	20	30		BCEDMN
C=CCOCCCC(=O)OCc1c[nH]nn1	ZINC000838899145	585079469	/nfs/dbraw/zinc/07/94/69/585079469.db2.gz	HCVKFEACIGFIDL-UHFFFAOYSA-N	0	1	225.248	0.831	20	30		BCEDMN
CS[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1	ZINC000103330216	585098198	/nfs/dbraw/zinc/09/81/98/585098198.db2.gz	LVEUQJBNEZECKP-XPUUQOCRSA-N	0	1	226.301	0.725	20	30		BCEDMN
C#Cc1ccc(C(=O)N2CCNC(C)(C)C2)nc1	ZINC000747927890	585185827	/nfs/dbraw/zinc/18/58/27/585185827.db2.gz	VJJHCCOHCCYFHT-UHFFFAOYSA-N	0	1	243.310	0.887	20	30		BCEDMN
C#CCN1CCC[C@H]1C(=O)N[C@@H](C)c1nnc[nH]1	ZINC000748379558	585191921	/nfs/dbraw/zinc/19/19/21/585191921.db2.gz	OUAAPQUYUHNHAP-UWVGGRQHSA-N	0	1	247.302	0.080	20	30		BCEDMN
C#CCOCCNC(=O)[C@H]1CCCCN1C	ZINC000753240194	585255914	/nfs/dbraw/zinc/25/59/14/585255914.db2.gz	OUFQXESRSAHNCB-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
C[C@H]1CC(=Nn2cnnc2)CN1C1CC1	ZINC000753968346	585273986	/nfs/dbraw/zinc/27/39/86/585273986.db2.gz	VLXFGMYPXOEXTN-QMMMGPOBSA-N	0	1	205.265	0.739	20	30		BCEDMN
C#CC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1	ZINC000754021654	585275470	/nfs/dbraw/zinc/27/54/70/585275470.db2.gz	JQQCRRYBMZHOKU-UHFFFAOYSA-N	0	1	244.229	0.860	20	30		BCEDMN
C#CC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000754021654	585275471	/nfs/dbraw/zinc/27/54/71/585275471.db2.gz	JQQCRRYBMZHOKU-UHFFFAOYSA-N	0	1	244.229	0.860	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCN(CC)[C@@H](C)C1	ZINC000754388049	585283828	/nfs/dbraw/zinc/28/38/28/585283828.db2.gz	SJRRHJMVIZBUAL-NWDGAFQWSA-N	0	1	237.347	0.150	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@@]2(CCOC2)C1	ZINC000756902925	585324895	/nfs/dbraw/zinc/32/48/95/585324895.db2.gz	FCEBSIQHBXQCAO-GFCCVEGCSA-N	0	1	237.303	0.129	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839574416	585330660	/nfs/dbraw/zinc/33/06/60/585330660.db2.gz	KXCDETSGORFCRE-IWSPIJDZSA-N	0	1	225.248	0.660	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839699272	585335720	/nfs/dbraw/zinc/33/57/20/585335720.db2.gz	FNDHZHDXVCAPGR-XLPZGREQSA-N	0	1	211.221	0.412	20	30		BCEDMN
CCN(CCC#N)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839702249	585335851	/nfs/dbraw/zinc/33/58/51/585335851.db2.gz	WKJCQGHRCHKGDZ-HTQZYQBOSA-N	0	1	211.221	0.414	20	30		BCEDMN
N#CCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839751297	585340259	/nfs/dbraw/zinc/34/02/59/585340259.db2.gz	XSNJQZFFEZXDQU-HTQZYQBOSA-N	0	1	223.232	0.462	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839789377	585342189	/nfs/dbraw/zinc/34/21/89/585342189.db2.gz	ZZZUXQBINQEFBX-IWSPIJDZSA-N	0	1	228.248	0.095	20	30		BCEDMN
C#CCNC(=S)N1CCN(CC(C)C)CC1	ZINC000758179855	585351124	/nfs/dbraw/zinc/35/11/24/585351124.db2.gz	HTKKOPNUBFNGPJ-UHFFFAOYSA-N	0	1	239.388	0.768	20	30		BCEDMN
C[C@H](CO)NN=Cc1ccc(N2CCCC2)nc1	ZINC000758377722	585355197	/nfs/dbraw/zinc/35/51/97/585355197.db2.gz	CFDDXEQLTVRKTF-LLVKDONJSA-N	0	1	248.330	0.986	20	30		BCEDMN
N#CCCNC(=O)CN1CCC2(CCC2)C1	ZINC000758739593	585359429	/nfs/dbraw/zinc/35/94/29/585359429.db2.gz	QVPGYZDKKNXDCI-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
N#CCn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1	ZINC000760508444	585393443	/nfs/dbraw/zinc/39/34/43/585393443.db2.gz	BXUOJPNFOKZRPX-UHFFFAOYSA-N	0	1	245.202	0.848	20	30		BCEDMN
Cc1nnc(N=NC2C[C@@H](C)[N@H+](C)C2)[n-]c1=O	ZINC000761801356	585418930	/nfs/dbraw/zinc/41/89/30/585418930.db2.gz	MMOBDFSTKLJCJE-ZCFIWIBFSA-N	0	1	236.279	0.378	20	30		BCEDMN
Cn1cc(NN=Cc2cn3cccnc3n2)cn1	ZINC000761864833	585420766	/nfs/dbraw/zinc/42/07/66/585420766.db2.gz	IKGDUOINQQZTPH-UHFFFAOYSA-N	0	1	241.258	0.909	20	30		BCEDMN
CC(C#N)C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC000762044127	585425129	/nfs/dbraw/zinc/42/51/29/585425129.db2.gz	MGYPKLKSPRYHST-BQBZGAKWSA-N	0	1	210.233	0.356	20	30		BCEDMN
CNC(=O)NCC(=O)Nc1cc(C#N)ccc1O	ZINC000762076728	585425813	/nfs/dbraw/zinc/42/58/13/585425813.db2.gz	MJYJYSOBHYSJST-UHFFFAOYSA-N	0	1	248.242	0.131	20	30		BCEDMN
C#C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCO1	ZINC000763780909	585454180	/nfs/dbraw/zinc/45/41/80/585454180.db2.gz	OFKLTURGDNJEKW-SRVKXCTJSA-N	0	1	249.310	0.853	20	30		BCEDMN
C=C(Cl)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000764302813	585463436	/nfs/dbraw/zinc/46/34/36/585463436.db2.gz	JTUYOTRSCHMPNK-UHFFFAOYSA-N	0	1	230.611	0.800	20	30		BCEDMN
CCCS(=O)(=O)C=C(O)NC1=NO[C@@H](C)C1	ZINC000765374403	585484564	/nfs/dbraw/zinc/48/45/64/585484564.db2.gz	XHEHNNQANXPNNA-ZETCQYMHSA-N	0	1	248.304	0.050	20	30		BCEDMN
C#CCNC(=S)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000765509186	585488823	/nfs/dbraw/zinc/48/88/23/585488823.db2.gz	BZLHDOMDCPDKFE-MNOVXSKESA-N	0	1	239.388	0.909	20	30		BCEDMN
C[C@H](C#N)CNN=C1CCN2CCC[C@@H]12	ZINC000765582132	585490136	/nfs/dbraw/zinc/49/01/36/585490136.db2.gz	CAWMXEHJBAQHNB-KOLCDFICSA-N	0	1	206.293	0.960	20	30		BCEDMN
C[C@@H]1CN(CC(=O)NCCC#N)[C@H](C)CN1C	ZINC000768765867	585543011	/nfs/dbraw/zinc/54/30/11/585543011.db2.gz	VNXHLHZFULTWOG-GHMZBOCLSA-N	0	1	238.335	0.041	20	30		BCEDMN
C#CCOCCC(=O)N1C[C@H](C)N(C)C[C@H]1C	ZINC000768845373	585544639	/nfs/dbraw/zinc/54/46/39/585544639.db2.gz	HZQBAVVAVMRFEM-NWDGAFQWSA-N	0	1	238.331	0.577	20	30		BCEDMN
N#CCCNC(=O)CN1CCC12CCOCC2	ZINC000769891379	585565966	/nfs/dbraw/zinc/56/59/66/585565966.db2.gz	CAWREDXIAFXAAD-UHFFFAOYSA-N	0	1	237.303	0.271	20	30		BCEDMN
C[C@@H]1[C@@H](C)N(CC(=O)NCCC#N)CCN1C	ZINC000771463832	585594828	/nfs/dbraw/zinc/59/48/28/585594828.db2.gz	ZRPZJBJXUJAMEJ-GHMZBOCLSA-N	0	1	238.335	0.041	20	30		BCEDMN
CON=CC(=O)N1CCN(C(C)C)CC1	ZINC000773772135	585643692	/nfs/dbraw/zinc/64/36/92/585643692.db2.gz	JUMBSVLVSXOARF-UHFFFAOYSA-N	0	1	213.281	0.171	20	30		BCEDMN
CCOCCON=C1CN(C)C[C@@H]1C	ZINC000774436704	585658758	/nfs/dbraw/zinc/65/87/58/585658758.db2.gz	UTTKWHNSSNXTGM-VIFPVBQESA-N	0	1	200.282	0.977	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](CCO)c1ccccc1	ZINC000774858990	585667872	/nfs/dbraw/zinc/66/78/72/585667872.db2.gz	YOPYKVNGCXCSFK-ZDUSSCGKSA-N	0	1	246.310	0.449	20	30		BCEDMN
C#C[C@@H](NCc1cnn(C)c1C)[C@@H]1CCCO1	ZINC000775352959	585676611	/nfs/dbraw/zinc/67/66/11/585676611.db2.gz	YTYGBVQTPSDVKR-OLZOCXBDSA-N	0	1	233.315	0.999	20	30		BCEDMN
C#CCNC(=O)CCN[C@H](C)c1nccn1C	ZINC000775379698	585676896	/nfs/dbraw/zinc/67/68/96/585676896.db2.gz	FEWRUQLIRWDKPK-SNVBAGLBSA-N	0	1	234.303	0.210	20	30		BCEDMN
C#C[C@H](N[C@H](C)C(=O)NCC=C)[C@H]1CCCO1	ZINC000775801399	585685489	/nfs/dbraw/zinc/68/54/89/585685489.db2.gz	XSIXOPRMMWFJTP-GRYCIOLGSA-N	0	1	236.315	0.448	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)CCCC(N)=O)c1	ZINC000776348207	585696285	/nfs/dbraw/zinc/69/62/85/585696285.db2.gz	IVTAZTFACWSQSE-UHFFFAOYSA-N	0	1	247.254	0.858	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2CCCN2C)=NO1	ZINC000777434763	585712112	/nfs/dbraw/zinc/71/21/12/585712112.db2.gz	AWIUFANKBMGCNR-YUMQZZPRSA-N	0	1	211.265	0.319	20	30		BCEDMN
C#CCC[NH+]1CCN(C[C@H](O)CSC)CC1	ZINC000778096743	585725611	/nfs/dbraw/zinc/72/56/11/585725611.db2.gz	YXWNERLEPYJDHO-LBPRGKRZSA-N	0	1	242.388	0.351	20	30		BCEDMN
N#CCn1cc(NC(=O)c2ncccc2O)cn1	ZINC000778629422	585738217	/nfs/dbraw/zinc/73/82/17/585738217.db2.gz	MWPWWDYKGOHQCY-UHFFFAOYSA-N	0	1	243.226	0.760	20	30		BCEDMN
CCOc1cccc(C=NNC2=NC[C@@H](C)N2)n1	ZINC000779783257	585762947	/nfs/dbraw/zinc/76/29/47/585762947.db2.gz	IPNQUIQBFMIVMH-SECBINFHSA-N	0	1	247.302	0.752	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@H](C)N2)c(C)[nH]1	ZINC000779791652	585763716	/nfs/dbraw/zinc/76/37/16/585763716.db2.gz	DWBWVJKJAZQHHI-QMMMGPOBSA-N	0	1	219.292	0.903	20	30		BCEDMN
CCc1ncc(C=NNC2=NC[C@@H](C)N2)s1	ZINC000779793924	585764066	/nfs/dbraw/zinc/76/40/66/585764066.db2.gz	CFWYKAXKIMAIDD-SSDOTTSWSA-N	0	1	237.332	0.977	20	30		BCEDMN
COc1ccc(O)c(C=NNC2=NC[C@H](C)N2)c1	ZINC000779795533	585764359	/nfs/dbraw/zinc/76/43/59/585764359.db2.gz	VPTHCXGJIQTQRZ-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
COc1ccccc1C=NNC1=NC[C@@H](C)N1	ZINC000779799620	585764620	/nfs/dbraw/zinc/76/46/20/585764620.db2.gz	KVAACTQFCVKNDV-SECBINFHSA-N	0	1	232.287	0.966	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc(C(N)=O)c2)N1	ZINC000779801811	585765041	/nfs/dbraw/zinc/76/50/41/585765041.db2.gz	YEMCNNJEXDLHAY-MRVPVSSYSA-N	0	1	245.286	0.057	20	30		BCEDMN
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NO	ZINC000782172326	585809024	/nfs/dbraw/zinc/80/90/24/585809024.db2.gz	QLTLPXKWJKVTED-ZCFIWIBFSA-N	0	1	248.242	0.187	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1nccnc1C	ZINC000783523702	585835958	/nfs/dbraw/zinc/83/59/58/585835958.db2.gz	IJYPYXIYTPBPHP-ZETCQYMHSA-N	0	1	232.291	0.446	20	30		BCEDMN
CO[C@H]1CN(CC(=O)NCCC#N)CC[C@@H]1C	ZINC000784363359	585857261	/nfs/dbraw/zinc/85/72/61/585857261.db2.gz	AFMALYVWAXNYKA-QWRGUYRKSA-N	0	1	239.319	0.373	20	30		BCEDMN
C=CCNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784490207	585860957	/nfs/dbraw/zinc/86/09/57/585860957.db2.gz	CTRFCWGGLDOQEN-DTWKUNHWSA-N	0	1	226.251	0.992	20	30		BCEDMN
C=CCNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784490203	585861164	/nfs/dbraw/zinc/86/11/64/585861164.db2.gz	CTRFCWGGLDOQEN-BDAKNGLRSA-N	0	1	226.251	0.992	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784491387	585861302	/nfs/dbraw/zinc/86/13/02/585861302.db2.gz	SVFISBBKGNXZPV-DTWKUNHWSA-N	0	1	244.266	0.452	20	30		BCEDMN
C#C[C@@H](NCc1ccnc(N)c1)[C@@H]1CCCO1	ZINC000785814400	585881254	/nfs/dbraw/zinc/88/12/54/585881254.db2.gz	NBGSCCTVGWTUAI-NEPJUHHUSA-N	0	1	231.299	0.934	20	30		BCEDMN
COC(C)(C)CC(=O)C(C#N)C(=O)NC1CC1	ZINC000786305367	585889309	/nfs/dbraw/zinc/88/93/09/585889309.db2.gz	DNYXCRMPTGHUKN-SECBINFHSA-N	0	1	238.287	0.789	20	30		BCEDMN
Cn1ncc(C(=O)Nc2cc(C#N)ccc2O)n1	ZINC000786465281	585892041	/nfs/dbraw/zinc/89/20/41/585892041.db2.gz	IUZNYZJOHKFTFW-UHFFFAOYSA-N	0	1	243.226	0.645	20	30		BCEDMN
C=CCOCCCC(=O)Nc1c[nH]nn1	ZINC000789926905	585953336	/nfs/dbraw/zinc/95/33/36/585953336.db2.gz	ZSRCBWMIGRAGHT-UHFFFAOYSA-N	0	1	210.237	0.726	20	30		BCEDMN
CCN(C)c1ccc(C=NNCCCO)cn1	ZINC000790162183	585959042	/nfs/dbraw/zinc/95/90/42/585959042.db2.gz	RIVKPFOVOYLNCR-UHFFFAOYSA-N	0	1	236.319	0.844	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1nccn1C	ZINC000790301688	585962974	/nfs/dbraw/zinc/96/29/74/585962974.db2.gz	HBCAXUYRXJCBFV-QMMMGPOBSA-N	0	1	207.281	0.770	20	30		BCEDMN
Cn1ccnc1NN=Cc1ccnn1C	ZINC000790302681	585963175	/nfs/dbraw/zinc/96/31/75/585963175.db2.gz	WZQAXVGNKVFYHB-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
C[C@H]1CC(N=Nc2nccn2C)CN1C	ZINC000790305264	585963494	/nfs/dbraw/zinc/96/34/94/585963494.db2.gz	HIPCGXUUXRAZQN-QMMMGPOBSA-N	0	1	207.281	0.912	20	30		BCEDMN
COc1cncc(C(=O)NC2=NO[C@@H](C)C2)n1	ZINC000790827667	585970048	/nfs/dbraw/zinc/97/00/48/585970048.db2.gz	WOHBLODSRXGEGU-LURJTMIESA-N	0	1	236.231	0.337	20	30		BCEDMN
COc1cncc(C(=O)NC2=NO[C@H](C)C2)n1	ZINC000790827668	585970123	/nfs/dbraw/zinc/97/01/23/585970123.db2.gz	WOHBLODSRXGEGU-ZCFIWIBFSA-N	0	1	236.231	0.337	20	30		BCEDMN
O=C1C=C(NN=c2[nH]cncc2F)[C@H]2CCCN12	ZINC000793212226	586013982	/nfs/dbraw/zinc/01/39/82/586013982.db2.gz	WFOVUHZDIQMDPU-SECBINFHSA-N	0	1	249.249	0.778	20	30		BCEDMN
C#CCOCCNC(=O)CCc1cnc[nH]1	ZINC000793812482	586027076	/nfs/dbraw/zinc/02/70/76/586027076.db2.gz	PIEYQFMRVVKTRC-UHFFFAOYSA-N	0	1	221.260	0.108	20	30		BCEDMN
C[C@H]1COC(=O)C1N=Nc1cccnn1	ZINC000794908482	586054141	/nfs/dbraw/zinc/05/41/41/586054141.db2.gz	KHVLXWPAELHDBA-LURJTMIESA-N	0	1	206.205	0.437	20	30		BCEDMN
COC(=O)[C@H]1[C@@H]2CN(CCO[C@@H](C)C#N)C[C@@H]21	ZINC000794991917	586062057	/nfs/dbraw/zinc/06/20/57/586062057.db2.gz	OWZRRAUMLDTSOI-UKKRHICBSA-N	0	1	238.287	0.266	20	30		BCEDMN
N#C[C@H]1CN(Cc2cnc[nH]2)CCN1C1CC1	ZINC000796445095	586103425	/nfs/dbraw/zinc/10/34/25/586103425.db2.gz	JJVOGRJGWVUBTG-LBPRGKRZSA-N	0	1	231.303	0.582	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)[C@H]1CCCCN1C	ZINC000799070694	586155627	/nfs/dbraw/zinc/15/56/27/586155627.db2.gz	SJCWVAHNBFKNPO-NWDGAFQWSA-N	0	1	238.331	0.361	20	30		BCEDMN
Cc1ccc(C(=O)NCc2nn[nH]n2)cc1C#N	ZINC000799627786	586186930	/nfs/dbraw/zinc/18/69/30/586186930.db2.gz	KVOTXGVKANTFDC-UHFFFAOYSA-N	0	1	242.242	0.310	20	30		BCEDMN
Cc1cc(C)cc([C@H](O)CNCC#CCO)c1	ZINC000843080228	586225441	/nfs/dbraw/zinc/22/54/41/586225441.db2.gz	QTEMDDRRFOUKOS-CQSZACIVSA-N	0	1	233.311	0.922	20	30		BCEDMN
CC#CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000801180320	586245969	/nfs/dbraw/zinc/24/59/69/586245969.db2.gz	VSXYQHCXXZHTIR-GHMZBOCLSA-N	0	1	208.305	0.951	20	30		BCEDMN
CCCCCN(CCO[C@@H](C)C#N)CC(N)=O	ZINC000801938087	586279225	/nfs/dbraw/zinc/27/92/25/586279225.db2.gz	BZCZOBBVBQSYIZ-NSHDSACASA-N	0	1	241.335	0.893	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCCC[C@]1(C)C(N)=O	ZINC000801940344	586279657	/nfs/dbraw/zinc/27/96/57/586279657.db2.gz	AEULURGBCGDCNF-CMPLNLGQSA-N	0	1	239.319	0.645	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1C(F)F	ZINC000802041049	586286572	/nfs/dbraw/zinc/28/65/72/586286572.db2.gz	OLTQOEOIXDQZNJ-BIIVOSGPSA-N	0	1	242.225	0.875	20	30		BCEDMN
C#CC(=O)N1CC(N(C)Cc2ccccc2)C1	ZINC000804535959	586398756	/nfs/dbraw/zinc/39/87/56/586398756.db2.gz	ZBOLTMJDVVREKU-UHFFFAOYSA-N	0	1	228.295	0.962	20	30		BCEDMN
C(=NNc1ncnc2nc[nH]c21)c1cnccn1	ZINC000807965240	586453507	/nfs/dbraw/zinc/45/35/07/586453507.db2.gz	OXBAMNIIDIBSNA-UHFFFAOYSA-N	0	1	240.230	0.589	20	30		BCEDMN
C(=NNC1=N[C@H]2CCCC[C@H]2N1)c1cnccn1	ZINC000807979059	586454335	/nfs/dbraw/zinc/45/43/35/586454335.db2.gz	LWJSOTAHWMNLKQ-PHIMTYICSA-N	0	1	244.302	0.671	20	30		BCEDMN
C[C@@H]1CC(N=Nc2nc[nH]n2)CN1C1CC1	ZINC000807997931	586456639	/nfs/dbraw/zinc/45/66/39/586456639.db2.gz	INUKIVDMLSCPRU-SSDOTTSWSA-N	0	1	220.280	0.829	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@](CO)(CCC)C1	ZINC000808796192	586490517	/nfs/dbraw/zinc/49/05/17/586490517.db2.gz	GVYNCQHCRYAYML-CYBMUJFWSA-N	0	1	238.331	0.220	20	30		BCEDMN
N#CC[C@@H](O)CN1CCS[C@@H]2COCC[C@@H]21	ZINC000809576539	586507808	/nfs/dbraw/zinc/50/78/08/586507808.db2.gz	CGLWQIDXHZXUJJ-OUAUKWLOSA-N	0	1	242.344	0.467	20	30		BCEDMN
N#Cc1cccc(C(=O)OCCc2c[nH]nn2)n1	ZINC000810596555	586541871	/nfs/dbraw/zinc/54/18/71/586541871.db2.gz	WGSCNAWBFULIRV-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
N#Cc1cccc(C(=O)OCCc2cnn[nH]2)n1	ZINC000810596555	586541872	/nfs/dbraw/zinc/54/18/72/586541872.db2.gz	WGSCNAWBFULIRV-UHFFFAOYSA-N	0	1	243.226	0.471	20	30		BCEDMN
CON(C)C(=O)CCN(C)CC(C)(C)C#N	ZINC000814668914	586627888	/nfs/dbraw/zinc/62/78/88/586627888.db2.gz	IJMIWFIKPGHAAX-UHFFFAOYSA-N	0	1	227.308	0.878	20	30		BCEDMN
CCCNN=Cc1cnc(N(C)C)nc1	ZINC000814804338	586635965	/nfs/dbraw/zinc/63/59/65/586635965.db2.gz	KTRHCYVXUCWHAX-UHFFFAOYSA-N	0	1	207.281	0.876	20	30		BCEDMN
Cn1ccc(C=NNc2ncnc3nc[nH]c32)n1	ZINC000814813937	586637174	/nfs/dbraw/zinc/63/71/74/586637174.db2.gz	OYPFADXTYMBESE-UHFFFAOYSA-N	0	1	242.246	0.532	20	30		BCEDMN
CN(C)c1nccc(N=NCc2cocn2)n1	ZINC000814854937	586639303	/nfs/dbraw/zinc/63/93/03/586639303.db2.gz	CTMJBIUEXFGWGV-UHFFFAOYSA-N	0	1	232.247	0.977	20	30		BCEDMN
C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cncnc1	ZINC000814886113	586642884	/nfs/dbraw/zinc/64/28/84/586642884.db2.gz	RZCXKAKXQVXDQO-GHMZBOCLSA-N	0	1	244.302	0.671	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1ccc(N)nc1	ZINC000814897762	586645472	/nfs/dbraw/zinc/64/54/72/586645472.db2.gz	MSISSDHKANEIAO-ZETCQYMHSA-N	0	1	232.291	0.325	20	30		BCEDMN
COC(=O)c1cc(CN=Nc2nc[nH]n2)on1	ZINC000814932062	586653514	/nfs/dbraw/zinc/65/35/14/586653514.db2.gz	MLVLTVICVLODKE-UHFFFAOYSA-N	0	1	236.191	0.025	20	30		BCEDMN
CN(C)c1ccc(C=NNCCO)cc1F	ZINC000814942377	586656499	/nfs/dbraw/zinc/65/64/99/586656499.db2.gz	XKJWEBKDYPONOM-UHFFFAOYSA-N	0	1	225.267	0.808	20	30		BCEDMN
CN(C)c1ccncc1C=NNCCO	ZINC000814944319	586657664	/nfs/dbraw/zinc/65/76/64/586657664.db2.gz	ZLMVBPYOLUIWSW-UHFFFAOYSA-N	0	1	208.265	0.063	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1cnnn1C	ZINC000814979512	586662582	/nfs/dbraw/zinc/66/25/82/586662582.db2.gz	KLWYHGQKYLRWSH-SSDOTTSWSA-N	0	1	208.269	0.165	20	30		BCEDMN
CCn1cc(C(C)N=Nc2cnnn2C)cn1	ZINC000814982992	586663278	/nfs/dbraw/zinc/66/32/78/586663278.db2.gz	XQJLWORJOVTWJO-UHFFFAOYSA-N	0	1	233.279	0.868	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cnnn2C)CN1C	ZINC000814982273	586663505	/nfs/dbraw/zinc/66/35/05/586663505.db2.gz	UALGRPNGVPOFMC-SSDOTTSWSA-N	0	1	208.269	0.307	20	30		BCEDMN
C#CCNC(=O)CCN1CC2(C1)CC(F)(F)C2	ZINC000815079244	586665963	/nfs/dbraw/zinc/66/59/63/586665963.db2.gz	NXECAFBEAIIQIE-UHFFFAOYSA-N	0	1	242.269	0.857	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCc1nnc[nH]1	ZINC000815104030	586666890	/nfs/dbraw/zinc/66/68/90/586666890.db2.gz	BCVIHPPCXDYWJG-UHFFFAOYSA-N	0	1	216.191	0.632	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCc1nn[nH]n1	ZINC000815557803	586687585	/nfs/dbraw/zinc/68/75/85/586687585.db2.gz	FPOHPJRTMPWTNY-UHFFFAOYSA-N	0	1	217.179	0.027	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCCc1nc[nH]n1	ZINC000815703628	586692042	/nfs/dbraw/zinc/69/20/42/586692042.db2.gz	JWCDAHHMVWQVPU-UHFFFAOYSA-N	0	1	230.218	0.675	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000816673923	586754147	/nfs/dbraw/zinc/75/41/47/586754147.db2.gz	MFJZNFAHMYQFGG-MRVPVSSYSA-N	0	1	233.271	0.012	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCO[C@@H]3C[C@@H]32)CC1	ZINC000816900152	586770114	/nfs/dbraw/zinc/77/01/14/586770114.db2.gz	IQLJTSZHVQXDAE-QWHCGFSZSA-N	0	1	248.326	0.331	20	30		BCEDMN
C=C[C@@H](O)C(=O)NCCCc1cn[nH]c1C	ZINC000816913410	586771270	/nfs/dbraw/zinc/77/12/70/586771270.db2.gz	IMBHBYPUAUOVFO-SNVBAGLBSA-N	0	1	223.276	0.314	20	30		BCEDMN
C#C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000817165639	586784996	/nfs/dbraw/zinc/78/49/96/586784996.db2.gz	OGCLTFVKIMNKFG-QWRGUYRKSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCC1CC1	ZINC000817408176	586801334	/nfs/dbraw/zinc/80/13/34/586801334.db2.gz	NFBCJZNYUFSQGI-LBPRGKRZSA-N	0	1	236.315	0.932	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000817668508	586817233	/nfs/dbraw/zinc/81/72/33/586817233.db2.gz	HFUJDPGEQVLTGZ-ZJUUUORDSA-N	0	1	238.287	0.016	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000817668508	586817234	/nfs/dbraw/zinc/81/72/34/586817234.db2.gz	HFUJDPGEQVLTGZ-ZJUUUORDSA-N	0	1	238.287	0.016	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817680996	586817768	/nfs/dbraw/zinc/81/77/68/586817768.db2.gz	BNUUEQDRVNQCEW-UWVGGRQHSA-N	0	1	213.277	0.720	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H](CCF)C1	ZINC000859908626	589069712	/nfs/dbraw/zinc/06/97/12/589069712.db2.gz	OBXNWLDFYZMKKR-LLVKDONJSA-N	0	1	242.294	0.186	20	30		BCEDMN
CC[C@@H]1CN(C)CCN1C(=O)C=NOC	ZINC000818977708	586919585	/nfs/dbraw/zinc/91/95/85/586919585.db2.gz	KEYZPHQBFPVFSZ-SECBINFHSA-N	0	1	213.281	0.171	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)C[C@@H]1CC	ZINC000818972715	586919307	/nfs/dbraw/zinc/91/93/07/586919307.db2.gz	YGHGHMOTMFHFHS-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
N#CCSCCC[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000819090827	586930315	/nfs/dbraw/zinc/93/03/15/586930315.db2.gz	FOSUIPFTLFAQEC-VIFPVBQESA-N	0	1	244.316	0.419	20	30		BCEDMN
CCOC(=O)CC[C@H](O)CNCCC#N	ZINC000819269392	586945381	/nfs/dbraw/zinc/94/53/81/586945381.db2.gz	GZGGMLYEDDAEQF-VIFPVBQESA-N	0	1	214.265	0.194	20	30		BCEDMN
CON(C)C(=O)CCNCC1(C#N)CCC1	ZINC000819376368	586958421	/nfs/dbraw/zinc/95/84/21/586958421.db2.gz	BBALCZFNJRJMOE-UHFFFAOYSA-N	0	1	225.292	0.680	20	30		BCEDMN
C=C(C)C[N@H+](CC)CC(=O)NCC(=O)[O-]	ZINC000819706291	586987538	/nfs/dbraw/zinc/98/75/38/586987538.db2.gz	ULAKQAOCYMBXPY-UHFFFAOYSA-N	0	1	214.265	0.085	20	30		BCEDMN
C=C(Cl)CNC(=O)CCCc1nn[nH]n1	ZINC000820111884	587022822	/nfs/dbraw/zinc/02/28/22/587022822.db2.gz	VTYLPFQDTSSXLE-UHFFFAOYSA-N	0	1	229.671	0.391	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CC	ZINC000820401064	587046491	/nfs/dbraw/zinc/04/64/91/587046491.db2.gz	VNISIXHNTRXMMP-QWRGUYRKSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CC	ZINC000820401065	587046543	/nfs/dbraw/zinc/04/65/43/587046543.db2.gz	VNISIXHNTRXMMP-WDEREUQCSA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCCN1CC=CCC1	ZINC000820413362	587047175	/nfs/dbraw/zinc/04/71/75/587047175.db2.gz	YWPNJUVQQAWBAC-LLVKDONJSA-N	0	1	221.304	0.569	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000820423001	587047702	/nfs/dbraw/zinc/04/77/02/587047702.db2.gz	QCGWTRYAMIWYPL-RQJHMYQMSA-N	0	1	207.237	0.187	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000820423777	587047743	/nfs/dbraw/zinc/04/77/43/587047743.db2.gz	WNGXSLBPFHWVJS-JGVFFNPUSA-N	0	1	235.291	0.749	20	30		BCEDMN
C=CCCn1cc(C(=O)OCc2c[nH]nn2)nn1	ZINC000821046674	587090885	/nfs/dbraw/zinc/09/08/85/587090885.db2.gz	FEBHQYMRUYLVKZ-UHFFFAOYSA-N	0	1	248.246	0.329	20	30		BCEDMN
CCc1cc(C(=O)NC2=NO[C@@H](C)C2)n(C)n1	ZINC000821394290	587116037	/nfs/dbraw/zinc/11/60/37/587116037.db2.gz	JBUYLTMJUVXBEY-ZETCQYMHSA-N	0	1	236.275	0.835	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CCCc1nn[nH]n1	ZINC000822472503	587170112	/nfs/dbraw/zinc/17/01/12/587170112.db2.gz	KYJMZKMCOSMMNO-QMMMGPOBSA-N	0	1	221.264	0.003	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C	ZINC000822473162	587170283	/nfs/dbraw/zinc/17/02/83/587170283.db2.gz	TYFLKTWCXGDJMT-MNOVXSKESA-N	0	1	208.305	0.951	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822473469	587170742	/nfs/dbraw/zinc/17/07/42/587170742.db2.gz	XZHYAUWCZLXROX-OPRDCNLKSA-N	0	1	217.272	0.993	20	30		BCEDMN
C#CC[N@H+](CC)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000823451512	587222858	/nfs/dbraw/zinc/22/28/58/587222858.db2.gz	XKWIFEFSBZHODP-JTQLQIEISA-N	0	1	210.277	0.941	20	30		BCEDMN
C=C(C)C[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480547	587225100	/nfs/dbraw/zinc/22/51/00/587225100.db2.gz	GDHOWHZXEUWDIZ-ZJUUUORDSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=C(C)C[N@H+]1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480547	587225102	/nfs/dbraw/zinc/22/51/02/587225102.db2.gz	GDHOWHZXEUWDIZ-ZJUUUORDSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)[O-]	ZINC000823496252	587227149	/nfs/dbraw/zinc/22/71/49/587227149.db2.gz	GXFZSOKDNWAAIO-NXEZZACHSA-N	0	1	230.308	0.901	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)[O-])C[C@H]1C	ZINC000823496153	587227183	/nfs/dbraw/zinc/22/71/83/587227183.db2.gz	DRQWZIPEXNTHIV-MNOVXSKESA-N	0	1	242.319	0.998	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000823497062	587227721	/nfs/dbraw/zinc/22/77/21/587227721.db2.gz	VLMGCJMBVDWREU-ZJUUUORDSA-N	0	1	228.292	0.655	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)[C@@H]1CCCCN1C	ZINC000823541240	587230204	/nfs/dbraw/zinc/23/02/04/587230204.db2.gz	KHDGDQXFFDDKMP-RYUDHWBXSA-N	0	1	236.315	0.331	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1CNC(=O)CN1CCCC1	ZINC000823776142	587240352	/nfs/dbraw/zinc/24/03/52/587240352.db2.gz	KXBRUJKKKUMICY-RYUDHWBXSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=C[C@H](C)ONC(=O)CCCc1nn[nH]n1	ZINC000824232510	587261813	/nfs/dbraw/zinc/26/18/13/587261813.db2.gz	JQAPRWQCFNVYIZ-ZETCQYMHSA-N	0	1	225.252	0.145	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1	ZINC000824291633	587263032	/nfs/dbraw/zinc/26/30/32/587263032.db2.gz	ZXQWFYZPDMTNBI-GHMZBOCLSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CC[C@@H]1CCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000824870425	587291273	/nfs/dbraw/zinc/29/12/73/587291273.db2.gz	TUONCMUSSHEFJJ-SNVBAGLBSA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000824870424	587291371	/nfs/dbraw/zinc/29/13/71/587291371.db2.gz	TUONCMUSSHEFJJ-JTQLQIEISA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)CN1CCCC1	ZINC000825080978	587303272	/nfs/dbraw/zinc/30/32/72/587303272.db2.gz	YZQKGSFJEVODOX-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C=C1CN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1	ZINC000825129471	587305497	/nfs/dbraw/zinc/30/54/97/587305497.db2.gz	RMSUCGXNSPLVMO-UHFFFAOYSA-N	0	1	249.314	0.773	20	30		BCEDMN
C#CC(C)(C)NC(=O)Cc1n[nH]c(C)n1	ZINC000827634616	587393667	/nfs/dbraw/zinc/39/36/67/587393667.db2.gz	WIMZPCRSNNWYKJ-UHFFFAOYSA-N	0	1	206.249	0.184	20	30		BCEDMN
C#Cc1cnc(N2C[C@@H](C)N(C)C[C@H]2C)nc1	ZINC000827852098	587405597	/nfs/dbraw/zinc/40/55/97/587405597.db2.gz	JDLWEAZQCPGLBJ-GHMZBOCLSA-N	0	1	230.315	0.987	20	30		BCEDMN
C#Cc1cnc(N2C[C@@H](C)N(C)C[C@@H]2C)nc1	ZINC000827852099	587405816	/nfs/dbraw/zinc/40/58/16/587405816.db2.gz	JDLWEAZQCPGLBJ-MNOVXSKESA-N	0	1	230.315	0.987	20	30		BCEDMN
C#Cc1cnc(NCCN2CCCOCC2)nc1	ZINC000827990729	587415372	/nfs/dbraw/zinc/41/53/72/587415372.db2.gz	JMEKPUYBVIFFFR-UHFFFAOYSA-N	0	1	246.314	0.592	20	30		BCEDMN
C#Cc1cnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc1	ZINC000828259367	587428580	/nfs/dbraw/zinc/42/85/80/587428580.db2.gz	OTSNHFPRYXGPRR-PHIMTYICSA-N	0	1	230.315	0.987	20	30		BCEDMN
C#Cc1cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)nc1	ZINC000828259367	587428582	/nfs/dbraw/zinc/42/85/82/587428582.db2.gz	OTSNHFPRYXGPRR-PHIMTYICSA-N	0	1	230.315	0.987	20	30		BCEDMN
C#CCCN1CCN(Cc2cn(C)nc2C)CC1	ZINC000828519116	587446939	/nfs/dbraw/zinc/44/69/39/587446939.db2.gz	GEJTVWZGZTWUGD-UHFFFAOYSA-N	0	1	246.358	0.869	20	30		BCEDMN
CN1CC(C(=O)N[C@@H](C#N)C(C)(C)C)=NC1=O	ZINC000829736515	587512642	/nfs/dbraw/zinc/51/26/42/587512642.db2.gz	SAKMLIVAOUDRJN-QMMMGPOBSA-N	0	1	236.275	0.794	20	30		BCEDMN
C#CC1CCN(CC(=O)NC(C)C)CC1	ZINC000830301679	587545280	/nfs/dbraw/zinc/54/52/80/587545280.db2.gz	RMHKRQVTGYSXJU-UHFFFAOYSA-N	0	1	208.305	0.856	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[C@H](OC(=O)N(C)C)C1	ZINC000830509483	587554939	/nfs/dbraw/zinc/55/49/39/587554939.db2.gz	KCWWVOMACMZYES-WDEREUQCSA-N	0	1	242.319	0.696	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NCCN1CC=CCC1	ZINC000830972398	587578992	/nfs/dbraw/zinc/57/89/92/587578992.db2.gz	NHHSUSGYYGVNDX-LBPRGKRZSA-N	0	1	236.315	0.403	20	30		BCEDMN
Cc1nnc(C(=O)NC2=NO[C@@H](C)C2)s1	ZINC000831399562	587603676	/nfs/dbraw/zinc/60/36/76/587603676.db2.gz	OHUCMWGDJXRRQX-BYPYZUCNSA-N	0	1	226.261	0.699	20	30		BCEDMN
C#CCNC(=O)CN1CCN(CC)C[C@@H]1CC	ZINC000831965122	587640107	/nfs/dbraw/zinc/64/01/07/587640107.db2.gz	PVZRQFQPWHBUJZ-LBPRGKRZSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCOCCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000832102394	587645093	/nfs/dbraw/zinc/64/50/93/587645093.db2.gz	FSQHVDYDJDTBIY-SNVBAGLBSA-N	0	1	247.298	0.281	20	30		BCEDMN
C#CCOCCNC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000832102393	587645260	/nfs/dbraw/zinc/64/52/60/587645260.db2.gz	FSQHVDYDJDTBIY-JTQLQIEISA-N	0	1	247.298	0.281	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000832425712	587659299	/nfs/dbraw/zinc/65/92/99/587659299.db2.gz	QMEQBBNYJIMJMR-BDAKNGLRSA-N	0	1	217.272	0.653	20	30		BCEDMN
N#CCSCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833068287	587699257	/nfs/dbraw/zinc/69/92/57/587699257.db2.gz	USWPIDIJDJZVDK-BDAKNGLRSA-N	0	1	244.316	0.153	20	30		BCEDMN
C#CCCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833362241	587708553	/nfs/dbraw/zinc/70/85/53/587708553.db2.gz	HKHIDFNWUKTBGB-QWRGUYRKSA-N	0	1	225.288	0.964	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000833368230	587709158	/nfs/dbraw/zinc/70/91/58/587709158.db2.gz	DAMIQKYFTVLASH-VHSXEESVSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000833368230	587709160	/nfs/dbraw/zinc/70/91/60/587709160.db2.gz	DAMIQKYFTVLASH-VHSXEESVSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000833368229	587709306	/nfs/dbraw/zinc/70/93/06/587709306.db2.gz	DAMIQKYFTVLASH-UWVGGRQHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](CC(=O)[O-])C1	ZINC000833368229	587709307	/nfs/dbraw/zinc/70/93/07/587709307.db2.gz	DAMIQKYFTVLASH-UWVGGRQHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)C[N@H+](C)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833368991	587709421	/nfs/dbraw/zinc/70/94/21/587709421.db2.gz	ZQGMGMHWVUTJLY-SECBINFHSA-N	0	1	226.276	0.385	20	30		BCEDMN
C=C(C)C[N@@H+](C)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833368991	587709423	/nfs/dbraw/zinc/70/94/23/587709423.db2.gz	ZQGMGMHWVUTJLY-SECBINFHSA-N	0	1	226.276	0.385	20	30		BCEDMN
C=C(C)C[N@H+](C)[C@H](COCC)C(=O)[O-]	ZINC000833368720	587709506	/nfs/dbraw/zinc/70/95/06/587709506.db2.gz	REWRZBKJCGLGSY-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833369119	587709522	/nfs/dbraw/zinc/70/95/22/587709522.db2.gz	GIOSXBWRDZGNGG-ZJUUUORDSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=C(Cl)C[NH+]1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833371354	587710392	/nfs/dbraw/zinc/71/03/92/587710392.db2.gz	ZQGDVWNAPOLRAO-VIFPVBQESA-N	0	1	233.695	0.896	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833380512	587711393	/nfs/dbraw/zinc/71/13/93/587711393.db2.gz	IEDIBRGYCXHFKK-ZJUUUORDSA-N	0	1	211.261	0.574	20	30		BCEDMN
CC[N@H+](CCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000833858062	587736430	/nfs/dbraw/zinc/73/64/30/587736430.db2.gz	UXFATPBVBGXIQL-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000833858062	587736431	/nfs/dbraw/zinc/73/64/31/587736431.db2.gz	UXFATPBVBGXIQL-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
CC[C@H](C)OCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834480408	587755735	/nfs/dbraw/zinc/75/57/35/587755735.db2.gz	PPJXQOUVANBDNI-LPEHRKFASA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1cc(C)c(C(=O)N[C@H]2CNC[C@@H]2C#N)o1	ZINC000834479346	587756041	/nfs/dbraw/zinc/75/60/41/587756041.db2.gz	DCNDQGYHQRPNHJ-UWVGGRQHSA-N	0	1	233.271	0.738	20	30		BCEDMN
CCc1oc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1C	ZINC000834480026	587756095	/nfs/dbraw/zinc/75/60/95/587756095.db2.gz	KKSZFYUJUPSPPJ-NXEZZACHSA-N	0	1	247.298	0.992	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CC(F)(F)C1	ZINC000834479316	587756121	/nfs/dbraw/zinc/75/61/21/587756121.db2.gz	CHVFXZOUIISVCC-YUMQZZPRSA-N	0	1	229.230	0.259	20	30		BCEDMN
CCc1oc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1C	ZINC000834480029	587756145	/nfs/dbraw/zinc/75/61/45/587756145.db2.gz	KKSZFYUJUPSPPJ-VHSXEESVSA-N	0	1	247.298	0.992	20	30		BCEDMN
Cc1cc(C)c(C(=O)N[C@H]2CNC[C@H]2C#N)o1	ZINC000834479348	587756155	/nfs/dbraw/zinc/75/61/55/587756155.db2.gz	DCNDQGYHQRPNHJ-ZJUUUORDSA-N	0	1	233.271	0.738	20	30		BCEDMN
Cc1cc(F)ccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834480232	587756293	/nfs/dbraw/zinc/75/62/93/587756293.db2.gz	MYWCCALRECBZEY-SKDRFNHKSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC[C@@H]1CC[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)O1	ZINC000834480041	587756304	/nfs/dbraw/zinc/75/63/04/587756304.db2.gz	KMXKGHAGDCVRTO-CHWFTXMASA-N	0	1	237.303	0.172	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCOCC1CC1	ZINC000834480677	587756376	/nfs/dbraw/zinc/75/63/76/587756376.db2.gz	USFNJCDIYDAZRO-GHMZBOCLSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1F	ZINC000834480833	587756419	/nfs/dbraw/zinc/75/64/19/587756419.db2.gz	WWKAEYHCMDDBLG-ONGXEEELSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCC(F)(F)F	ZINC000834480774	587756478	/nfs/dbraw/zinc/75/64/78/587756478.db2.gz	VZGBZZFUJCIUHS-BQBZGAKWSA-N	0	1	235.209	0.557	20	30		BCEDMN
Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)ccc1N	ZINC000834485123	587756523	/nfs/dbraw/zinc/75/65/23/587756523.db2.gz	RYDCECDVEJYNNH-ZYHUDNBSSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(N)c1	ZINC000834485128	587756639	/nfs/dbraw/zinc/75/66/39/587756639.db2.gz	SAFXOJOHLFKRFV-GXSJLCMTSA-N	0	1	230.271	0.110	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccncc1F	ZINC000834488432	587756650	/nfs/dbraw/zinc/75/66/50/587756650.db2.gz	CJNAVNJKTKPRNU-GMSGAONNSA-N	0	1	234.234	0.062	20	30		BCEDMN
Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)ccc1F	ZINC000834485312	587756840	/nfs/dbraw/zinc/75/68/40/587756840.db2.gz	VEMMNDNXJLDFLT-JQWIXIFHSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)COC1CCCC1	ZINC000834490063	587756903	/nfs/dbraw/zinc/75/69/03/587756903.db2.gz	RDENMTONVBBKGC-ONGXEEELSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)COC1CCCC1	ZINC000834490060	587756942	/nfs/dbraw/zinc/75/69/42/587756942.db2.gz	RDENMTONVBBKGC-GXSJLCMTSA-N	0	1	237.303	0.173	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(C2CC2)no1	ZINC000834498650	587757329	/nfs/dbraw/zinc/75/73/29/587757329.db2.gz	BHRKIFAVQBGDIX-SCZZXKLOSA-N	0	1	246.270	0.393	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccccn1	ZINC000834494960	587757349	/nfs/dbraw/zinc/75/73/49/587757349.db2.gz	RKGIAHHRCGJVAM-JQWIXIFHSA-N	0	1	244.298	0.242	20	30		BCEDMN
CC[C@H](C)CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834499414	587757424	/nfs/dbraw/zinc/75/74/24/587757424.db2.gz	IEVOCAMXLRJKTP-LPEHRKFASA-N	0	1	209.293	0.650	20	30		BCEDMN
CC(C)CO[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834495725	587757480	/nfs/dbraw/zinc/75/74/80/587757480.db2.gz	YRUKDZVZMZZLDI-GMTAPVOTSA-N	0	1	239.319	0.275	20	30		BCEDMN
CC[C@H](C)CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834499412	587757531	/nfs/dbraw/zinc/75/75/31/587757531.db2.gz	IEVOCAMXLRJKTP-GUBZILKMSA-N	0	1	209.293	0.650	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1c[nH]nc1C1CC1	ZINC000834499139	587757533	/nfs/dbraw/zinc/75/75/33/587757533.db2.gz	FDGVKEBPXOQYQB-WCBMZHEXSA-N	0	1	245.286	0.128	20	30		BCEDMN
Cc1ncc(C(=O)N[C@@H]2CNC[C@@H]2C#N)s1	ZINC000834494686	587757578	/nfs/dbraw/zinc/75/75/78/587757578.db2.gz	OVFTVVGMACWJJF-JGVFFNPUSA-N	0	1	236.300	0.293	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1c[nH]nc1C1CC1	ZINC000834499134	587757618	/nfs/dbraw/zinc/75/76/18/587757618.db2.gz	FDGVKEBPXOQYQB-PSASIEDQSA-N	0	1	245.286	0.128	20	30		BCEDMN
CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834501138	587757676	/nfs/dbraw/zinc/75/76/76/587757676.db2.gz	ZMUSCMUNXOJWKX-XWLWVQCSSA-N	0	1	223.320	0.896	20	30		BCEDMN
Cc1noc(C)c1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834505099	587757687	/nfs/dbraw/zinc/75/76/87/587757687.db2.gz	HXQWZYRKDDVETL-BDAKNGLRSA-N	0	1	234.259	0.133	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(F)cn1	ZINC000834499830	587757691	/nfs/dbraw/zinc/75/76/91/587757691.db2.gz	NGXFOOLLHXKLNB-OIBJUYFYSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccc1	ZINC000834505451	587757719	/nfs/dbraw/zinc/75/77/19/587757719.db2.gz	LEAMDXGPBWSMHJ-CHWSQXEVSA-N	0	1	243.310	0.847	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)COc1ccccc1	ZINC000834505372	587757735	/nfs/dbraw/zinc/75/77/35/587757735.db2.gz	KDSXSAZJSSUTHB-JQWIXIFHSA-N	0	1	245.282	0.293	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1conc1C1CC1	ZINC000834500545	587757880	/nfs/dbraw/zinc/75/78/80/587757880.db2.gz	ULORCEHZBIUJCP-SCZZXKLOSA-N	0	1	246.270	0.393	20	30		BCEDMN
CCCn1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)cn1	ZINC000834500133	587758036	/nfs/dbraw/zinc/75/80/36/587758036.db2.gz	QLGMAIRDNADRPV-MWLCHTKSSA-N	0	1	247.302	0.134	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)n1C	ZINC000834511549	587758072	/nfs/dbraw/zinc/75/80/72/587758072.db2.gz	MFKZJDFDIHHQFD-VHSXEESVSA-N	0	1	232.287	0.175	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(F)c1	ZINC000834511204	587758172	/nfs/dbraw/zinc/75/81/72/587758172.db2.gz	JKDXTKZOPWCPLR-KOLCDFICSA-N	0	1	233.246	0.667	20	30		BCEDMN
Cc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834511307	587758200	/nfs/dbraw/zinc/75/82/00/587758200.db2.gz	KIRFBTAWDJBMDF-ZYHUDNBSSA-N	0	1	229.283	0.836	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccsc1	ZINC000834510839	587758259	/nfs/dbraw/zinc/75/82/59/587758259.db2.gz	FWAVOCARTSZNON-GHMZBOCLSA-N	0	1	249.339	0.908	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccccc1F	ZINC000834507245	587758368	/nfs/dbraw/zinc/75/83/68/587758368.db2.gz	ZAXSMUIMTHZQPC-GZMMTYOYSA-N	0	1	233.246	0.667	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1F	ZINC000834510825	587758370	/nfs/dbraw/zinc/75/83/70/587758370.db2.gz	FTCBTKMJLXZXBI-PWSUYJOCSA-N	0	1	247.273	0.976	20	30		BCEDMN
COCc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)o1	ZINC000834517581	587758485	/nfs/dbraw/zinc/75/84/85/587758485.db2.gz	XHHDKDREQOSLCO-PSASIEDQSA-N	0	1	249.270	0.267	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1O	ZINC000834512543	587758495	/nfs/dbraw/zinc/75/84/95/587758495.db2.gz	YMNLORPSNIHOQD-KOLCDFICSA-N	0	1	245.282	0.542	20	30		BCEDMN
Cc1noc(C)c1CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834512618	587758681	/nfs/dbraw/zinc/75/86/81/587758681.db2.gz	ZHCIPBXCEAULGO-ONGXEEELSA-N	0	1	248.286	0.062	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000834551909	587759221	/nfs/dbraw/zinc/75/92/21/587759221.db2.gz	CARQMOWDTJAYLE-SSDOTTSWSA-N	0	1	207.233	0.219	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1	ZINC000834552269	587759338	/nfs/dbraw/zinc/75/93/38/587759338.db2.gz	HKLWTOGRRLNFCG-ZJUUUORDSA-N	0	1	231.299	0.995	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000834552266	587759347	/nfs/dbraw/zinc/75/93/47/587759347.db2.gz	HKLWTOGRRLNFCG-NXEZZACHSA-N	0	1	231.299	0.995	20	30		BCEDMN
C[C@@H](O)CNN=C1CCCc2nc(N)ccc21	ZINC000834982592	587776048	/nfs/dbraw/zinc/77/60/48/587776048.db2.gz	GOUVAWLOAVDTIH-MRVPVSSYSA-N	0	1	234.303	0.675	20	30		BCEDMN
CN1CCC(=NNc2ncc(F)cc2F)C1=O	ZINC000835022513	587779174	/nfs/dbraw/zinc/77/91/74/587779174.db2.gz	MACXCZSMANYKQX-UHFFFAOYSA-N	0	1	240.213	0.990	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)OCCc1c[nH]nn1	ZINC000835181928	587787389	/nfs/dbraw/zinc/78/73/89/587787389.db2.gz	GWRCNMRCAXJWQJ-UHFFFAOYSA-N	0	1	245.242	0.712	20	30		BCEDMN
Cc1[nH]c(C#N)cc1C(=O)OCCc1cnn[nH]1	ZINC000835181928	587787390	/nfs/dbraw/zinc/78/73/90/587787390.db2.gz	GWRCNMRCAXJWQJ-UHFFFAOYSA-N	0	1	245.242	0.712	20	30		BCEDMN
CC[C@@H](C)N1CCN(C(=O)C=NOC)CC1	ZINC000837004265	587847303	/nfs/dbraw/zinc/84/73/03/587847303.db2.gz	GLWADMCSHUSURE-SNVBAGLBSA-N	0	1	227.308	0.561	20	30		BCEDMN
C=CCCC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840670918	587915871	/nfs/dbraw/zinc/91/58/71/587915871.db2.gz	YPUGDKJHPWIGDI-RKDXNWHRSA-N	0	1	227.216	0.730	20	30		BCEDMN
C#CCOCCN[C@H](C)c1ccn(C)n1	ZINC000840745770	587919651	/nfs/dbraw/zinc/91/96/51/587919651.db2.gz	OVVKPRKJRIDWBB-SNVBAGLBSA-N	0	1	207.277	0.721	20	30		BCEDMN
Cc1cc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)ccn1	ZINC000841166224	587948089	/nfs/dbraw/zinc/94/80/89/587948089.db2.gz	MBDYIGABUZQRNP-GXSJLCMTSA-N	0	1	245.286	0.045	20	30		BCEDMN
CNC(=S)N(C)N=C1CCN2CCC[C@H]12	ZINC000841645823	587965977	/nfs/dbraw/zinc/96/59/77/587965977.db2.gz	IEQCYUSFWHFVEE-SECBINFHSA-N	0	1	226.349	0.647	20	30		BCEDMN
CCc1ccc(C=NNC2=NCCN2)o1	ZINC000841660996	587969483	/nfs/dbraw/zinc/96/94/83/587969483.db2.gz	MIBFDNPFZHFGAG-UHFFFAOYSA-N	0	1	206.249	0.725	20	30		BCEDMN
C(=NNC1=NCCN1)c1cccc2c1OCO2	ZINC000841660543	587969783	/nfs/dbraw/zinc/96/97/83/587969783.db2.gz	ZMTACKXQGKBBMK-UHFFFAOYSA-N	0	1	232.243	0.298	20	30		BCEDMN
Cc1ccc(C=NNC2=NCCN2)cc1	ZINC000841661030	587970211	/nfs/dbraw/zinc/97/02/11/587970211.db2.gz	JIBHOYNSGVBQCM-UHFFFAOYSA-N	0	1	202.261	0.878	20	30		BCEDMN
Cc1ccc(O)c(C=NNC2=NCCN2)c1	ZINC000841662023	587970304	/nfs/dbraw/zinc/97/03/04/587970304.db2.gz	VKAJWJZHJUJPJI-UHFFFAOYSA-N	0	1	218.260	0.583	20	30		BCEDMN
C[C@@H]1CC(N=NC2=NCCN2)CN1C1CC1	ZINC000841661305	587970522	/nfs/dbraw/zinc/97/05/22/587970522.db2.gz	NYIFTOJQCMFHOK-MRVPVSSYSA-N	0	1	221.308	0.148	20	30		BCEDMN
c1ccc2c(c1)OCCC2=NNC1=NCCN1	ZINC000841662806	587970622	/nfs/dbraw/zinc/97/06/22/587970622.db2.gz	ROGHPRBWPREMFT-UHFFFAOYSA-N	0	1	230.271	0.722	20	30		BCEDMN
COc1ccc(C(C)=NNC2=NCCN2)c(O)c1	ZINC000841663262	587970728	/nfs/dbraw/zinc/97/07/28/587970728.db2.gz	WPXBGEUWIUTXKP-UHFFFAOYSA-N	0	1	248.286	0.674	20	30		BCEDMN
COc1cc(C=NNC2=NCCN2)cc(OC)c1	ZINC000841663287	587971008	/nfs/dbraw/zinc/97/10/08/587971008.db2.gz	XHQODRLMSMUSFI-UHFFFAOYSA-N	0	1	248.286	0.587	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CNc1ccccc1	ZINC000841849809	587978015	/nfs/dbraw/zinc/97/80/15/587978015.db2.gz	LPMADVFHERPEDP-PWSUYJOCSA-N	0	1	244.298	0.326	20	30		BCEDMN
C#CCOCCNC(=O)N1CCNC(C)(C)C1	ZINC000841874059	587979221	/nfs/dbraw/zinc/97/92/21/587979221.db2.gz	CVVANUAGRKMKMR-UHFFFAOYSA-N	0	1	239.319	0.030	20	30		BCEDMN
CCN(CCO)N=C1CCN2CCC[C@@H]12	ZINC000842536869	588036134	/nfs/dbraw/zinc/03/61/34/588036134.db2.gz	CNGYDCOFUFSLHE-NSHDSACASA-N	0	1	211.309	0.525	20	30		BCEDMN
C#CCSCCNCc1cncnc1OC	ZINC000842682766	588052315	/nfs/dbraw/zinc/05/23/15/588052315.db2.gz	LLFGHISORPMDLB-UHFFFAOYSA-N	0	1	237.328	0.941	20	30		BCEDMN
C#CC1CCN([C@@H]2CC(=O)N(C3CC3)C2=O)CC1	ZINC000843269717	588096501	/nfs/dbraw/zinc/09/65/01/588096501.db2.gz	QPCSOWLAVULLKM-GFCCVEGCSA-N	0	1	246.310	0.622	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccccc1N	ZINC000843459008	588111862	/nfs/dbraw/zinc/11/18/62/588111862.db2.gz	BGOZNTIJOGLEFG-KWQFWETISA-N	0	1	230.271	0.110	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/c1ccco1	ZINC000843461631	588112220	/nfs/dbraw/zinc/11/22/20/588112220.db2.gz	MNLTWOUBNXTEJM-IDFWJGBYSA-N	0	1	231.255	0.521	20	30		BCEDMN
COCC1(CC(=O)N[C@H]2CNC[C@H]2C#N)CC1	ZINC000843460311	588112479	/nfs/dbraw/zinc/11/24/79/588112479.db2.gz	NORIRDLEZBMREO-ZJUUUORDSA-N	0	1	237.303	0.031	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000843670909	588131232	/nfs/dbraw/zinc/13/12/32/588131232.db2.gz	TXHNMKQDSLGVLF-GMTAPVOTSA-N	0	1	236.271	0.914	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1CC=CC1	ZINC000844194995	588173453	/nfs/dbraw/zinc/17/34/53/588173453.db2.gz	OPWQUPBVFZTAMA-UWVGGRQHSA-N	0	1	205.261	0.180	20	30		BCEDMN
C#C[C@@H](C)N(C)C[C@H]1CN(C2CC2)C(=O)O1	ZINC000844323202	588185156	/nfs/dbraw/zinc/18/51/56/588185156.db2.gz	DWLQUZQOTXRHNE-KOLCDFICSA-N	0	1	222.288	0.923	20	30		BCEDMN
C#CCN(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000867426624	588268060	/nfs/dbraw/zinc/26/80/60/588268060.db2.gz	WYUGPRIKMPBWRP-JTQLQIEISA-N	0	1	219.244	0.067	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)Cc1cc(C)[nH]n1	ZINC000846546923	588274321	/nfs/dbraw/zinc/27/43/21/588274321.db2.gz	MFYFTAAFTRBYOA-MRVPVSSYSA-N	0	1	209.249	0.883	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H]1C(=O)OCC1(C)C	ZINC000846656987	588281289	/nfs/dbraw/zinc/28/12/89/588281289.db2.gz	RMPWDEHUMYVYAR-RNFRBKRXSA-N	0	1	210.233	0.214	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1O	ZINC000846678099	588282252	/nfs/dbraw/zinc/28/22/52/588282252.db2.gz	QWULOCGOSDKXEM-GHMZBOCLSA-N	0	1	245.282	0.542	20	30		BCEDMN
C#C[C@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1	ZINC000847019369	588301758	/nfs/dbraw/zinc/30/17/58/588301758.db2.gz	PJXUZLPURAHROS-NWDGAFQWSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1	ZINC000847021484	588302704	/nfs/dbraw/zinc/30/27/04/588302704.db2.gz	MMAJESGOGOTJBQ-LLVKDONJSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000847021077	588302877	/nfs/dbraw/zinc/30/28/77/588302877.db2.gz	IQTZLSGJJRVCGO-QMMMGPOBSA-N	0	1	206.249	0.356	20	30		BCEDMN
C#C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000847021077	588302878	/nfs/dbraw/zinc/30/28/78/588302878.db2.gz	IQTZLSGJJRVCGO-QMMMGPOBSA-N	0	1	206.249	0.356	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N(C)CC)C1	ZINC000847023064	588303109	/nfs/dbraw/zinc/30/31/09/588303109.db2.gz	KTQSQCJPAOZWSH-NSHDSACASA-N	0	1	208.305	0.810	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000847025151	588303542	/nfs/dbraw/zinc/30/35/42/588303542.db2.gz	BRLGNPHHKBXHGP-LBPRGKRZSA-N	0	1	236.315	0.190	20	30		BCEDMN
C#C[C@H]1CCCN(CC(=O)NCCCOC)C1	ZINC000847028717	588304175	/nfs/dbraw/zinc/30/41/75/588304175.db2.gz	KHUQSOBRXUQESH-LBPRGKRZSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CCCNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000847496280	588314895	/nfs/dbraw/zinc/31/48/95/588314895.db2.gz	LUOLGFWEUDWCHV-VIFPVBQESA-N	0	1	205.261	0.728	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC000848035067	588349109	/nfs/dbraw/zinc/34/91/09/588349109.db2.gz	KORKOZQGGFLTTF-NWDGAFQWSA-N	0	1	238.331	0.219	20	30		BCEDMN
CN1CCN(N=Cc2cccc(F)c2N)CC1	ZINC000848399984	588377487	/nfs/dbraw/zinc/37/74/87/588377487.db2.gz	YDGINBVSSVSDQL-UHFFFAOYSA-N	0	1	236.294	0.989	20	30		BCEDMN
C/C(=C\c1ccco1)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000848419638	588382810	/nfs/dbraw/zinc/38/28/10/588382810.db2.gz	ZSNJKFHYFYQMAH-PUDJUEJWSA-N	0	1	245.282	0.911	20	30		BCEDMN
C/C(=C/c1ccco1)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000848419639	588383017	/nfs/dbraw/zinc/38/30/17/588383017.db2.gz	ZSNJKFHYFYQMAH-XIBBCFBLSA-N	0	1	245.282	0.911	20	30		BCEDMN
C#C[C@H]1CCCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000848748710	588410886	/nfs/dbraw/zinc/41/08/86/588410886.db2.gz	AMAAYGFLPQUBCV-QMMMGPOBSA-N	0	1	243.270	0.908	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000850763604	588565547	/nfs/dbraw/zinc/56/55/47/588565547.db2.gz	HFVPREPCNSWBHS-DOLQZWNJSA-N	0	1	220.272	0.877	20	30		BCEDMN
C=CCNC(=O)c1nnc2ccccc2c1O	ZINC000109931999	588602508	/nfs/dbraw/zinc/60/25/08/588602508.db2.gz	OUELHUWBAHLGOC-UHFFFAOYSA-N	0	1	229.239	0.839	20	30		BCEDMN
C#CCOCCN1CCCC[C@H]1C1OCCO1	ZINC000851749352	588622583	/nfs/dbraw/zinc/62/25/83/588622583.db2.gz	DRGICBYDVVGNHI-LBPRGKRZSA-N	0	1	239.315	0.864	20	30		BCEDMN
C#CCN(CC)C[C@](O)(C(N)=O)c1ccccc1	ZINC000851799345	588630355	/nfs/dbraw/zinc/63/03/55/588630355.db2.gz	OHFNBUXFQMDXNZ-CQSZACIVSA-N	0	1	246.310	0.315	20	30		BCEDMN
C[C@@H](C(N)=O)N(C)CCc1ccc(C#N)cc1	ZINC000851891273	588641155	/nfs/dbraw/zinc/64/11/55/588641155.db2.gz	NXMFZOGPUBSGIS-JTQLQIEISA-N	0	1	231.299	0.906	20	30		BCEDMN
C#CCCS(=O)(=O)N1CCN[C@@H](C(C)C)C1	ZINC000851895192	588641805	/nfs/dbraw/zinc/64/18/05/588641805.db2.gz	CAMPWMCCGICGEG-LLVKDONJSA-N	0	1	244.360	0.269	20	30		BCEDMN
C#CCOCC[N@H+]1CCOCC2(CC2)C1	ZINC000851919504	588643642	/nfs/dbraw/zinc/64/36/42/588643642.db2.gz	KACXZBZPYVCFMU-UHFFFAOYSA-N	0	1	209.289	0.749	20	30		BCEDMN
C#CCOCCN(C)[C@@H](C)C[S@](C)=O	ZINC000851922246	588643880	/nfs/dbraw/zinc/64/38/80/588643880.db2.gz	FMHUBDZEHKJCFL-HZMBPMFUSA-N	0	1	217.334	0.335	20	30		BCEDMN
C#CCOCCN[C@H](CCO)c1ccco1	ZINC000851941933	588646152	/nfs/dbraw/zinc/64/61/52/588646152.db2.gz	FTIMSEYFDOLGNZ-LLVKDONJSA-N	0	1	223.272	0.943	20	30		BCEDMN
C#CCN(C)Cc1n[nH]c(C)c1C(=O)OCC	ZINC000851978564	588651060	/nfs/dbraw/zinc/65/10/60/588651060.db2.gz	OSBYKYIICNDZTP-UHFFFAOYSA-N	0	1	235.287	0.960	20	30		BCEDMN
C#CCOCCN1C[C@H](C)O[C@@]2(CCOC2)C1	ZINC000852001041	588654004	/nfs/dbraw/zinc/65/40/04/588654004.db2.gz	DBBACWVWWVEBBX-STQMWFEESA-N	0	1	239.315	0.516	20	30		BCEDMN
C#CCOCCN(CCCO)Cc1ccccn1	ZINC000852002340	588654484	/nfs/dbraw/zinc/65/44/84/588654484.db2.gz	AWKSLQARVFHXEF-UHFFFAOYSA-N	0	1	248.326	0.916	20	30		BCEDMN
C#CCOCCN1CC[C@H](OC(F)F)C1	ZINC000852017893	588655667	/nfs/dbraw/zinc/65/56/67/588655667.db2.gz	GLJYYCNXQDNKKO-VIFPVBQESA-N	0	1	219.231	0.950	20	30		BCEDMN
C#CCOCCN1CCO[C@@]2(CCCOC2)C1	ZINC000852038239	588656871	/nfs/dbraw/zinc/65/68/71/588656871.db2.gz	LJXFPXICLHLEKR-ZDUSSCGKSA-N	0	1	239.315	0.518	20	30		BCEDMN
C#CCOCCN1CCC(F)(F)[C@H](CO)C1	ZINC000852072015	588659447	/nfs/dbraw/zinc/65/94/47/588659447.db2.gz	XDNBHYQKMCEKPK-JTQLQIEISA-N	0	1	233.258	0.586	20	30		BCEDMN
C#CCOCCN1CC[C@H](OC(=O)N(C)C)C1	ZINC000852113340	588664756	/nfs/dbraw/zinc/66/47/56/588664756.db2.gz	ZNLFLSRBFNRPDI-NSHDSACASA-N	0	1	240.303	0.409	20	30		BCEDMN
C#CCC[N@@H+]1CCC2=C(CCC(=O)N2)C1	ZINC000852296531	588677342	/nfs/dbraw/zinc/67/73/42/588677342.db2.gz	WHRHPFKULFDPCI-UHFFFAOYSA-N	0	1	204.273	0.880	20	30		BCEDMN
C#C[C@@H](NC(=O)N(C)CC1CN(C)C1)C(C)C	ZINC000852304536	588677569	/nfs/dbraw/zinc/67/75/69/588677569.db2.gz	LLLMXVGXCANAAG-GFCCVEGCSA-N	0	1	237.347	0.847	20	30		BCEDMN
N#CC[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1	ZINC000852319468	588678165	/nfs/dbraw/zinc/67/81/65/588678165.db2.gz	NJJUQRDUGYQIBV-UWVGGRQHSA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CC[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)C1	ZINC000852319468	588678166	/nfs/dbraw/zinc/67/81/66/588678166.db2.gz	NJJUQRDUGYQIBV-UWVGGRQHSA-N	0	1	235.287	0.417	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)Nc1ccc(O)cc1	ZINC000852714662	588697537	/nfs/dbraw/zinc/69/75/37/588697537.db2.gz	XOGDCOKQYNDZMU-SECBINFHSA-N	0	1	236.271	0.467	20	30		BCEDMN
COCC#CCN1CCC(NC(=O)OC)CC1	ZINC000852767130	588700885	/nfs/dbraw/zinc/70/08/85/588700885.db2.gz	OCEVDMDQGXPOBD-UHFFFAOYSA-N	0	1	240.303	0.457	20	30		BCEDMN
CC12CC(C1)CN2CC(=O)NCCC#N	ZINC000852785946	588702343	/nfs/dbraw/zinc/70/23/43/588702343.db2.gz	RZOHJDKLEATSEM-UHFFFAOYSA-N	0	1	207.277	0.501	20	30		BCEDMN
CO[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C1CCC1	ZINC000852827097	588706142	/nfs/dbraw/zinc/70/61/42/588706142.db2.gz	BINACFSNFLRUOL-VWYCJHECSA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(CF)cc1	ZINC000852827264	588706279	/nfs/dbraw/zinc/70/62/79/588706279.db2.gz	FIGNVXDZMJLCOR-NWDGAFQWSA-N	0	1	247.273	0.997	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CC2(CC2)C1	ZINC000852827343	588706325	/nfs/dbraw/zinc/70/63/25/588706325.db2.gz	GZLATTKJEJRBRK-NXEZZACHSA-N	0	1	219.288	0.404	20	30		BCEDMN
CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852875792	588710014	/nfs/dbraw/zinc/71/00/14/588710014.db2.gz	PQYUUOLEVUNJQQ-XHSYRHOGSA-N	0	1	249.314	0.029	20	30		BCEDMN
C#CC[C@H](COC)NCc1cn2cccnc2n1	ZINC000862550157	589220797	/nfs/dbraw/zinc/22/07/97/589220797.db2.gz	JCCWEUPFEZYYEA-LLVKDONJSA-N	0	1	244.298	0.857	20	30		BCEDMN
COc1ccnc(C(C)=NNC2=NC[C@@H](C)N2)c1	ZINC000863104839	589256399	/nfs/dbraw/zinc/25/63/99/589256399.db2.gz	FVAWHDNKJFUVKA-MRVPVSSYSA-N	0	1	247.302	0.752	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc(C3CC3)o2)N1	ZINC000863105723	589256732	/nfs/dbraw/zinc/25/67/32/589256732.db2.gz	YRGNENHITBEKKJ-ZETCQYMHSA-N	0	1	233.275	0.823	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccnc(F)c2)N1	ZINC000863105570	589256745	/nfs/dbraw/zinc/25/67/45/589256745.db2.gz	UWRMGIPAXGPERE-ZETCQYMHSA-N	0	1	221.239	0.492	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1ccns1	ZINC000863105654	589256868	/nfs/dbraw/zinc/25/68/68/589256868.db2.gz	WYMWZPZPGRSNMT-ZCFIWIBFSA-N	0	1	223.305	0.804	20	30		BCEDMN
CC(C)(O)CNN=C1CCN2CCC[C@H]12	ZINC000863138762	589262474	/nfs/dbraw/zinc/26/24/74/589262474.db2.gz	SXDUTIJKNPUNMW-SNVBAGLBSA-N	0	1	211.309	0.571	20	30		BCEDMN
CC(CS(C)(=O)=O)=Nn1cccn1	ZINC000863166144	589267066	/nfs/dbraw/zinc/26/70/66/589267066.db2.gz	UXDUDQYUWVSUIW-UHFFFAOYSA-N	0	1	201.251	0.152	20	30		BCEDMN
C[C@@H]1CC(NC(=O)C[N@@H+](C)C2CCC2)=NO1	ZINC000863901938	589324547	/nfs/dbraw/zinc/32/45/47/589324547.db2.gz	IJHVQIMEVBNIKB-MRVPVSSYSA-N	0	1	225.292	0.709	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CN(C)C1CCC1	ZINC000863944655	589328487	/nfs/dbraw/zinc/32/84/87/589328487.db2.gz	PAKHOOANFMDZBA-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
N#CCC1CN(C(=O)C2CN([C@@H]3CCOC3)C2)C1	ZINC000864068696	589338529	/nfs/dbraw/zinc/33/85/29/589338529.db2.gz	VDRQKBVKCMGTKR-GFCCVEGCSA-N	0	1	249.314	0.079	20	30		BCEDMN
C#CC1CCN(C(=O)NCc2n[nH]c(C)n2)CC1	ZINC000864266326	589352749	/nfs/dbraw/zinc/35/27/49/589352749.db2.gz	IXUNCZQQYRFAOQ-UHFFFAOYSA-N	0	1	247.302	0.668	20	30		BCEDMN
N#CCCN(CC1CC1)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000865164639	589412372	/nfs/dbraw/zinc/41/23/72/589412372.db2.gz	LDAPCSNMDNLCCB-NSHDSACASA-N	0	1	248.286	0.595	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2coc(C#N)c2)C1	ZINC000865183194	589413271	/nfs/dbraw/zinc/41/32/71/589413271.db2.gz	AXUJTDGBQHHCPB-JTQLQIEISA-N	0	1	233.271	0.975	20	30		BCEDMN
CC1(C)CN(C(=O)c2coc(C#N)c2)CCN1	ZINC000866325339	589486571	/nfs/dbraw/zinc/48/65/71/589486571.db2.gz	BEXBVRABLOIVRI-UHFFFAOYSA-N	0	1	233.271	0.975	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CCc1c[nH]nn1	ZINC000867771675	589533689	/nfs/dbraw/zinc/53/36/89/589533689.db2.gz	CMWBOMRIQLCXQW-MRVPVSSYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@H](CC)NC(=O)CCc1cnn[nH]1	ZINC000867771675	589533690	/nfs/dbraw/zinc/53/36/90/589533690.db2.gz	CMWBOMRIQLCXQW-MRVPVSSYSA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CCc1c[nH]nn1	ZINC000867840006	589536679	/nfs/dbraw/zinc/53/66/79/589536679.db2.gz	LCCBKKSUELPMRH-QMMMGPOBSA-N	0	1	206.249	0.217	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CCc1cnn[nH]1	ZINC000867840006	589536680	/nfs/dbraw/zinc/53/66/80/589536680.db2.gz	LCCBKKSUELPMRH-QMMMGPOBSA-N	0	1	206.249	0.217	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1nnc[nH]1)C(C)C	ZINC000868021490	589544780	/nfs/dbraw/zinc/54/47/80/589544780.db2.gz	AYIFDSCTDACZLJ-MRVPVSSYSA-N	0	1	206.249	0.121	20	30		BCEDMN
C=C1CC(C)(C(=O)[N-]OCC[NH+](C)C)C1	ZINC000868630561	589569406	/nfs/dbraw/zinc/56/94/06/589569406.db2.gz	ZXRPELKDEZYMRH-UHFFFAOYSA-N	0	1	212.293	0.952	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869074064	589585630	/nfs/dbraw/zinc/58/56/30/589585630.db2.gz	QPUQQFROKZYDDJ-LLVKDONJSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869074064	589585631	/nfs/dbraw/zinc/58/56/31/589585631.db2.gz	QPUQQFROKZYDDJ-LLVKDONJSA-N	0	1	246.314	0.999	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000869074719	589585646	/nfs/dbraw/zinc/58/56/46/589585646.db2.gz	ZAVKMYKVZBIUEE-JTQLQIEISA-N	0	1	247.302	0.394	20	30		BCEDMN
C#CC1CCN(C(=O)Cc2ncn[nH]2)CC1	ZINC000869084126	589586176	/nfs/dbraw/zinc/58/61/76/589586176.db2.gz	XDTLNHXEYXNBSH-UHFFFAOYSA-N	0	1	218.260	0.219	20	30		BCEDMN
C#CC1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1	ZINC000869084116	589586229	/nfs/dbraw/zinc/58/62/29/589586229.db2.gz	XBAVXGDAAQPQOO-NSHDSACASA-N	0	1	233.271	0.315	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@H](O)c1c[nH]cn1)C1CC1	ZINC000869254757	589594778	/nfs/dbraw/zinc/59/47/78/589594778.db2.gz	VUSFEKKYRGQULE-OIBJUYFYSA-N	0	1	234.259	0.346	20	30		BCEDMN
CCN(C(=O)[C@@H](O)c1c[nH]cn1)[C@@H](C)C#N	ZINC000869285579	589596152	/nfs/dbraw/zinc/59/61/52/589596152.db2.gz	QWVXMKDWDKTXFH-CBAPKCEASA-N	0	1	222.248	0.204	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869393399	589603093	/nfs/dbraw/zinc/60/30/93/589603093.db2.gz	MKUFJSAEVIGCCP-VIFPVBQESA-N	0	1	218.260	0.219	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000870672088	589682535	/nfs/dbraw/zinc/68/25/35/589682535.db2.gz	VEPWBJSCASSJDJ-RKDXNWHRSA-N	0	1	233.275	0.877	20	30		BCEDMN
N#Cc1cc(C(=O)N2CCNCC2)co1	ZINC000870852529	589691624	/nfs/dbraw/zinc/69/16/24/589691624.db2.gz	IQGNVQSACMPUGA-UHFFFAOYSA-N	0	1	205.217	0.197	20	30		BCEDMN
C=CCN1CC[C@H](N[C@@H](C)c2ccnn2C)C1=O	ZINC000871925499	589833022	/nfs/dbraw/zinc/83/30/22/589833022.db2.gz	CDAITTANKLRCPY-QWRGUYRKSA-N	0	1	248.330	0.858	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccnn1C	ZINC000871926812	589833341	/nfs/dbraw/zinc/83/33/41/589833341.db2.gz	KZXDZQOQUZOLKQ-NXEZZACHSA-N	0	1	236.319	0.761	20	30		BCEDMN
C#CCn1[nH]c(C[C@H]2CCCO2)cc1=O	ZINC000871961794	589846076	/nfs/dbraw/zinc/84/60/76/589846076.db2.gz	PSWNADLMHJHXGT-SNVBAGLBSA-N	0	1	206.245	0.777	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@H]1CCO[C@@H]1C	ZINC000872160057	589886504	/nfs/dbraw/zinc/88/65/04/589886504.db2.gz	YHMXPSKBAULELN-NXEZZACHSA-N	0	1	213.277	0.984	20	30		BCEDMN
Cc1ccc(C=NNC2=NC[C@H](C)N2)c(O)c1	ZINC000872363319	589919769	/nfs/dbraw/zinc/91/97/69/589919769.db2.gz	BYLWTJRXRDMYML-VIFPVBQESA-N	0	1	232.287	0.972	20	30		BCEDMN
Cc1nnc(N=NC2CCN(C)[C@@H]2C)n1C	ZINC000872390688	589931295	/nfs/dbraw/zinc/93/12/95/589931295.db2.gz	RCZSUJIYBSAMPJ-SSDOTTSWSA-N	0	1	222.296	0.615	20	30		BCEDMN
C[C@H]1CN(C(=O)C#CC2CC2)C[C@H](C)N1	ZINC000876530066	590209808	/nfs/dbraw/zinc/20/98/08/590209808.db2.gz	JVLHSCCXFKIPSQ-UWVGGRQHSA-N	0	1	206.289	0.609	20	30		BCEDMN
C#CCN(CC#C)CC(C)(C)N1CCOCC1	ZINC000876745605	590235703	/nfs/dbraw/zinc/23/57/03/590235703.db2.gz	ODQDOPRWMIVACG-UHFFFAOYSA-N	0	1	234.343	0.666	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CCCC12CC2	ZINC000876801324	590243021	/nfs/dbraw/zinc/24/30/21/590243021.db2.gz	BBCMHTZPNFDPJF-GMTAPVOTSA-N	0	1	233.315	0.794	20	30		BCEDMN
CCn1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)n1	ZINC000876802296	590243378	/nfs/dbraw/zinc/24/33/78/590243378.db2.gz	NTCZJPFNRBVSQC-GXSJLCMTSA-N	0	1	247.302	0.053	20	30		BCEDMN
Cc1cocc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876801263	590243395	/nfs/dbraw/zinc/24/33/95/590243395.db2.gz	AELPVKAKRINYJP-WCBMZHEXSA-N	0	1	219.244	0.429	20	30		BCEDMN
CC(C)n1cnc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000876803934	590244004	/nfs/dbraw/zinc/24/40/04/590244004.db2.gz	ZSBBGFXGPKSKSW-UWVGGRQHSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000876803943	590244397	/nfs/dbraw/zinc/24/43/97/590244397.db2.gz	ZTQLDBSSPFXJAC-VHSXEESVSA-N	0	1	244.298	0.298	20	30		BCEDMN
C#Cc1ccc(CN2CCN(C)C[C@@H]2CO)cc1	ZINC000877643747	590382588	/nfs/dbraw/zinc/38/25/88/590382588.db2.gz	IAWBSHDTZCBDRN-OAHLLOKOSA-N	0	1	244.338	0.776	20	30		BCEDMN
C=CCN(CC=C)CCc1nnnn1C	ZINC000877959470	590458424	/nfs/dbraw/zinc/45/84/24/590458424.db2.gz	XKBVGMFWBZLNDB-UHFFFAOYSA-N	0	1	207.281	0.427	20	30		BCEDMN
C=CC[C@H](C)N1CCN(C(=O)COC)CC1	ZINC000877967197	590461144	/nfs/dbraw/zinc/46/11/44/590461144.db2.gz	IORNSKSBPTZZSK-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CC[C@@H](C)N1CCO[C@H](CNC(C)=O)C1	ZINC000878112795	590497209	/nfs/dbraw/zinc/49/72/09/590497209.db2.gz	OKYGKZPUEAAWHP-ZYHUDNBSSA-N	0	1	226.320	0.788	20	30		BCEDMN
C#CCN(CC#C)C[C@H](O)CC1(CO)CCCC1	ZINC000878153920	590507587	/nfs/dbraw/zinc/50/75/87/590507587.db2.gz	YXFKCBQBYYLLIO-CQSZACIVSA-N	0	1	249.354	0.859	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CC[C@](C)(O)C1	ZINC000878165726	590512223	/nfs/dbraw/zinc/51/22/23/590512223.db2.gz	CVFDVQULDZCARV-ONGXEEELSA-N	0	1	213.277	0.561	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](O)[C@@H](C)C1	ZINC000878335341	590549149	/nfs/dbraw/zinc/54/91/49/590549149.db2.gz	LIODUKGYKMXAMC-AEJSXWLSSA-N	0	1	213.277	0.417	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H]([C@@H](C)O)C1	ZINC000878391001	590559030	/nfs/dbraw/zinc/55/90/30/590559030.db2.gz	GLZXRRHVSKAKMA-GMTAPVOTSA-N	0	1	227.304	0.807	20	30		BCEDMN
C#C[C@@H](NCCN(C#N)CC)[C@@H]1CCCO1	ZINC000878454183	590570326	/nfs/dbraw/zinc/57/03/26/590570326.db2.gz	VBVPNBSQMRJKKZ-NEPJUHHUSA-N	0	1	221.304	0.560	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@](O)(CC)C1	ZINC000878465970	590572801	/nfs/dbraw/zinc/57/28/01/590572801.db2.gz	IZAPJNVYVILVJW-PWSUYJOCSA-N	0	1	227.304	0.951	20	30		BCEDMN
C#C[C@@H](C)[N@@H+](C)C[C@@H](O)CC1(O)CCCC1	ZINC000878517745	590585735	/nfs/dbraw/zinc/58/57/35/590585735.db2.gz	WJMGXKXCJNGDDM-NEPJUHHUSA-N	0	1	225.332	0.996	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@@H](CC(N)=O)C1	ZINC000878622050	590597292	/nfs/dbraw/zinc/59/72/92/590597292.db2.gz	RGNYWHDEEMJKAK-VHSXEESVSA-N	0	1	240.303	0.301	20	30		BCEDMN
N#CCC1(CN2CCCN(C=O)CC2)CC1	ZINC000878638777	590598637	/nfs/dbraw/zinc/59/86/37/590598637.db2.gz	WGQYBTDLMBODHZ-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
C#CCCN1CCN([C@H](C)C(=O)OCC)CC1	ZINC000127257866	590602265	/nfs/dbraw/zinc/60/22/65/590602265.db2.gz	HNMHKWJQQXKVCS-GFCCVEGCSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#CCCN1CCN([C@@H](C)C(=O)OCC)CC1	ZINC000127258091	590602528	/nfs/dbraw/zinc/60/25/28/590602528.db2.gz	HNMHKWJQQXKVCS-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C=CC[N@H+](CCn1cnnn1)[C@@H](C)COC	ZINC000878890288	590641712	/nfs/dbraw/zinc/64/17/12/590641712.db2.gz	ZNDHYBLWPVXXIQ-JTQLQIEISA-N	0	1	225.296	0.196	20	30		BCEDMN
C#CCN(CCC1OCCO1)C1CSC1	ZINC000878909661	590645466	/nfs/dbraw/zinc/64/54/66/590645466.db2.gz	HNTJYDMZFCGIEU-UHFFFAOYSA-N	0	1	227.329	0.800	20	30		BCEDMN
C#CCN(CC[C@H]1CCOC1=O)C1CSC1	ZINC000878912984	590649127	/nfs/dbraw/zinc/64/91/27/590649127.db2.gz	XCHLPLIOYLKDIY-JTQLQIEISA-N	0	1	239.340	0.990	20	30		BCEDMN
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C#CCOCCN1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000879601384	590826845	/nfs/dbraw/zinc/82/68/45/590826845.db2.gz	OCQIGTZJKXZVFQ-CYBMUJFWSA-N	0	1	224.348	0.908	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1C[C@H](O)CC(C)(C)C1	ZINC000879616702	590832144	/nfs/dbraw/zinc/83/21/44/590832144.db2.gz	ISWOAMHIDZEAHE-WDEREUQCSA-N	0	1	238.331	0.217	20	30		BCEDMN
COCC#CCN1C[C@@H](O)CC(C)(C)C1	ZINC000879622160	590835992	/nfs/dbraw/zinc/83/59/92/590835992.db2.gz	IDHVFCNTPNJTTD-NSHDSACASA-N	0	1	211.305	0.729	20	30		BCEDMN
C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#CCO	ZINC000879880673	590886646	/nfs/dbraw/zinc/88/66/46/590886646.db2.gz	PSOUCNWWJFQUDM-CABZTGNLSA-N	0	1	247.298	0.188	20	30		BCEDMN
C#CCNC(=O)COc1cc(C)nc(C)c1	ZINC000128215910	590932470	/nfs/dbraw/zinc/93/24/70/590932470.db2.gz	SJJUIMDOUPDFSJ-UHFFFAOYSA-N	0	1	218.256	0.827	20	30		BCEDMN
N#CC1(NC(=O)CN2CC[C@@H](CF)C2)CCC1	ZINC000880299636	590995364	/nfs/dbraw/zinc/99/53/64/590995364.db2.gz	VXJDBUOCMIQMLL-JTQLQIEISA-N	0	1	239.294	0.840	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CCOC[C@H]1OC	ZINC000880424222	591030307	/nfs/dbraw/zinc/03/03/07/591030307.db2.gz	GNCNFJFJPZRMQC-GHMZBOCLSA-N	0	1	242.319	0.024	20	30		BCEDMN
C=CCN1CC[C@H](N2CC=C[C@H]2CO)C1=O	ZINC000880491135	591066665	/nfs/dbraw/zinc/06/66/65/591066665.db2.gz	GYZCNZZXWCDVSZ-QWRGUYRKSA-N	0	1	222.288	0.006	20	30		BCEDMN
N#CC(C(=O)C[C@H]1CCCO1)C(=O)NC1CC1	ZINC000129553914	591322471	/nfs/dbraw/zinc/32/24/71/591322471.db2.gz	UZACBUOQCJXKEC-ZJUUUORDSA-N	0	1	236.271	0.543	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1CC	ZINC000882492784	591373443	/nfs/dbraw/zinc/37/34/43/591373443.db2.gz	WHRZIPNNLAEEJC-JQWIXIFHSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NC[C@H]1CCN1CC	ZINC000882492547	591373558	/nfs/dbraw/zinc/37/35/58/591373558.db2.gz	AIEZMOAGGKFLLN-KOLCDFICSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1CC	ZINC000882494346	591376357	/nfs/dbraw/zinc/37/63/57/591376357.db2.gz	PSBJUEOOMPMPMR-UTUOFQBUSA-N	0	1	238.331	0.788	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1coc(C#N)c1	ZINC000882497898	591377290	/nfs/dbraw/zinc/37/72/90/591377290.db2.gz	NLSKMDYVSSKTTH-SNVBAGLBSA-N	0	1	233.271	0.975	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)Cc1cc(C)n[nH]1	ZINC000882896581	591468818	/nfs/dbraw/zinc/46/88/18/591468818.db2.gz	LKTIJEQMJBOLRA-LLVKDONJSA-N	0	1	237.303	0.704	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1ccnc(OC)n1	ZINC000883400040	591646156	/nfs/dbraw/zinc/64/61/56/591646156.db2.gz	BYRFIADOGGUSHQ-NSHDSACASA-N	0	1	237.303	0.902	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NC[C@@H]1CCN1CC	ZINC000883602052	591699278	/nfs/dbraw/zinc/69/92/78/591699278.db2.gz	MDNYILCZTVMCSF-QWRGUYRKSA-N	0	1	223.320	0.792	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1	ZINC000884250275	591884241	/nfs/dbraw/zinc/88/42/41/591884241.db2.gz	ATRCBUFGEDUDLH-USZNOCQGSA-N	0	1	233.315	0.650	20	30		BCEDMN
C=C(CN(C)C)C(=O)N1CCCC(=O)[C@@H]1C	ZINC000885052700	592040563	/nfs/dbraw/zinc/04/05/63/592040563.db2.gz	YXISBFPNILEPMF-JTQLQIEISA-N	0	1	224.304	0.684	20	30		BCEDMN
CNC(=O)CN(C)C[C@@H](O)CC1(C#N)CCC1	ZINC000885952048	592114155	/nfs/dbraw/zinc/11/41/55/592114155.db2.gz	VEHFCZXOFNDPSG-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CC1(C[C@H](O)C[N@H+]2CC[C@H](O)C2)CCC1	ZINC000885988621	592122798	/nfs/dbraw/zinc/12/27/98/592122798.db2.gz	KNVQNXCHSUSWIC-QWRGUYRKSA-N	0	1	224.304	0.498	20	30		BCEDMN
C#C[C@H](NC[C@](C)(O)C(F)F)[C@H]1CCCO1	ZINC000886143270	592162459	/nfs/dbraw/zinc/16/24/59/592162459.db2.gz	YDHACPPNWIAIFM-NGZCFLSTSA-N	0	1	233.258	0.773	20	30		BCEDMN
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CCN(CC)CC(=O)Nc1cnn(CC#N)c1	ZINC000139268178	592390577	/nfs/dbraw/zinc/39/05/77/592390577.db2.gz	YMGPATVNRFLPBP-UHFFFAOYSA-N	0	1	235.291	0.687	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CC[C@H](CF)C2)C1=O	ZINC000887302848	592478935	/nfs/dbraw/zinc/47/89/35/592478935.db2.gz	DISZABARFMDRLO-ZJUUUORDSA-N	0	1	238.262	0.039	20	30		BCEDMN
C#CCNC(=O)CN(C)CCCSC	ZINC000301034401	592527366	/nfs/dbraw/zinc/52/73/66/592527366.db2.gz	WIRPFFFSGOJXIJ-UHFFFAOYSA-N	0	1	214.334	0.421	20	30		BCEDMN
CCc1cc(C(=O)N2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000887670912	592539159	/nfs/dbraw/zinc/53/91/59/592539159.db2.gz	JLUMDVCXDGXQCV-LBPRGKRZSA-N	0	1	248.286	0.727	20	30		BCEDMN
CC(C#N)C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887676832	592540533	/nfs/dbraw/zinc/54/05/33/592540533.db2.gz	LEGYEAXTKDVTMA-WPRPVWTQSA-N	0	1	207.233	0.287	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CCO[C@@](C)(C#N)C1	ZINC000887677515	592540645	/nfs/dbraw/zinc/54/06/45/592540645.db2.gz	YPFRKYMDENFRKO-PWSUYJOCSA-N	0	1	237.303	0.222	20	30		BCEDMN
C=CC[C@H](C)NC(=O)NCc1n[nH]c(=O)n1C	ZINC000889583105	592621749	/nfs/dbraw/zinc/62/17/49/592621749.db2.gz	ZNHFPSCWPHFFAX-ZETCQYMHSA-N	0	1	239.279	0.285	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCc1n[nH]c(C)n1	ZINC000889703195	592648935	/nfs/dbraw/zinc/64/89/35/592648935.db2.gz	UCYVRBHUZVHVJL-JTQLQIEISA-N	0	1	224.264	0.056	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@H]1c1cc[nH]n1	ZINC000294084212	592725174	/nfs/dbraw/zinc/72/51/74/592725174.db2.gz	LKTLJVXEFAVCQR-LBPRGKRZSA-N	0	1	246.314	0.686	20	30		BCEDMN
N#Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)ccn1	ZINC000068757073	597366162	/nfs/dbraw/zinc/36/61/62/597366162.db2.gz	WIVWASUOLBNOTM-SNVBAGLBSA-N	0	1	231.255	0.860	20	30		BCEDMN
N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000819090991	597525662	/nfs/dbraw/zinc/52/56/62/597525662.db2.gz	NGEWSXSDSNMCSE-UWVGGRQHSA-N	0	1	221.260	0.836	20	30		BCEDMN
COCC[N@@H+](CC(=O)[O-])CC1(C#N)CC1	ZINC000691553936	598088845	/nfs/dbraw/zinc/08/88/45/598088845.db2.gz	OCUNDAXMVQAGAZ-UHFFFAOYSA-N	0	1	212.249	0.323	20	30		BCEDMN
C#CC[N@H+](CCC(=O)[O-])C[C@H]1CCCO1	ZINC000071741892	599991457	/nfs/dbraw/zinc/99/14/57/599991457.db2.gz	OXTVBVZHQMFIBW-SNVBAGLBSA-N	0	1	211.261	0.575	20	30		BCEDMN
CC(C)[N@@H+](CCC(=O)[O-])CC(=O)NCCC#N	ZINC000037596006	600222066	/nfs/dbraw/zinc/22/20/66/600222066.db2.gz	NSAVNVGEXUIQKW-UHFFFAOYSA-N	0	1	241.291	0.201	20	30		BCEDMN
C=CCCC[N@@H+](C)Cn1cnc(C(=O)[O-])n1	ZINC000736102778	600258529	/nfs/dbraw/zinc/25/85/29/600258529.db2.gz	YPNZUFOKIBSNPL-UHFFFAOYSA-N	0	1	224.264	0.832	20	30		BCEDMN
C=CCCC[N@H+](C)Cn1cnc(C(=O)[O-])n1	ZINC000736102778	600258530	/nfs/dbraw/zinc/25/85/30/600258530.db2.gz	YPNZUFOKIBSNPL-UHFFFAOYSA-N	0	1	224.264	0.832	20	30		BCEDMN
N#CCC[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1	ZINC000739073573	600516556	/nfs/dbraw/zinc/51/65/56/600516556.db2.gz	VLACZQUUNLCGDW-SNVBAGLBSA-N	0	1	226.276	0.856	20	30		BCEDMN
N#CCC[N@H+](CCC(=O)[O-])C[C@H]1CCCO1	ZINC000739073573	600516559	/nfs/dbraw/zinc/51/65/59/600516559.db2.gz	VLACZQUUNLCGDW-SNVBAGLBSA-N	0	1	226.276	0.856	20	30		BCEDMN
C=CCC[N@H+](CCOC)CCC(=O)[O-]	ZINC000736102738	600570886	/nfs/dbraw/zinc/57/08/86/600570886.db2.gz	VKUCJQGBWUGJJS-UHFFFAOYSA-N	0	1	201.266	0.986	20	30		BCEDMN
CC#CC[N@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC000085611861	601017093	/nfs/dbraw/zinc/01/70/93/601017093.db2.gz	AAEHJBTWKPQYES-SECBINFHSA-N	0	1	213.302	0.902	20	30		BCEDMN
C[C@@H](CC#N)[N@H+](C)C[C@@](C)(O)C(=O)[O-]	ZINC000227070687	605497734	/nfs/dbraw/zinc/49/77/34/605497734.db2.gz	OOOPJYJLAATTQJ-IONNQARKSA-N	0	1	200.238	0.056	20	30		BCEDMN
C[C@@H](CC#N)[N@@H+](C)C[C@@](C)(O)C(=O)[O-]	ZINC000227070687	605497736	/nfs/dbraw/zinc/49/77/36/605497736.db2.gz	OOOPJYJLAATTQJ-IONNQARKSA-N	0	1	200.238	0.056	20	30		BCEDMN
N#CC1(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)CC1	ZINC000833964697	606002740	/nfs/dbraw/zinc/00/27/40/606002740.db2.gz	NOECIKQZNHDNHB-SECBINFHSA-N	0	1	223.276	0.880	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](C)[C@H](OC)C1	ZINC000299893884	634396935	/nfs/dbraw/zinc/39/69/35/634396935.db2.gz	PZFOKVAGJNKYQB-WDEREUQCSA-N	0	1	224.304	0.093	20	30		BCEDMN
C#CCOCCN[C@@H]1COCCC1(OC)OC	ZINC000931674980	635199262	/nfs/dbraw/zinc/19/92/62/635199262.db2.gz	LMCONIHPNNLUDC-LLVKDONJSA-N	0	1	243.303	0.004	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C#CC2CC2)C1	ZINC000971512770	631288638	/nfs/dbraw/zinc/28/86/38/631288638.db2.gz	GGTWBGPNGLRQRX-ZDUSSCGKSA-N	0	1	230.311	0.566	20	30		BCEDMN
Cc1nc([C@@H](C)N2CCO[C@@](C)(C#N)C2)n[nH]1	ZINC000933611390	631460914	/nfs/dbraw/zinc/46/09/14/631460914.db2.gz	YAYNWWZWESWRCC-KCJUWKMLSA-N	0	1	235.291	0.789	20	30		BCEDMN
CC(C)N(CCO[C@H](C)C#N)CC(N)=O	ZINC000308839777	631678826	/nfs/dbraw/zinc/67/88/26/631678826.db2.gz	YDPCWPQZVKACIV-SECBINFHSA-N	0	1	213.281	0.111	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1	ZINC000971963283	631701105	/nfs/dbraw/zinc/70/11/05/631701105.db2.gz	IEEFJUIFLLJLNG-NSHDSACASA-N	0	1	249.289	0.933	20	30		BCEDMN
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C=CC[C@@H]1CCN1CC(=O)NCCC(=O)OC	ZINC000934470415	631863951	/nfs/dbraw/zinc/86/39/51/631863951.db2.gz	DFGTZUXNCWMGMO-SNVBAGLBSA-N	0	1	240.303	0.316	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1CCOC1=O	ZINC000934511073	631892898	/nfs/dbraw/zinc/89/28/98/631892898.db2.gz	ITLKCCIKXOTODB-LLVKDONJSA-N	0	1	222.288	0.926	20	30		BCEDMN
C#C[C@@H]1CCCCN1CCN1C(=O)N[C@H](C)C1=O	ZINC000934514717	631894707	/nfs/dbraw/zinc/89/47/07/631894707.db2.gz	ANGCCQABCJJYKS-GHMZBOCLSA-N	0	1	249.314	0.414	20	30		BCEDMN
C#CCSCCNS(=O)(=O)c1ncc[nH]1	ZINC000308857456	631961445	/nfs/dbraw/zinc/96/14/45/631961445.db2.gz	OLYUUVVXSFPIRX-UHFFFAOYSA-N	0	1	245.329	0.054	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1	ZINC000972423926	632029606	/nfs/dbraw/zinc/02/96/06/632029606.db2.gz	KYBDGVQELNOEDB-RYUDHWBXSA-N	0	1	232.327	0.952	20	30		BCEDMN
CN1CC[C@H](NCc2nc(C#N)cs2)C1	ZINC000308914263	632422315	/nfs/dbraw/zinc/42/23/15/632422315.db2.gz	FKNUEQOWQCPAFO-QMMMGPOBSA-N	0	1	222.317	0.808	20	30		BCEDMN
C=CCN(CC(=O)OCC)C(=O)c1cnc[nH]1	ZINC000157363805	632425384	/nfs/dbraw/zinc/42/53/84/632425384.db2.gz	COAJDASRNNELTB-UHFFFAOYSA-N	0	1	237.259	0.601	20	30		BCEDMN
CC1(C)C[C@@H]1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000309503686	632433417	/nfs/dbraw/zinc/43/34/17/632433417.db2.gz	MJAZGLPRDXQYGZ-HLTSFMKQSA-N	0	1	207.277	0.260	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cccnn2)C1	ZINC000972599325	632513143	/nfs/dbraw/zinc/51/31/43/632513143.db2.gz	YDHMWLGILIYMDV-NSHDSACASA-N	0	1	244.298	0.256	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\C1CC1	ZINC000309623157	632585487	/nfs/dbraw/zinc/58/54/87/632585487.db2.gz	IFFSVDMGHSFXOV-QKMQQOOLSA-N	0	1	205.261	0.180	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccs1	ZINC000309637151	632597321	/nfs/dbraw/zinc/59/73/21/632597321.db2.gz	NBKQHFXSRVLOAC-JGVFFNPUSA-N	0	1	221.285	0.589	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CCC[C@H](C#N)C1	ZINC000260114889	632603204	/nfs/dbraw/zinc/60/32/04/632603204.db2.gz	RELMONZZIOFXGU-GHMZBOCLSA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2nocc2C)C1	ZINC000972685185	632606253	/nfs/dbraw/zinc/60/62/53/632606253.db2.gz	SMORTVJMIQAHOE-NSHDSACASA-N	0	1	247.298	0.763	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccsc1	ZINC000309653320	632618641	/nfs/dbraw/zinc/61/86/41/632618641.db2.gz	UNYDRDALVUIFMK-DTWKUNHWSA-N	0	1	221.285	0.589	20	30		BCEDMN
CC(C)SCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000309507677	633181813	/nfs/dbraw/zinc/18/18/13/633181813.db2.gz	NWQFYVSNGPLBSN-BDAKNGLRSA-N	0	1	227.333	0.356	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccoc1	ZINC000309635630	633214734	/nfs/dbraw/zinc/21/47/34/633214734.db2.gz	MIWVGDKKILRSHD-RKDXNWHRSA-N	0	1	205.217	0.121	20	30		BCEDMN
C#CCNC(=O)c1[nH]nc2c1CCCC2	ZINC000126703647	635969283	/nfs/dbraw/zinc/96/92/83/635969283.db2.gz	SVJZGHDWIFSSJU-UHFFFAOYSA-N	0	1	203.245	0.652	20	30		BCEDMN
C#CCNC(=O)CN(C)C1Cc2ccccc2C1	ZINC000049000740	636002636	/nfs/dbraw/zinc/00/26/36/636002636.db2.gz	IUYPFLXATBMSEV-UHFFFAOYSA-N	0	1	242.322	0.835	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)CCCCC#N	ZINC000928552148	636084466	/nfs/dbraw/zinc/08/44/66/636084466.db2.gz	HXBOGSOYIITFNK-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1C	ZINC000928557965	636098523	/nfs/dbraw/zinc/09/85/23/636098523.db2.gz	VSURWDPRSGTVOT-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000909515618	636135183	/nfs/dbraw/zinc/13/51/83/636135183.db2.gz	DTRJEVUOQAIART-JTQLQIEISA-N	0	1	240.303	0.570	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1	ZINC001025816539	633778126	/nfs/dbraw/zinc/77/81/26/633778126.db2.gz	XQSWWAQBOVAJRK-NGEZQELSSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CO1	ZINC001025906415	633818029	/nfs/dbraw/zinc/81/80/29/633818029.db2.gz	NGOUGVGQAKGQTI-IEECTRCBSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(C)C	ZINC001026128814	633853211	/nfs/dbraw/zinc/85/32/11/633853211.db2.gz	XFHOMNVSGJYRPI-QSLWVIQJSA-N	0	1	246.354	0.958	20	30		BCEDMN
CC#CCN(C)C[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000930589787	633914527	/nfs/dbraw/zinc/91/45/27/633914527.db2.gz	NWGBRJMNCLRFQU-WOPDTQHZSA-N	0	1	209.289	0.745	20	30		BCEDMN
C[C@H](CC(N)=O)NCc1ccc(C#N)cn1	ZINC000309543227	633949390	/nfs/dbraw/zinc/94/93/90/633949390.db2.gz	GGMXKUTZKYZNFR-MRVPVSSYSA-N	0	1	218.260	0.307	20	30		BCEDMN
C#CC[C@H](CO)NCc1cccc(C#N)n1	ZINC000895490142	636151296	/nfs/dbraw/zinc/15/12/96/636151296.db2.gz	MXXAMDWZYAKJKX-GFCCVEGCSA-N	0	1	215.256	0.427	20	30		BCEDMN
Cc1noc(NC(=O)NCC#CCN(C)C)n1	ZINC000930755002	634089770	/nfs/dbraw/zinc/08/97/70/634089770.db2.gz	UJXOCCPNEWROGQ-UHFFFAOYSA-N	0	1	237.263	0.065	20	30		BCEDMN
C=CC[C@H](CO)CN[C@H](C)c1cnn(C)n1	ZINC000925698700	634365350	/nfs/dbraw/zinc/36/53/50/634365350.db2.gz	TXFMTFFIGTXZCG-ZJUUUORDSA-N	0	1	224.308	0.650	20	30		BCEDMN
C[C@@H](NCc1nc(C#N)cs1)[C@H](C)O	ZINC000336670166	635199714	/nfs/dbraw/zinc/19/97/14/635199714.db2.gz	YKHAKWCRCVFTDT-RQJHMYQMSA-N	0	1	211.290	0.874	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ccn[nH]1	ZINC001027764775	635139011	/nfs/dbraw/zinc/13/90/11/635139011.db2.gz	IWOQUAZRPOILET-SNVBAGLBSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ccn[nH]1	ZINC001027764774	635139916	/nfs/dbraw/zinc/13/99/16/635139916.db2.gz	IWOQUAZRPOILET-JTQLQIEISA-N	0	1	232.287	0.237	20	30		BCEDMN
CC#CCN1CCC[C@H]1CNC(=O)c1cn[nH]c1	ZINC001027765143	635140162	/nfs/dbraw/zinc/14/01/62/635140162.db2.gz	LNZRVTDDEKZYFR-LBPRGKRZSA-N	0	1	246.314	0.627	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cn[nH]c1	ZINC001027770619	635142391	/nfs/dbraw/zinc/14/23/91/635142391.db2.gz	XSOVPPLCSMOFID-LLVKDONJSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ccnn1C	ZINC001027781636	635149280	/nfs/dbraw/zinc/14/92/80/635149280.db2.gz	BLYPHKWFDHZMEI-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCOC1	ZINC001027781227	635149297	/nfs/dbraw/zinc/14/92/97/635149297.db2.gz	GNNDJQNIGOLDRF-RYUDHWBXSA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCN1CCCN(C(=O)c2ccn[nH]2)CC1	ZINC000980744344	635264649	/nfs/dbraw/zinc/26/46/49/635264649.db2.gz	YPNDIVBBSPYYDP-UHFFFAOYSA-N	0	1	232.287	0.191	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cncn1C	ZINC001028004900	635300324	/nfs/dbraw/zinc/30/03/24/635300324.db2.gz	WQFWEYYLBCAMAX-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
N#CC[C@@H](O)CN1CCC[C@H](c2ncccn2)C1	ZINC000931747536	635302457	/nfs/dbraw/zinc/30/24/57/635302457.db2.gz	ADVYYXZDAPLIRE-NWDGAFQWSA-N	0	1	246.314	0.931	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001028084950	635357532	/nfs/dbraw/zinc/35/75/32/635357532.db2.gz	AWEGOUNQRSUZHM-WUHRBBMRSA-N	0	1	248.326	0.093	20	30		BCEDMN
C#CCN1CCCC2(CN(C(=O)CC)C2)C1	ZINC000981566224	635371766	/nfs/dbraw/zinc/37/17/66/635371766.db2.gz	VDMPKQGNSLHGMI-UHFFFAOYSA-N	0	1	220.316	0.954	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NC1CCN(CC#C)CC1	ZINC000928650330	636260115	/nfs/dbraw/zinc/26/01/15/636260115.db2.gz	AFJFHLYTWDFBDO-LBPRGKRZSA-N	0	1	248.326	0.239	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2ncc[nH]2)CC1	ZINC000928650938	636263034	/nfs/dbraw/zinc/26/30/34/636263034.db2.gz	ISQUATPJMJSJPD-UHFFFAOYSA-N	0	1	232.287	0.237	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cnco2)CC1	ZINC000928654408	636269980	/nfs/dbraw/zinc/26/99/80/636269980.db2.gz	AEWHAGCZSZPUMV-UHFFFAOYSA-N	0	1	233.271	0.502	20	30		BCEDMN
COC(=O)[C@H]1CSCCN1C(=O)C(C)C#N	ZINC000925209848	636388668	/nfs/dbraw/zinc/38/86/68/636388668.db2.gz	UITBGAURMMJSQD-JGVFFNPUSA-N	0	1	242.300	0.263	20	30		BCEDMN
Cc1ccc(C(=O)NCc2c[nH]nn2)cc1C#N	ZINC000799669191	636632394	/nfs/dbraw/zinc/63/23/94/636632394.db2.gz	JCSAQTTUIPSFFC-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
C#CCNCC(=O)N1CCC[C@H](OCC)C1	ZINC000086157133	636634580	/nfs/dbraw/zinc/63/45/80/636634580.db2.gz	LBKRJIIOBCRWFE-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C[C@H]1C[C@H](NCC#N)CN1C(=O)Cc1ccn[nH]1	ZINC000988437544	636711030	/nfs/dbraw/zinc/71/10/30/636711030.db2.gz	MDZCGSZGSFZSNH-ONGXEEELSA-N	0	1	247.302	0.055	20	30		BCEDMN
C=C(CC)CNC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897933282	636846670	/nfs/dbraw/zinc/84/66/70/636846670.db2.gz	WXNYLAZKXHNKIB-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCNC(=O)CN1CCC(OCC)CC1	ZINC000108644912	636870425	/nfs/dbraw/zinc/87/04/25/636870425.db2.gz	IEBPOEMTDUBCHJ-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=CCC1(O)CCN(C(=O)[C@@H](C)N(C)C)CC1	ZINC000899594217	637099329	/nfs/dbraw/zinc/09/93/29/637099329.db2.gz	YTMXSTAVQOBEHO-LLVKDONJSA-N	0	1	240.347	0.866	20	30		BCEDMN
CCn1nncc1/C=C1\C(=O)c2ncnn2C1C	ZINC000905083003	637583232	/nfs/dbraw/zinc/58/32/32/637583232.db2.gz	AGEHJHSBGXYGRZ-YHESJLBYSA-N	0	1	244.258	0.730	20	30		BCEDMN
Cc1cc(NC(=O)NCC#CCN(C)C)n(C)n1	ZINC000905154167	637637112	/nfs/dbraw/zinc/63/71/12/637637112.db2.gz	YOQDJVGSDSBPFP-UHFFFAOYSA-N	0	1	249.318	0.415	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCC2CC2)CC1	ZINC000905144708	637653953	/nfs/dbraw/zinc/65/39/53/637653953.db2.gz	HJQHFFWEHMNQBH-UHFFFAOYSA-N	0	1	235.331	0.793	20	30		BCEDMN
N#CCCNC[C@H](O)CCC1(O)CCC1	ZINC000905238820	637724343	/nfs/dbraw/zinc/72/43/43/637724343.db2.gz	YDUYPQKAWUSAMM-SNVBAGLBSA-N	0	1	212.293	0.546	20	30		BCEDMN
N#CC1(CNC[C@H](O)C2(O)CCCC2)CCC1	ZINC000905289029	637740093	/nfs/dbraw/zinc/74/00/93/637740093.db2.gz	PXSSWDMEZJGKTN-NSHDSACASA-N	0	1	238.331	0.936	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)C[C@H](O)c1ccccc1	ZINC000905365237	637788118	/nfs/dbraw/zinc/78/81/18/637788118.db2.gz	HVKDRIVMGRNJOK-RDBSUJKOSA-N	0	1	249.310	0.055	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1cccc(C)c1	ZINC000905365964	637788945	/nfs/dbraw/zinc/78/89/45/637788945.db2.gz	LOFWKZOFYHATJC-CHWSQXEVSA-N	0	1	219.284	0.612	20	30		BCEDMN
C#C[C@@H](CO)NC[C@H](O)c1cccc(C)c1	ZINC000905365967	637789377	/nfs/dbraw/zinc/78/93/77/637789377.db2.gz	LOFWKZOFYHATJC-STQMWFEESA-N	0	1	219.284	0.612	20	30		BCEDMN
C=C(C)CNC(=S)NC[C@@H]1CCN1C	ZINC000905649464	637870095	/nfs/dbraw/zinc/87/00/95/637870095.db2.gz	WZBVJKSKVXMVDQ-VIFPVBQESA-N	0	1	213.350	0.731	20	30		BCEDMN
CC(C)NCc1cn(CCO[C@H](C)C#N)nn1	ZINC000905804417	637933453	/nfs/dbraw/zinc/93/34/53/637933453.db2.gz	YWQYFOKIWOSXFP-SNVBAGLBSA-N	0	1	237.307	0.705	20	30		BCEDMN
C=CC[C@H](NC[C@H]1CCN1CC)C(=O)OC	ZINC000905802974	637934184	/nfs/dbraw/zinc/93/41/84/637934184.db2.gz	AQIOERTVSHGFTR-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
CC[C@H](C#N)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000906007664	638021726	/nfs/dbraw/zinc/02/17/26/638021726.db2.gz	XDWGYDIGRINAOZ-SSDOTTSWSA-N	0	1	222.248	0.500	20	30		BCEDMN
CC[C@@H](C#N)N(C)C(=O)C1=NC(=O)N(C)C1	ZINC000906007665	638022181	/nfs/dbraw/zinc/02/21/81/638022181.db2.gz	XDWGYDIGRINAOZ-ZETCQYMHSA-N	0	1	222.248	0.500	20	30		BCEDMN
C=CCCCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907445257	638386500	/nfs/dbraw/zinc/38/65/00/638386500.db2.gz	AGBAEZZOMPKBEM-DGCLKSJQSA-N	0	1	240.347	0.914	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000907713837	638443243	/nfs/dbraw/zinc/44/32/43/638443243.db2.gz	NFSJSGBHJHYDFO-NTZNESFSSA-N	0	1	238.331	0.360	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)Cc1cnc[nH]1	ZINC000907706619	638452165	/nfs/dbraw/zinc/45/21/65/638452165.db2.gz	FEVZPZYPRVFDMQ-VIFPVBQESA-N	0	1	205.261	0.870	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCN1C(C)(C)C	ZINC000907980172	638534315	/nfs/dbraw/zinc/53/43/15/638534315.db2.gz	RLJDESUYXAPHMW-LLVKDONJSA-N	0	1	233.315	0.845	20	30		BCEDMN
C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12	ZINC000908436786	638714719	/nfs/dbraw/zinc/71/47/19/638714719.db2.gz	IAJLEYVGSIRNAO-WCFLWFBJSA-N	0	1	248.326	0.283	20	30		BCEDMN
C[C@@H](CC#N)C(=O)NC(C)(C)c1c[nH]nn1	ZINC000909723983	639213423	/nfs/dbraw/zinc/21/34/23/639213423.db2.gz	JJGGOMYKNLQNFD-ZETCQYMHSA-N	0	1	221.264	0.706	20	30		BCEDMN
C#CC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1	ZINC000911571331	639670685	/nfs/dbraw/zinc/67/06/85/639670685.db2.gz	CEILMXOQXMZPCZ-UHFFFAOYSA-N	0	1	235.243	0.937	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1cccnn1	ZINC000930349645	639725579	/nfs/dbraw/zinc/72/55/79/639725579.db2.gz	XJPKDKOCUMKNSD-UHFFFAOYSA-N	0	1	233.275	0.163	20	30		BCEDMN
CC[C@@H](CO)N1CCC(C#N)(C(=O)OC)CC1	ZINC000930638671	639836757	/nfs/dbraw/zinc/83/67/57/639836757.db2.gz	JJMGTBRJFOWVCX-JTQLQIEISA-N	0	1	240.303	0.536	20	30		BCEDMN
C=CCNC(=O)c1ccc2c(n1)CNCC2	ZINC000911926400	639883067	/nfs/dbraw/zinc/88/30/67/639883067.db2.gz	YERJGVYMYFIBNG-UHFFFAOYSA-N	0	1	217.272	0.643	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C	ZINC000911902690	639884297	/nfs/dbraw/zinc/88/42/97/639884297.db2.gz	CRNPGZLCXOFHSW-NGZCFLSTSA-N	0	1	228.292	0.064	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[C@@]1(O)CCC[N@H+](C)C1	ZINC000911902712	639884511	/nfs/dbraw/zinc/88/45/11/639884511.db2.gz	DDTAFNPSEWADHS-PWSUYJOCSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@@H](C)O[N-]C(=O)C[C@@]1(O)CCC[N@@H+](C)C1	ZINC000911902712	639884514	/nfs/dbraw/zinc/88/45/14/639884514.db2.gz	DDTAFNPSEWADHS-PWSUYJOCSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[C@@]1(O)CCC[N@H+](C)C1	ZINC000911902711	639884777	/nfs/dbraw/zinc/88/47/77/639884777.db2.gz	DDTAFNPSEWADHS-JQWIXIFHSA-N	0	1	242.319	0.456	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)C[C@@]1(O)CCC[N@@H+](C)C1	ZINC000911902711	639884781	/nfs/dbraw/zinc/88/47/81/639884781.db2.gz	DDTAFNPSEWADHS-JQWIXIFHSA-N	0	1	242.319	0.456	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCO[C@@H]2CCOC2)C1	ZINC000930818827	639920555	/nfs/dbraw/zinc/92/05/55/639920555.db2.gz	PFGVSMOFDLKODQ-NEPJUHHUSA-N	0	1	240.303	0.142	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1	ZINC000912029561	639922240	/nfs/dbraw/zinc/92/22/40/639922240.db2.gz	AOPIZWZJVWOGNZ-WDEREUQCSA-N	0	1	240.347	0.722	20	30		BCEDMN
C[C@@H](CC#N)C(=O)N1CC(N2CCCC2)C1	ZINC000912320471	640026567	/nfs/dbraw/zinc/02/65/67/640026567.db2.gz	BICLTFRJSLGIQM-JTQLQIEISA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CC(N2CCCC2)C1	ZINC000912320472	640027108	/nfs/dbraw/zinc/02/71/08/640027108.db2.gz	BICLTFRJSLGIQM-SNVBAGLBSA-N	0	1	221.304	0.843	20	30		BCEDMN
C=CCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000912378492	640034299	/nfs/dbraw/zinc/03/42/99/640034299.db2.gz	HHAQNAIFVVBPTL-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
COC(=O)[C@@H]1CCN(C[C@H](O)CC#N)C[C@@H]1C	ZINC000931062805	640051344	/nfs/dbraw/zinc/05/13/44/640051344.db2.gz	UQEWQDLIDRNJBE-HBNTYKKESA-N	0	1	240.303	0.392	20	30		BCEDMN
CCC#C[C@H](C)N1CCC(OC)(OC)[C@H](O)C1	ZINC000931633527	640295833	/nfs/dbraw/zinc/29/58/33/640295833.db2.gz	GWZBGKYQMVBYDE-NWDGAFQWSA-N	0	1	241.331	0.844	20	30		BCEDMN
C=C(C)[C@@H](CO)N[C@@H]1COCCC1(OC)OC	ZINC000931673686	640310914	/nfs/dbraw/zinc/31/09/14/640310914.db2.gz	UDSUHSMZDPEMIG-GHMZBOCLSA-N	0	1	245.319	0.291	20	30		BCEDMN
CC[C@H](C)[C@H](NCc1cncc(C#N)c1)C(N)=O	ZINC000931761844	640354776	/nfs/dbraw/zinc/35/47/76/640354776.db2.gz	PSJIHJCQHBBTRF-CABZTGNLSA-N	0	1	246.314	0.943	20	30		BCEDMN
C[C@H](CC(=O)NCC#CCN(C)C)n1cccn1	ZINC000913523428	640379635	/nfs/dbraw/zinc/37/96/35/640379635.db2.gz	ZQHULQKLBRWVHD-GFCCVEGCSA-N	0	1	248.330	0.515	20	30		BCEDMN
Cc1ccc(C(=O)NCC#CCN(C)C)cn1	ZINC000913516184	640380538	/nfs/dbraw/zinc/38/05/38/640380538.db2.gz	FIQJCFHZUDDEJX-UHFFFAOYSA-N	0	1	231.299	0.685	20	30		BCEDMN
Cc1nnccc1C(=O)NCC#CCN(C)C	ZINC000913520193	640381879	/nfs/dbraw/zinc/38/18/79/640381879.db2.gz	HUPSCALOHBXKFB-UHFFFAOYSA-N	0	1	232.287	0.080	20	30		BCEDMN
CC[C@@H](C)[C@H](O)C(=O)NCC#CCN(C)C	ZINC000913520643	640382048	/nfs/dbraw/zinc/38/20/48/640382048.db2.gz	WCFRLKBXURTOSQ-MNOVXSKESA-N	0	1	226.320	0.075	20	30		BCEDMN
C[C@@H]1C[C@@H](C(=O)NCC#CCN(C)C)CCO1	ZINC000913520144	640382801	/nfs/dbraw/zinc/38/28/01/640382801.db2.gz	FNNOKUNCBLCYTC-NEPJUHHUSA-N	0	1	238.331	0.483	20	30		BCEDMN
CN(C)CC#CCNC(=O)CCCn1cccc1	ZINC000913519916	640382855	/nfs/dbraw/zinc/38/28/55/640382855.db2.gz	UOKGIHMBYAOTRI-UHFFFAOYSA-N	0	1	247.342	0.950	20	30		BCEDMN
CO[C@@H](C)CCC(=O)NCC#CCN(C)C	ZINC000913521194	640383571	/nfs/dbraw/zinc/38/35/71/640383571.db2.gz	OFNFRHNCYMFKLW-NSHDSACASA-N	0	1	226.320	0.483	20	30		BCEDMN
COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)CC#N)C[C@H]1C	ZINC000932102262	640424652	/nfs/dbraw/zinc/42/46/52/640424652.db2.gz	BDJYZNHXNIRSOM-GMTAPVOTSA-N	0	1	240.303	0.392	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCO[C@H](C)CC1	ZINC000932348698	640489442	/nfs/dbraw/zinc/48/94/42/640489442.db2.gz	GRXBLIYLPKVKMU-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCN(CC(=O)NCC(=O)OC)C(C)(C)C	ZINC000932466255	640538538	/nfs/dbraw/zinc/53/85/38/640538538.db2.gz	WPGSHNNXEYOELD-UHFFFAOYSA-N	0	1	240.303	0.009	20	30		BCEDMN
C[C@H](C#N)OCCN1C2CCC1(C(N)=O)CC2	ZINC000932934682	640647109	/nfs/dbraw/zinc/64/71/09/640647109.db2.gz	MWCVNHAYQTVYMV-GRZMOONWSA-N	0	1	237.303	0.397	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@H](OCC)C1	ZINC000932980319	640661166	/nfs/dbraw/zinc/66/11/66/640661166.db2.gz	VXLYMANUPBIQTJ-JTQLQIEISA-N	0	1	212.293	0.399	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCC[C@H]1C1OCCO1	ZINC000933900167	640784043	/nfs/dbraw/zinc/78/40/43/640784043.db2.gz	VIUOKKIPQVIHGA-QWRGUYRKSA-N	0	1	240.303	0.752	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCC[C@@H]1C1OCCO1	ZINC000933900383	640784795	/nfs/dbraw/zinc/78/47/95/640784795.db2.gz	VIUOKKIPQVIHGA-WDEREUQCSA-N	0	1	240.303	0.752	20	30		BCEDMN
CC(C)(CC(N)=O)NCc1ccc(C#N)o1	ZINC000227057143	640812535	/nfs/dbraw/zinc/81/25/35/640812535.db2.gz	FYASCDUFKICWCH-UHFFFAOYSA-N	0	1	221.260	0.895	20	30		BCEDMN
C#CCNC(=O)CN1CCSC(C)(C)CC1	ZINC000228089511	640860690	/nfs/dbraw/zinc/86/06/90/640860690.db2.gz	XCSIJULHQPTUCU-UHFFFAOYSA-N	0	1	240.372	0.953	20	30		BCEDMN
C#CCCN1CC(NC(=O)[C@@H]2CCCCN2C)C1	ZINC001030532273	640900463	/nfs/dbraw/zinc/90/04/63/640900463.db2.gz	KJZVXJFFRITFKC-ZDUSSCGKSA-N	0	1	249.358	0.294	20	30		BCEDMN
CSCCC(=O)C(C#N)C(=O)NC(C)C	ZINC000171481652	640983306	/nfs/dbraw/zinc/98/33/06/640983306.db2.gz	OECPFZQRWYGHRE-QMMMGPOBSA-N	0	1	228.317	0.973	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)[C@@H]1CC[C@H]1OC	ZINC000934128295	641085560	/nfs/dbraw/zinc/08/55/60/641085560.db2.gz	RGDPDPLJQVQJHT-HBNTYKKESA-N	0	1	226.320	0.786	20	30		BCEDMN
C=CC[C@H]1CCN1[C@H]1CCN(OC)C1=O	ZINC000934461459	641153651	/nfs/dbraw/zinc/15/36/51/641153651.db2.gz	NGEIUQJWYRENHJ-UWVGGRQHSA-N	0	1	210.277	0.799	20	30		BCEDMN
C#C[C@@H]1CCCCN1C[C@@H](O)CC(=O)OCC	ZINC000934515516	641183547	/nfs/dbraw/zinc/18/35/47/641183547.db2.gz	MRSDZPLNGYSISZ-NEPJUHHUSA-N	0	1	239.315	0.788	20	30		BCEDMN
Cc1cc(C(=O)N2CC[C@@H](N(C)CC#N)C2)n[nH]1	ZINC000971149651	641196580	/nfs/dbraw/zinc/19/65/80/641196580.db2.gz	LECBYSSIGGDBAI-SNVBAGLBSA-N	0	1	247.302	0.388	20	30		BCEDMN
C=CCC[C@H](O)CN1CC[C@H](O)[C@@H](F)C1	ZINC000934578618	641207941	/nfs/dbraw/zinc/20/79/41/641207941.db2.gz	UZUIHKYNRQMZDF-DCAQKATOSA-N	0	1	217.284	0.718	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1CCC1	ZINC000173958026	641220989	/nfs/dbraw/zinc/22/09/89/641220989.db2.gz	MPUJNERPPVKVOB-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
C=CCOCCCC(=O)NC12CCN(CC1)C2	ZINC000913630660	641434711	/nfs/dbraw/zinc/43/47/11/641434711.db2.gz	HYABTUKMYWXCQW-UHFFFAOYSA-N	0	1	238.331	0.934	20	30		BCEDMN
C=CCn1cc(C(=O)NC23CCN(CC2)C3)nn1	ZINC000913635593	641437818	/nfs/dbraw/zinc/43/78/18/641437818.db2.gz	KUIWFUWDMDVUNM-UHFFFAOYSA-N	0	1	247.302	0.042	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@@H]1CC(C)C	ZINC000913906030	641518313	/nfs/dbraw/zinc/51/83/13/641518313.db2.gz	FLWOIMCFDXBENE-LBPRGKRZSA-N	0	1	237.347	0.991	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN1CC[C@@H]2C[C@@H]21	ZINC000761097024	641595733	/nfs/dbraw/zinc/59/57/33/641595733.db2.gz	RLOYXBDMBCBVDU-BDAKNGLRSA-N	0	1	223.276	0.092	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)C2CC2)[C@H]1C	ZINC000992972756	641687693	/nfs/dbraw/zinc/68/76/93/641687693.db2.gz	FHCGMSDEUXWOFX-PWSUYJOCSA-N	0	1	220.316	0.999	20	30		BCEDMN
Cc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834510904	641725769	/nfs/dbraw/zinc/72/57/69/641725769.db2.gz	GYAXCGRNGZLXPW-NWDGAFQWSA-N	0	1	229.283	0.836	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)NC[C@H]1CCN1C	ZINC000925419196	641773870	/nfs/dbraw/zinc/77/38/70/641773870.db2.gz	MGCHITRSNSSTAE-WDEREUQCSA-N	0	1	241.335	0.174	20	30		BCEDMN
C=CCCN(C)C(=O)NC[C@@H]1CCN1C	ZINC000925422507	641807578	/nfs/dbraw/zinc/80/75/78/641807578.db2.gz	ZBRGIWBVGSTPIT-JTQLQIEISA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CCCN(C)C(=O)NC[C@H]1CCN1C	ZINC000925422509	641807608	/nfs/dbraw/zinc/80/76/08/641807608.db2.gz	ZBRGIWBVGSTPIT-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CCO[N-]C(=O)[C@H]1CCC[N@H+]1C1CC1	ZINC000837047569	641840249	/nfs/dbraw/zinc/84/02/49/641840249.db2.gz	BVIWIVIXCRBBDS-SNVBAGLBSA-N	0	1	210.277	0.847	20	30		BCEDMN
N#C[C@H]1CN(C(=O)c2cnc[nH]2)CCN1C1CC1	ZINC000732678280	641863808	/nfs/dbraw/zinc/86/38/08/641863808.db2.gz	ZOPAIBIQJSMFNB-JTQLQIEISA-N	0	1	245.286	0.222	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncn[n-]2)[C@H]1C	ZINC000994019832	641881287	/nfs/dbraw/zinc/88/12/87/641881287.db2.gz	JDMLXCJTZDQZLI-NXEZZACHSA-N	0	1	247.302	0.021	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)CC1CC1	ZINC000916870115	641982885	/nfs/dbraw/zinc/98/28/85/641982885.db2.gz	APPQFGOWJMULIW-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
N#C[C@H](C(=O)CC1CC1)C(=O)NC1CC1	ZINC000916931480	641988128	/nfs/dbraw/zinc/98/81/28/641988128.db2.gz	QBSDPDHFMUWUDD-SECBINFHSA-N	0	1	206.245	0.774	20	30		BCEDMN
C=CCN(CC(=O)NC(=O)NC)C(C)C	ZINC000917167064	642022234	/nfs/dbraw/zinc/02/22/34/642022234.db2.gz	REKKQVILHLFKLB-UHFFFAOYSA-N	0	1	213.281	0.338	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cn[nH]c2)C1	ZINC001031560524	642304447	/nfs/dbraw/zinc/30/44/47/642304447.db2.gz	PDZQLPSWFXPRHZ-UHFFFAOYSA-N	0	1	220.276	0.257	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C)n[nH]2)C1	ZINC001031563356	642307307	/nfs/dbraw/zinc/30/73/07/642307307.db2.gz	HBOKSHAEATYMLP-UHFFFAOYSA-N	0	1	234.303	0.566	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)[C@@H]2CCOC2)C1	ZINC001031570493	642321505	/nfs/dbraw/zinc/32/15/05/642321505.db2.gz	CCAAJIALCUXRSV-GFCCVEGCSA-N	0	1	238.331	0.647	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cscn2)C1	ZINC000971190802	642321877	/nfs/dbraw/zinc/32/18/77/642321877.db2.gz	JAPMJDJRZDNLOT-JTQLQIEISA-N	0	1	249.339	0.923	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)C2=COCCC2)C1	ZINC000971195532	642323030	/nfs/dbraw/zinc/32/30/30/642323030.db2.gz	TXYCJWBMCANETL-CYBMUJFWSA-N	0	1	248.326	0.847	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@H]2CCCOC2)C1	ZINC001031569403	642323911	/nfs/dbraw/zinc/32/39/11/642323911.db2.gz	CWOBBOVJSCKNAZ-LBPRGKRZSA-N	0	1	238.331	0.647	20	30		BCEDMN
CON1CCN([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000846971794	642344401	/nfs/dbraw/zinc/34/44/01/642344401.db2.gz	OLVBWCZXYUFNLZ-MNOVXSKESA-N	0	1	209.293	0.858	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1	ZINC001031618704	642393191	/nfs/dbraw/zinc/39/31/91/642393191.db2.gz	CJDNNCCMCSCHKS-UHFFFAOYSA-N	0	1	244.298	0.734	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C2=CCOCC2)C1	ZINC000971389688	642396410	/nfs/dbraw/zinc/39/64/10/642396410.db2.gz	UKJGQGGRLIBLRH-ZDUSSCGKSA-N	0	1	248.326	0.499	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccnn2CC)C1	ZINC001031631365	642415274	/nfs/dbraw/zinc/41/52/74/642415274.db2.gz	NSNMOGBJWOXMGF-UHFFFAOYSA-N	0	1	248.330	0.751	20	30		BCEDMN
CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)CC#N	ZINC000933252495	642420044	/nfs/dbraw/zinc/42/00/44/642420044.db2.gz	WXENRLBFSPTPEE-QWHCGFSZSA-N	0	1	239.363	0.923	20	30		BCEDMN
C#CCN1CCC(NC(=O)N(C)CC)CC1	ZINC000921436967	642623610	/nfs/dbraw/zinc/62/36/10/642623610.db2.gz	IWJMEPPNHDKJIY-UHFFFAOYSA-N	0	1	223.320	0.745	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000961565680	642697373	/nfs/dbraw/zinc/69/73/73/642697373.db2.gz	FYSMPPYPYLFRTB-ALUZDYTJSA-N	0	1	244.338	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1	ZINC000961999517	642711472	/nfs/dbraw/zinc/71/14/72/642711472.db2.gz	GIMPFKKQHCVXGM-MEBFFEOJSA-N	0	1	244.338	0.712	20	30		BCEDMN
C#CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000968478022	642812182	/nfs/dbraw/zinc/81/21/82/642812182.db2.gz	ABMOKCGSTNYDNV-SNVBAGLBSA-N	0	1	245.282	0.225	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cnc[nH]c2=O)C1	ZINC001031758590	642813933	/nfs/dbraw/zinc/81/39/33/642813933.db2.gz	YNXIHVDMRSOUAQ-UHFFFAOYSA-N	0	1	248.286	0.030	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001009573514	642835978	/nfs/dbraw/zinc/83/59/78/642835978.db2.gz	SFFNHLVKBDVWET-ZDUSSCGKSA-N	0	1	245.326	0.771	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1	ZINC001010251902	642854406	/nfs/dbraw/zinc/85/44/06/642854406.db2.gz	VDGXQDZEQZXEKE-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001010304957	642856787	/nfs/dbraw/zinc/85/67/87/642856787.db2.gz	VMZJRCSCVYFARE-JTQLQIEISA-N	0	1	220.276	0.400	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1	ZINC001010285502	642858042	/nfs/dbraw/zinc/85/80/42/642858042.db2.gz	KOWTWURUUPOZDE-NEPJUHHUSA-N	0	1	248.330	0.821	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1	ZINC001010333055	642860342	/nfs/dbraw/zinc/86/03/42/642860342.db2.gz	DRURXTGSJSCRNB-GFCCVEGCSA-N	0	1	248.330	0.568	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1	ZINC001010457790	642865483	/nfs/dbraw/zinc/86/54/83/642865483.db2.gz	SGEGTPFZEWYKTK-SNVBAGLBSA-N	0	1	247.298	0.777	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)C=C2CCC2)C1	ZINC001010513238	642868209	/nfs/dbraw/zinc/86/82/09/642868209.db2.gz	QXAKSGSKDVREET-LBPRGKRZSA-N	0	1	218.300	0.920	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2nccc(C)n2)C1	ZINC001010787699	642871607	/nfs/dbraw/zinc/87/16/07/642871607.db2.gz	XNMCCSDBWXTAPE-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C#CC[N@H+]1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001010719181	642872772	/nfs/dbraw/zinc/87/27/72/642872772.db2.gz	IZOXSXBGFDIWGT-SNVBAGLBSA-N	0	1	245.282	0.225	20	30		BCEDMN
C#CC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001010719181	642872775	/nfs/dbraw/zinc/87/27/75/642872775.db2.gz	IZOXSXBGFDIWGT-SNVBAGLBSA-N	0	1	245.282	0.225	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccc(C)nn2)C1	ZINC001014406407	642888534	/nfs/dbraw/zinc/88/85/34/642888534.db2.gz	JLAFIFYEYBNSBA-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2n[nH]cc2C)C1	ZINC001014371192	642890000	/nfs/dbraw/zinc/89/00/00/642890000.db2.gz	SIIUOHXBFUPEEJ-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2[nH]nnc2C)C1	ZINC001015480179	642900228	/nfs/dbraw/zinc/90/02/28/642900228.db2.gz	SJBKMGBWBXHYNF-SECBINFHSA-N	0	1	235.291	0.103	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2[nH]nnc2C)C1	ZINC001015479172	642900365	/nfs/dbraw/zinc/90/03/65/642900365.db2.gz	HFLUTMBEJPGXIR-JTQLQIEISA-N	0	1	249.318	0.493	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1	ZINC001015522715	642904484	/nfs/dbraw/zinc/90/44/84/642904484.db2.gz	LUJASTRCNDZHKA-GRYCIOLGSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2c(C)cnn2C)C1	ZINC001015560319	642905355	/nfs/dbraw/zinc/90/53/55/642905355.db2.gz	UPSYZGWWHGJMOH-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1	ZINC001015722774	642926536	/nfs/dbraw/zinc/92/65/36/642926536.db2.gz	DKIJEAUHDHLNDM-WOPDTQHZSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccnnc2)C1	ZINC001015747888	642930581	/nfs/dbraw/zinc/93/05/81/642930581.db2.gz	WZURULBDJQSXGA-NSHDSACASA-N	0	1	232.287	0.467	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015819401	642931974	/nfs/dbraw/zinc/93/19/74/642931974.db2.gz	HDIREZWHBZDKFZ-JTQLQIEISA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1	ZINC001015819401	642931986	/nfs/dbraw/zinc/93/19/86/642931986.db2.gz	HDIREZWHBZDKFZ-JTQLQIEISA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ncccn2)C1	ZINC001015886150	642938765	/nfs/dbraw/zinc/93/87/65/642938765.db2.gz	YAFBAGDRJNIBNJ-JTQLQIEISA-N	0	1	232.287	0.467	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1	ZINC001015906938	642941950	/nfs/dbraw/zinc/94/19/50/642941950.db2.gz	FRHNLEWKAVGYEL-WCQYABFASA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cn(CC)cn2)C1	ZINC001016004193	642947960	/nfs/dbraw/zinc/94/79/60/642947960.db2.gz	ARVMPUJUXHAARL-LLVKDONJSA-N	0	1	248.330	0.893	20	30		BCEDMN
C=CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016315276	642952612	/nfs/dbraw/zinc/95/26/12/642952612.db2.gz	QEQCAGJYWRJYFM-GFCCVEGCSA-N	0	1	233.315	0.934	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1	ZINC001016315276	642952620	/nfs/dbraw/zinc/95/26/20/642952620.db2.gz	QEQCAGJYWRJYFM-GFCCVEGCSA-N	0	1	233.315	0.934	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016247176	642954927	/nfs/dbraw/zinc/95/49/27/642954927.db2.gz	TXSPFRGAVVPXDO-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001016247176	642954928	/nfs/dbraw/zinc/95/49/28/642954928.db2.gz	TXSPFRGAVVPXDO-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)C1	ZINC001016285203	642955995	/nfs/dbraw/zinc/95/59/95/642955995.db2.gz	XLJXFGVIIYYSRX-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccnc(C)n2)C1	ZINC001016285203	642956002	/nfs/dbraw/zinc/95/60/02/642956002.db2.gz	XLJXFGVIIYYSRX-LLVKDONJSA-N	0	1	246.314	0.775	20	30		BCEDMN
C#CCCCNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000183122851	643089881	/nfs/dbraw/zinc/08/98/81/643089881.db2.gz	YEEIDESLENIMAC-MRVPVSSYSA-N	0	1	221.264	0.578	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cnccn2)C1	ZINC000969229826	643115587	/nfs/dbraw/zinc/11/55/87/643115587.db2.gz	BTJPCCXGWZAMPP-SNVBAGLBSA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2cocn2)[C@H](C)C1	ZINC000941884540	643148018	/nfs/dbraw/zinc/14/80/18/643148018.db2.gz	HHPWMWIRWHWPRU-GHMZBOCLSA-N	0	1	247.298	0.748	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2ccon2)[C@H](C)C1	ZINC000941851290	643148896	/nfs/dbraw/zinc/14/88/96/643148896.db2.gz	SXPMLGKPDHFDCF-GHMZBOCLSA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCOC2)C1	ZINC000969365281	643152120	/nfs/dbraw/zinc/15/21/20/643152120.db2.gz	HYNPXXZUCADSDU-GHMZBOCLSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCOC2)C1	ZINC000969365282	643152859	/nfs/dbraw/zinc/15/28/59/643152859.db2.gz	HYNPXXZUCADSDU-MNOVXSKESA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ccnn2C)C1	ZINC000969385172	643160153	/nfs/dbraw/zinc/16/01/53/643160153.db2.gz	NGVBSFWTCYLWLB-JTQLQIEISA-N	0	1	248.330	0.656	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccn(CC)n2)C1	ZINC001032027159	643197428	/nfs/dbraw/zinc/19/74/28/643197428.db2.gz	PHNVTGDACMBGNV-UHFFFAOYSA-N	0	1	248.330	0.751	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cnnn2C)C1	ZINC000969599034	643198664	/nfs/dbraw/zinc/19/86/64/643198664.db2.gz	JQAQLNBZKNZFKN-SECBINFHSA-N	0	1	249.318	0.051	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cnn(C)n2)C1	ZINC001032048718	643213440	/nfs/dbraw/zinc/21/34/40/643213440.db2.gz	HQRSHQCTWFYLNZ-UHFFFAOYSA-N	0	1	249.318	0.053	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2ccncn2)C1	ZINC001032060000	643219686	/nfs/dbraw/zinc/21/96/86/643219686.db2.gz	DDVDSSKYEIIXRE-UHFFFAOYSA-N	0	1	246.314	0.714	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2cnon2)C1	ZINC001032062447	643222008	/nfs/dbraw/zinc/22/20/08/643222008.db2.gz	CTFXGVGQTQXIBU-UHFFFAOYSA-N	0	1	236.275	0.307	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)c1[nH]nnc1C	ZINC000890653963	643229651	/nfs/dbraw/zinc/22/96/51/643229651.db2.gz	WGVDYGXTGYHZBW-SECBINFHSA-N	0	1	218.260	0.741	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2[nH]cnc2CC)C1	ZINC001032158171	643275189	/nfs/dbraw/zinc/27/51/89/643275189.db2.gz	IBHKTDPNCYGJGH-UHFFFAOYSA-N	0	1	248.330	0.820	20	30		BCEDMN
CO[C@H](C)CC(=O)C(C#N)C(=O)NC(C)C	ZINC000195492393	643355903	/nfs/dbraw/zinc/35/59/03/643355903.db2.gz	RDMPAPIIBULPDJ-RKDXNWHRSA-N	0	1	226.276	0.645	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2[nH]cnc2C)C1	ZINC001032230015	643370621	/nfs/dbraw/zinc/37/06/21/643370621.db2.gz	WHZAUJXDDNHJHH-UHFFFAOYSA-N	0	1	234.303	0.566	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OC	ZINC001032302207	643472289	/nfs/dbraw/zinc/47/22/89/643472289.db2.gz	UDVGRUSAMIPLDU-WOPDTQHZSA-N	0	1	236.315	0.330	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2ncccn2)C1	ZINC000970623774	643486022	/nfs/dbraw/zinc/48/60/22/643486022.db2.gz	ZRLICBXUODCFEU-JTQLQIEISA-N	0	1	246.314	0.713	20	30		BCEDMN
CS(=O)(=O)CCNCC1(CC#N)CC1	ZINC000083853856	643544270	/nfs/dbraw/zinc/54/42/70/643544270.db2.gz	URNMWEPQUCWQPG-UHFFFAOYSA-N	0	1	216.306	0.314	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@@H](OCC)C1	ZINC000084222300	643552308	/nfs/dbraw/zinc/55/23/08/643552308.db2.gz	SLRHYWNVZGZOMI-LLVKDONJSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#C[C@@H](NC(=O)CCc1c[nH]nn1)C1CCCC1	ZINC000921549120	643600046	/nfs/dbraw/zinc/60/00/46/643600046.db2.gz	DCYPPCMDJFIKKW-LLVKDONJSA-N	0	1	247.302	0.936	20	30		BCEDMN
N#C[C@@H](NC(=O)CCc1cnn[nH]1)C1CCCC1	ZINC000921549120	643600050	/nfs/dbraw/zinc/60/00/50/643600050.db2.gz	DCYPPCMDJFIKKW-LLVKDONJSA-N	0	1	247.302	0.936	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C2CCC2)C1	ZINC000970932799	643624723	/nfs/dbraw/zinc/62/47/23/643624723.db2.gz	RVKDRZNDVNZKEY-LBPRGKRZSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC)C1	ZINC000970969349	643641360	/nfs/dbraw/zinc/64/13/60/643641360.db2.gz	QYYQGNORSRPHJU-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)CCC)C1	ZINC000970969349	643641368	/nfs/dbraw/zinc/64/13/68/643641368.db2.gz	QYYQGNORSRPHJU-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
CN(C(=O)Cc1ccn[nH]1)C1CC(NCC#N)C1	ZINC000998572095	643712577	/nfs/dbraw/zinc/71/25/77/643712577.db2.gz	WXCIDGUUYJBAQZ-UHFFFAOYSA-N	0	1	247.302	0.055	20	30		BCEDMN
N#Cc1cc(CNC(CO)CO)cs1	ZINC000921786677	643785381	/nfs/dbraw/zinc/78/53/81/643785381.db2.gz	JLAMEXUVNHDJAK-UHFFFAOYSA-N	0	1	212.274	0.063	20	30		BCEDMN
N#Cc1cc(CN[C@@]2(CO)CCOC2)cs1	ZINC000921992908	643840075	/nfs/dbraw/zinc/84/00/75/643840075.db2.gz	BTHSHMJJGLCYKM-LLVKDONJSA-N	0	1	238.312	0.861	20	30		BCEDMN
C#CCN1CCC(NC(=O)NCCC#CC)CC1	ZINC000922040104	643851991	/nfs/dbraw/zinc/85/19/91/643851991.db2.gz	BKYQQUKCMLFQRC-UHFFFAOYSA-N	0	1	247.342	0.797	20	30		BCEDMN
C=CC[N@H+](CCn1cccn1)CC(=O)[O-]	ZINC000086138631	643924490	/nfs/dbraw/zinc/92/44/90/643924490.db2.gz	GSSDXMJMEJZJJD-UHFFFAOYSA-N	0	1	209.249	0.456	20	30		BCEDMN
C[C@H](O)[C@H](O)CNCc1csc(C#N)c1	ZINC000922308565	643965452	/nfs/dbraw/zinc/96/54/52/643965452.db2.gz	FEWCVWLNROCKBB-OIBJUYFYSA-N	0	1	226.301	0.451	20	30		BCEDMN
C#CCNCC(=O)NCc1ccsc1	ZINC000086157318	643935114	/nfs/dbraw/zinc/93/51/14/643935114.db2.gz	FKQVDWPMFGAVJC-UHFFFAOYSA-N	0	1	208.286	0.587	20	30		BCEDMN
N#Cc1cc(CN[C@@H]2COCC[C@H]2O)cs1	ZINC000922307692	643965265	/nfs/dbraw/zinc/96/52/65/643965265.db2.gz	IYPBFRRKIYYXKV-GHMZBOCLSA-N	0	1	238.312	0.859	20	30		BCEDMN
C#CCN1CCC(NC(=O)N[C@@H]2C[C@H]2C)CC1	ZINC000922397136	643987324	/nfs/dbraw/zinc/98/73/24/643987324.db2.gz	LZWGEMOICOZOPO-ZYHUDNBSSA-N	0	1	235.331	0.792	20	30		BCEDMN
C=C(C)CCNC(=O)NC[C@@H]1CCN1C	ZINC000922706248	644071179	/nfs/dbraw/zinc/07/11/79/644071179.db2.gz	UDWZMOKFGKYUPZ-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C#CCN1CCC(N(C)C(=O)c2ccon2)CC1	ZINC001005137762	644172779	/nfs/dbraw/zinc/17/27/79/644172779.db2.gz	UNGFPECMOPBBHX-UHFFFAOYSA-N	0	1	247.298	0.844	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NC[C@@H]1CCN1C	ZINC000923086902	644264053	/nfs/dbraw/zinc/26/40/53/644264053.db2.gz	RCUZDAKKAMOXBQ-BDAKNGLRSA-N	0	1	213.281	0.496	20	30		BCEDMN
C#CCN1CCC(NC(=O)NC/C=C\C)CC1	ZINC000923453625	644442357	/nfs/dbraw/zinc/44/23/57/644442357.db2.gz	BRFCTRWYVDQJNV-HYXAFXHYSA-N	0	1	235.331	0.959	20	30		BCEDMN
COc1ccc(CN[C@H](C)C(N)=O)cc1C#N	ZINC000087822974	644503188	/nfs/dbraw/zinc/50/31/88/644503188.db2.gz	LMVVHFSXKKEUQP-MRVPVSSYSA-N	0	1	233.271	0.530	20	30		BCEDMN
CO[C@@H](C)CC(=O)NC1(C#N)CCN(C)CC1	ZINC000749733315	644593895	/nfs/dbraw/zinc/59/38/95/644593895.db2.gz	NNNANABGKHDWEM-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2	ZINC000759834365	644644753	/nfs/dbraw/zinc/64/47/53/644644753.db2.gz	PFGJTSULOXPDCB-HTQZYQBOSA-N	0	1	206.245	0.631	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccccc2O)N1	ZINC000779797981	644715813	/nfs/dbraw/zinc/71/58/13/644715813.db2.gz	MCQADBVDLXBPMG-MRVPVSSYSA-N	0	1	218.260	0.663	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnc3ncccn23)N1	ZINC000779798824	644717862	/nfs/dbraw/zinc/71/78/62/644717862.db2.gz	QGVLHRUZVMRJQB-MRVPVSSYSA-N	0	1	243.274	0.001	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000785369174	644768777	/nfs/dbraw/zinc/76/87/77/644768777.db2.gz	UWDGSQMLKLJFCO-BDAKNGLRSA-N	0	1	249.270	0.911	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1	ZINC000958301900	644786592	/nfs/dbraw/zinc/78/65/92/644786592.db2.gz	OUFJIUNULWEWTC-GDNZZTSVSA-N	0	1	244.298	0.093	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)c1	ZINC000958666833	644818520	/nfs/dbraw/zinc/81/85/20/644818520.db2.gz	AVPOHJQTJMYVBG-ITGUQSILSA-N	0	1	244.294	0.881	20	30		BCEDMN
COCCN1CCN(CCO[C@@H](C)C#N)CC1	ZINC000801912535	644846097	/nfs/dbraw/zinc/84/60/97/644846097.db2.gz	VPWTXVVZIIZKRT-LBPRGKRZSA-N	0	1	241.335	0.179	20	30		BCEDMN
C[C@@H](C#N)OCCSc1nc(N)cc(N)n1	ZINC000304257673	644881699	/nfs/dbraw/zinc/88/16/99/644881699.db2.gz	SMAKDTRBAXKNOZ-LURJTMIESA-N	0	1	239.304	0.662	20	30		BCEDMN
N#CCCNC[C@H](O)COCc1ccco1	ZINC000819269939	645009819	/nfs/dbraw/zinc/00/98/19/645009819.db2.gz	QZGZNZHWPWDUDV-JTQLQIEISA-N	0	1	224.260	0.660	20	30		BCEDMN
C=CC[C@H](C)NC(=O)C1=NC(=O)N(C)C1	ZINC000828041239	645091550	/nfs/dbraw/zinc/09/15/50/645091550.db2.gz	VHVHLNLYJAEQAT-ZETCQYMHSA-N	0	1	209.249	0.820	20	30		BCEDMN
C#CC1CCN(CC(=O)NCC2CC2)CC1	ZINC000830316163	645119044	/nfs/dbraw/zinc/11/90/44/645119044.db2.gz	GYQJVMYFESWXHU-UHFFFAOYSA-N	0	1	220.316	0.858	20	30		BCEDMN
CCc1ccnc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834484585	645143617	/nfs/dbraw/zinc/14/36/17/645143617.db2.gz	KRPUBDQQUXMFKK-JQWIXIFHSA-N	0	1	244.298	0.485	20	30		BCEDMN
C[C@@H](CN(C)C(=O)C#CC(C)(C)C)c1nn[nH]n1	ZINC000837528910	645201741	/nfs/dbraw/zinc/20/17/41/645201741.db2.gz	KXIGOYVNQYPRGZ-VIFPVBQESA-N	0	1	249.318	0.811	20	30		BCEDMN
CC(C)CNC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000841506942	645216776	/nfs/dbraw/zinc/21/67/76/645216776.db2.gz	MJHDNCMUPMFXRT-BDAKNGLRSA-N	0	1	210.281	0.053	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2CO[C@@H](C)[C@@H]2C)nn1	ZINC000926611441	645314563	/nfs/dbraw/zinc/31/45/63/645314563.db2.gz	MIXXNVBNGIAIDI-JBLDHEPKSA-N	0	1	236.319	0.977	20	30		BCEDMN
C#CCN1CCC[C@@H](N[C@@H](C)c2cnn(C)n2)C1	ZINC000926868159	645464984	/nfs/dbraw/zinc/46/49/84/645464984.db2.gz	ODSBVYPUYRBNKF-NWDGAFQWSA-N	0	1	247.346	0.563	20	30		BCEDMN
C#CCN1CCC[C@H](N[C@@H](C)c2cnn(C)n2)C1	ZINC000926868160	645466661	/nfs/dbraw/zinc/46/66/61/645466661.db2.gz	ODSBVYPUYRBNKF-RYUDHWBXSA-N	0	1	247.346	0.563	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1n[nH]c(C)n1)C(C)(C)C	ZINC000854479218	645507268	/nfs/dbraw/zinc/50/72/68/645507268.db2.gz	GYTYDCQZQQAXNJ-VIFPVBQESA-N	0	1	234.303	0.820	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)[C@@H]1CCCN1C	ZINC000863799831	645706145	/nfs/dbraw/zinc/70/61/45/645706145.db2.gz	RGSPFJHSCNCYID-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2C[C@H]2C)CC1	ZINC000928652535	645852269	/nfs/dbraw/zinc/85/22/69/645852269.db2.gz	BHIPOMNIDNXMTM-ZYHUDNBSSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](O)C(C)C)CC1	ZINC000928653684	645852283	/nfs/dbraw/zinc/85/22/83/645852283.db2.gz	WMRKYRZTVVBNHU-LBPRGKRZSA-N	0	1	238.331	0.217	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1	ZINC000928648854	645853389	/nfs/dbraw/zinc/85/33/89/645853389.db2.gz	SKJINJPFMOQHMG-ITGUQSILSA-N	0	1	248.326	0.093	20	30		BCEDMN
C[C@H](NCC(=O)NCCC#N)c1cccnc1	ZINC000035125520	645956384	/nfs/dbraw/zinc/95/63/84/645956384.db2.gz	PPJJOZHKIFIDSS-JTQLQIEISA-N	0	1	232.287	0.762	20	30		BCEDMN
C=CCC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC000924429393	646035981	/nfs/dbraw/zinc/03/59/81/646035981.db2.gz	ZJRDMVJXXABPTL-UHFFFAOYSA-N	0	1	249.314	0.882	20	30		BCEDMN
C[C@@](CO)(NC[C@H](O)CC#N)c1ccccc1	ZINC000929604274	646195928	/nfs/dbraw/zinc/19/59/28/646195928.db2.gz	SZLSSPIVTZOYHE-OLZOCXBDSA-N	0	1	234.299	0.758	20	30		BCEDMN
CC#CCN(C)C(=O)NC[C@H]1CCN1C	ZINC000925423731	646275471	/nfs/dbraw/zinc/27/54/71/646275471.db2.gz	IMGFPOFFVKTIGA-SNVBAGLBSA-N	0	1	209.293	0.355	20	30		BCEDMN
C#CCSCCN[C@@H](C)c1cnn(C)n1	ZINC000925453123	646284153	/nfs/dbraw/zinc/28/41/53/646284153.db2.gz	GYKPBABOQSTNDU-VIFPVBQESA-N	0	1	224.333	0.832	20	30		BCEDMN
CN(C)CC#CCNC(=O)Nc1ccn(C)n1	ZINC000930074625	646422586	/nfs/dbraw/zinc/42/25/86/646422586.db2.gz	DETOGAIBENYZJU-UHFFFAOYSA-N	0	1	235.291	0.107	20	30		BCEDMN
COCCO[C@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000930115131	646439931	/nfs/dbraw/zinc/43/99/31/646439931.db2.gz	XMPZZXRPMDZRSI-NEPJUHHUSA-N	0	1	242.319	0.388	20	30		BCEDMN
C[C@@H]1[C@H](C)N(C)CC[N@H+]1C[C@H](O)CC#N	ZINC000930178420	646479503	/nfs/dbraw/zinc/47/95/03/646479503.db2.gz	YQPFAPMMMTXWDR-HBNTYKKESA-N	0	1	211.309	0.285	20	30		BCEDMN
COC[C@](C)(CO)NCc1cncc(C#N)c1	ZINC000721588302	711654114	/nfs/dbraw/zinc/65/41/14/711654114.db2.gz	YKJRSHFDLFYUND-LBPRGKRZSA-N	0	1	235.287	0.440	20	30		BCEDMN
CCc1noc(C)c1C(=O)NCC#CCN(C)C	ZINC000913515591	711823393	/nfs/dbraw/zinc/82/33/93/711823393.db2.gz	DKGKGGDYNQZALQ-UHFFFAOYSA-N	0	1	249.314	0.840	20	30		BCEDMN
CCn1cnc(C(=O)NCC#CCN(C)C)c1	ZINC000913524449	711823452	/nfs/dbraw/zinc/82/34/52/711823452.db2.gz	MXGPMRHESDRDJD-UHFFFAOYSA-N	0	1	234.303	0.198	20	30		BCEDMN
C[C@@H](O)[C@H]1CCCCN1CC(=O)NCCC#N	ZINC000708314139	712186357	/nfs/dbraw/zinc/18/63/57/712186357.db2.gz	ZEXHKKYWBYQICI-GHMZBOCLSA-N	0	1	239.319	0.252	20	30		BCEDMN
C#CCN(CC)C(=O)C1=NC(=O)N(C)C1	ZINC000708325894	712187176	/nfs/dbraw/zinc/18/71/76/712187176.db2.gz	PZYBKZIZHABPGJ-UHFFFAOYSA-N	0	1	207.233	0.221	20	30		BCEDMN
C[C@@H](O)[C@@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000708422526	712193792	/nfs/dbraw/zinc/19/37/92/712193792.db2.gz	GPVZATZANICCME-GHMZBOCLSA-N	0	1	239.319	0.109	20	30		BCEDMN
CC1(C#N)CCN(CCn2cnnn2)CC1	ZINC000711927461	712339159	/nfs/dbraw/zinc/33/91/59/712339159.db2.gz	BNGQBAZVKMGLMX-UHFFFAOYSA-N	0	1	220.280	0.299	20	30		BCEDMN
C=C(Cl)COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000379377992	712379832	/nfs/dbraw/zinc/37/98/32/712379832.db2.gz	ZQRCCINZMDOWEM-PHDIDXHHSA-N	0	1	205.597	0.947	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ccco1	ZINC000379425870	712384551	/nfs/dbraw/zinc/38/45/51/712384551.db2.gz	BYZRNRIXCUZFAK-HTQZYQBOSA-N	0	1	205.217	0.121	20	30		BCEDMN
CC[C@H](NN=C1CC[N@@H+](C)[C@@H](C)C1)C(=O)[O-]	ZINC000390210947	712388539	/nfs/dbraw/zinc/38/85/39/712388539.db2.gz	VCUAXTMNCPWWTQ-WPRPVWTQSA-N	0	1	227.308	0.909	20	30		BCEDMN
CCN1CC[C@@H]1CNc1ncncc1C#N	ZINC000712571660	712447468	/nfs/dbraw/zinc/44/74/68/712447468.db2.gz	YAWOHJQECZGPAT-SNVBAGLBSA-N	0	1	217.276	0.276	20	30		BCEDMN
C=CCOCCCNCc1cn(CC)nn1	ZINC000714875602	712502364	/nfs/dbraw/zinc/50/23/64/712502364.db2.gz	LFNUEBWVVKPRKO-UHFFFAOYSA-N	0	1	224.308	0.980	20	30		BCEDMN
C#CCC[N@H+](CCOC)CCN1CCOC1=O	ZINC000852751925	712612910	/nfs/dbraw/zinc/61/29/10/712612910.db2.gz	PEPQUZOMIJOCEB-UHFFFAOYSA-N	0	1	240.303	0.410	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@H]2CCCN2C2CC2)C1	ZINC000881940967	712635121	/nfs/dbraw/zinc/63/51/21/712635121.db2.gz	TVCSECKWJRKGQS-LLVKDONJSA-N	0	1	236.290	0.797	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1ccc(F)c(F)c1	ZINC000718137606	712747434	/nfs/dbraw/zinc/74/74/34/712747434.db2.gz	RQRMUFGBNYELTJ-SKDRFNHKSA-N	0	1	241.237	0.582	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)C2CC(OC)C2)C1	ZINC001014856738	710613055	/nfs/dbraw/zinc/61/30/55/710613055.db2.gz	PJDBJHYEUOVHDK-CXQJBGSLSA-N	0	1	238.331	0.788	20	30		BCEDMN
CCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1	ZINC000381497452	710646601	/nfs/dbraw/zinc/64/66/01/710646601.db2.gz	BNDHMSROTSRACP-DTWKUNHWSA-N	0	1	207.277	0.404	20	30		BCEDMN
CCC(C)(C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000381554768	710654396	/nfs/dbraw/zinc/65/43/96/710654396.db2.gz	OFPBPLWOLKBJCW-BDAKNGLRSA-N	0	1	209.293	0.650	20	30		BCEDMN
CCC(C)(C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000381554769	710655100	/nfs/dbraw/zinc/65/51/00/710655100.db2.gz	OFPBPLWOLKBJCW-DTWKUNHWSA-N	0	1	209.293	0.650	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cncn1C	ZINC001038475020	710689475	/nfs/dbraw/zinc/68/94/75/710689475.db2.gz	ALPOYELLCVTAAV-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C#C[C@H](N[C@@H](C)C(=O)N(C)C)[C@@H]1CCCO1	ZINC000393750006	710671947	/nfs/dbraw/zinc/67/19/47/710671947.db2.gz	BLHZXMFYQJRZQN-DCAQKATOSA-N	0	1	224.304	0.234	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ncn(C)n1	ZINC001038224026	710681375	/nfs/dbraw/zinc/68/13/75/710681375.db2.gz	FBTPXZRWTPLSJN-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cccnn1	ZINC001038844579	710711702	/nfs/dbraw/zinc/71/17/02/710711702.db2.gz	LTUNZXJBAANJDV-LLVKDONJSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1ccn(C)n1	ZINC001039019883	710717933	/nfs/dbraw/zinc/71/79/33/710717933.db2.gz	TYZKZNVLTCEYFR-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1[nH]cnc1C	ZINC001039086318	710720179	/nfs/dbraw/zinc/72/01/79/710720179.db2.gz	KOBOKANKKMIHHD-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1	ZINC001041144844	710763750	/nfs/dbraw/zinc/76/37/50/710763750.db2.gz	AUXGMMDJFPKAGH-OCCSQVGLSA-N	0	1	245.326	0.704	20	30		BCEDMN
C#CCN1CC[C@H]2CCN(C(=O)COC)C[C@H]21	ZINC001041871758	710771486	/nfs/dbraw/zinc/77/14/86/710771486.db2.gz	FTHQSQONCRFEDG-NWDGAFQWSA-N	0	1	236.315	0.189	20	30		BCEDMN
Cn1ncc(CN=Nc2cccnn2)c1N	ZINC000382098396	710776644	/nfs/dbraw/zinc/77/66/44/710776644.db2.gz	FLGDRWJKXZXJDT-UHFFFAOYSA-N	0	1	217.236	0.238	20	30		BCEDMN
C=CCCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1	ZINC001042564112	710792922	/nfs/dbraw/zinc/79/29/22/710792922.db2.gz	DFRDUSCAVYCUAT-UHFFFAOYSA-N	0	1	248.330	0.671	20	30		BCEDMN
C#CCN1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1	ZINC001043094641	710803033	/nfs/dbraw/zinc/80/30/33/710803033.db2.gz	ANMAIGJORVMWFJ-ZDUSSCGKSA-N	0	1	249.358	0.247	20	30		BCEDMN
C=C(C)CN1CC(N(C)C(=O)c2[nH]nnc2C)C1	ZINC001043506909	710807553	/nfs/dbraw/zinc/80/75/53/710807553.db2.gz	OXKKNUBNDQWHLH-UHFFFAOYSA-N	0	1	249.318	0.445	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2ccnn2C)C1	ZINC001046181733	710854189	/nfs/dbraw/zinc/85/41/89/710854189.db2.gz	AAMOHNFYVJRBSJ-CYBMUJFWSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cnnn2C)C1	ZINC001046284557	710858900	/nfs/dbraw/zinc/85/89/00/710858900.db2.gz	UIMVAWUNUPTVAS-LBPRGKRZSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@@H]2CC2(F)F)C1	ZINC001046299899	710859441	/nfs/dbraw/zinc/85/94/41/710859441.db2.gz	STIKHDYZCUGTBI-ONGXEEELSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1	ZINC001046540902	710861273	/nfs/dbraw/zinc/86/12/73/710861273.db2.gz	IZZBWDOBYVQRAM-WZRBSPASSA-N	0	1	220.316	0.856	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cnn(C)n2)C1	ZINC001046698059	710864643	/nfs/dbraw/zinc/86/46/43/710864643.db2.gz	BKDSCESHMULJEU-LBPRGKRZSA-N	0	1	249.318	0.195	20	30		BCEDMN
Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC#N)C2)n[nH]1	ZINC001054466572	710935327	/nfs/dbraw/zinc/93/53/27/710935327.db2.gz	MHEUTOOFHCZDFY-LDYMZIIASA-N	0	1	247.302	0.292	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCSC[C@H]1CO	ZINC000388593267	711062583	/nfs/dbraw/zinc/06/25/83/711062583.db2.gz	INFKNULCWFNGFF-VHSXEESVSA-N	0	1	230.333	0.325	20	30		BCEDMN
C[C@H](C#N)OCCN1CCSC[C@@H]1CO	ZINC000388593271	711062713	/nfs/dbraw/zinc/06/27/13/711062713.db2.gz	INFKNULCWFNGFF-ZJUUUORDSA-N	0	1	230.333	0.325	20	30		BCEDMN
C#CCNC(=O)CN1CCCOC(C)(C)C1	ZINC000390512251	711122973	/nfs/dbraw/zinc/12/29/73/711122973.db2.gz	BYOIUIYBHYKBRK-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCC1	ZINC000390755253	711132362	/nfs/dbraw/zinc/13/23/62/711132362.db2.gz	GXABJARWQQMHSB-DTWKUNHWSA-N	0	1	207.277	0.404	20	30		BCEDMN
CSC[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000390778929	711133616	/nfs/dbraw/zinc/13/36/16/711133616.db2.gz	HRPAZPWCQJCLTN-DJLDLDEBSA-N	0	1	227.333	0.213	20	30		BCEDMN
CC#CCN1C[C@@H](NC(C)=O)CC[C@H]1C	ZINC001071289787	711186409	/nfs/dbraw/zinc/18/64/09/711186409.db2.gz	XJJSFZFWYMTXKL-PWSUYJOCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=C(C)CN1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C	ZINC001071788708	711202514	/nfs/dbraw/zinc/20/25/14/711202514.db2.gz	JGZDMLQLGFAUQA-UWVGGRQHSA-N	0	1	239.319	0.017	20	30		BCEDMN
N#C[C@@H]1CCCN(CC[C@H]2CCNC2=O)C1	ZINC000395844264	711217235	/nfs/dbraw/zinc/21/72/35/711217235.db2.gz	JSIMEIZFVWVBFJ-WDEREUQCSA-N	0	1	221.304	0.748	20	30		BCEDMN
N#C[C@@H]1CCCN(CC[C@@H]2CCNC2=O)C1	ZINC000395844263	711217682	/nfs/dbraw/zinc/21/76/82/711217682.db2.gz	JSIMEIZFVWVBFJ-QWRGUYRKSA-N	0	1	221.304	0.748	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@H]3CC34CC4)C2)C1	ZINC001073012422	711430656	/nfs/dbraw/zinc/43/06/56/711430656.db2.gz	QGLYNVJYYOEZJJ-GFCCVEGCSA-N	0	1	244.338	0.954	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)C2CC(OC)C2)C1	ZINC001014856739	710612635	/nfs/dbraw/zinc/61/26/35/710612635.db2.gz	PJDBJHYEUOVHDK-MOENNCHZSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCCN1CC(N(C)C(=O)c2ccn[nH]2)C1	ZINC001042497917	710787623	/nfs/dbraw/zinc/78/76/23/710787623.db2.gz	YLIOPTUYJUGZKD-UHFFFAOYSA-N	0	1	234.303	0.742	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2ccn[nH]2)C1	ZINC001046163337	710852646	/nfs/dbraw/zinc/85/26/46/710852646.db2.gz	XTLIHYUGPCXLGX-LBPRGKRZSA-N	0	1	234.303	0.790	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)NCc1n[nH]c(C)n1	ZINC000392735441	711150257	/nfs/dbraw/zinc/15/02/57/711150257.db2.gz	VNWPMMHCGDTSEQ-JTQLQIEISA-N	0	1	221.264	0.669	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H](NC(=O)c2ncn[n-]2)CC[C@H]1C	ZINC001071908058	711208289	/nfs/dbraw/zinc/20/82/89/711208289.db2.gz	LLWLBQVHIQNXBI-ZJUUUORDSA-N	0	1	247.302	0.021	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3ccon3)C2)C1	ZINC001072511404	711378074	/nfs/dbraw/zinc/37/80/74/711378074.db2.gz	CZMXQBRZDVTBLI-UHFFFAOYSA-N	0	1	245.282	0.456	20	30		BCEDMN
C#CCN(C(=O)C1=NC(=O)N(C)C1)C(C)(C)C	ZINC000723024301	711494589	/nfs/dbraw/zinc/49/45/89/711494589.db2.gz	MAGYXHXLUJCRHD-UHFFFAOYSA-N	0	1	235.287	1.000	20	30		BCEDMN
C#CCN(CC)S(=O)(=O)c1ncc[nH]1	ZINC000308476820	711523732	/nfs/dbraw/zinc/52/37/32/711523732.db2.gz	JUNFKKQWOWXVSL-UHFFFAOYSA-N	0	1	213.262	0.054	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cnnn1C	ZINC001038221518	711539690	/nfs/dbraw/zinc/53/96/90/711539690.db2.gz	MPQYGNPULPUBNG-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
CC[C@@H](O)CNN=C(C)c1ccc(N)nc1	ZINC000382385618	711573237	/nfs/dbraw/zinc/57/32/37/711573237.db2.gz	KQPSWNWGWQVCQK-SNVBAGLBSA-N	0	1	222.292	0.579	20	30		BCEDMN
N#Cc1cncc(CN2CCC[C@@H]2CO)c1	ZINC000721543045	711620254	/nfs/dbraw/zinc/62/02/54/711620254.db2.gz	VZZDISNWXDSXHK-GFCCVEGCSA-N	0	1	217.272	0.910	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccncn2)C1	ZINC000972567383	711633215	/nfs/dbraw/zinc/63/32/15/711633215.db2.gz	GOTYQYOPTAADED-LLVKDONJSA-N	0	1	244.298	0.256	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1	ZINC001075475638	711649952	/nfs/dbraw/zinc/64/99/52/711649952.db2.gz	VODHAPOOQZVDQL-QWHCGFSZSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#C[C@H](NCC#CCOC)[C@@H]1CCCO1	ZINC000308950152	711653533	/nfs/dbraw/zinc/65/35/33/711653533.db2.gz	OUGCFKXRVXSLJB-RYUDHWBXSA-N	0	1	207.273	0.407	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1	ZINC001006881797	711655971	/nfs/dbraw/zinc/65/59/71/711655971.db2.gz	NQBORKCSDBOWMG-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](O)CC(C)(C)C1	ZINC000395313471	711693886	/nfs/dbraw/zinc/69/38/86/711693886.db2.gz	HUJCJVSNZDHBNI-LLVKDONJSA-N	0	1	238.331	0.219	20	30		BCEDMN
CC[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC	ZINC000125146235	711718680	/nfs/dbraw/zinc/71/86/80/711718680.db2.gz	QTZFZXNGBGGCPD-NXEZZACHSA-N	0	1	240.303	0.894	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1ncc[nH]1	ZINC001027872253	711739731	/nfs/dbraw/zinc/73/97/31/711739731.db2.gz	OBCMUMXAFNIMBZ-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1	ZINC001075590636	711747370	/nfs/dbraw/zinc/74/73/70/711747370.db2.gz	AJOSYKMPOQLUTB-GRYCIOLGSA-N	0	1	236.315	0.187	20	30		BCEDMN
C#CCN1CCCN(C(=O)c2cc(C)[nH]n2)CC1	ZINC000980773148	711748184	/nfs/dbraw/zinc/74/81/84/711748184.db2.gz	JTMMMGCMPFUSOL-UHFFFAOYSA-N	0	1	246.314	0.499	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cn(C)cn1	ZINC001038162542	711761022	/nfs/dbraw/zinc/76/10/22/711761022.db2.gz	SVRZDAAYQARAHY-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1	ZINC001075774756	711774341	/nfs/dbraw/zinc/77/43/41/711774341.db2.gz	PBFXKPPILDSYGI-UONOGXRCSA-N	0	1	242.322	0.566	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1ccc[nH]1	ZINC001038059408	711794952	/nfs/dbraw/zinc/79/49/52/711794952.db2.gz	ZXLRYCRAFYOYHK-NSHDSACASA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cnc(C)[nH]1	ZINC001038108840	711795462	/nfs/dbraw/zinc/79/54/62/711795462.db2.gz	FXYGTSSFFYTXEL-NSHDSACASA-N	0	1	246.314	0.546	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)cc1OC	ZINC000255985996	711796801	/nfs/dbraw/zinc/79/68/01/711796801.db2.gz	LQPMXOJJHQRTOU-UHFFFAOYSA-N	0	1	248.286	0.587	20	30		BCEDMN
C#CCCN1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1	ZINC001076824866	711809183	/nfs/dbraw/zinc/80/91/83/711809183.db2.gz	AIHJPXDFTAPVKN-CHWSQXEVSA-N	0	1	248.326	0.137	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1CC12CC2	ZINC000913523105	711823155	/nfs/dbraw/zinc/82/31/55/711823155.db2.gz	MELISSSXXSGMAZ-SNVBAGLBSA-N	0	1	206.289	0.468	20	30		BCEDMN
CCCn1nccc1C(=O)NCC#CCN(C)C	ZINC000913524364	711823277	/nfs/dbraw/zinc/82/32/77/711823277.db2.gz	KFXGRYBFYNKDBD-UHFFFAOYSA-N	0	1	248.330	0.588	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1	ZINC001046277404	711852505	/nfs/dbraw/zinc/85/25/05/711852505.db2.gz	HCKSTULPMKTDFL-GFCCVEGCSA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cn(C)nn2)C1	ZINC001046277405	711852521	/nfs/dbraw/zinc/85/25/21/711852521.db2.gz	HCKSTULPMKTDFL-LBPRGKRZSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C	ZINC001038590683	711890511	/nfs/dbraw/zinc/89/05/11/711890511.db2.gz	BELZZUKBBULJIP-IJLUTSLNSA-N	0	1	220.316	0.856	20	30		BCEDMN
CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1	ZINC001032364653	711914462	/nfs/dbraw/zinc/91/44/62/711914462.db2.gz	OIPFVGPNUDAJBK-RYUDHWBXSA-N	0	1	244.298	0.805	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1	ZINC001038090508	711958913	/nfs/dbraw/zinc/95/89/13/711958913.db2.gz	OQONBYCAXSFFKP-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnccn2)C1	ZINC001032878596	711965688	/nfs/dbraw/zinc/96/56/88/711965688.db2.gz	CCSCKWDLFQCFLG-NSHDSACASA-N	0	1	246.314	0.809	20	30		BCEDMN
CN(CC1(CC#N)CC1)[C@@H]1COC[C@H]1O	ZINC000708745093	711970685	/nfs/dbraw/zinc/97/06/85/711970685.db2.gz	DSYZKQDBISKLEL-NXEZZACHSA-N	0	1	210.277	0.372	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1	ZINC001033055649	711972855	/nfs/dbraw/zinc/97/28/55/711972855.db2.gz	ZPJCFAPMGWLAAH-SNVBAGLBSA-N	0	1	249.318	0.147	20	30		BCEDMN
C#CCNC(=O)CN1CC(C)(C)CC[C@H]1CO	ZINC000701637707	712026019	/nfs/dbraw/zinc/02/60/19/712026019.db2.gz	QGPLWBJDPHUHDN-NSHDSACASA-N	0	1	238.331	0.219	20	30		BCEDMN
N#Cc1ccccc1CN1C[C@H](CO)[C@H](CO)C1	ZINC000705368904	712130976	/nfs/dbraw/zinc/13/09/76/712130976.db2.gz	HPZRIBTVBXCXPW-OKILXGFUSA-N	0	1	246.310	0.591	20	30		BCEDMN
C#CCNCC(=O)N[C@](C)(CCC)C(=O)OC	ZINC000707364046	712169386	/nfs/dbraw/zinc/16/93/86/712169386.db2.gz	RIIPVJALWAFYNE-GFCCVEGCSA-N	0	1	240.303	0.057	20	30		BCEDMN
C[C@@H](O)[C@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000708422527	712193317	/nfs/dbraw/zinc/19/33/17/712193317.db2.gz	GPVZATZANICCME-MNOVXSKESA-N	0	1	239.319	0.109	20	30		BCEDMN
CCN(CC#N)C(=O)C1=NC(=O)N(C)C1	ZINC000708460573	712194715	/nfs/dbraw/zinc/19/47/15/712194715.db2.gz	QWPNNMCOCFMRMK-UHFFFAOYSA-N	0	1	208.221	0.111	20	30		BCEDMN
C=CCCS(=O)(=O)NCc1n[nH]c(C)n1	ZINC000710260525	712249417	/nfs/dbraw/zinc/24/94/17/712249417.db2.gz	FPSIVRXRGJYGQJ-UHFFFAOYSA-N	0	1	230.293	0.109	20	30		BCEDMN
C#CCCCS(=O)(=O)NCCN(C)C1CC1	ZINC000710257493	712249567	/nfs/dbraw/zinc/24/95/67/712249567.db2.gz	VYACPVHFQMWTMP-UHFFFAOYSA-N	0	1	244.360	0.413	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@]1(C)CNCCO1	ZINC000710710585	712254611	/nfs/dbraw/zinc/25/46/11/712254611.db2.gz	KDHWMSVQJOXWHY-VIFPVBQESA-N	0	1	218.684	0.234	20	30		BCEDMN
C#CCCS(=O)(=O)NCC1(N(C)C)CC1	ZINC000711015404	712275166	/nfs/dbraw/zinc/27/51/66/712275166.db2.gz	CJFCIHSYQLZFQZ-UHFFFAOYSA-N	0	1	230.333	0.023	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)NC[C@H]1CCN1C	ZINC000923487900	712334450	/nfs/dbraw/zinc/33/44/50/712334450.db2.gz	IQNXVRKSLZTWBO-GHMZBOCLSA-N	0	1	239.319	0.028	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1	ZINC001079670825	712350167	/nfs/dbraw/zinc/35/01/67/712350167.db2.gz	IOQAOOYOYRBDRQ-NXEZZACHSA-N	0	1	234.303	0.646	20	30		BCEDMN
CSCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000390819124	712427762	/nfs/dbraw/zinc/42/77/62/712427762.db2.gz	SIZPYVPHPQBPQW-IUCAKERBSA-N	0	1	227.333	0.357	20	30		BCEDMN
CN1CC[C@@H]1CNc1cc(C#N)cnn1	ZINC000712591794	712435584	/nfs/dbraw/zinc/43/55/84/712435584.db2.gz	NATWKDVEPJSXLU-SECBINFHSA-N	0	1	203.249	0.464	20	30		BCEDMN
Cc1cc(C#N)nc(NC[C@H]2CCN2C)n1	ZINC000712576597	712448353	/nfs/dbraw/zinc/44/83/53/712448353.db2.gz	AJOUVEBJSGHTTF-SNVBAGLBSA-N	0	1	217.276	0.773	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cn(CCC)nn1	ZINC000714466950	712490840	/nfs/dbraw/zinc/49/08/40/712490840.db2.gz	FFPWHHYPEFZFHU-JTQLQIEISA-N	0	1	224.308	0.715	20	30		BCEDMN
CC[C@@H](C#N)C(=O)NC12CCN(CC1)C2	ZINC000715507459	712524455	/nfs/dbraw/zinc/52/44/55/712524455.db2.gz	JGLKPEWNPJOGPL-VIFPVBQESA-N	0	1	207.277	0.501	20	30		BCEDMN
CC[C@H](C#N)C(=O)NC12CCN(CC1)C2	ZINC000715507457	712524732	/nfs/dbraw/zinc/52/47/32/712524732.db2.gz	JGLKPEWNPJOGPL-SECBINFHSA-N	0	1	207.277	0.501	20	30		BCEDMN
C#CCNC(=O)CN(C(C)C)[C@@H]1CCOC1	ZINC000812861205	712587016	/nfs/dbraw/zinc/58/70/16/712587016.db2.gz	KVKLLBJAPPTOLM-LLVKDONJSA-N	0	1	224.304	0.235	20	30		BCEDMN
Cc1c(F)cccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834483865	712598429	/nfs/dbraw/zinc/59/84/29/712598429.db2.gz	ARUVDVKSWJWUEG-SKDRFNHKSA-N	0	1	247.273	0.976	20	30		BCEDMN
C#CCCCCNS(=O)(=O)c1ncc[nH]1	ZINC000379941414	712634337	/nfs/dbraw/zinc/63/43/37/712634337.db2.gz	ZBPOSXBAPHGQDR-UHFFFAOYSA-N	0	1	227.289	0.492	20	30		BCEDMN
C=CCC1(O)CCN([C@@H](C)C(N)=O)CC1	ZINC000717406401	712655597	/nfs/dbraw/zinc/65/55/97/712655597.db2.gz	NOMFRTQXRUOSQR-VIFPVBQESA-N	0	1	212.293	0.263	20	30		BCEDMN
Cc1n[nH]cc1C(=O)NCC#CCN(C)C	ZINC000717580916	712661423	/nfs/dbraw/zinc/66/14/23/712661423.db2.gz	QYXSASUXJQQGJL-UHFFFAOYSA-N	0	1	220.276	0.013	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1cccc(O)c1	ZINC000717679894	712664259	/nfs/dbraw/zinc/66/42/59/712664259.db2.gz	OWGZMDJCHJTOBZ-UHFFFAOYSA-N	0	1	246.310	0.616	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1n[nH]c2ccccc21	ZINC000717770033	712674851	/nfs/dbraw/zinc/67/48/51/712674851.db2.gz	NPSBSJAXOPJEJO-VIFPVBQESA-N	0	1	243.266	0.677	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1ccc2[nH]nnc2c1	ZINC000717777005	712675616	/nfs/dbraw/zinc/67/56/16/712675616.db2.gz	WDOXJXYSBYDSSG-SECBINFHSA-N	0	1	244.254	0.072	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cncnc1	ZINC000717785743	712676987	/nfs/dbraw/zinc/67/69/87/712676987.db2.gz	FEIVLEZCMFXZQZ-LLVKDONJSA-N	0	1	205.261	0.341	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cccc(OC)n1	ZINC000717813691	712680548	/nfs/dbraw/zinc/68/05/48/712680548.db2.gz	MSGBPVBYOOGKCZ-NSHDSACASA-N	0	1	220.272	0.564	20	30		BCEDMN
CC#CC[C@H](CO)N[C@H](C)c1cnccn1	ZINC000717813189	712680891	/nfs/dbraw/zinc/68/08/91/712680891.db2.gz	HNZMVOPGQGVLDQ-GHMZBOCLSA-N	0	1	219.288	0.902	20	30		BCEDMN
N#C[C@@H]1CCCN(CCc2c[nH]nn2)C1	ZINC000932154915	712716069	/nfs/dbraw/zinc/71/60/69/712716069.db2.gz	RGVPMLNCQADYDW-VIFPVBQESA-N	0	1	205.265	0.583	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)Nc1ccnc(C#N)c1	ZINC000932158550	712716685	/nfs/dbraw/zinc/71/66/85/712716685.db2.gz	KUKYPKMGKIMDQI-NSHDSACASA-N	0	1	245.286	0.779	20	30		BCEDMN
C=CCCC(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000720609846	712858507	/nfs/dbraw/zinc/85/85/07/712858507.db2.gz	FOPUOEVTEPTKNT-UHFFFAOYSA-N	0	1	235.291	0.872	20	30		BCEDMN
CN1CCCC[C@H]1C(=O)N1CC[C@@](F)(C#N)C1	ZINC000602143254	349451783	/nfs/dbraw/zinc/45/17/83/349451783.db2.gz	RWUCEDKDBUPXSY-CMPLNLGQSA-N	0	1	239.294	0.935	20	30		BCEDMN
C#CCN(CC#CC)C(=O)c1cc[nH]n1	ZINC000490678563	490107100	/nfs/dbraw/zinc/10/71/00/490107100.db2.gz	OOHQICDBYDYBRH-UHFFFAOYSA-N	0	1	201.229	0.508	20	30		BCEDMN
C=C(C)CN1CCC(O)(C(=O)OCC)CC1	ZINC000081017396	398231793	/nfs/dbraw/zinc/23/17/93/398231793.db2.gz	QAKYHDVFAXHDTI-UHFFFAOYSA-N	0	1	227.304	0.953	20	30		BCEDMN
C#CCN(CC)C(=O)CCc1cnc[nH]1	ZINC000280527540	398235165	/nfs/dbraw/zinc/23/51/65/398235165.db2.gz	IERVWVMQFILRRB-UHFFFAOYSA-N	0	1	205.261	0.824	20	30		BCEDMN
N#CC1(C(=O)NCc2cnc[nH]2)CCC1	ZINC000093394821	136228324	/nfs/dbraw/zinc/22/83/24/136228324.db2.gz	ODOQSIFNGVDFTJ-UHFFFAOYSA-N	0	1	204.233	0.720	20	30		BCEDMN
C#C[C@H](NC(=O)c1cnn[nH]1)C(C)(C)C	ZINC000288328798	136228764	/nfs/dbraw/zinc/22/87/64/136228764.db2.gz	SHPNNIFWYCCMNG-QMMMGPOBSA-N	0	1	206.249	0.582	20	30		BCEDMN
CCC[C@@H](CN1CCN(CC#N)CC1)OC	ZINC000602455974	349553444	/nfs/dbraw/zinc/55/34/44/349553444.db2.gz	VCHSMPZGGSHYRU-LBPRGKRZSA-N	0	1	225.336	0.943	20	30		BCEDMN
CCN(CCO)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000346241950	136233931	/nfs/dbraw/zinc/23/39/31/136233931.db2.gz	OABYQGFDLBBEKT-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)[O-])C1=O	ZINC000650517721	398278925	/nfs/dbraw/zinc/27/89/25/398278925.db2.gz	VJRZRABVZIIGHZ-UWVGGRQHSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)[O-])C1=O	ZINC000650517721	398278929	/nfs/dbraw/zinc/27/89/29/398278929.db2.gz	VJRZRABVZIIGHZ-UWVGGRQHSA-N	0	1	240.303	0.568	20	30		BCEDMN
N#C[C@H]1CCC[C@@H](NCc2cn[nH]n2)C1	ZINC000600177036	342696549	/nfs/dbraw/zinc/69/65/49/342696549.db2.gz	LSZYVNGHKUPCLK-DTWKUNHWSA-N	0	1	205.265	0.977	20	30		BCEDMN
C[C@@H]1CN(C(=O)NCC(C)(C)C#N)CCN1	ZINC000335603135	136235509	/nfs/dbraw/zinc/23/55/09/136235509.db2.gz	BHMYRXMQKMSOBY-SECBINFHSA-N	0	1	224.308	0.539	20	30		BCEDMN
CO[C@@H](C)CN1CCCC[C@@H]1/C(N)=N/O	ZINC000167173184	361861878	/nfs/dbraw/zinc/86/18/78/361861878.db2.gz	XVPLKQYHJFIBBZ-DTWKUNHWSA-N	0	1	215.297	0.622	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CN(C)C1CCC1	ZINC000630006309	361890641	/nfs/dbraw/zinc/89/06/41/361890641.db2.gz	QJPGKYLPPLDSQL-NEPJUHHUSA-N	0	1	238.331	0.930	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@@H]1CCCn2nccc21	ZINC000634580813	342796264	/nfs/dbraw/zinc/79/62/64/342796264.db2.gz	KYMVBLBKJYLFQD-WDEREUQCSA-N	0	1	248.330	0.998	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N[C@@H]1CCCn2nccc21	ZINC000634580810	342796399	/nfs/dbraw/zinc/79/63/99/342796399.db2.gz	KYMVBLBKJYLFQD-GHMZBOCLSA-N	0	1	248.330	0.998	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@@H](C)C1	ZINC000388232398	539014603	/nfs/dbraw/zinc/01/46/03/539014603.db2.gz	YKLHWABBKIAEIT-RYUDHWBXSA-N	0	1	240.347	0.724	20	30		BCEDMN
Cc1[nH]ncc1CN1CCO[C@H](C#N)C1	ZINC000093136688	398308757	/nfs/dbraw/zinc/30/87/57/398308757.db2.gz	WPFRHZHDPLRTQI-SNVBAGLBSA-N	0	1	206.249	0.443	20	30		BCEDMN
C=CCNC(=O)CN1CCC(OCC)CC1	ZINC000059932093	342876879	/nfs/dbraw/zinc/87/68/79/342876879.db2.gz	VVVNWPJYQVNKLQ-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
Cc1nnc2n1C[C@H](CNC([O-])=[NH+]C1CC1)CC2	ZINC000329675656	136245958	/nfs/dbraw/zinc/24/59/58/136245958.db2.gz	VVCSMQGCVPGVME-VIFPVBQESA-N	0	1	249.318	0.815	20	30		BCEDMN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])NC1CC1)CC2	ZINC000329675656	136245959	/nfs/dbraw/zinc/24/59/59/136245959.db2.gz	VVCSMQGCVPGVME-VIFPVBQESA-N	0	1	249.318	0.815	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)C(C)(C)CO	ZINC000134846693	342901488	/nfs/dbraw/zinc/90/14/88/342901488.db2.gz	XBIYZOJYWKRQFY-UHFFFAOYSA-N	0	1	240.347	0.890	20	30		BCEDMN
CC#CCNC(=O)CN1CCC(C)CC1	ZINC000154516941	398338855	/nfs/dbraw/zinc/33/88/55/398338855.db2.gz	UBJZWQSRPQXATJ-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
N#Cc1cccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)n1	ZINC000602672960	349666725	/nfs/dbraw/zinc/66/67/25/349666725.db2.gz	SVWUPZGSTNWAKK-ITGUQSILSA-N	0	1	229.283	0.623	20	30		BCEDMN
C=C(C)CC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC	ZINC000351761971	136252775	/nfs/dbraw/zinc/25/27/75/136252775.db2.gz	PFBRIAPQJOETCC-LLVKDONJSA-N	0	1	246.376	0.966	20	30		BCEDMN
C#CCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000270570958	166181349	/nfs/dbraw/zinc/18/13/49/166181349.db2.gz	MZBZAZVLKRSXDH-MRVPVSSYSA-N	0	1	235.291	0.922	20	30		BCEDMN
C[C@@H]1CN(Cc2c[nH]nn2)C[C@@H](C)N1CC#N	ZINC000602854275	349787984	/nfs/dbraw/zinc/78/79/84/349787984.db2.gz	OCCWNQWAYDXLHW-NXEZZACHSA-N	0	1	234.307	0.223	20	30		BCEDMN
C=CCNC(=O)[C@H](C)n1cc([C@@H](C)NC)nn1	ZINC000640883316	362069316	/nfs/dbraw/zinc/06/93/16/362069316.db2.gz	FXXAIJILYKEGSY-BDAKNGLRSA-N	0	1	237.307	0.422	20	30		BCEDMN
C=CCN1CC[C@H](N(CC)[C@@H]2CCOC2)C1=O	ZINC000361595952	136268702	/nfs/dbraw/zinc/26/87/02/136268702.db2.gz	PZWIPEHKOUGYSO-NEPJUHHUSA-N	0	1	238.331	0.884	20	30		BCEDMN
CCOCC[N@@H+](C)CCOCCC#N	ZINC000339062613	136271259	/nfs/dbraw/zinc/27/12/59/136271259.db2.gz	GRNVZDHPJHDRMO-UHFFFAOYSA-N	0	1	200.282	0.885	20	30		BCEDMN
C=CCCCS(=O)(=O)NCc1cnc[nH]1	ZINC000625301719	343227824	/nfs/dbraw/zinc/22/78/24/343227824.db2.gz	XBQGZVNYMFGREF-UHFFFAOYSA-N	0	1	229.305	0.795	20	30		BCEDMN
C=CCOCCn1cc([C@H](C)NC)nn1	ZINC000641030201	362144138	/nfs/dbraw/zinc/14/41/38/362144138.db2.gz	UHKXKDAXHDNSSN-VIFPVBQESA-N	0	1	210.281	0.761	20	30		BCEDMN
N#CCCCCN1CCN(c2nc[nH]n2)CC1	ZINC000602871291	349802795	/nfs/dbraw/zinc/80/27/95/349802795.db2.gz	QDRCGWHLNDQOOG-UHFFFAOYSA-N	0	1	234.307	0.621	20	30		BCEDMN
OC[C@H]1CC[C@H](CO)N1CC#Cc1ccccc1	ZINC000287549040	136287814	/nfs/dbraw/zinc/28/78/14/136287814.db2.gz	WHUHWASQWJPOIX-HUUCEWRRSA-N	0	1	245.322	0.856	20	30		BCEDMN
CO/N=C/C(=O)N1CCCC[C@H]1c1nnc[nH]1	ZINC000296462779	136290656	/nfs/dbraw/zinc/29/06/56/136290656.db2.gz	PPRLQWCATCHLFS-UVDXRHSJSA-N	0	1	237.263	0.491	20	30		BCEDMN
CCN(CCC#N)C(=O)CN[C@@H](C)c1cn[nH]c1	ZINC000275148949	136285564	/nfs/dbraw/zinc/28/55/64/136285564.db2.gz	GECGKJPCENQIQT-JTQLQIEISA-N	0	1	249.318	0.822	20	30		BCEDMN
C[C@@H](CC#N)NC[C@H](O)CC1(O)CCC1	ZINC000602871733	349803362	/nfs/dbraw/zinc/80/33/62/349803362.db2.gz	VKTSJIDIMYTIDN-VHSXEESVSA-N	0	1	212.293	0.544	20	30		BCEDMN
C=CCOCCCN(C)CC(=O)NC1CC1	ZINC000347958843	136293493	/nfs/dbraw/zinc/29/34/93/136293493.db2.gz	CTDLEIIGYBBTOI-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCC#N	ZINC000075021564	343359995	/nfs/dbraw/zinc/35/99/95/343359995.db2.gz	FROQNYQQSREYNW-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCCC(=O)NC1(C#N)CCN(C)CC1	ZINC000040221760	343398622	/nfs/dbraw/zinc/39/86/22/343398622.db2.gz	ZWWXVCAMEVDTBC-UHFFFAOYSA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN(C)CC[C@@H]1C	ZINC000335692198	136325955	/nfs/dbraw/zinc/32/59/55/136325955.db2.gz	CXTBIDRQCWMBKH-NSHDSACASA-N	0	1	246.376	0.918	20	30		BCEDMN
N#CCCCCN1CCO[C@H](Cn2ccnn2)C1	ZINC000602910370	349807700	/nfs/dbraw/zinc/80/77/00/349807700.db2.gz	XMDPQFPJLRQXMP-LBPRGKRZSA-N	0	1	249.318	0.673	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NC1(C#N)CCC1	ZINC000335723992	136346631	/nfs/dbraw/zinc/34/66/31/136346631.db2.gz	GDPBWWSXVVWHGI-VIFPVBQESA-N	0	1	207.277	0.643	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc(C(C)(C)NC)nn1	ZINC000641084914	362207275	/nfs/dbraw/zinc/20/72/75/362207275.db2.gz	VPLZAAHEDCPHCZ-VIFPVBQESA-N	0	1	224.308	0.842	20	30		BCEDMN
C=C(C)[C@@H](CO)n1cc(CNC2CC2)nn1	ZINC000641084773	362207361	/nfs/dbraw/zinc/20/73/61/362207361.db2.gz	RYALOVCOQNBHQA-LLVKDONJSA-N	0	1	222.292	0.640	20	30		BCEDMN
CCN(CC(=O)N(C)CCC#N)C1CC1	ZINC000034674459	136330421	/nfs/dbraw/zinc/33/04/21/136330421.db2.gz	XFOSPKDJIHBOTQ-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
C=CCN1CC[C@H](n2cc(CNCC)nn2)C1=O	ZINC000641108904	362227126	/nfs/dbraw/zinc/22/71/26/362227126.db2.gz	NRQORHFQOUKSSX-NSHDSACASA-N	0	1	249.318	0.347	20	30		BCEDMN
C[C@@H](O)C[N@H+]1CCN(CCCC#N)[C@H](C)C1	ZINC000189556716	136372144	/nfs/dbraw/zinc/37/21/44/136372144.db2.gz	VETYFPUCVFWGLS-VXGBXAGGSA-N	0	1	225.336	0.677	20	30		BCEDMN
C=C[C@H](CO)NCc1c[nH]c(C(=O)OC)c1	ZINC000289946496	136375409	/nfs/dbraw/zinc/37/54/09/136375409.db2.gz	UPWLBSWREBTUDU-SECBINFHSA-N	0	1	224.260	0.438	20	30		BCEDMN
C=C[C@@H](CO)N[C@@H]1CCCc2c1cnn2C	ZINC000289976038	136375656	/nfs/dbraw/zinc/37/56/56/136375656.db2.gz	XQSHSEJSPZUHJR-GXSJLCMTSA-N	0	1	221.304	0.934	20	30		BCEDMN
CO[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@](C)(CO)C1	ZINC000602964241	349827153	/nfs/dbraw/zinc/82/71/53/349827153.db2.gz	NQUOHTPDPJBAKG-WDEREUQCSA-N	0	1	224.304	0.762	20	30		BCEDMN
CO[C@@H]1CN(CC2(C#N)CC2)[C@@](C)(CO)C1	ZINC000602964241	349827156	/nfs/dbraw/zinc/82/71/56/349827156.db2.gz	NQUOHTPDPJBAKG-WDEREUQCSA-N	0	1	224.304	0.762	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN(CCC#N)CC1	ZINC000603015419	349857241	/nfs/dbraw/zinc/85/72/41/349857241.db2.gz	BJTFEMOKCBEVMU-GFCCVEGCSA-N	0	1	223.320	0.455	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(CC)[nH]1	ZINC000570482096	323060750	/nfs/dbraw/zinc/06/07/50/323060750.db2.gz	UNMNJNXQYYIOOI-BDAKNGLRSA-N	0	1	222.292	0.800	20	30		BCEDMN
C=C[C@H](C(=O)OC)n1cc(C(C)(C)NC)nn1	ZINC000603234342	349892251	/nfs/dbraw/zinc/89/22/51/349892251.db2.gz	KOZIQDHVMCZPMR-MRVPVSSYSA-N	0	1	238.291	0.633	20	30		BCEDMN
CNC(=O)CCN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000234364843	343954198	/nfs/dbraw/zinc/95/41/98/343954198.db2.gz	KLYZEICXROGIPT-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C=CC[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC000625702074	344052426	/nfs/dbraw/zinc/05/24/26/344052426.db2.gz	MVEZUZUHKBKHGD-QMMMGPOBSA-N	0	1	208.265	0.908	20	30		BCEDMN
C=CCN(C(=O)[C@H]1CNCCO1)C1CC1	ZINC000131293986	344230098	/nfs/dbraw/zinc/23/00/98/344230098.db2.gz	VRYZCJIWRBDFOT-SNVBAGLBSA-N	0	1	210.277	0.152	20	30		BCEDMN
COc1cc(CN[C@H](C)C(N)=O)ccc1C#N	ZINC000234854915	344393855	/nfs/dbraw/zinc/39/38/55/344393855.db2.gz	AENWXCJWDCRMOR-MRVPVSSYSA-N	0	1	233.271	0.530	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2ccnc(C#N)c2)C1	ZINC000259024477	344529458	/nfs/dbraw/zinc/52/94/58/344529458.db2.gz	OKBLYSMPBPPIHQ-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
C[C@H](CC(N)=O)NCc1ccc(C#N)o1	ZINC000135518060	344530034	/nfs/dbraw/zinc/53/00/34/344530034.db2.gz	JOJWMZJNOMWNLZ-SSDOTTSWSA-N	0	1	207.233	0.505	20	30		BCEDMN
C[N@H+]1CCC[C@H](NC(=O)c2cnccc2C#N)C1	ZINC000259186134	344550583	/nfs/dbraw/zinc/55/05/83/344550583.db2.gz	WJSGGCVSUCEMAR-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CN1CCC[C@H](NC(=O)c2cnccc2C#N)C1	ZINC000259186134	344550585	/nfs/dbraw/zinc/55/05/85/344550585.db2.gz	WJSGGCVSUCEMAR-NSHDSACASA-N	0	1	244.298	0.777	20	30		BCEDMN
CC[C@H](C#N)C(=O)N[C@@H]1CCCN(C)C1	ZINC000044824036	344551372	/nfs/dbraw/zinc/55/13/72/344551372.db2.gz	JEPNYOCMAZLNOY-NXEZZACHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@H](C#N)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000044828248	344551996	/nfs/dbraw/zinc/55/19/96/344551996.db2.gz	LZVGJDSJBMOZJK-BDAKNGLRSA-N	0	1	207.277	0.499	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1CN1CCOC[C@@H]1C#N	ZINC000260246273	344751452	/nfs/dbraw/zinc/75/14/52/344751452.db2.gz	WYYNSIHLHOPWGJ-MNOVXSKESA-N	0	1	209.293	0.305	20	30		BCEDMN
C[N@H+]1CCC[C@@H]1CN1CCO[C@H](C#N)C1	ZINC000259799926	344692396	/nfs/dbraw/zinc/69/23/96/344692396.db2.gz	URIYSHDODLRSGL-GHMZBOCLSA-N	0	1	209.293	0.305	20	30		BCEDMN
COCC#CCN1CCN(CCCF)CC1	ZINC000626070897	344715810	/nfs/dbraw/zinc/71/58/10/344715810.db2.gz	HDSUDEXGZAYABU-UHFFFAOYSA-N	0	1	228.311	0.613	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)N1CCC[C@H]1C	ZINC000076185762	344799669	/nfs/dbraw/zinc/79/96/69/344799669.db2.gz	PMFILMQFUGGBAW-CYBMUJFWSA-N	0	1	232.327	0.956	20	30		BCEDMN
C[C@H](O)CCN(C)[C@@H](C)C(=O)N(C)CCC#N	ZINC000075779433	344791867	/nfs/dbraw/zinc/79/18/67/344791867.db2.gz	KZGPQWZOYGWPQF-QWRGUYRKSA-N	0	1	241.335	0.450	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC2(C1)CCOCC2	ZINC000076157326	344798680	/nfs/dbraw/zinc/79/86/80/344798680.db2.gz	KVYMHFJKJALTFP-UHFFFAOYSA-N	0	1	238.331	0.791	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H](CO)OC[C@@H]1C	ZINC000153477447	344885246	/nfs/dbraw/zinc/88/52/46/344885246.db2.gz	DUJSWDPFERMVFC-TUAOUCFPSA-N	0	1	229.320	0.395	20	30		BCEDMN
CCOC[C@H](O)CNCC1(C#N)CCC1	ZINC000563008370	323079682	/nfs/dbraw/zinc/07/96/82/323079682.db2.gz	WRJQKLUTXREODH-SNVBAGLBSA-N	0	1	212.293	0.667	20	30		BCEDMN
C#C[C@H](CC)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000491627063	323081496	/nfs/dbraw/zinc/08/14/96/323081496.db2.gz	JPLWMWFRHMPLIE-ZCFIWIBFSA-N	0	1	222.204	0.460	20	30		BCEDMN
COC(=O)[C@H]1C[C@@H](NC[C@H](C#N)CCC#N)C1	ZINC000583436028	344952892	/nfs/dbraw/zinc/95/28/92/344952892.db2.gz	OQNBFBGBBCQZDY-GARJFASQSA-N	0	1	235.287	0.971	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000408260703	344962344	/nfs/dbraw/zinc/96/23/44/344962344.db2.gz	IGINCXKHIQSDNN-SNVBAGLBSA-N	0	1	249.274	0.152	20	30		BCEDMN
CN(C(=O)CSCC#N)[C@H]1CCCN(C)C1	ZINC000153790262	344977285	/nfs/dbraw/zinc/97/72/85/344977285.db2.gz	FMMHTBXKIHREMP-JTQLQIEISA-N	0	1	241.360	0.796	20	30		BCEDMN
C#CCN1CCC(NC(=O)C(C)C)CC1	ZINC000079873223	345047955	/nfs/dbraw/zinc/04/79/55/345047955.db2.gz	XPBMSIOPESQEQP-UHFFFAOYSA-N	0	1	208.305	0.856	20	30		BCEDMN
C[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH]cnc21	ZINC000408275007	345014849	/nfs/dbraw/zinc/01/48/49/345014849.db2.gz	RRFQXVLORRHBPE-HTQZYQBOSA-N	0	1	218.260	0.858	20	30		BCEDMN
C[C@H](C#N)NC(=O)CN(C)[C@@H]1CCSC1	ZINC000155062073	345065227	/nfs/dbraw/zinc/06/52/27/345065227.db2.gz	MADGDFIRVSOEAP-RKDXNWHRSA-N	0	1	227.333	0.452	20	30		BCEDMN
C=C(C)CN1CC[C@H](S(=O)(=O)NC)C1	ZINC000155890112	345104935	/nfs/dbraw/zinc/10/49/35/345104935.db2.gz	YMWLXDLKTMCIHZ-VIFPVBQESA-N	0	1	218.322	0.186	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)Cn1ccnc1CN	ZINC000600965871	345250237	/nfs/dbraw/zinc/25/02/37/345250237.db2.gz	CNRJPWWIAFDGAV-JTQLQIEISA-N	0	1	249.318	0.350	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@H]1CCCCN1C	ZINC000678800089	488284956	/nfs/dbraw/zinc/28/49/56/488284956.db2.gz	AUFOADIZAWXMGU-NWDGAFQWSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C(Cl)CN1CC[C@H](CC(N)=O)C1	ZINC000367988525	345220970	/nfs/dbraw/zinc/22/09/70/345220970.db2.gz	LIKVVKNMNPOJLJ-MRVPVSSYSA-N	0	1	202.685	0.936	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CCCc1nn[nH]n1	ZINC000635261514	345289971	/nfs/dbraw/zinc/28/99/71/345289971.db2.gz	CRKYJUGQWCVLCN-UHFFFAOYSA-N	0	1	237.307	0.947	20	30		BCEDMN
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C	ZINC000248356472	345365988	/nfs/dbraw/zinc/36/59/88/345365988.db2.gz	OIZYEJWNJNSLSF-UWVGGRQHSA-N	0	1	239.319	0.729	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ncn[nH]1	ZINC000562631279	345424253	/nfs/dbraw/zinc/42/42/53/345424253.db2.gz	CWRYGOXPFQVXIC-SFYZADRCSA-N	0	1	222.248	0.268	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1NC(=O)c1nc[nH]n1	ZINC000562631279	345424257	/nfs/dbraw/zinc/42/42/57/345424257.db2.gz	CWRYGOXPFQVXIC-SFYZADRCSA-N	0	1	222.248	0.268	20	30		BCEDMN
C=CCC[C@H](O)CN1CCOC[C@@H]1C[C@H](C)O	ZINC000248633190	345438530	/nfs/dbraw/zinc/43/85/30/345438530.db2.gz	SAKRWOMKZLNADX-AVGNSLFASA-N	0	1	243.347	0.785	20	30		BCEDMN
CC(C)(CCC#N)CNC(=O)c1cnn[nH]1	ZINC000359763794	535005643	/nfs/dbraw/zinc/00/56/43/535005643.db2.gz	JXCZLNXHQBITNY-UHFFFAOYSA-N	0	1	221.264	0.864	20	30		BCEDMN
CC[C@@H](CC#N)N[C@@H](C)COCC(=O)OC	ZINC000449243101	201846644	/nfs/dbraw/zinc/84/66/44/201846644.db2.gz	IFUHNXAGLHXGRF-UWVGGRQHSA-N	0	1	228.292	0.846	20	30		BCEDMN
C#C[C@H](NCN1CCC(=O)CC1)C(C)C	ZINC000289319452	166219225	/nfs/dbraw/zinc/21/92/25/166219225.db2.gz	FOLGRQDIFUPJKL-LBPRGKRZSA-N	0	1	208.305	0.856	20	30		BCEDMN
C[C@@H]1CSCCN(CC(=O)NCC#N)C1	ZINC000190428564	345977658	/nfs/dbraw/zinc/97/76/58/345977658.db2.gz	SSRUYGFZCZVFPR-VIFPVBQESA-N	0	1	227.333	0.311	20	30		BCEDMN
N#Cc1cc(C(=O)NCc2nn[nH]n2)ccc1F	ZINC000586779323	346100379	/nfs/dbraw/zinc/10/03/79/346100379.db2.gz	LBGDLZTYJLZHHJ-UHFFFAOYSA-N	0	1	246.205	0.140	20	30		BCEDMN
C=CC(C)(C)CNC(=O)CCCc1nn[nH]n1	ZINC000635986917	346139311	/nfs/dbraw/zinc/13/93/11/346139311.db2.gz	HURSQHWTUFTTST-UHFFFAOYSA-N	0	1	237.307	0.851	20	30		BCEDMN
C[C@@H](O)CN(CC#Cc1ccccc1)CCO	ZINC000289381082	346258793	/nfs/dbraw/zinc/25/87/93/346258793.db2.gz	CIADREMGNMUAOE-CYBMUJFWSA-N	0	1	233.311	0.713	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc(C)nc1	ZINC000641769675	362704508	/nfs/dbraw/zinc/70/45/08/362704508.db2.gz	XVEGGCYPQYYNLY-GFCCVEGCSA-N	0	1	219.288	0.649	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1ccc(CO)o1	ZINC000641769314	362704666	/nfs/dbraw/zinc/70/46/66/362704666.db2.gz	SMBVAMPGCASRIU-JTQLQIEISA-N	0	1	223.272	0.636	20	30		BCEDMN
C=CC[C@@H]1CCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000636251993	346369337	/nfs/dbraw/zinc/36/93/37/346369337.db2.gz	PXPZRBLUOUVGNU-SNVBAGLBSA-N	0	1	249.318	0.947	20	30		BCEDMN
CCc1nc(CNc2cncc(C#N)n2)n[nH]1	ZINC000401252205	346522813	/nfs/dbraw/zinc/52/28/13/346522813.db2.gz	CNFLJDOTLUOQSO-UHFFFAOYSA-N	0	1	229.247	0.641	20	30		BCEDMN
C#CCNC(=O)CCN1CCO[C@H]2CCC[C@H]21	ZINC000491122047	346587313	/nfs/dbraw/zinc/58/73/13/346587313.db2.gz	SXWNFICGSMOFTP-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1cncc(C#N)n1	ZINC000401350623	346635662	/nfs/dbraw/zinc/63/56/62/346635662.db2.gz	XIBNHIWBGSWYGQ-SECBINFHSA-N	0	1	217.276	0.489	20	30		BCEDMN
N#Cc1cccc(CNC[C@@H]2C[NH2+]CCO2)c1	ZINC000580649699	365845233	/nfs/dbraw/zinc/84/52/33/365845233.db2.gz	RMYOFAUCAMOKNM-ZDUSSCGKSA-N	0	1	231.299	0.636	20	30		BCEDMN
Cc1nc(CN2CC[C@@](F)(C#N)C2)n[nH]1	ZINC000589991894	346760392	/nfs/dbraw/zinc/76/03/92/346760392.db2.gz	CDUHOASDGXEBPQ-SECBINFHSA-N	0	1	209.228	0.551	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000590433388	347107644	/nfs/dbraw/zinc/10/76/44/347107644.db2.gz	KGVIEVBKMSGHAO-SFYZADRCSA-N	0	1	233.275	0.643	20	30		BCEDMN
CN(CCOCCC#N)Cc1cn[nH]c1	ZINC000590167270	346785734	/nfs/dbraw/zinc/78/57/34/346785734.db2.gz	IPJYKHDRGPDRKX-UHFFFAOYSA-N	0	1	208.265	0.772	20	30		BCEDMN
CCc1nc(CN2CCOC[C@@H]2C#N)n[nH]1	ZINC000184602588	347169611	/nfs/dbraw/zinc/16/96/11/347169611.db2.gz	QOCHGIALEZYHQP-QMMMGPOBSA-N	0	1	221.264	0.091	20	30		BCEDMN
C=CCCN(C)CC(=O)NC[C@@H]1CCCO1	ZINC000276382949	166257134	/nfs/dbraw/zinc/25/71/34/166257134.db2.gz	IIVGHUZNFOHPRZ-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000601368086	347272672	/nfs/dbraw/zinc/27/26/72/347272672.db2.gz	JWHYRSFLLHBQLF-VIFPVBQESA-N	0	1	247.302	0.888	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000601368086	347272677	/nfs/dbraw/zinc/27/26/77/347272677.db2.gz	JWHYRSFLLHBQLF-VIFPVBQESA-N	0	1	247.302	0.888	20	30		BCEDMN
Cc1[nH]nc(C(=O)N2CC(C#N)C2)c1[N+](=O)[O-]	ZINC000590488069	347381133	/nfs/dbraw/zinc/38/11/33/347381133.db2.gz	FDDHYMNGLFUBPE-UHFFFAOYSA-N	0	1	235.203	0.222	20	30		BCEDMN
C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ncc[nH]1	ZINC000601466160	347388962	/nfs/dbraw/zinc/38/89/62/347388962.db2.gz	ZRHZSTVFSXDRQA-SSDOTTSWSA-N	0	1	240.288	0.475	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCOCC1	ZINC000036679795	347433987	/nfs/dbraw/zinc/43/39/87/347433987.db2.gz	JSVHYPHTOBLHLN-NSHDSACASA-N	0	1	211.309	0.600	20	30		BCEDMN
Cn1cccc1CN1CC[C@](O)(CC#N)C1	ZINC000592523622	347794607	/nfs/dbraw/zinc/79/46/07/347794607.db2.gz	OWIZYLIIFIPYHT-GFCCVEGCSA-N	0	1	219.288	0.876	20	30		BCEDMN
C=CCNC(=O)CN(CCO)CC(C)(C)C	ZINC000592894948	347828887	/nfs/dbraw/zinc/82/88/87/347828887.db2.gz	BOABMZDWZZSUKH-UHFFFAOYSA-N	0	1	228.336	0.629	20	30		BCEDMN
N#CCCNC[C@@H](CO)Cc1ccco1	ZINC000592430793	347785611	/nfs/dbraw/zinc/78/56/11/347785611.db2.gz	GOHZMGRYHQOVID-JTQLQIEISA-N	0	1	208.261	0.934	20	30		BCEDMN
C[C@H](CCC#N)N[C@@H](CO)c1ccnn1C	ZINC000593033100	347842620	/nfs/dbraw/zinc/84/26/20/347842620.db2.gz	ILHZGXZKDOZNIY-ZJUUUORDSA-N	0	1	222.292	0.735	20	30		BCEDMN
C[C@@H](CCO)N(C)CC(=O)NC1(C#N)CCC1	ZINC000593108038	347859809	/nfs/dbraw/zinc/85/98/09/347859809.db2.gz	KWHFVUYJWZQHSZ-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
N#CC1(CNC(=O)CCc2nc[nH]n2)CCCC1	ZINC000593775211	347939769	/nfs/dbraw/zinc/93/97/69/347939769.db2.gz	KPTNZPHNKHIRFO-UHFFFAOYSA-N	0	1	247.302	0.937	20	30		BCEDMN
N#Cc1cc(N2CC(N3CC[C@@H](O)C3)C2)ccn1	ZINC000593503320	347907238	/nfs/dbraw/zinc/90/72/38/347907238.db2.gz	HLPHAPQUGWMXHK-CYBMUJFWSA-N	0	1	244.298	0.208	20	30		BCEDMN
CC[C@H](C#N)C(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000593600512	347919196	/nfs/dbraw/zinc/91/91/96/347919196.db2.gz	BERJALLVZSUDTN-HTQZYQBOSA-N	0	1	236.279	0.311	20	30		BCEDMN
CC[C@@H](C#N)C(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000593600528	347919227	/nfs/dbraw/zinc/91/92/27/347919227.db2.gz	BERJALLVZSUDTN-YUMQZZPRSA-N	0	1	236.279	0.311	20	30		BCEDMN
C[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1O	ZINC000593970619	347975264	/nfs/dbraw/zinc/97/52/64/347975264.db2.gz	YUDFWACNLXQQSP-SKDRFNHKSA-N	0	1	217.272	0.766	20	30		BCEDMN
COC(=O)[C@@H](CCF)NC(=O)C(C)C#N	ZINC000593800733	347948691	/nfs/dbraw/zinc/94/86/91/347948691.db2.gz	IVIQQOUIUYXZHT-RNFRBKRXSA-N	0	1	216.212	0.163	20	30		BCEDMN
CO[C@@](C)(CO)CNCc1ccc(C#N)o1	ZINC000594508530	348064709	/nfs/dbraw/zinc/06/47/09/348064709.db2.gz	CRVPPSCCJOWIIM-LLVKDONJSA-N	0	1	224.260	0.638	20	30		BCEDMN
CO[C@H](CN[C@H](C)CC#N)[C@@H]1CCOC1	ZINC000594710461	348104130	/nfs/dbraw/zinc/10/41/30/348104130.db2.gz	LGGHOBGSUXWEOR-GMTAPVOTSA-N	0	1	212.293	0.930	20	30		BCEDMN
CCOCC[C@H](O)CN1CC(CC#N)C1	ZINC000594716174	348106195	/nfs/dbraw/zinc/10/61/95/348106195.db2.gz	LACUMVRFHSGHGA-NSHDSACASA-N	0	1	212.293	0.619	20	30		BCEDMN
CN(CCC#N)C[C@@H](O)CN1CC(CC#N)C1	ZINC000594716865	348106321	/nfs/dbraw/zinc/10/63/21/348106321.db2.gz	YJBDEHYDCAKMOJ-GFCCVEGCSA-N	0	1	236.319	0.038	20	30		BCEDMN
C[C@@H](CC#N)NS(=O)(=O)c1ccccc1O	ZINC000594751855	348111760	/nfs/dbraw/zinc/11/17/60/348111760.db2.gz	DZWARZKKFMKAMI-QMMMGPOBSA-N	0	1	240.284	0.973	20	30		BCEDMN
N#CCCCn1cc(CNC2CC2)nn1	ZINC000594648897	348087628	/nfs/dbraw/zinc/08/76/28/348087628.db2.gz	FFAHGRYQTWZGBE-UHFFFAOYSA-N	0	1	205.265	0.834	20	30		BCEDMN
CNCc1cn(CC2(CC#N)CC2)nn1	ZINC000594651166	348089970	/nfs/dbraw/zinc/08/99/70/348089970.db2.gz	GKSDUBPLNFYKGJ-UHFFFAOYSA-N	0	1	205.265	0.691	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1=O	ZINC000594914565	348126963	/nfs/dbraw/zinc/12/69/63/348126963.db2.gz	XMEBHZHFFRUMON-BBBLOLIVSA-N	0	1	245.282	0.844	20	30		BCEDMN
CN(CCc1ccc(C#N)cc1)CC(N)=O	ZINC000595293909	348215309	/nfs/dbraw/zinc/21/53/09/348215309.db2.gz	CIYAHOWALRGJDN-UHFFFAOYSA-N	0	1	217.272	0.518	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)Cc1ccc(C#N)cn1	ZINC000595546856	348268025	/nfs/dbraw/zinc/26/80/25/348268025.db2.gz	JLROZTMWTZRATR-UHFFFAOYSA-N	0	1	245.242	0.674	20	30		BCEDMN
N#CC[C@@H]1CCCN(CCCS(N)(=O)=O)C1	ZINC000595613352	348288078	/nfs/dbraw/zinc/28/80/78/348288078.db2.gz	BMSROKUPQMCPJJ-JTQLQIEISA-N	0	1	245.348	0.291	20	30		BCEDMN
C[C@H](CO)[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000595670779	348309516	/nfs/dbraw/zinc/30/95/16/348309516.db2.gz	CTARGEQWBUKUSF-MNOVXSKESA-N	0	1	239.319	0.109	20	30		BCEDMN
N#CC1(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000595728164	348329580	/nfs/dbraw/zinc/32/95/80/348329580.db2.gz	KLHIPQPJKYTJIF-MNOVXSKESA-N	0	1	233.315	0.891	20	30		BCEDMN
CCc1nc([C@H](C)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000595315666	490159306	/nfs/dbraw/zinc/15/93/06/490159306.db2.gz	BGTSTLPPYRJSBS-IUCAKERBSA-N	0	1	235.291	0.652	20	30		BCEDMN
CN1CCN(CCOCCC#N)CCC1=O	ZINC000595774036	348338105	/nfs/dbraw/zinc/33/81/05/348338105.db2.gz	RQXWMKLJGUBRER-UHFFFAOYSA-N	0	1	225.292	0.081	20	30		BCEDMN
C=C[C@H](CO)NCC[S@](=O)c1ccccc1	ZINC000595864354	348384771	/nfs/dbraw/zinc/38/47/71/348384771.db2.gz	ZNIREICTXQZMGD-BZNIZROVSA-N	0	1	239.340	0.931	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(C)C[C@@H]1C(C)C	ZINC000669012575	490166102	/nfs/dbraw/zinc/16/61/02/490166102.db2.gz	GIOAAFWYVLRNLV-MNOVXSKESA-N	0	1	226.320	0.332	20	30		BCEDMN
COC(=O)[C@H]1C[C@H](NC[C@@H](C#N)CCC#N)C1	ZINC000596067629	348436940	/nfs/dbraw/zinc/43/69/40/348436940.db2.gz	OQNBFBGBBCQZDY-GMTAPVOTSA-N	0	1	235.287	0.971	20	30		BCEDMN
Cn1ncc(C#N)c1N1CCN(CC2CC2)CC1	ZINC000596089079	348443694	/nfs/dbraw/zinc/44/36/94/348443694.db2.gz	XBKQACNWLFRPQD-UHFFFAOYSA-N	0	1	245.330	0.824	20	30		BCEDMN
Cn1ncc(C#N)c1N1CC[C@H](N2CC=CC2)C1	ZINC000596140833	348449600	/nfs/dbraw/zinc/44/96/00/348449600.db2.gz	JAUMLOCGDOGSEG-LBPRGKRZSA-N	0	1	243.314	0.742	20	30		BCEDMN
Cn1ncc(C#N)c1NCCN1CC=CCC1	ZINC000596226682	348471282	/nfs/dbraw/zinc/47/12/82/348471282.db2.gz	XBAPMKSCGYFVRP-UHFFFAOYSA-N	0	1	231.303	0.966	20	30		BCEDMN
CN(CC1CN(C)C1)c1c(C#N)cnn1C	ZINC000596453407	348552130	/nfs/dbraw/zinc/55/21/30/348552130.db2.gz	LNCFWSMVIYAQGT-UHFFFAOYSA-N	0	1	219.292	0.290	20	30		BCEDMN
COCc1nc(CNc2cccc(C#N)n2)n[nH]1	ZINC000596435344	348546446	/nfs/dbraw/zinc/54/64/46/348546446.db2.gz	DCMZRDLNIFXMGR-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2cccc(C#N)n2)[nH]1	ZINC000596435344	348546449	/nfs/dbraw/zinc/54/64/49/348546449.db2.gz	DCMZRDLNIFXMGR-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nc(CNc2ccc(C#N)nc2)n[nH]1	ZINC000596436242	348547164	/nfs/dbraw/zinc/54/71/64/348547164.db2.gz	OCZPXQSROZHSLH-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2ccc(C#N)nc2)[nH]1	ZINC000596436242	348547168	/nfs/dbraw/zinc/54/71/68/348547168.db2.gz	OCZPXQSROZHSLH-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
N#CCCCNC(=O)NCCCc1nc[nH]n1	ZINC000596555232	348578046	/nfs/dbraw/zinc/57/80/46/348578046.db2.gz	PSKGPBYUNRJEGX-UHFFFAOYSA-N	0	1	236.279	0.340	20	30		BCEDMN
C=CCC[C@H](O)CN1CCC[C@@H]1C(=O)OC	ZINC000268664133	166303711	/nfs/dbraw/zinc/30/37/11/166303711.db2.gz	RVDYBVFJBBLASR-WDEREUQCSA-N	0	1	227.304	0.951	20	30		BCEDMN
CS(=O)(=O)CCCN[C@@H]1CCC[C@H]1C#N	ZINC000054825923	348665584	/nfs/dbraw/zinc/66/55/84/348665584.db2.gz	MVNPBILSMASSJT-VHSXEESVSA-N	0	1	230.333	0.703	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)[C@H](C)CC#N	ZINC000596736618	348614574	/nfs/dbraw/zinc/61/45/74/348614574.db2.gz	QOYILDLQIMEJDY-SSDOTTSWSA-N	0	1	206.249	0.884	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)C1(N(C)C)CC1	ZINC000596894750	348630539	/nfs/dbraw/zinc/63/05/39/348630539.db2.gz	PNUGNFAYQIGTPN-SECBINFHSA-N	0	1	209.293	0.699	20	30		BCEDMN
Cc1nc(CC(=O)N[C@@H](C#N)C(C)(C)C)n[nH]1	ZINC000597350029	348716122	/nfs/dbraw/zinc/71/61/22/348716122.db2.gz	FPHSRSLDBVQQRZ-QMMMGPOBSA-N	0	1	235.291	0.710	20	30		BCEDMN
C[C@H](C#N)CNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597201362	348675624	/nfs/dbraw/zinc/67/56/24/348675624.db2.gz	OLGUMDRIGVKYIK-SFYZADRCSA-N	0	1	233.275	0.500	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000597201363	348675630	/nfs/dbraw/zinc/67/56/30/348675630.db2.gz	OLGUMDRIGVKYIK-YUMQZZPRSA-N	0	1	233.275	0.500	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000597201361	348675820	/nfs/dbraw/zinc/67/58/20/348675820.db2.gz	OLGUMDRIGVKYIK-JGVFFNPUSA-N	0	1	233.275	0.500	20	30		BCEDMN
Cc1cc(CNC(=O)[C@H](C)CC#N)n[nH]1	ZINC000597230966	348698693	/nfs/dbraw/zinc/69/86/93/348698693.db2.gz	IGIBBNBONLLUTR-SSDOTTSWSA-N	0	1	206.249	0.884	20	30		BCEDMN
Cc1nc(CC(=O)NCC2(CC#N)CC2)n[nH]1	ZINC000597609887	348769622	/nfs/dbraw/zinc/76/96/22/348769622.db2.gz	FZKQMOJUGPBFGV-UHFFFAOYSA-N	0	1	233.275	0.466	20	30		BCEDMN
CN(C)C1(C(=O)NCC2(CC#N)CC2)CC1	ZINC000597610927	348769984	/nfs/dbraw/zinc/76/99/84/348769984.db2.gz	MTNGQPACGYKSFC-UHFFFAOYSA-N	0	1	221.304	0.891	20	30		BCEDMN
Cc1nc(CC(=O)N[C@]2(C#N)CC2(C)C)n[nH]1	ZINC000597672265	348783645	/nfs/dbraw/zinc/78/36/45/348783645.db2.gz	UJAGKWJMBNXQFU-NSHDSACASA-N	0	1	233.275	0.464	20	30		BCEDMN
CC[C@H](CC#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597507340	348746507	/nfs/dbraw/zinc/74/65/07/348746507.db2.gz	IUQAKKVBLQIRNH-MRVPVSSYSA-N	0	1	221.264	0.464	20	30		BCEDMN
N#C[C@H](CO)NC(=O)c1[nH]nc2c1CCCCC2	ZINC000597742548	348807807	/nfs/dbraw/zinc/80/78/07/348807807.db2.gz	NKWDWGVLVGLJBW-MRVPVSSYSA-N	0	1	248.286	0.293	20	30		BCEDMN
C=CCCSCCNC(=O)c1ncn[nH]1	ZINC000597969400	348855595	/nfs/dbraw/zinc/85/55/95/348855595.db2.gz	ZKLICHRFLSVLDB-UHFFFAOYSA-N	0	1	226.305	0.844	20	30		BCEDMN
C=CCCSCCNC(=O)c1nc[nH]n1	ZINC000597969400	348855600	/nfs/dbraw/zinc/85/56/00/348855600.db2.gz	ZKLICHRFLSVLDB-UHFFFAOYSA-N	0	1	226.305	0.844	20	30		BCEDMN
C=CCCSCCNC(=O)c1cnn[nH]1	ZINC000597971653	348857066	/nfs/dbraw/zinc/85/70/66/348857066.db2.gz	KXVKVTSRMPEDHV-UHFFFAOYSA-N	0	1	226.305	0.844	20	30		BCEDMN
C[C@H](C#N)N(C(=O)[C@H]1CCCN1C)C1CC1	ZINC000598128690	348894156	/nfs/dbraw/zinc/89/41/56/348894156.db2.gz	OGWNFDOBQVZSED-MWLCHTKSSA-N	0	1	221.304	0.984	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)c1ccnc(C#N)c1	ZINC000598162695	348897265	/nfs/dbraw/zinc/89/72/65/348897265.db2.gz	ZYHCQZVRXDLRPV-UHFFFAOYSA-N	0	1	244.298	0.587	20	30		BCEDMN
C=C(C)CN1CCCC[C@H]1CNS(C)(=O)=O	ZINC000051734601	348981529	/nfs/dbraw/zinc/98/15/29/348981529.db2.gz	FZNHYTARVOBFDN-NSHDSACASA-N	0	1	246.376	0.966	20	30		BCEDMN
CN(C)C(=O)CN(C)C[C@H](O)CC(C)(C)C#N	ZINC000598586263	348995929	/nfs/dbraw/zinc/99/59/29/348995929.db2.gz	GHRZKVGXRLAHAH-SNVBAGLBSA-N	0	1	241.335	0.307	20	30		BCEDMN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1C(N)=O	ZINC000598621884	349002971	/nfs/dbraw/zinc/00/29/71/349002971.db2.gz	YGSVRESMELNBIC-NXEZZACHSA-N	0	1	239.319	0.237	20	30		BCEDMN
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C#N)C1	ZINC000598414078	348968386	/nfs/dbraw/zinc/96/83/86/348968386.db2.gz	YDBONVZNABJEHU-CMPLNLGQSA-N	0	1	221.304	0.843	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CC[C@](C)(C#N)C1	ZINC000598414078	348968389	/nfs/dbraw/zinc/96/83/89/348968389.db2.gz	YDBONVZNABJEHU-CMPLNLGQSA-N	0	1	221.304	0.843	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CN1C[C@H](F)C[C@H]1CO	ZINC000598608598	349007221	/nfs/dbraw/zinc/00/72/21/349007221.db2.gz	UVUSPXXNSIAOIQ-VWYCJHECSA-N	0	1	244.310	0.692	20	30		BCEDMN
Cc1ccnc(NCCN2CC[C@H](O)C2)c1C#N	ZINC000599198930	349116521	/nfs/dbraw/zinc/11/65/21/349116521.db2.gz	BKVIPMIMWWOWOK-NSHDSACASA-N	0	1	246.314	0.740	20	30		BCEDMN
Cc1ccc(CN2C[C@H](CO)[C@H](O)C2)cc1C#N	ZINC000599438579	349177950	/nfs/dbraw/zinc/17/79/50/349177950.db2.gz	PCIZNAYLLVAATH-ZIAGYGMSSA-N	0	1	246.310	0.652	20	30		BCEDMN
N#CC1(CNC(=O)Cc2nnc[nH]2)CCC1	ZINC000601636684	349318338	/nfs/dbraw/zinc/31/83/38/349318338.db2.gz	NJGUJXBICHOHEA-UHFFFAOYSA-N	0	1	219.248	0.157	20	30		BCEDMN
N#CCCn1[nH]c([C@H]2CCOC2)cc1=O	ZINC000601932957	349385943	/nfs/dbraw/zinc/38/59/43/349385943.db2.gz	VQSBGCVYLUYVNM-QMMMGPOBSA-N	0	1	207.233	0.525	20	30		BCEDMN
COC(=O)Cc1c[nH]n(C[C@H](C)C#N)c1=O	ZINC000601932622	349386015	/nfs/dbraw/zinc/38/60/15/349386015.db2.gz	LGMINKJSJKXGJM-SFYZADRCSA-N	0	1	223.232	0.153	20	30		BCEDMN
CN(C(=O)CCCc1nn[nH]n1)C1(C#N)CCC1	ZINC000602080252	349430515	/nfs/dbraw/zinc/43/05/15/349430515.db2.gz	IZDYZBASJLIQHJ-UHFFFAOYSA-N	0	1	248.290	0.427	20	30		BCEDMN
CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000602081069	349431078	/nfs/dbraw/zinc/43/10/78/349431078.db2.gz	YKPLRDOBFUXOPJ-RKDXNWHRSA-N	0	1	218.260	0.885	20	30		BCEDMN
N#CCN1CCC(NCc2ccon2)CC1	ZINC000602003928	349411739	/nfs/dbraw/zinc/41/17/39/349411739.db2.gz	UPMYVDQHZNYEEG-UHFFFAOYSA-N	0	1	220.276	0.752	20	30		BCEDMN
Cc1nnc(NC(=O)c2c[nH]c(C#N)c2)[nH]1	ZINC000352401110	180013345	/nfs/dbraw/zinc/01/33/45/180013345.db2.gz	WIYPDPFWJLLMAR-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2c[nH]c(C#N)c2)n1	ZINC000352401110	180013348	/nfs/dbraw/zinc/01/33/48/180013348.db2.gz	WIYPDPFWJLLMAR-UHFFFAOYSA-N	0	1	216.204	0.565	20	30		BCEDMN
C=CCCCN1C[C@H](O)C[C@H]1C(=O)OC	ZINC000117881347	350229357	/nfs/dbraw/zinc/22/93/57/350229357.db2.gz	MWBVIJMVSRPZNI-ZJUUUORDSA-N	0	1	213.277	0.561	20	30		BCEDMN
CC(C)NC(=[NH2+])NCc1ncccc1[O-]	ZINC000262453393	535123548	/nfs/dbraw/zinc/12/35/48/535123548.db2.gz	KHVUSKFUAXWWMU-UHFFFAOYSA-N	0	1	208.265	0.600	20	30		BCEDMN
C[C@@H]1C[C@@H]1C(=O)NC1(C#N)CCN(C)CC1	ZINC000040221869	350358785	/nfs/dbraw/zinc/35/87/85/350358785.db2.gz	DZOCYAYMVYAYRZ-ZJUUUORDSA-N	0	1	221.304	0.747	20	30		BCEDMN
Cc1cn[nH]c1CN1CCN(C2CC2)[C@@H](C#N)C1	ZINC000365623018	350398214	/nfs/dbraw/zinc/39/82/14/350398214.db2.gz	WLSKTDLPBJAZFV-LBPRGKRZSA-N	0	1	245.330	0.890	20	30		BCEDMN
C=CCN(CCOC)CCn1cncn1	ZINC000336690729	350447209	/nfs/dbraw/zinc/44/72/09/350447209.db2.gz	JSSHURYLWPWCDQ-UHFFFAOYSA-N	0	1	210.281	0.413	20	30		BCEDMN
C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C)c1nnc[nH]1	ZINC000330261563	350490908	/nfs/dbraw/zinc/49/09/08/350490908.db2.gz	PEVDOTOAUAKWPL-BWZBUEFSSA-N	0	1	239.279	0.547	20	30		BCEDMN
CC#CCCN1CCN(Cc2ncc[nH]2)CC1	ZINC000336718467	350470370	/nfs/dbraw/zinc/47/03/70/350470370.db2.gz	HHOQBRVSPZEIQP-UHFFFAOYSA-N	0	1	232.331	0.941	20	30		BCEDMN
C#CCN1CCC(NC(=O)c2cnn(C)c2)CC1	ZINC000051905249	350869835	/nfs/dbraw/zinc/86/98/35/350869835.db2.gz	ZULHDYLHJBAWLR-UHFFFAOYSA-N	0	1	246.314	0.248	20	30		BCEDMN
CN(C)CC(=O)N1CCC[C@H](CC#N)C1	ZINC000397647670	350957055	/nfs/dbraw/zinc/95/70/55/350957055.db2.gz	SQCHKGVHTAZLHC-SNVBAGLBSA-N	0	1	209.293	0.700	20	30		BCEDMN
C#CCNCC(=O)NCc1ccccc1	ZINC000034937063	351351131	/nfs/dbraw/zinc/35/11/31/351351131.db2.gz	HWIVKNYMJUQBSG-UHFFFAOYSA-N	0	1	202.257	0.526	20	30		BCEDMN
C[N@H+]1CC[C@@]2(CCN(c3ncncc3C#N)C2)C1	ZINC000386697486	363030439	/nfs/dbraw/zinc/03/04/39/363030439.db2.gz	PEIZVCLMXIMRDE-CYBMUJFWSA-N	0	1	243.314	0.880	20	30		BCEDMN
C[C@H](N[C@@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N	ZINC000274142251	351561390	/nfs/dbraw/zinc/56/13/90/351561390.db2.gz	XKVBBMBSICFJNS-UWVGGRQHSA-N	0	1	249.318	0.821	20	30		BCEDMN
CNC(=O)N[C@H]1CCN([C@@H](C)CCC#N)C1	ZINC000577756924	366054627	/nfs/dbraw/zinc/05/46/27/366054627.db2.gz	CXDLQPXONUQGQG-UWVGGRQHSA-N	0	1	224.308	0.682	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1cnn(C)c1	ZINC000273417599	323636692	/nfs/dbraw/zinc/63/66/92/323636692.db2.gz	UVCPREIRHSFGQJ-UWVGGRQHSA-N	0	1	234.303	0.209	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	ZINC000281983290	351919463	/nfs/dbraw/zinc/91/94/63/351919463.db2.gz	MBXJWJNNQFEADI-UHFFFAOYSA-N	0	1	247.214	0.225	20	30		BCEDMN
N#CC1CCC(CNC(=O)c2ncn[nH]2)CC1	ZINC000282224603	351927083	/nfs/dbraw/zinc/92/70/83/351927083.db2.gz	IEXRHJQTYIUZLA-UHFFFAOYSA-N	0	1	233.275	0.864	20	30		BCEDMN
N#CC1CCC(CNC(=O)c2nc[nH]n2)CC1	ZINC000282224603	351927086	/nfs/dbraw/zinc/92/70/86/351927086.db2.gz	IEXRHJQTYIUZLA-UHFFFAOYSA-N	0	1	233.275	0.864	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@@]1(C)CNCCO1	ZINC000638010779	351887077	/nfs/dbraw/zinc/88/70/77/351887077.db2.gz	NKEFQQBWCXNARZ-GFCCVEGCSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)CN(CCNS(C)(=O)=O)C1CC1	ZINC000340216487	352066477	/nfs/dbraw/zinc/06/64/77/352066477.db2.gz	IKHGEUJDGWEFQZ-UHFFFAOYSA-N	0	1	232.349	0.576	20	30		BCEDMN
CC#CCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000613321625	363103648	/nfs/dbraw/zinc/10/36/48/363103648.db2.gz	WVSITTYIGQILAX-SECBINFHSA-N	0	1	232.287	0.754	20	30		BCEDMN
C=CCC[C@@H](O)CN(C)[C@H]1CCNC1=O	ZINC000340222156	352078238	/nfs/dbraw/zinc/07/82/38/352078238.db2.gz	NJJQIQYZHYDPQY-ZJUUUORDSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CCC[C@H]1O	ZINC000286486136	352091573	/nfs/dbraw/zinc/09/15/73/352091573.db2.gz	LOHGRQISMHDMRO-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
CNC(=O)[C@H]1CN(C[C@@H](C)CCC#N)CCO1	ZINC000618887731	352163094	/nfs/dbraw/zinc/16/30/94/352163094.db2.gz	JIIOGAMSKAFGTF-WDEREUQCSA-N	0	1	239.319	0.373	20	30		BCEDMN
CON=CC(=O)Nc1ncc(C(F)(F)F)[nH]1	ZINC000289699545	352195185	/nfs/dbraw/zinc/19/51/85/352195185.db2.gz	GAXHSCVSBKTUHY-KGVSQERTSA-N	0	1	236.153	0.999	20	30		BCEDMN
C=C(C)CCNC(=O)NC[C@H]1COCCN1	ZINC000627050101	363170350	/nfs/dbraw/zinc/17/03/50/363170350.db2.gz	BCTXJKXUSTXPOS-JTQLQIEISA-N	0	1	227.308	0.240	20	30		BCEDMN
C=C(C)CCNC(=O)NC[C@@H]1COCCN1	ZINC000627050102	363170428	/nfs/dbraw/zinc/17/04/28/363170428.db2.gz	BCTXJKXUSTXPOS-SNVBAGLBSA-N	0	1	227.308	0.240	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)[C@@H]2CNCCO2)C1	ZINC000638471276	352281458	/nfs/dbraw/zinc/28/14/58/352281458.db2.gz	AEFKVFOPXXLGFS-QWRGUYRKSA-N	0	1	224.304	0.399	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)C[C@@H]2COCCN2)C1	ZINC000638471296	352281531	/nfs/dbraw/zinc/28/15/31/352281531.db2.gz	AXBPLTDKMIEPSU-NWDGAFQWSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CC[N@H+](C)CCN(CC)Cc1n[nH]c(=O)[n-]1	ZINC000411645057	191203542	/nfs/dbraw/zinc/20/35/42/191203542.db2.gz	SDMXSHBDBFUCHG-UHFFFAOYSA-N	0	1	239.323	0.450	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCCN(C)CC1	ZINC000044813466	352428291	/nfs/dbraw/zinc/42/82/91/352428291.db2.gz	ZMQDSQRQMAWMAJ-SNVBAGLBSA-N	0	1	209.293	0.700	20	30		BCEDMN
C=CCC(CC=C)C(=O)NC[C@@H]1COCCN1	ZINC000638621850	352459773	/nfs/dbraw/zinc/45/97/73/352459773.db2.gz	ZFLQHSFJPKFOLI-GFCCVEGCSA-N	0	1	238.331	0.859	20	30		BCEDMN
C=CCC[C@H](O)CN1CCO[C@@H]([C@H](C)O)C1	ZINC000412071636	191250752	/nfs/dbraw/zinc/25/07/52/191250752.db2.gz	GNEUJXPHADTLJZ-SDDRHHMPSA-N	0	1	229.320	0.395	20	30		BCEDMN
C=CC[C@H](C)NS(=O)(=O)c1ncc[nH]1	ZINC000393668760	352984957	/nfs/dbraw/zinc/98/49/57/352984957.db2.gz	HCHMYVIDAWWWKD-ZETCQYMHSA-N	0	1	215.278	0.653	20	30		BCEDMN
C=CCNC(=O)CN1CCC(C)(OC)CC1	ZINC000271727578	166366397	/nfs/dbraw/zinc/36/63/97/166366397.db2.gz	MJJLHSXCAYMAHR-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCN(CC#C)CCCN(CC#C)CC#C	ZINC000174050970	188080112	/nfs/dbraw/zinc/08/01/12/188080112.db2.gz	FSXDMHGRPUREQF-UHFFFAOYSA-N	0	1	226.323	0.513	20	30		BCEDMN
CC#CCN1CC[C@@H](N2CCCC2=O)C1	ZINC000270960540	188090748	/nfs/dbraw/zinc/09/07/48/188090748.db2.gz	UZQWVHOWDMGKIB-LLVKDONJSA-N	0	1	206.289	0.706	20	30		BCEDMN
C#Cc1ccc(CN2CCNC(=O)CC2)cc1	ZINC000279093502	188095676	/nfs/dbraw/zinc/09/56/76/188095676.db2.gz	UPBLZJXHJVMOCN-UHFFFAOYSA-N	0	1	228.295	0.990	20	30		BCEDMN
N#CCc1cccc(C(=O)NCc2nn[nH]n2)c1	ZINC000609532021	353166036	/nfs/dbraw/zinc/16/60/36/353166036.db2.gz	DXFIWCVJEODKIL-UHFFFAOYSA-N	0	1	242.242	0.196	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@H](C)CN1CCOCC1	ZINC000330828874	353184096	/nfs/dbraw/zinc/18/40/96/353184096.db2.gz	TWTVGCARFGLLSY-GHMZBOCLSA-N	0	1	239.319	0.373	20	30		BCEDMN
N#CCN1CCN(C[C@H]2CCCO2)CC1	ZINC000049814636	188153705	/nfs/dbraw/zinc/15/37/05/188153705.db2.gz	NXBQAGNHPGIXSX-LLVKDONJSA-N	0	1	209.293	0.307	20	30		BCEDMN
CN(CCCO)C([O-])=[NH+]CCn1ccnc1	ZINC000331283792	353234749	/nfs/dbraw/zinc/23/47/49/353234749.db2.gz	WOIMAIXXNBSGQD-UHFFFAOYSA-N	0	1	226.280	0.111	20	30		BCEDMN
N#CCCNC(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000331160559	353223651	/nfs/dbraw/zinc/22/36/51/353223651.db2.gz	RBVTXZQXIFOKGB-VIFPVBQESA-N	0	1	233.275	0.684	20	30		BCEDMN
CCC(=O)CCCN1CC[C@@H](NC(=O)NC)C1	ZINC000331289784	353242422	/nfs/dbraw/zinc/24/24/22/353242422.db2.gz	AZUYZLGKEPQHJX-SNVBAGLBSA-N	0	1	241.335	0.953	20	30		BCEDMN
C=C(C)CN1CCC[C@H]1CS(N)(=O)=O	ZINC000074316218	353302745	/nfs/dbraw/zinc/30/27/45/353302745.db2.gz	CMUQDLCWAMLJPF-VIFPVBQESA-N	0	1	218.322	0.315	20	30		BCEDMN
C#CCCN1CC[NH+](CCn2ccnc2)CC1	ZINC000162486210	353322440	/nfs/dbraw/zinc/32/24/40/353322440.db2.gz	PLZVMYDPYKEZJM-UHFFFAOYSA-N	0	1	232.331	0.524	20	30		BCEDMN
CC#CCCN1CCCN(CC)C(=O)C1	ZINC000190209963	353388406	/nfs/dbraw/zinc/38/84/06/353388406.db2.gz	YTVWBIIIZHVOPD-UHFFFAOYSA-N	0	1	208.305	0.954	20	30		BCEDMN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn[nH]1	ZINC000281496311	353449348	/nfs/dbraw/zinc/44/93/48/353449348.db2.gz	QJCPGSPNRPWZSE-SCZZXKLOSA-N	0	1	236.275	0.516	20	30		BCEDMN
C=CCNC(=O)CN1[C@@H](C)CC(O)C[C@@H]1C	ZINC000191286976	353455289	/nfs/dbraw/zinc/45/52/89/353455289.db2.gz	QJPVUSMSSHUCMC-UWVGGRQHSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=CCN1CCc2c(ncn(CC)c2=O)C1	ZINC000281083336	353429255	/nfs/dbraw/zinc/42/92/55/353429255.db2.gz	USXGLFVCKFTNNB-UHFFFAOYSA-N	0	1	219.288	0.807	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@H](OC)C2)C1=O	ZINC000282090711	353462716	/nfs/dbraw/zinc/46/27/16/353462716.db2.gz	VEMBTZMUVGVJPA-QWRGUYRKSA-N	0	1	224.304	0.494	20	30		BCEDMN
C=CCN1CC[C@H](N2CCC[C@@H](O)C2)C1=O	ZINC000281910246	353468284	/nfs/dbraw/zinc/46/82/84/353468284.db2.gz	GKMJDKGAZIRLRG-MNOVXSKESA-N	0	1	224.304	0.230	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284286697	353510509	/nfs/dbraw/zinc/51/05/09/353510509.db2.gz	NQMRTUJREVJWDN-QMMMGPOBSA-N	0	1	207.233	0.176	20	30		BCEDMN
CC#CCC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1	ZINC000284442351	353513435	/nfs/dbraw/zinc/51/34/35/353513435.db2.gz	ANAMIRHOJPTFLI-ZDUSSCGKSA-N	0	1	248.330	0.518	20	30		BCEDMN
CC#CCCN1C[C@H](OC)C[C@H]1c1nnc[nH]1	ZINC000284529425	353514135	/nfs/dbraw/zinc/51/41/35/353514135.db2.gz	GKKSPFKGCWXWNM-MNOVXSKESA-N	0	1	234.303	0.980	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1cnn(C)c1C	ZINC000183354345	353541178	/nfs/dbraw/zinc/54/11/78/353541178.db2.gz	GARRJXBLBUGYCS-UWVGGRQHSA-N	0	1	248.330	0.517	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)OC	ZINC000285867141	353547257	/nfs/dbraw/zinc/54/72/57/353547257.db2.gz	XYWNDIVJZZPMOU-NXEZZACHSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCc1cn[nH]c1C	ZINC000287503718	353578035	/nfs/dbraw/zinc/57/80/35/353578035.db2.gz	LRIDCHBMEDPLRT-UHFFFAOYSA-N	0	1	229.283	0.997	20	30		BCEDMN
CSC[C@@H]1CCCN1CC(=O)NCC#N	ZINC000135477633	353560359	/nfs/dbraw/zinc/56/03/59/353560359.db2.gz	KXPUXPBUGYYWTB-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
C=CCN(CC=C)CCN1CCNC1=O	ZINC000289831527	353639955	/nfs/dbraw/zinc/63/99/55/353639955.db2.gz	AODOSJRJUXFMBH-UHFFFAOYSA-N	0	1	209.293	0.686	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CCOC	ZINC000289998545	353645706	/nfs/dbraw/zinc/64/57/06/353645706.db2.gz	CLRCYRLLNGCQMI-LBPRGKRZSA-N	0	1	244.335	0.008	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CCOCCOC	ZINC000288595339	353611447	/nfs/dbraw/zinc/61/14/47/353611447.db2.gz	DQGSBQSSDACNCL-LLVKDONJSA-N	0	1	244.335	0.272	20	30		BCEDMN
C=C[C@H](CO)NC(=O)CCCCc1cn[nH]n1	ZINC000290637616	353665441	/nfs/dbraw/zinc/66/54/41/353665441.db2.gz	PTCTXHNXGNYLKB-SECBINFHSA-N	0	1	238.291	0.181	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H]1CCCN1C1CC1	ZINC000290655545	353666154	/nfs/dbraw/zinc/66/61/54/353666154.db2.gz	RHQUIQRQRLEHID-KOLCDFICSA-N	0	1	224.304	0.276	20	30		BCEDMN
C#CCONC(=O)c1[nH]nc2c1CCCCC2	ZINC000291074803	353679029	/nfs/dbraw/zinc/67/90/29/353679029.db2.gz	MGXPOAJCAOBENO-UHFFFAOYSA-N	0	1	233.271	0.973	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@H+]1C1CC1	ZINC000291161909	353681426	/nfs/dbraw/zinc/68/14/26/353681426.db2.gz	CNDYTUHMIDQNAK-SNVBAGLBSA-N	0	1	208.261	0.294	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](n2cccn2)C1	ZINC000291708435	353697106	/nfs/dbraw/zinc/69/71/06/353697106.db2.gz	IKFZPKVBRHOAKD-VXGBXAGGSA-N	0	1	246.314	0.268	20	30		BCEDMN
C#CCCCCC(=O)Nc1nn[nH]c1C(N)=O	ZINC000291457194	353693458	/nfs/dbraw/zinc/69/34/58/353693458.db2.gz	MYYXVDWMGMUJFD-UHFFFAOYSA-N	0	1	235.247	0.036	20	30		BCEDMN
C=CCCCS(=O)(=O)N[C@H](C)c1nnc[nH]1	ZINC000292572591	353716278	/nfs/dbraw/zinc/71/62/78/353716278.db2.gz	LIYKALFMOODMDO-MRVPVSSYSA-N	0	1	244.320	0.751	20	30		BCEDMN
CC#CCN1CCC[C@H](n2cc(CO)nn2)C1	ZINC000292888209	353727896	/nfs/dbraw/zinc/72/78/96/353727896.db2.gz	FPBGJZHYAVJSDV-LBPRGKRZSA-N	0	1	234.303	0.431	20	30		BCEDMN
C=CCOCCN1CCC[C@@H]1C(=O)NC	ZINC000292947557	353730213	/nfs/dbraw/zinc/73/02/13/353730213.db2.gz	BIHFYXKZXNOQFQ-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
CCN(CCC(=O)NC(=O)NC)C[C@@H](C)C#N	ZINC000195435120	353755353	/nfs/dbraw/zinc/75/53/53/353755353.db2.gz	MUESKSOSXABPEG-VIFPVBQESA-N	0	1	240.307	0.314	20	30		BCEDMN
C#C[C@@H](NC(=O)N[C@@H](C)c1nnc[nH]1)C(C)C	ZINC000294196526	353771151	/nfs/dbraw/zinc/77/11/51/353771151.db2.gz	KXUODNUQXHBVHD-DTWKUNHWSA-N	0	1	235.291	0.823	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCCN(C)CC1	ZINC000294436101	353778252	/nfs/dbraw/zinc/77/82/52/353778252.db2.gz	RRMKUJOZKKPGOX-LLVKDONJSA-N	0	1	224.304	0.189	20	30		BCEDMN
CC#CC[N@@H+](C)C[C@@H](O)Cn1cccn1	ZINC000293035355	353736501	/nfs/dbraw/zinc/73/65/01/353736501.db2.gz	GPINYWAJDMSOTA-LLVKDONJSA-N	0	1	207.277	0.199	20	30		BCEDMN
C#CCCC[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000295140674	353801714	/nfs/dbraw/zinc/80/17/14/353801714.db2.gz	DTOSMJRWXUCKJY-SNVBAGLBSA-N	0	1	235.287	0.956	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)CC(C)(C)CO	ZINC000295125347	353801837	/nfs/dbraw/zinc/80/18/37/353801837.db2.gz	AGWGRELGLFGPGC-SNVBAGLBSA-N	0	1	228.336	0.627	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCCC[C@H]1OC	ZINC000295887558	353813451	/nfs/dbraw/zinc/81/34/51/353813451.db2.gz	CLFFQFVMQZSAPJ-NXEZZACHSA-N	0	1	211.261	0.873	20	30		BCEDMN
C#CCONC(=O)[C@@H]1CCCC[C@@H]1OC	ZINC000295887565	353813472	/nfs/dbraw/zinc/81/34/72/353813472.db2.gz	CLFFQFVMQZSAPJ-ZJUUUORDSA-N	0	1	211.261	0.873	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000296835770	353829218	/nfs/dbraw/zinc/82/92/18/353829218.db2.gz	LMDSJCLYDHWJCC-MXWKQRLJSA-N	0	1	223.320	0.742	20	30		BCEDMN
C#CCCCCNC(=O)NCc1n[nH]c(CC)n1	ZINC000297069013	353835707	/nfs/dbraw/zinc/83/57/07/353835707.db2.gz	AEUZGPAOZPCXTI-UHFFFAOYSA-N	0	1	249.318	0.970	20	30		BCEDMN
CC#CCN(C)C(=O)CN(CC)C1CC1	ZINC000294625332	353787223	/nfs/dbraw/zinc/78/72/23/353787223.db2.gz	RQTCRHREULSCSR-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@H](CO)CC(C)C	ZINC000185359848	353793984	/nfs/dbraw/zinc/79/39/84/353793984.db2.gz	NBJDXCOMHJAWOW-NSHDSACASA-N	0	1	228.336	0.627	20	30		BCEDMN
N#CC1(C(=O)N2CCNCC2)CCCC1	ZINC000044765645	181028025	/nfs/dbraw/zinc/02/80/25/181028025.db2.gz	MTHWAWOYWANQFL-UHFFFAOYSA-N	0	1	207.277	0.502	20	30		BCEDMN
CCOC(=O)[C@@H](CCOC)NC(=O)C(C)C#N	ZINC000343928636	354044854	/nfs/dbraw/zinc/04/48/54/354044854.db2.gz	CJWOZAHSKIYDOK-DTWKUNHWSA-N	0	1	242.275	0.230	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](OC)C1	ZINC000267620980	166388823	/nfs/dbraw/zinc/38/88/23/166388823.db2.gz	DPTWQLXBVTXHNM-UWVGGRQHSA-N	0	1	212.293	0.398	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](CO)C[C@@H]1C	ZINC000344120972	354144499	/nfs/dbraw/zinc/14/44/99/354144499.db2.gz	DHEJTHLSOUCFRH-WDEREUQCSA-N	0	1	226.320	0.381	20	30		BCEDMN
CCC[C@]1(CO)CCN(CC(=O)NCC#N)C1	ZINC000344235418	354186539	/nfs/dbraw/zinc/18/65/39/354186539.db2.gz	LCCZUTPKNZHCNV-LBPRGKRZSA-N	0	1	239.319	0.111	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(C(C)C)CC1	ZINC000301045168	363372916	/nfs/dbraw/zinc/37/29/16/363372916.db2.gz	NJCJJAWSGQZOOW-LLVKDONJSA-N	0	1	226.320	0.740	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1	ZINC000270623420	181104888	/nfs/dbraw/zinc/10/48/88/181104888.db2.gz	KHCNJYXBORRJJP-GFCCVEGCSA-N	0	1	244.298	0.801	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](C(N)=O)C2)o1	ZINC000157122589	181105147	/nfs/dbraw/zinc/10/51/47/181105147.db2.gz	WZVTWLCYBDCFHN-MRVPVSSYSA-N	0	1	219.244	0.458	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)o1	ZINC000368214248	181105168	/nfs/dbraw/zinc/10/51/68/181105168.db2.gz	FBTLWYNPHPBSFT-CABZTGNLSA-N	0	1	245.282	0.719	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)o1	ZINC000368214247	181105652	/nfs/dbraw/zinc/10/56/52/181105652.db2.gz	FBTLWYNPHPBSFT-BXKDBHETSA-N	0	1	245.282	0.719	20	30		BCEDMN
N#Cc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1	ZINC000236529606	181106137	/nfs/dbraw/zinc/10/61/37/181106137.db2.gz	YPKWOLMBDSTNNH-VXGBXAGGSA-N	0	1	218.256	0.096	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N[C@]1(C#N)CC1(C)C	ZINC000334630633	354373537	/nfs/dbraw/zinc/37/35/37/354373537.db2.gz	MNVBGUZOVLFGFR-CABZTGNLSA-N	0	1	221.304	0.889	20	30		BCEDMN
C=C(C)CN1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000334645859	354435631	/nfs/dbraw/zinc/43/56/31/354435631.db2.gz	OOSWUJHBTPZNRJ-UWVGGRQHSA-N	0	1	210.277	0.152	20	30		BCEDMN
N#Cc1ccc(NCc2nnc[nH]2)nc1	ZINC000037920081	181124712	/nfs/dbraw/zinc/12/47/12/181124712.db2.gz	VOLAIAXZGLYMRN-UHFFFAOYSA-N	0	1	200.205	0.683	20	30		BCEDMN
N#Cc1cccnc1NCc1nn[nH]n1	ZINC000044931656	181153270	/nfs/dbraw/zinc/15/32/70/181153270.db2.gz	UKUIAGAFSHHRJH-UHFFFAOYSA-N	0	1	201.193	0.078	20	30		BCEDMN
C=CCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000335163228	354917105	/nfs/dbraw/zinc/91/71/05/354917105.db2.gz	ILTSFVKMQMDYEN-QMMMGPOBSA-N	0	1	220.276	0.752	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCN2C(=O)CC[C@H]2C1	ZINC000346456371	354948740	/nfs/dbraw/zinc/94/87/40/354948740.db2.gz	OLRFKFFSPKTCDF-NWDGAFQWSA-N	0	1	238.331	0.620	20	30		BCEDMN
N#Cc1cscc1C(=O)NCCc1nc[nH]n1	ZINC000340807361	181166917	/nfs/dbraw/zinc/16/69/17/181166917.db2.gz	XQYBHPNZEJLBFS-UHFFFAOYSA-N	0	1	247.283	0.710	20	30		BCEDMN
CC(C)N(CCO)CC(=O)NC1(C#N)CCC1	ZINC000346818542	355124096	/nfs/dbraw/zinc/12/40/96/355124096.db2.gz	GBQVGOPZMDKDKZ-UHFFFAOYSA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCn1cc(CN[C@H]2CCCNC(=O)C2)nn1	ZINC000639275733	355352676	/nfs/dbraw/zinc/35/26/76/355352676.db2.gz	QYACNVYFHPNGJR-JTQLQIEISA-N	0	1	249.318	0.222	20	30		BCEDMN
C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1nnc[nH]1	ZINC000329113651	355897484	/nfs/dbraw/zinc/89/74/84/355897484.db2.gz	RWZVEWRTBIEAAF-JGVFFNPUSA-N	0	1	239.279	0.153	20	30		BCEDMN
O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cnn[nH]1	ZINC000329810515	356121316	/nfs/dbraw/zinc/12/13/16/356121316.db2.gz	BOGHJTJALPKKJR-SSDOTTSWSA-N	0	1	232.247	0.390	20	30		BCEDMN
C[C@H](NC(=O)N[C@H]1[C@@H]2COC[C@@H]21)c1nnc[nH]1	ZINC000330028966	356161947	/nfs/dbraw/zinc/16/19/47/356161947.db2.gz	PIGPAZUSPFWURG-RULNZFCNSA-N	0	1	237.263	0.014	20	30		BCEDMN
O=C(N[C@H]1CCn2ccnc2C1)N1CC(F)C1	ZINC000330275010	356196688	/nfs/dbraw/zinc/19/66/88/356196688.db2.gz	KYPKWGBPHLEEFR-VIFPVBQESA-N	0	1	238.266	0.766	20	30		BCEDMN
C[C@@](C#N)(NC(=O)CN1CCCC1)C1CC1	ZINC000007016162	356364571	/nfs/dbraw/zinc/36/45/71/356364571.db2.gz	JUWXECRAELTTTA-LBPRGKRZSA-N	0	1	221.304	0.891	20	30		BCEDMN
CC#CCCNS(=O)(=O)CCN(CC)CC	ZINC000352227332	134110550	/nfs/dbraw/zinc/11/05/50/134110550.db2.gz	MKOPGMYFHZGIAY-UHFFFAOYSA-N	0	1	246.376	0.661	20	30		BCEDMN
C[C@H](CC#N)N[C@@H](C)CN1CCOCC1	ZINC000049504872	356471481	/nfs/dbraw/zinc/47/14/81/356471481.db2.gz	PPRPDWQYZSTKNI-MNOVXSKESA-N	0	1	211.309	0.599	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@H](CO)OC(C)(C)C1	ZINC000420932540	192286806	/nfs/dbraw/zinc/28/68/06/192286806.db2.gz	HDPMWPNXTAYEBF-NWDGAFQWSA-N	0	1	243.347	0.785	20	30		BCEDMN
C=CCC[C@@H](O)CN1C[C@@H](CO)OC(C)(C)C1	ZINC000420932539	192287220	/nfs/dbraw/zinc/28/72/20/192287220.db2.gz	HDPMWPNXTAYEBF-NEPJUHHUSA-N	0	1	243.347	0.785	20	30		BCEDMN
C[C@@H]1C[C@]1(C#N)C(=O)N1CC(N(C)C)C1	ZINC000336203258	134131312	/nfs/dbraw/zinc/13/13/12/134131312.db2.gz	PMKPHZNYOSYISR-LDYMZIIASA-N	0	1	207.277	0.309	20	30		BCEDMN
CCc1nc(NC(=O)[C@]2(C#N)C[C@@H]2C)n[nH]1	ZINC000450136207	202084253	/nfs/dbraw/zinc/08/42/53/202084253.db2.gz	NPJDFPOQKDINQX-WKEGUHRASA-N	0	1	219.248	0.855	20	30		BCEDMN
CCc1n[nH]c(NC(=O)[C@]2(C#N)C[C@@H]2C)n1	ZINC000450136207	202084254	/nfs/dbraw/zinc/08/42/54/202084254.db2.gz	NPJDFPOQKDINQX-WKEGUHRASA-N	0	1	219.248	0.855	20	30		BCEDMN
CNC(=O)[C@@H]1CCCN(CC2(C#N)CC2)C1	ZINC000336359623	134144617	/nfs/dbraw/zinc/14/46/17/134144617.db2.gz	DBODOCUOAKADCH-SNVBAGLBSA-N	0	1	221.304	0.748	20	30		BCEDMN
N#CC1(NC(=O)c2ccc3[nH]nnc3c2)CC1	ZINC000609990213	356676650	/nfs/dbraw/zinc/67/66/50/356676650.db2.gz	VYKHDKHKDCITDC-UHFFFAOYSA-N	0	1	227.227	0.744	20	30		BCEDMN
N#CC1(NC(=O)c2[nH]nc3c2CCC3)CC1	ZINC000609990572	356677798	/nfs/dbraw/zinc/67/77/98/356677798.db2.gz	XFDVHMYKGUNJTR-UHFFFAOYSA-N	0	1	216.244	0.684	20	30		BCEDMN
Cc1cc(CNC(=O)N2CCO[C@H](C#N)C2)n[nH]1	ZINC000610026407	356698347	/nfs/dbraw/zinc/69/83/47/356698347.db2.gz	UKAKAPIJJYLDOE-SNVBAGLBSA-N	0	1	249.274	0.152	20	30		BCEDMN
N#CCCCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000353119675	134161983	/nfs/dbraw/zinc/16/19/83/134161983.db2.gz	OQTISBGCJNCHLV-WDEREUQCSA-N	0	1	242.344	0.799	20	30		BCEDMN
CO[C@@H](C)CN(C)CC(=O)NC1(C#N)CCC1	ZINC000353253204	134162666	/nfs/dbraw/zinc/16/26/66/134162666.db2.gz	KWMQBGZEMJUMOD-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CCC[C@H]1CO	ZINC000353293123	134163141	/nfs/dbraw/zinc/16/31/41/134163141.db2.gz	DNCSVSTUHDSZHG-NSHDSACASA-N	0	1	239.319	0.205	20	30		BCEDMN
C=CCOCC(=O)NCc1cn[nH]c1C	ZINC000354906017	134171004	/nfs/dbraw/zinc/17/10/04/134171004.db2.gz	VEMAQISRBCMUDP-UHFFFAOYSA-N	0	1	209.249	0.537	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCN(C2CCC2)C1=O	ZINC000639864978	356955494	/nfs/dbraw/zinc/95/54/94/356955494.db2.gz	LQWGFVASVXQQES-KOLCDFICSA-N	0	1	224.304	0.276	20	30		BCEDMN
C[C@H](NC(=O)NCC(C)(C)C#N)c1nnc[nH]1	ZINC000358628303	134191420	/nfs/dbraw/zinc/19/14/20/134191420.db2.gz	KKSRJBAIDPTBKI-ZETCQYMHSA-N	0	1	236.279	0.715	20	30		BCEDMN
CC#CCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000359143404	134194026	/nfs/dbraw/zinc/19/40/26/134194026.db2.gz	MDBICHXYPYJASH-SNVBAGLBSA-N	0	1	246.314	0.980	20	30		BCEDMN
N#CCC[C@@H](C#N)CN[C@H]1[C@@H]2COC[C@@H]21	ZINC000582721695	357371290	/nfs/dbraw/zinc/37/12/90/357371290.db2.gz	YRLOUWNBTAKWBH-UKKRHICBSA-N	0	1	205.261	0.664	20	30		BCEDMN
CCN(CCC#N)CC[C@H]1CCNC1=O	ZINC000395841145	357456943	/nfs/dbraw/zinc/45/69/43/357456943.db2.gz	HYXHSIMEDXCMTF-SNVBAGLBSA-N	0	1	209.293	0.748	20	30		BCEDMN
C[C@@H](CC#N)N(C)CC[C@H]1CCNC1=O	ZINC000395868351	357458087	/nfs/dbraw/zinc/45/80/87/357458087.db2.gz	WUDCTMSGOCTRAI-VHSXEESVSA-N	0	1	209.293	0.747	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)N[C@H](C)c1nnc[nH]1	ZINC000230418097	357524091	/nfs/dbraw/zinc/52/40/91/357524091.db2.gz	JRZLRIYFRNBQLI-XCBNKYQSSA-N	0	1	221.264	0.922	20	30		BCEDMN
N#CCNC(=O)CN1CCC2(C1)CCOCC2	ZINC000362436416	134210904	/nfs/dbraw/zinc/21/09/04/134210904.db2.gz	GBQSNSPTUUYCJK-UHFFFAOYSA-N	0	1	237.303	0.129	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCN(C)C(=O)C1	ZINC000191081711	357748519	/nfs/dbraw/zinc/74/85/19/357748519.db2.gz	DUTUVBUCYFJEBA-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
CC(C)N1CC[NH+](CCCN(C)CC#N)CC1	ZINC000191476351	357773393	/nfs/dbraw/zinc/77/33/93/357773393.db2.gz	JZYMSXJGILWSCV-UHFFFAOYSA-N	0	1	238.379	0.858	20	30		BCEDMN
CC#CCCN1CCC[C@@H](S(=O)(=O)NC)C1	ZINC000372079153	134230403	/nfs/dbraw/zinc/23/04/03/134230403.db2.gz	WVSOJDGFSNCNGW-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
CC#CCN(CCO)CCOCC(F)(F)F	ZINC000304332158	134237199	/nfs/dbraw/zinc/23/71/99/134237199.db2.gz	RLYHVKPUHPXEPU-UHFFFAOYSA-N	0	1	239.237	0.883	20	30		BCEDMN
N#Cc1ccc(C(=O)NCc2c[nH]nn2)s1	ZINC000610528410	357967743	/nfs/dbraw/zinc/96/77/43/357967743.db2.gz	YQVUTOMWZJIOFK-UHFFFAOYSA-N	0	1	233.256	0.668	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)[C@H](C)N(C)C	ZINC000610541563	357979275	/nfs/dbraw/zinc/97/92/75/357979275.db2.gz	HYTULMPGSDEVTE-UWVGGRQHSA-N	0	1	211.309	0.945	20	30		BCEDMN
COCCN(CCC#N)C(=O)c1cc(C)[nH]n1	ZINC000103215341	358013890	/nfs/dbraw/zinc/01/38/90/358013890.db2.gz	QKWKSYXPLSZODF-UHFFFAOYSA-N	0	1	236.275	0.720	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCNC(=O)[C@H]1CCC	ZINC000305710055	134242134	/nfs/dbraw/zinc/24/21/34/134242134.db2.gz	DWQLPOPAAOYERM-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
N#CCNC(=O)CN[C@@H](CCO)c1ccccc1	ZINC000305783353	134242960	/nfs/dbraw/zinc/24/29/60/134242960.db2.gz	WDYSKKSUPRRCCX-LBPRGKRZSA-N	0	1	247.298	0.339	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCOCC1	ZINC000036679796	358050080	/nfs/dbraw/zinc/05/00/80/358050080.db2.gz	JSVHYPHTOBLHLN-LLVKDONJSA-N	0	1	211.309	0.600	20	30		BCEDMN
N#Cc1csc(CN2C[C@@H](O)C[C@@H]2CO)c1	ZINC000350322741	358053971	/nfs/dbraw/zinc/05/39/71/358053971.db2.gz	UUECFIOLZUDSMN-ZJUUUORDSA-N	0	1	238.312	0.547	20	30		BCEDMN
CCOC[C@H](C(=O)OC)N(C)C(=O)C(C)C#N	ZINC000610943099	358248909	/nfs/dbraw/zinc/24/89/09/358248909.db2.gz	XYMIWZIXMBNKDM-RKDXNWHRSA-N	0	1	242.275	0.183	20	30		BCEDMN
Cc1nc([C@@H]2CN(CCCC#N)CCO2)n[nH]1	ZINC000173656361	134275774	/nfs/dbraw/zinc/27/57/74/134275774.db2.gz	DIZMJZLPQKAYGE-JTQLQIEISA-N	0	1	235.291	0.790	20	30		BCEDMN
C=CCOCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425056424	358515733	/nfs/dbraw/zinc/51/57/33/358515733.db2.gz	KISYEXKQMAZVMX-NWDGAFQWSA-N	0	1	238.331	0.742	20	30		BCEDMN
CN(CCCC#N)[C@@H]1CCCCNC1=O	ZINC000105614246	358437442	/nfs/dbraw/zinc/43/74/42/358437442.db2.gz	JPQHQGNKGOZHNF-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCN(CC2CC2)CC1	ZINC000044824666	358556050	/nfs/dbraw/zinc/55/60/50/358556050.db2.gz	LEDZERYVJVLMQE-SNVBAGLBSA-N	0	1	221.304	0.700	20	30		BCEDMN
COC(=O)[C@H](CC(C)C)NC(=O)C(C)C#N	ZINC000044827900	358556677	/nfs/dbraw/zinc/55/66/77/358556677.db2.gz	FWNKTOTUTQMFKE-IUCAKERBSA-N	0	1	226.276	0.850	20	30		BCEDMN
CC#CCN1CCCN(Cc2noc(C)n2)CC1	ZINC000125111974	358534104	/nfs/dbraw/zinc/53/41/04/358534104.db2.gz	ACPZSZPMOVXJMJ-UHFFFAOYSA-N	0	1	248.330	0.909	20	30		BCEDMN
C=C(C)CNC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000613664339	363614413	/nfs/dbraw/zinc/61/44/13/363614413.db2.gz	GOPWBPSBBAIZHN-QMMMGPOBSA-N	0	1	220.276	0.917	20	30		BCEDMN
CCN(CCO)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000049754419	358700131	/nfs/dbraw/zinc/70/01/31/358700131.db2.gz	VBAHCTGOKHPQAL-LBPRGKRZSA-N	0	1	241.335	0.355	20	30		BCEDMN
CN(CC[C@H]1CCNC1=O)CC(C)(C)C#N	ZINC000578245354	366469588	/nfs/dbraw/zinc/46/95/88/366469588.db2.gz	LVIYWAMLBVQKFC-SNVBAGLBSA-N	0	1	223.320	0.994	20	30		BCEDMN
N#CCN1CCC[C@H](CN2CCOCC2)C1	ZINC000069804780	359033890	/nfs/dbraw/zinc/03/38/90/359033890.db2.gz	MJJQSAHISMRORJ-LBPRGKRZSA-N	0	1	223.320	0.554	20	30		BCEDMN
CCN(CC#N)C(=O)[C@H]1CCCCN1C	ZINC000611213577	359124148	/nfs/dbraw/zinc/12/41/48/359124148.db2.gz	CTPRTVYPBNVSQT-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
CC(C)[C@H](C#N)N1CCN(C[C@H](C)CO)CC1	ZINC000611431797	359364099	/nfs/dbraw/zinc/36/40/99/359364099.db2.gz	BCQFMVVOWOQXCZ-STQMWFEESA-N	0	1	239.363	0.781	20	30		BCEDMN
Cc1cc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1	ZINC000611472159	359376392	/nfs/dbraw/zinc/37/63/92/359376392.db2.gz	WXJIAAJTBKCPNH-UHFFFAOYSA-N	0	1	229.243	0.848	20	30		BCEDMN
Cc1cc(CNC(=O)NC[C@@H](C)C#N)n[nH]1	ZINC000611623726	359402043	/nfs/dbraw/zinc/40/20/43/359402043.db2.gz	MHELSSOCXDVLGA-ZETCQYMHSA-N	0	1	221.264	0.677	20	30		BCEDMN
COCC#CCN[C@H](C(N)=O)C(C)(C)C	ZINC000308931355	491140571	/nfs/dbraw/zinc/14/05/71/491140571.db2.gz	JOGIUVXJJJGFEQ-SECBINFHSA-N	0	1	212.293	0.126	20	30		BCEDMN
COc1ccc(C#N)cc1CNC(CO)CO	ZINC000130344786	359596813	/nfs/dbraw/zinc/59/68/13/359596813.db2.gz	LGDDGMKUQOLVEH-UHFFFAOYSA-N	0	1	236.271	0.010	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000612071890	359633364	/nfs/dbraw/zinc/63/33/64/359633364.db2.gz	RALDLJWTRNQLTI-VIFPVBQESA-N	0	1	236.275	0.058	20	30		BCEDMN
C=C[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000612262643	359758875	/nfs/dbraw/zinc/75/88/75/359758875.db2.gz	CCVLNYABAXUSFP-HTQZYQBOSA-N	0	1	220.276	0.915	20	30		BCEDMN
C[C@@H]1CN(CCO)CCN1c1ccc(C#N)nc1	ZINC000450952750	202319612	/nfs/dbraw/zinc/31/96/12/202319612.db2.gz	IXZCISYYZNZDSP-LLVKDONJSA-N	0	1	246.314	0.456	20	30		BCEDMN
N#CCC[C@H](C#N)CNC[C@H]1CC[C@@H](CO)O1	ZINC000578507626	366583425	/nfs/dbraw/zinc/58/34/25/366583425.db2.gz	YESBJWBWBDZBDW-UTUOFQBUSA-N	0	1	237.303	0.559	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCC2(CN(C)C2)C1	ZINC000614033620	363711156	/nfs/dbraw/zinc/71/11/56/363711156.db2.gz	NWNXZEPYKVDPPS-LLVKDONJSA-N	0	1	224.304	0.088	20	30		BCEDMN
COC(=O)[C@H]1CCCCN1C(=O)C(C)C#N	ZINC000097050817	360360104	/nfs/dbraw/zinc/36/01/04/360360104.db2.gz	VQXILDZCGWXGQI-DTWKUNHWSA-N	0	1	224.260	0.700	20	30		BCEDMN
C=C[C@@H](O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1	ZINC000613121080	360380329	/nfs/dbraw/zinc/38/03/29/360380329.db2.gz	BBJHNQRFHHRFOH-JGVFFNPUSA-N	0	1	238.291	0.652	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000613122301	360382777	/nfs/dbraw/zinc/38/27/77/360382777.db2.gz	FYXQDNKBCTZJRQ-RDDDGLTNSA-N	0	1	238.291	0.481	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CC[N@H+](C)CC1(C)C	ZINC000613168116	360470732	/nfs/dbraw/zinc/47/07/32/360470732.db2.gz	CBOSUPRICXOPLZ-SECBINFHSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C)CC1(C)C	ZINC000613168116	360470734	/nfs/dbraw/zinc/47/07/34/360470734.db2.gz	CBOSUPRICXOPLZ-SECBINFHSA-N	0	1	212.293	0.086	20	30		BCEDMN
C#CCNC(=O)c1n[nH]nc1-c1ccccc1	ZINC000188872863	259520907	/nfs/dbraw/zinc/52/09/07/259520907.db2.gz	DRAYJNKJUGNSJE-UHFFFAOYSA-N	0	1	226.239	0.835	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[C@]2(O)C1	ZINC000640474027	361244383	/nfs/dbraw/zinc/24/43/83/361244383.db2.gz	NRVRGPHZHFRNQN-AAEUAGOBSA-N	0	1	238.331	0.478	20	30		BCEDMN
C[NH+](C)CCNC(=O)c1cc([O-])cc(C#N)c1	ZINC000614357264	363790646	/nfs/dbraw/zinc/79/06/46/363790646.db2.gz	SINOEOKGIYRXGV-UHFFFAOYSA-N	0	1	233.271	0.555	20	30		BCEDMN
C=CCN1CC[C@H](N2CC[C@H](O)C[C@@H]2C)C1=O	ZINC000429169507	201076210	/nfs/dbraw/zinc/07/62/10/201076210.db2.gz	UJKIKWWCPGVVSA-SRVKXCTJSA-N	0	1	238.331	0.619	20	30		BCEDMN
C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1nnc[nH]1	ZINC000181374788	366805217	/nfs/dbraw/zinc/80/52/17/366805217.db2.gz	YNTKWAXKSHZLEJ-ZCFIWIBFSA-N	0	1	230.231	0.495	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000435438372	201271004	/nfs/dbraw/zinc/27/10/04/201271004.db2.gz	PGKXJKFXYNGICR-MNOVXSKESA-N	0	1	246.376	0.965	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H]1CCN(C2CC2)C1	ZINC000435429497	201272163	/nfs/dbraw/zinc/27/21/63/201272163.db2.gz	XEDXUIQXFKQUJN-JTQLQIEISA-N	0	1	244.360	0.719	20	30		BCEDMN
C=CCCNCc1cn(C[C@@H]2CCOC2)nn1	ZINC000631173269	361706466	/nfs/dbraw/zinc/70/64/66/361706466.db2.gz	PDMRWXMRFYZHHS-NSHDSACASA-N	0	1	236.319	0.980	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCC(c2cn[nH]c2C)CC1	ZINC000614591262	363902917	/nfs/dbraw/zinc/90/29/17/363902917.db2.gz	IGGKLVFFYXUHMT-GFCCVEGCSA-N	0	1	249.314	0.971	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@H]1CCCO1	ZINC000328658488	541305783	/nfs/dbraw/zinc/30/57/83/541305783.db2.gz	RDBMCWDYVYGNMH-SNVBAGLBSA-N	0	1	227.308	0.375	20	30		BCEDMN
C=CCN(CC=C)C(=O)CCc1nn[nH]n1	ZINC000630406299	364138680	/nfs/dbraw/zinc/13/86/80/364138680.db2.gz	QGDXXLINLSORGQ-UHFFFAOYSA-N	0	1	221.264	0.333	20	30		BCEDMN
C=CCN1CC[C@@H](n2ccnc2CN)C1=O	ZINC000630583507	364286622	/nfs/dbraw/zinc/28/66/22/364286622.db2.gz	GYRVDRQTZGAGTO-SECBINFHSA-N	0	1	220.276	0.301	20	30		BCEDMN
N#Cc1cccc(CN2CC[C@H](CO)[C@@H](O)C2)c1	ZINC000573521908	364852692	/nfs/dbraw/zinc/85/26/92/364852692.db2.gz	SVCDYWBPDLAJMA-KGLIPLIRSA-N	0	1	246.310	0.733	20	30		BCEDMN
CC[C@H](CC#N)NCCCS(=O)(=O)NC	ZINC000573621663	364876695	/nfs/dbraw/zinc/87/66/95/364876695.db2.gz	HAGPPPMVSTUINB-SECBINFHSA-N	0	1	233.337	0.208	20	30		BCEDMN
COc1cc(C#N)ccc1CNC(CO)CO	ZINC000574581180	365095925	/nfs/dbraw/zinc/09/59/25/365095925.db2.gz	CEMWZDDMYLSMSA-UHFFFAOYSA-N	0	1	236.271	0.010	20	30		BCEDMN
N#CCCOCCN1CCC[C@@H]2C(=O)NC[C@H]21	ZINC000339154726	365452559	/nfs/dbraw/zinc/45/25/59/365452559.db2.gz	LHDUCDVWFZRSPH-WDEREUQCSA-N	0	1	237.303	0.127	20	30		BCEDMN
CC(C)COC[C@H](O)CN[C@H](C)CC#N	ZINC000068610840	370817055	/nfs/dbraw/zinc/81/70/55/370817055.db2.gz	AUPFGBDRYMINBT-GHMZBOCLSA-N	0	1	214.309	0.912	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000182645032	366925330	/nfs/dbraw/zinc/92/53/30/366925330.db2.gz	VVAXPJAJVNPYJZ-UWVGGRQHSA-N	0	1	238.335	0.928	20	30		BCEDMN
N#CCCN[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000580770283	367160014	/nfs/dbraw/zinc/16/00/14/367160014.db2.gz	WPHSLFDFUYONBK-MWLCHTKSSA-N	0	1	207.277	0.547	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@H](O)C[C@H]1C	ZINC000384958743	367765298	/nfs/dbraw/zinc/76/52/98/367765298.db2.gz	RHXMETOKUWNMPO-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000385871327	367872698	/nfs/dbraw/zinc/87/26/98/367872698.db2.gz	ZIVYYXQNIZPXMY-UWVGGRQHSA-N	0	1	213.277	0.984	20	30		BCEDMN
N#C[C@]1(F)CCN(C(=O)c2ccn[nH]2)C1	ZINC000615662267	368197510	/nfs/dbraw/zinc/19/75/10/368197510.db2.gz	UNUWZSUUHJTAFK-SECBINFHSA-N	0	1	208.196	0.487	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)NCc1n[nH]c(C2CC2)n1	ZINC000615668226	368199729	/nfs/dbraw/zinc/19/97/29/368199729.db2.gz	FYEHHZNHMHMHIM-LLVKDONJSA-N	0	1	236.275	0.235	20	30		BCEDMN
C[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)N(C)C	ZINC000615823668	368458380	/nfs/dbraw/zinc/45/83/80/368458380.db2.gz	VCHWWCJZHCGGDB-WCBMZHEXSA-N	0	1	213.256	0.401	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(CC)C[C@H]1CC	ZINC000615961104	368794813	/nfs/dbraw/zinc/79/48/13/368794813.db2.gz	PZEZGMWJADPHOZ-MNOVXSKESA-N	0	1	226.320	0.476	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN([C@@H](C)CC)CC1	ZINC000615984458	368855103	/nfs/dbraw/zinc/85/51/03/368855103.db2.gz	LBDRHHIKEZLHGT-WCQYABFASA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CN(C)C1	ZINC000618189488	369082460	/nfs/dbraw/zinc/08/24/60/369082460.db2.gz	LFRDGSBYJJJQDI-NEPJUHHUSA-N	0	1	238.331	0.598	20	30		BCEDMN
CCO[C@H](C)C(=O)NC1(C#N)CCN(C)CC1	ZINC000521604587	259537236	/nfs/dbraw/zinc/53/72/36/259537236.db2.gz	LJDUOPIMZOCVHT-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
C[C@H](CCC#N)CN1CCO[C@@H](C(N)=O)C1	ZINC000618887473	369233913	/nfs/dbraw/zinc/23/39/13/369233913.db2.gz	ZWKLUSCDKNMZGC-NXEZZACHSA-N	0	1	225.292	0.112	20	30		BCEDMN
N#CCC1(CNS(=O)(=O)c2ncc[nH]2)CC1	ZINC000404132649	369419820	/nfs/dbraw/zinc/41/98/20/369419820.db2.gz	VDAVSGQFODJQFF-UHFFFAOYSA-N	0	1	240.288	0.382	20	30		BCEDMN
C=CCNC(=O)N1CCNC[C@@H]1C(C)C	ZINC000631000256	369536891	/nfs/dbraw/zinc/53/68/91/369536891.db2.gz	QNDPFZCZTXJVGC-SNVBAGLBSA-N	0	1	211.309	0.812	20	30		BCEDMN
COC[C@H](O)CN(C)[C@H]1CCC[C@H]1C#N	ZINC000250413926	369524642	/nfs/dbraw/zinc/52/46/42/369524642.db2.gz	OGERUGOISBODGK-AXFHLTTASA-N	0	1	212.293	0.618	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCCc2cnoc2)c1=O	ZINC000600557188	369544773	/nfs/dbraw/zinc/54/47/73/369544773.db2.gz	PWLPLZMPVQKZAY-UHFFFAOYSA-N	0	1	246.226	0.029	20	30		BCEDMN
CN[C@@H](C)c1cn(-c2ncccc2C#N)nn1	ZINC000600976026	369583540	/nfs/dbraw/zinc/58/35/40/369583540.db2.gz	HNMQXTKMHOPHNT-QMMMGPOBSA-N	0	1	228.259	0.814	20	30		BCEDMN
Cc1cc(=O)n(-c2oc(C)nc2C#N)[nH]1	ZINC000601937802	369722460	/nfs/dbraw/zinc/72/24/60/369722460.db2.gz	HZBDMMJGKJLTAW-UHFFFAOYSA-N	0	1	204.189	0.967	20	30		BCEDMN
N#Cc1cccc(CN[C@H]2C[C@@H](O)C2)n1	ZINC000602682260	369841318	/nfs/dbraw/zinc/84/13/18/369841318.db2.gz	PLGZCEWKQGQCMT-PHIMTYICSA-N	0	1	203.245	0.566	20	30		BCEDMN
N#Cc1cccc(CN2CCC(C(N)=O)CC2)n1	ZINC000602429277	369787266	/nfs/dbraw/zinc/78/72/66/369787266.db2.gz	OSIHLLRQFUVOSP-UHFFFAOYSA-N	0	1	244.298	0.651	20	30		BCEDMN
N#Cc1cccc(CN2CCC[C@H](C(N)=O)C2)n1	ZINC000602423785	369787304	/nfs/dbraw/zinc/78/73/04/369787304.db2.gz	GVBKNADXZSZTHN-JTQLQIEISA-N	0	1	244.298	0.651	20	30		BCEDMN
C[C@@H]1CN(C(=O)Cc2ccc(C#N)nc2)CCN1	ZINC000602432992	369788557	/nfs/dbraw/zinc/78/85/57/369788557.db2.gz	JFFNTDFAWOLHLP-SNVBAGLBSA-N	0	1	244.298	0.316	20	30		BCEDMN
CN1CCN(Cc2ccc(C#N)cc2)[C@@H](CO)C1	ZINC000602717372	369847820	/nfs/dbraw/zinc/84/78/20/369847820.db2.gz	YSKWDMHYQJLPKI-CQSZACIVSA-N	0	1	245.326	0.667	20	30		BCEDMN
C=C[C@H](CO)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000620591144	369943531	/nfs/dbraw/zinc/94/35/31/369943531.db2.gz	KDRBPQJPAZTHHS-DTWKUNHWSA-N	0	1	223.276	0.251	20	30		BCEDMN
CCOC[C@@H](O)CN[C@@H](CC)CC#N	ZINC000308687909	370149879	/nfs/dbraw/zinc/14/98/79/370149879.db2.gz	QJLSMHRWTVOPKH-UWVGGRQHSA-N	0	1	200.282	0.666	20	30		BCEDMN
COCCN(CCCCC#N)CC(=O)N(C)C	ZINC000076032191	370202050	/nfs/dbraw/zinc/20/20/50/370202050.db2.gz	OYZVQJKMULAMNV-UHFFFAOYSA-N	0	1	241.335	0.717	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2cc(C#N)ncn2)n[nH]1	ZINC000392499051	371399921	/nfs/dbraw/zinc/39/99/21/371399921.db2.gz	IRPSZJLUZBOLJT-ZCFIWIBFSA-N	0	1	229.247	0.948	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCc2nc[nH]c2C1	ZINC000627373358	371592316	/nfs/dbraw/zinc/59/23/16/371592316.db2.gz	OROSMXUEAFWZSH-LLVKDONJSA-N	0	1	221.260	0.231	20	30		BCEDMN
C=C(C)COCCNC(=O)Cc1nnc[nH]1	ZINC000631820413	372593806	/nfs/dbraw/zinc/59/38/06/372593806.db2.gz	UOZOVTMPTIHFQT-UHFFFAOYSA-N	0	1	224.264	0.056	20	30		BCEDMN
C=CCN(C(=O)CCc1c[nH]nn1)C1CC1	ZINC000632287218	372865637	/nfs/dbraw/zinc/86/56/37/372865637.db2.gz	ZARDQEKDZJDVSV-UHFFFAOYSA-N	0	1	220.276	0.914	20	30		BCEDMN
C=CCN(C(=O)CCc1cnn[nH]1)C1CC1	ZINC000632287218	372865643	/nfs/dbraw/zinc/86/56/43/372865643.db2.gz	ZARDQEKDZJDVSV-UHFFFAOYSA-N	0	1	220.276	0.914	20	30		BCEDMN
C=C(C)CN(C)C(=O)CCc1nn[nH]n1	ZINC000632323903	372883616	/nfs/dbraw/zinc/88/36/16/372883616.db2.gz	JBIKCDVOUCJFNO-UHFFFAOYSA-N	0	1	209.253	0.167	20	30		BCEDMN
C=C[C@@H]1CCCCN1C(=O)CCc1nn[nH]n1	ZINC000632781684	373139840	/nfs/dbraw/zinc/13/98/40/373139840.db2.gz	VQRZESXQSDGUCY-SECBINFHSA-N	0	1	235.291	0.699	20	30		BCEDMN
CCCN(CC(=O)OCC)C(=O)C(C)C#N	ZINC000044827077	169101167	/nfs/dbraw/zinc/10/11/67/169101167.db2.gz	REDJYUAHVDHLKA-VIFPVBQESA-N	0	1	226.276	0.948	20	30		BCEDMN
CCCNC(=O)CNCc1cc(C#N)n(C)c1	ZINC000189581153	169226506	/nfs/dbraw/zinc/22/65/06/169226506.db2.gz	PWJKPMYGWNXRTE-UHFFFAOYSA-N	0	1	234.303	0.513	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H](C)C(=O)OC	ZINC000048335919	383846355	/nfs/dbraw/zinc/84/63/55/383846355.db2.gz	WCUHHXZXPOUXHL-VIFPVBQESA-N	0	1	228.292	0.030	20	30		BCEDMN
C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000334246957	383878553	/nfs/dbraw/zinc/87/85/53/383878553.db2.gz	VDBPHAABDILQRB-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C#C[C@@H](NCN1CCC(=O)CC1)C(C)C	ZINC000289319440	383980084	/nfs/dbraw/zinc/98/00/84/383980084.db2.gz	FOLGRQDIFUPJKL-GFCCVEGCSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#CCN(CC#C)CCCC(=O)NCCC	ZINC000298820044	383998155	/nfs/dbraw/zinc/99/81/55/383998155.db2.gz	AWXOYJFZSKVSKZ-UHFFFAOYSA-N	0	1	220.316	0.861	20	30		BCEDMN
Cc1nc(NC(=O)c2ccc(C#N)o2)n[nH]1	ZINC000339924737	384053525	/nfs/dbraw/zinc/05/35/25/384053525.db2.gz	QNWWIJJGFBGKMO-UHFFFAOYSA-N	0	1	217.188	0.830	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2ccc(C#N)o2)n1	ZINC000339924737	384053529	/nfs/dbraw/zinc/05/35/29/384053529.db2.gz	QNWWIJJGFBGKMO-UHFFFAOYSA-N	0	1	217.188	0.830	20	30		BCEDMN
C[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1C	ZINC000122650328	384101106	/nfs/dbraw/zinc/10/11/06/384101106.db2.gz	PFGOQXYUSGTPCK-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1C	ZINC000122650328	384101112	/nfs/dbraw/zinc/10/11/12/384101112.db2.gz	PFGOQXYUSGTPCK-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
N#CCCN(CCC#N)C(=O)CN1CCCC1	ZINC000070923658	384141139	/nfs/dbraw/zinc/14/11/39/384141139.db2.gz	ORVVLRMQIQVDHF-UHFFFAOYSA-N	0	1	234.303	0.738	20	30		BCEDMN
C#CCCCNC(=O)[C@@H]1CN(C(C)C)CCO1	ZINC000367581972	533039727	/nfs/dbraw/zinc/03/97/27/533039727.db2.gz	YTGSEQUPSICFHZ-LBPRGKRZSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCO	ZINC000153140464	384179518	/nfs/dbraw/zinc/17/95/18/384179518.db2.gz	AOZGLCKUXQMKSE-LLVKDONJSA-N	0	1	228.336	0.724	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC000135029664	384300309	/nfs/dbraw/zinc/30/03/09/384300309.db2.gz	OPOYZOYBNRXWTO-UHFFFAOYSA-N	0	1	218.260	0.272	20	30		BCEDMN
C#CCCN1CCN(c2cncc(C)n2)CC1	ZINC000302235304	533055432	/nfs/dbraw/zinc/05/54/32/533055432.db2.gz	UVDSJDOOQPZOQX-UHFFFAOYSA-N	0	1	230.315	0.930	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1nccc(C#N)n1	ZINC000235324646	384346046	/nfs/dbraw/zinc/34/60/46/384346046.db2.gz	UWLNGKVBAKYMFZ-SECBINFHSA-N	0	1	217.276	0.489	20	30		BCEDMN
C[C@@H](NC(=O)c1ccc(C#N)o1)c1nnc[nH]1	ZINC000310493338	384365503	/nfs/dbraw/zinc/36/55/03/384365503.db2.gz	HTKYFWGVFQVCFI-ZCFIWIBFSA-N	0	1	231.215	0.760	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCO[C@@]2(CCOC2)C1	ZINC000249020164	384457920	/nfs/dbraw/zinc/45/79/20/384457920.db2.gz	QMULUMMIUZBVAP-OLZOCXBDSA-N	0	1	241.331	0.805	20	30		BCEDMN
C=CCC[C@H](O)CN1CCCNC(=O)[C@H]1C	ZINC000249105619	384490941	/nfs/dbraw/zinc/49/09/41/384490941.db2.gz	XBKDUBIEARRAJS-MNOVXSKESA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCC[C@H](O)CN1CCN2C(=O)NC[C@@H]2C1	ZINC000150879581	384514651	/nfs/dbraw/zinc/51/46/51/384514651.db2.gz	UMONGUFFBFQJTA-MNOVXSKESA-N	0	1	239.319	0.023	20	30		BCEDMN
CC#CCCN1CCNC(=O)[C@H]1C(C)C	ZINC000185026672	384672063	/nfs/dbraw/zinc/67/20/63/384672063.db2.gz	GEBMDMUTLUXHSR-LLVKDONJSA-N	0	1	208.305	0.856	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)COc1ccccc1C	ZINC000491778525	384673555	/nfs/dbraw/zinc/67/35/55/384673555.db2.gz	YJMMHRVKPQZGEN-QWHCGFSZSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H](C)c1ccn(C)n1	ZINC000491384865	384654663	/nfs/dbraw/zinc/65/46/63/384654663.db2.gz	PXSZGWKTVRJYLF-JTQLQIEISA-N	0	1	234.303	0.210	20	30		BCEDMN
C#CCNC(=O)[C@@H]1NCCc2ccccc21	ZINC000049843585	384686761	/nfs/dbraw/zinc/68/67/61/384686761.db2.gz	TWPCHPZIARACJW-GFCCVEGCSA-N	0	1	214.268	0.623	20	30		BCEDMN
C=CCCCNS(=O)(=O)c1ncc[nH]1	ZINC000308534855	384788461	/nfs/dbraw/zinc/78/84/61/384788461.db2.gz	RMKAMNHEVNPQJM-UHFFFAOYSA-N	0	1	215.278	0.654	20	30		BCEDMN
CCOCCN1CCN(CCCC#N)CC1	ZINC000105829916	384801627	/nfs/dbraw/zinc/80/16/27/384801627.db2.gz	MBCXZJUPIXQDDO-UHFFFAOYSA-N	0	1	225.336	0.944	20	30		BCEDMN
C#CCN(CC#C)CCC(=O)NC(C)C	ZINC000174528405	384803086	/nfs/dbraw/zinc/80/30/86/384803086.db2.gz	DWLBEENZTPCHAM-UHFFFAOYSA-N	0	1	206.289	0.470	20	30		BCEDMN
C=CCN(CC=C)CCN1C(=O)CNC1=O	ZINC000104945866	384850144	/nfs/dbraw/zinc/85/01/44/384850144.db2.gz	NBGUADIUPLXKGQ-UHFFFAOYSA-N	0	1	223.276	0.212	20	30		BCEDMN
C[C@@H](C#N)CNc1ncnc2nc[nH]c21	ZINC000302028569	384953308	/nfs/dbraw/zinc/95/33/08/384953308.db2.gz	BAEZOSWYNBIRLJ-LURJTMIESA-N	0	1	202.221	0.924	20	30		BCEDMN
C=CC[C@H](CO)NCc1cncnc1OC	ZINC000647201131	384893260	/nfs/dbraw/zinc/89/32/60/384893260.db2.gz	BDMUERHDBDLORT-SNVBAGLBSA-N	0	1	223.276	0.512	20	30		BCEDMN
C#C[C@@H](CC)NS(=O)(=O)CCN(CC)CC	ZINC000491483931	384990988	/nfs/dbraw/zinc/99/09/88/384990988.db2.gz	FSXMESROCCKYGZ-NSHDSACASA-N	0	1	246.376	0.659	20	30		BCEDMN
C=CCOCCCC(=O)N1CCN[C@H](C)C1	ZINC000188428359	385012173	/nfs/dbraw/zinc/01/21/73/385012173.db2.gz	RISCHAISSUIUFN-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](n2cccn2)C1	ZINC000361594348	385016561	/nfs/dbraw/zinc/01/65/61/385016561.db2.gz	JQIMPNXVLGVVBU-VXGBXAGGSA-N	0	1	248.330	0.821	20	30		BCEDMN
CC1(C#N)CCN([C@H]2CCCNC2=O)CC1	ZINC000336360869	385156167	/nfs/dbraw/zinc/15/61/67/385156167.db2.gz	JRUJULWNSAVWAM-JTQLQIEISA-N	0	1	221.304	0.891	20	30		BCEDMN
C#CCNC(=O)CC[N@H+]1CCN(C)[C@@H](C)[C@@H]1C	ZINC000491616836	385161469	/nfs/dbraw/zinc/16/14/69/385161469.db2.gz	BWQSOZRXUINKTE-RYUDHWBXSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(CC)CCOCC	ZINC000157573988	385202874	/nfs/dbraw/zinc/20/28/74/385202874.db2.gz	USNYFUKAYLMUAF-LLVKDONJSA-N	0	1	226.320	0.483	20	30		BCEDMN
CN(Cc1nnc[nH]1)[C@H]1CC[C@@H](C#N)C1	ZINC000407991285	385319300	/nfs/dbraw/zinc/31/93/00/385319300.db2.gz	UUSLSYVAXWWJGU-BDAKNGLRSA-N	0	1	205.265	0.929	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000408000184	385351905	/nfs/dbraw/zinc/35/19/05/385351905.db2.gz	ZUTIJPWHGZOYRV-DTWKUNHWSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000408000184	385351914	/nfs/dbraw/zinc/35/19/14/385351914.db2.gz	ZUTIJPWHGZOYRV-DTWKUNHWSA-N	0	1	247.302	0.670	20	30		BCEDMN
C=CCCOCC(=O)N1C[C@@H](C)N[C@H](C)C1	ZINC000644086906	385437756	/nfs/dbraw/zinc/43/77/56/385437756.db2.gz	AEAMRCYOAKDUHN-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CC#N)C1	ZINC000408034518	385547088	/nfs/dbraw/zinc/54/70/88/385547088.db2.gz	FXQAVNXYULMFOJ-BDAKNGLRSA-N	0	1	221.264	0.399	20	30		BCEDMN
C[C@H](CO)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000564212919	385524096	/nfs/dbraw/zinc/52/40/96/385524096.db2.gz	YSBZKMBGTMDFPQ-SECBINFHSA-N	0	1	245.286	0.414	20	30		BCEDMN
C#C[C@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1	ZINC000491705260	385574602	/nfs/dbraw/zinc/57/46/02/385574602.db2.gz	LRZILMDOAFSLHR-JTQLQIEISA-N	0	1	245.282	0.761	20	30		BCEDMN
N#CC[C@]1(O)CCN(CCc2ccccn2)C1	ZINC000592147100	385567887	/nfs/dbraw/zinc/56/78/87/385567887.db2.gz	ILHLGMVUGWLMIL-ZDUSSCGKSA-N	0	1	231.299	0.975	20	30		BCEDMN
N#CC[C@@]1(O)CCN(CCc2ccccn2)C1	ZINC000592147099	385568137	/nfs/dbraw/zinc/56/81/37/385568137.db2.gz	ILHLGMVUGWLMIL-CYBMUJFWSA-N	0	1	231.299	0.975	20	30		BCEDMN
N#CCCOCCN1CCC[C@@]12CCNC2=O	ZINC000593996761	385592832	/nfs/dbraw/zinc/59/28/32/385592832.db2.gz	RFEPAXNLOWQFRW-LBPRGKRZSA-N	0	1	237.303	0.271	20	30		BCEDMN
Cc1cc(C(=O)N2CCOC[C@H]2C#N)n[nH]1	ZINC000259978026	385634417	/nfs/dbraw/zinc/63/44/17/385634417.db2.gz	UBDSYAQXEXEBRM-MRVPVSSYSA-N	0	1	220.232	0.083	20	30		BCEDMN
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](O)C1	ZINC000302833789	385731325	/nfs/dbraw/zinc/73/13/25/385731325.db2.gz	RAGIHTXFWOWLJB-WDEREUQCSA-N	0	1	239.319	0.204	20	30		BCEDMN
C[C@H](C#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000347561954	385739271	/nfs/dbraw/zinc/73/92/71/385739271.db2.gz	MADGDFIRVSOEAP-BDAKNGLRSA-N	0	1	227.333	0.452	20	30		BCEDMN
CN(C(=O)[C@H]1CNCCO1)[C@H]1CCC[C@@H]1C#N	ZINC000602597358	385809276	/nfs/dbraw/zinc/80/92/76/385809276.db2.gz	BDUSNMZDZFZISW-OUAUKWLOSA-N	0	1	237.303	0.125	20	30		BCEDMN
CCCN1CCN(c2nccc(C#N)n2)CC1	ZINC000231896230	385857025	/nfs/dbraw/zinc/85/70/25/385857025.db2.gz	SAMJZWMIXWXSQL-UHFFFAOYSA-N	0	1	231.303	0.880	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(CC#N)CC2)CC1	ZINC000602772782	385820092	/nfs/dbraw/zinc/82/00/92/385820092.db2.gz	KGGGQRNVVAKVAH-LBPRGKRZSA-N	0	1	237.347	0.679	20	30		BCEDMN
C#CCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1	ZINC000368841030	533154523	/nfs/dbraw/zinc/15/45/23/533154523.db2.gz	CNHYMVBDNHNFRF-SNVBAGLBSA-N	0	1	248.286	0.335	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)Nc1nnc(C)[nH]1	ZINC000285787374	385966609	/nfs/dbraw/zinc/96/66/09/385966609.db2.gz	ZENSZDHHHJZHEN-SECBINFHSA-N	0	1	207.237	0.992	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)Nc1nc(C)n[nH]1	ZINC000285787374	385966633	/nfs/dbraw/zinc/96/66/33/385966633.db2.gz	ZENSZDHHHJZHEN-SECBINFHSA-N	0	1	207.237	0.992	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@](C)(O)C1	ZINC000124201217	386000491	/nfs/dbraw/zinc/00/04/91/386000491.db2.gz	NHAKZIULTNKHQR-NSHDSACASA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](O)[C@H](C)C1	ZINC000164644950	386174822	/nfs/dbraw/zinc/17/48/22/386174822.db2.gz	NRWWKUPDQUEPAU-VWYCJHECSA-N	0	1	226.320	0.380	20	30		BCEDMN
C#CCN1CCOC2(CCOCC2)CC1	ZINC000372204481	533159451	/nfs/dbraw/zinc/15/94/51/533159451.db2.gz	KCMUIOVHSMCOCB-UHFFFAOYSA-N	0	1	209.289	0.891	20	30		BCEDMN
CNC(=O)[C@@H]1CCC[C@@H]1NC[C@H](C#N)CCC#N	ZINC000345871271	386138276	/nfs/dbraw/zinc/13/82/76/386138276.db2.gz	BFCXAKLNVSDPGI-TUAOUCFPSA-N	0	1	248.330	0.934	20	30		BCEDMN
C[C@H](C#N)C(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000347068877	386212873	/nfs/dbraw/zinc/21/28/73/386212873.db2.gz	MKRVIBHNUMDORI-SSDOTTSWSA-N	0	1	242.242	0.965	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@H](C)OC[C@H]1C	ZINC000293411603	533163320	/nfs/dbraw/zinc/16/33/20/533163320.db2.gz	IEEIOCDDXIXJBF-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@@H]1CN(CC2(C#N)CC2)CCN1CCO	ZINC000408352665	386198653	/nfs/dbraw/zinc/19/86/53/386198653.db2.gz	SYNLAJYYCVCDLH-LLVKDONJSA-N	0	1	223.320	0.289	20	30		BCEDMN
CC(C)N(CCN(C)C)S(=O)(=O)[C@H](C)C#N	ZINC000416440726	386318406	/nfs/dbraw/zinc/31/84/06/386318406.db2.gz	TUQROJBJXJAUMG-SNVBAGLBSA-N	0	1	247.364	0.500	20	30		BCEDMN
C=C(C)CN(C)[C@H](C)C(=O)NC(=O)NCC	ZINC000181300450	386348146	/nfs/dbraw/zinc/34/81/46/386348146.db2.gz	IUYXMNJFLUPHEB-SECBINFHSA-N	0	1	227.308	0.729	20	30		BCEDMN
C=C(C)CN(C)[C@H](C)C(=O)NC(=O)NC	ZINC000181288516	386348696	/nfs/dbraw/zinc/34/86/96/386348696.db2.gz	MDAACEOYDPLFIN-MRVPVSSYSA-N	0	1	213.281	0.338	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC=C(C)C1	ZINC000280926455	386358772	/nfs/dbraw/zinc/35/87/72/386358772.db2.gz	UOOBSTJQMIPKEX-LLVKDONJSA-N	0	1	206.289	0.776	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCC1=CCN(C)CC1	ZINC000280644400	386367660	/nfs/dbraw/zinc/36/76/60/386367660.db2.gz	VGEWBUWCTCMDLS-UHFFFAOYSA-N	0	1	244.360	0.744	20	30		BCEDMN
CC#CC[C@H](CO)Nc1ncnc2[nH]cnc21	ZINC000645403753	386450852	/nfs/dbraw/zinc/45/08/52/386450852.db2.gz	PYMJRCWPZWPDTQ-MRVPVSSYSA-N	0	1	231.259	0.539	20	30		BCEDMN
CCNC(=O)CNCc1cccc(C#N)c1	ZINC000035142097	386462790	/nfs/dbraw/zinc/46/27/90/386462790.db2.gz	DBNOHJQWXVRUCO-UHFFFAOYSA-N	0	1	217.272	0.784	20	30		BCEDMN
N#Cc1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1	ZINC000572038236	386464644	/nfs/dbraw/zinc/46/46/44/386464644.db2.gz	IPMTWRMWMONKJR-KBPBESRZSA-N	0	1	246.310	0.733	20	30		BCEDMN
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CC2(C#N)CC2)C1	ZINC000328945445	386649423	/nfs/dbraw/zinc/64/94/23/386649423.db2.gz	MAZMIVNAZNGVCQ-ZJUUUORDSA-N	0	1	247.302	0.870	20	30		BCEDMN
O=C(NCCN1CCC1)NC[C@@H]1CCCCO1	ZINC000328657995	386604566	/nfs/dbraw/zinc/60/45/66/386604566.db2.gz	QEVCWRLCDMFOTE-NSHDSACASA-N	0	1	241.335	0.765	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCC2CC2)c1=O	ZINC000335477134	386700442	/nfs/dbraw/zinc/70/04/42/386700442.db2.gz	GMTKIVLYKYBYKP-UHFFFAOYSA-N	0	1	205.217	0.208	20	30		BCEDMN
O=C(NCC[C@@H](O)C(F)(F)F)c1cnn[nH]1	ZINC000330395943	386701220	/nfs/dbraw/zinc/70/12/20/386701220.db2.gz	RRCATVGVTPBDHL-RXMQYKEDSA-N	0	1	238.169	0.423	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2=CCCCC2)c1=O	ZINC000335480144	386707094	/nfs/dbraw/zinc/70/70/94/386707094.db2.gz	SZCPWZWETLGMDL-UHFFFAOYSA-N	0	1	231.255	0.909	20	30		BCEDMN
C=CCOCCN1CCc2cn[nH]c2C1	ZINC000645100527	386717442	/nfs/dbraw/zinc/71/74/42/386717442.db2.gz	RTIRLYUQMMGFHY-UHFFFAOYSA-N	0	1	207.277	0.970	20	30		BCEDMN
CC[C@@H](CC#N)NCCN1CCCC1=O	ZINC000405430445	386728722	/nfs/dbraw/zinc/72/87/22/386728722.db2.gz	JUDIZCUAWUJDIV-JTQLQIEISA-N	0	1	209.293	0.891	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000330569387	386789581	/nfs/dbraw/zinc/78/95/81/386789581.db2.gz	MXVHNSLCPWYMNU-ZJUUUORDSA-N	0	1	241.360	0.842	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)NCCCCC#N	ZINC000330605930	386783097	/nfs/dbraw/zinc/78/30/97/386783097.db2.gz	ZMFGKJAARPXVNI-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
Cc1n[nH]c(CCNC(=O)c2cnn(C)c2)n1	ZINC000330623321	386821832	/nfs/dbraw/zinc/82/18/32/386821832.db2.gz	PKPTUPHHFTZNCW-UHFFFAOYSA-N	0	1	234.263	0.394	20	30		BCEDMN
N#CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000339927142	386802816	/nfs/dbraw/zinc/80/28/16/386802816.db2.gz	VVEDLBNAYVFHRO-UHFFFAOYSA-N	0	1	245.198	0.724	20	30		BCEDMN
Cc1nnc(SCC(=O)N[C@@H](C)C#N)[nH]1	ZINC000344932379	386807881	/nfs/dbraw/zinc/80/78/81/386807881.db2.gz	BBJHEPXSHRDVEL-YFKPBYRVSA-N	0	1	225.277	0.234	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N[C@@H](C)C#N)n1	ZINC000344932379	386807883	/nfs/dbraw/zinc/80/78/83/386807883.db2.gz	BBJHEPXSHRDVEL-YFKPBYRVSA-N	0	1	225.277	0.234	20	30		BCEDMN
C[C@H](CO)N(C)C([O-])=[NH+]CCn1ccnc1	ZINC000330602047	386808545	/nfs/dbraw/zinc/80/85/45/386808545.db2.gz	ZWRSFCKIUVSXOM-SECBINFHSA-N	0	1	226.280	0.110	20	30		BCEDMN
COC(=O)CCN1CCN(CCC#N)[C@@H](C)C1	ZINC000330696937	386834629	/nfs/dbraw/zinc/83/46/29/386834629.db2.gz	DWFLSQPTOCXPDN-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
C=CCC[C@@H](CO)NCc1ccn(C)n1	ZINC000321402059	386903409	/nfs/dbraw/zinc/90/34/09/386903409.db2.gz	IERFJRPCPSPVRE-NSHDSACASA-N	0	1	209.293	0.837	20	30		BCEDMN
C=C(C)COCCNC(=O)N1CCN[C@@H](C)C1	ZINC000417887385	386943840	/nfs/dbraw/zinc/94/38/40/386943840.db2.gz	KOSKAYZCCXMANN-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C=CCCn1cc(C(=O)NCc2cnc[nH]2)nn1	ZINC000424684557	387247321	/nfs/dbraw/zinc/24/73/21/387247321.db2.gz	ODRJDCBLISZCNT-UHFFFAOYSA-N	0	1	246.274	0.507	20	30		BCEDMN
C=C[C@@H](CO)NCc1cnc2n[nH]c(C)c2c1	ZINC000352482207	387249123	/nfs/dbraw/zinc/24/91/23/387249123.db2.gz	SKFXGYLFAIIXMM-JTQLQIEISA-N	0	1	232.287	0.903	20	30		BCEDMN
C[C@@H](CCC#N)N[C@@H](CO)c1cnn(C)c1	ZINC000514733253	387282646	/nfs/dbraw/zinc/28/26/46/387282646.db2.gz	HNIFHDUGDMVIOE-ONGXEEELSA-N	0	1	222.292	0.735	20	30		BCEDMN
C=CCOCC[N@H+](C)[C@H](C)CC(=O)[O-]	ZINC000514877429	387301809	/nfs/dbraw/zinc/30/18/09/387301809.db2.gz	UXEKFBRVBXWRAZ-SECBINFHSA-N	0	1	201.266	0.984	20	30		BCEDMN
C=C(C)[C@H](CC(=O)NCc1nnc[nH]1)OCC	ZINC000270088078	387428032	/nfs/dbraw/zinc/42/80/32/387428032.db2.gz	WQHHVNSTQVZINE-VIFPVBQESA-N	0	1	238.291	0.792	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)CN1CC[C@H](C)C1	ZINC000515867259	387436627	/nfs/dbraw/zinc/43/66/27/387436627.db2.gz	JWTHRCOSAKMHRZ-TUAOUCFPSA-N	0	1	238.331	0.788	20	30		BCEDMN
N#CC1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1	ZINC000516025566	387446834	/nfs/dbraw/zinc/44/68/34/387446834.db2.gz	IWBUSEYLOCJZRD-PHIMTYICSA-N	0	1	248.330	0.826	20	30		BCEDMN
C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cn[nH]c1	ZINC000526136009	387448423	/nfs/dbraw/zinc/44/84/23/387448423.db2.gz	ISOOCCSLXDVLCV-SECBINFHSA-N	0	1	247.302	0.623	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000273533074	387460389	/nfs/dbraw/zinc/46/03/89/387460389.db2.gz	WSQCABVTNJILNK-NXEZZACHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCOC1	ZINC000267445399	387411242	/nfs/dbraw/zinc/41/12/42/387411242.db2.gz	PYYHKMWKDXMXKF-GHMZBOCLSA-N	0	1	224.304	0.093	20	30		BCEDMN
CC#CCCN1CCN(C(C)=O)C[C@@H]1C	ZINC000274110346	387495889	/nfs/dbraw/zinc/49/58/89/387495889.db2.gz	VUFKAXOXGYKCRX-NSHDSACASA-N	0	1	208.305	0.952	20	30		BCEDMN
C=C(C)CNC(=O)NC[C@H]1CN(C)CCN1C	ZINC000274984125	387498726	/nfs/dbraw/zinc/49/87/26/387498726.db2.gz	BVGZIYUERAUVCM-NSHDSACASA-N	0	1	240.351	0.108	20	30		BCEDMN
C=C(C)CCN1CCC[C@H](O)[C@@H]1C(=O)OC	ZINC000275679329	387512969	/nfs/dbraw/zinc/51/29/69/387512969.db2.gz	ZSLJWEHLJTVNNC-WDEREUQCSA-N	0	1	227.304	0.951	20	30		BCEDMN
CC#CCCN1CCC(O)(C(=O)OC)CC1	ZINC000274203340	387466485	/nfs/dbraw/zinc/46/64/85/387466485.db2.gz	UVMIAYISNFNNRM-UHFFFAOYSA-N	0	1	225.288	0.400	20	30		BCEDMN
C=CCCn1cc(C(=O)N2CCNC[C@H]2C)nn1	ZINC000424058350	387471712	/nfs/dbraw/zinc/47/17/12/387471712.db2.gz	KURFFAAXIGBAOZ-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCNC[C@@H]1C	ZINC000424059486	387472967	/nfs/dbraw/zinc/47/29/67/387472967.db2.gz	NIPOGPFGHSFWGH-TUAOUCFPSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CCN(CC)C(=O)CCCCc1cn[nH]n1	ZINC000274405781	387476191	/nfs/dbraw/zinc/47/61/91/387476191.db2.gz	UFHUCPNDEOGYCU-UHFFFAOYSA-N	0	1	234.303	0.999	20	30		BCEDMN
C=C(C)CCN1CCN(C(=O)[C@@H](C)O)CC1	ZINC000274808861	387476822	/nfs/dbraw/zinc/47/68/22/387476822.db2.gz	HGCCTNMFVRBEPQ-LLVKDONJSA-N	0	1	226.320	0.478	20	30		BCEDMN
C=CCCn1cc(C(=O)N2CCN[C@H](C)C2)nn1	ZINC000424081005	387482004	/nfs/dbraw/zinc/48/20/04/387482004.db2.gz	USBRRMFBPVTVSM-SNVBAGLBSA-N	0	1	249.318	0.288	20	30		BCEDMN
C#CCN(Cc1n[nH]c(CC)n1)C1CC1	ZINC000274609539	387482123	/nfs/dbraw/zinc/48/21/23/387482123.db2.gz	NTVWKWFGPGOPOK-UHFFFAOYSA-N	0	1	204.277	0.965	20	30		BCEDMN
C=C(C)CCN1CCN(C(=O)COC)CC1	ZINC000274730292	387492087	/nfs/dbraw/zinc/49/20/87/387492087.db2.gz	BSEMIINUNXIJQA-UHFFFAOYSA-N	0	1	226.320	0.743	20	30		BCEDMN
CNC(=O)[C@@]1(C)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000430270577	387605458	/nfs/dbraw/zinc/60/54/58/387605458.db2.gz	RYSGNHHXTOCNGA-YPMHNXCESA-N	0	1	248.330	0.888	20	30		BCEDMN
C=CCCS(=O)(=O)NC[C@H](C)N(C)C	ZINC000451926788	387681175	/nfs/dbraw/zinc/68/11/75/387681175.db2.gz	IENCNQALTGCWSC-VIFPVBQESA-N	0	1	220.338	0.432	20	30		BCEDMN
C=CCNC(=O)CN1CC(C)(C)[C@H]2COC[C@H]21	ZINC000452102962	387737258	/nfs/dbraw/zinc/73/72/58/387737258.db2.gz	HDLSXONRFSXDRR-WDEREUQCSA-N	0	1	238.331	0.645	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)CCOC)nn1	ZINC000424147148	387781806	/nfs/dbraw/zinc/78/18/06/387781806.db2.gz	XTMKBPURNWANSF-SNVBAGLBSA-N	0	1	224.308	0.979	20	30		BCEDMN
C=CCn1cc(CN[C@H]2CCO[C@H]2C)nn1	ZINC000424172097	387863781	/nfs/dbraw/zinc/86/37/81/387863781.db2.gz	NHYFSDAMPAANLA-ONGXEEELSA-N	0	1	222.292	0.731	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NC(=O)c2ccnc(CN)c2)C1	ZINC000424216175	387933405	/nfs/dbraw/zinc/93/34/05/387933405.db2.gz	HZVGSTCRZVJDKJ-GXSJLCMTSA-N	0	1	244.298	0.962	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](O)C1	ZINC000245501458	387951390	/nfs/dbraw/zinc/95/13/90/387951390.db2.gz	ATQASYILKRPARR-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCOCCCN1CC[C@@](F)(CO)C1	ZINC000338628821	135042656	/nfs/dbraw/zinc/04/26/56/135042656.db2.gz	WMLUXHQVURYRNE-NSHDSACASA-N	0	1	217.284	0.985	20	30		BCEDMN
C=CCOCCCC(=O)N1CCNCC1	ZINC000159392976	388011297	/nfs/dbraw/zinc/01/12/97/388011297.db2.gz	DRWZCFDWZCSZSM-UHFFFAOYSA-N	0	1	212.293	0.401	20	30		BCEDMN
CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1	ZINC000046601846	388034579	/nfs/dbraw/zinc/03/45/79/388034579.db2.gz	YLQFFJMNAMJXBV-GFCCVEGCSA-N	0	1	221.304	0.889	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CCC[C@@H]2CCOC2)c1=O	ZINC000592354422	388157242	/nfs/dbraw/zinc/15/72/42/388157242.db2.gz	WGXJOXTZDAHJHU-SECBINFHSA-N	0	1	249.270	0.225	20	30		BCEDMN
C=C[C@H](C)NC(=O)NCCN1CCCOCC1	ZINC000454681942	388129494	/nfs/dbraw/zinc/12/94/94/388129494.db2.gz	SPYPRSKVIAZFSB-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C#CCN(CC#CC)C(=O)CCc1cnc[nH]1	ZINC000490740039	388251981	/nfs/dbraw/zinc/25/19/81/388251981.db2.gz	MBWRNKDMQZLDDM-UHFFFAOYSA-N	0	1	229.283	0.827	20	30		BCEDMN
C#CC[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1	ZINC000490760521	388252666	/nfs/dbraw/zinc/25/26/66/388252666.db2.gz	NDCFCIODTHBDON-UHFFFAOYSA-N	0	1	222.248	0.746	20	30		BCEDMN
C#CCN1CCC(C(=O)OCCCOC)CC1	ZINC000490865534	388257077	/nfs/dbraw/zinc/25/70/77/388257077.db2.gz	DEEUAUTYRUUOPJ-UHFFFAOYSA-N	0	1	239.315	0.911	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@H](C)OC)CC1	ZINC000490893206	388258771	/nfs/dbraw/zinc/25/87/71/388258771.db2.gz	RWUCMCOKRDITIL-NSHDSACASA-N	0	1	239.315	0.910	20	30		BCEDMN
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)C#N)n[nH]1	ZINC000488996000	388200855	/nfs/dbraw/zinc/20/08/55/388200855.db2.gz	KCPWJXIRYFTDSM-HTQZYQBOSA-N	0	1	220.276	0.925	20	30		BCEDMN
C=CCCCS(=O)(=O)NCCN(C)CC	ZINC000489262281	388207052	/nfs/dbraw/zinc/20/70/52/388207052.db2.gz	ILHQJALVSSCORT-UHFFFAOYSA-N	0	1	234.365	0.824	20	30		BCEDMN
C=CCC[C@H](CO)NC(=O)[C@H]1CCCN1C	ZINC000456762683	388219078	/nfs/dbraw/zinc/21/90/78/388219078.db2.gz	CICRFORVBQAHFN-GHMZBOCLSA-N	0	1	226.320	0.524	20	30		BCEDMN
C=CCCCS(=O)(=O)N[C@@H](C)CN(C)C	ZINC000489875218	388227483	/nfs/dbraw/zinc/22/74/83/388227483.db2.gz	QZZHCFPFNKITIY-JTQLQIEISA-N	0	1	234.365	0.822	20	30		BCEDMN
C#CCN1CCC[C@H]1COC(=O)c1ccnn1C	ZINC000490614532	388243078	/nfs/dbraw/zinc/24/30/78/388243078.db2.gz	AESPJYHJGTYXNZ-NSHDSACASA-N	0	1	247.298	0.675	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)CC(C)(C)CO	ZINC000491299476	388283792	/nfs/dbraw/zinc/28/37/92/388283792.db2.gz	ZMVPYRGWXAXEDX-JTQLQIEISA-N	0	1	226.320	0.075	20	30		BCEDMN
C#CCN1CC[C@@H](CN2CCOC2=O)C1	ZINC000491299014	388284037	/nfs/dbraw/zinc/28/40/37/388284037.db2.gz	XUZAGJMKWIJBQP-SNVBAGLBSA-N	0	1	208.261	0.394	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)CN(C)[C@@H]1CCSC1	ZINC000491405410	388292398	/nfs/dbraw/zinc/29/23/98/388292398.db2.gz	IPSLDHMIFKRMNE-WDEREUQCSA-N	0	1	240.372	0.904	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CC(C)=C[C@@H](C)C2)C1=O	ZINC000491427319	388293719	/nfs/dbraw/zinc/29/37/19/388293719.db2.gz	KHDOGVWVUMGORO-PWSUYJOCSA-N	0	1	246.310	0.645	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CC(C)=C[C@H](C)C2)C1=O	ZINC000491427317	388294072	/nfs/dbraw/zinc/29/40/72/388294072.db2.gz	KHDOGVWVUMGORO-CMPLNLGQSA-N	0	1	246.310	0.645	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)[C@H](C)N1CC(C)C1	ZINC000491484739	388295149	/nfs/dbraw/zinc/29/51/49/388295149.db2.gz	KTEMTFISESKMSN-QWRGUYRKSA-N	0	1	208.305	0.807	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)COc1ccccc1	ZINC000491453913	388295711	/nfs/dbraw/zinc/29/57/11/388295711.db2.gz	UKTSRKWHLIAQOL-VXGBXAGGSA-N	0	1	235.283	0.010	20	30		BCEDMN
C#CCN(CC#CC)CC1(C(=O)OC)CC1	ZINC000491474517	388297009	/nfs/dbraw/zinc/29/70/09/388297009.db2.gz	NNBDJRXWCMMWSJ-UHFFFAOYSA-N	0	1	219.284	0.898	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=S)NC(C)C	ZINC000491663097	388309195	/nfs/dbraw/zinc/30/91/95/388309195.db2.gz	GRYIPJWJPOWORS-UHFFFAOYSA-N	0	1	227.377	0.814	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)CCc1nc[nH]n1	ZINC000491677189	388310227	/nfs/dbraw/zinc/31/02/27/388310227.db2.gz	XTNVZJFVBAYOOP-SECBINFHSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#CCNC(=O)N1CCNC[C@@H]1CCC	ZINC000491724929	388314818	/nfs/dbraw/zinc/31/48/18/388314818.db2.gz	GRKPGVLJRVIPRM-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccc(F)cc1F	ZINC000491724873	388314957	/nfs/dbraw/zinc/31/49/57/388314957.db2.gz	HFFZWQSYANEGNZ-JOYOIKCWSA-N	0	1	241.237	0.582	20	30		BCEDMN
C#CCN(CC)C(=O)[C@H](C)N1CC(C)C1	ZINC000491751217	388317800	/nfs/dbraw/zinc/31/78/00/388317800.db2.gz	KBFUYAIUZKWOOG-NSHDSACASA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCN(CC#N)C(=O)CN1CC[C@@H](C)C1	ZINC000491772755	388319235	/nfs/dbraw/zinc/31/92/35/388319235.db2.gz	UVYRTOIKJKERBI-LLVKDONJSA-N	0	1	219.288	0.314	20	30		BCEDMN
C#CCNC(=O)N1CCN(C)C[C@@H]1CC	ZINC000491808204	388322456	/nfs/dbraw/zinc/32/24/56/388322456.db2.gz	VOEZPTZSCUBDNC-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](CC)C1	ZINC000491810445	388322669	/nfs/dbraw/zinc/32/26/69/388322669.db2.gz	IMAZPHWLIYAMLB-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCCOC)CC1	ZINC000491814892	388323160	/nfs/dbraw/zinc/32/31/60/388323160.db2.gz	DRKWBYWMKJROSM-UHFFFAOYSA-N	0	1	240.303	0.026	20	30		BCEDMN
C#CCN1CCC(C(=O)NOCC(F)F)CC1	ZINC000490984379	388263814	/nfs/dbraw/zinc/26/38/14/388263814.db2.gz	DYJZNWGNMQQQJW-UHFFFAOYSA-N	0	1	246.257	0.645	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000491071117	388268070	/nfs/dbraw/zinc/26/80/70/388268070.db2.gz	IHXFJYORWATPDU-GRYCIOLGSA-N	0	1	237.347	0.149	20	30		BCEDMN
C#C[C@H](C)N(C)CC#CC[N@@H+](C)[C@@H](C)C#C	ZINC000491121368	388270997	/nfs/dbraw/zinc/27/09/97/388270997.db2.gz	QKKSHFFTNDXOSP-KBPBESRZSA-N	0	1	216.328	0.897	20	30		BCEDMN
C#CC(C)(C)N(C)C[C@@H]1CN(C)C(=O)O1	ZINC000491201759	388276247	/nfs/dbraw/zinc/27/62/47/388276247.db2.gz	JCSLOSACRHMKFK-VIFPVBQESA-N	0	1	210.277	0.781	20	30		BCEDMN
C=CCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000646581330	388389504	/nfs/dbraw/zinc/38/95/04/388389504.db2.gz	ANUNQDNEPPNXCG-SSDOTTSWSA-N	0	1	206.249	0.527	20	30		BCEDMN
C=C(C)[C@H](CO)N(CC)CC(=O)N(C)C	ZINC000649245396	388467764	/nfs/dbraw/zinc/46/77/64/388467764.db2.gz	AOQUDMDMQKKJLC-JTQLQIEISA-N	0	1	214.309	0.334	20	30		BCEDMN
Cn1ncc(C(=O)N2CCNC(C)(C)C2)c1C#N	ZINC000356326772	388607822	/nfs/dbraw/zinc/60/78/22/388607822.db2.gz	VSWHRKHKRYKDAQ-UHFFFAOYSA-N	0	1	247.302	0.116	20	30		BCEDMN
Cn1ncc(C(=O)Nc2ccncc2O)c1C#N	ZINC000356576652	388608296	/nfs/dbraw/zinc/60/82/96/388608296.db2.gz	GGTLIQGPTCVSHU-UHFFFAOYSA-N	0	1	243.226	0.067	20	30		BCEDMN
Cc1[nH]nc(NC(=O)CCc2cnc[nH]2)c1C#N	ZINC000357263908	388613101	/nfs/dbraw/zinc/61/31/01/388613101.db2.gz	VBOJEPRQAJDFIB-UHFFFAOYSA-N	0	1	244.258	0.884	20	30		BCEDMN
N#Cc1ccc(CN[C@@]2(CCO)CCOC2)o1	ZINC000447067542	388735359	/nfs/dbraw/zinc/73/53/59/388735359.db2.gz	INUFARBPMQDWRU-LBPRGKRZSA-N	0	1	236.271	0.782	20	30		BCEDMN
N#Cc1ccc(CN[C@@H](CO)[C@H]2CCCO2)o1	ZINC000447971716	388739703	/nfs/dbraw/zinc/73/97/03/388739703.db2.gz	MFLQUVJCPLATTA-NWDGAFQWSA-N	0	1	236.271	0.781	20	30		BCEDMN
C=C(CC)CN1CC[C@H](S(=O)(=O)NC)C1	ZINC000539114394	388748773	/nfs/dbraw/zinc/74/87/73/388748773.db2.gz	DKEXOBTWKDTCHX-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC([C@@H](C)O)CC1	ZINC000225782159	388690140	/nfs/dbraw/zinc/69/01/40/388690140.db2.gz	MTFNWLBPOBEFTL-GHMZBOCLSA-N	0	1	238.331	0.217	20	30		BCEDMN
CSCC[C@@H](C)[N@@H+](C)CC(=O)NCC#N	ZINC000126575351	388698536	/nfs/dbraw/zinc/69/85/36/388698536.db2.gz	DWJFIIGSXWNZLZ-SECBINFHSA-N	0	1	229.349	0.700	20	30		BCEDMN
CSCC[C@@H](C)N(C)CC(=O)NCC#N	ZINC000126575351	388698538	/nfs/dbraw/zinc/69/85/38/388698538.db2.gz	DWJFIIGSXWNZLZ-SECBINFHSA-N	0	1	229.349	0.700	20	30		BCEDMN
Cc1ccc(C#N)c(N(C)Cc2n[nH]c(=O)o2)n1	ZINC000425286951	388703151	/nfs/dbraw/zinc/70/31/51/388703151.db2.gz	VHBMQOWCEJMKPR-UHFFFAOYSA-N	0	1	245.242	0.987	20	30		BCEDMN
N#Cc1ccccc1CN1C[C@@H](CO)[C@H](CO)C1	ZINC000528602234	388707757	/nfs/dbraw/zinc/70/77/57/388707757.db2.gz	HPZRIBTVBXCXPW-KBPBESRZSA-N	0	1	246.310	0.591	20	30		BCEDMN
CN(C)CC(=O)N(CC#N)C1CCCC1	ZINC000230107099	388815526	/nfs/dbraw/zinc/81/55/26/388815526.db2.gz	XWYROTRECKSSDX-UHFFFAOYSA-N	0	1	209.293	0.843	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2cc(C#N)ncn2)CCN1C	ZINC000555804964	388824439	/nfs/dbraw/zinc/82/44/39/388824439.db2.gz	YQOSGJJUGAILNR-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#CCC1CCN([C@@H]2CCNC2=O)CC1	ZINC000541024783	388837070	/nfs/dbraw/zinc/83/70/70/388837070.db2.gz	QGHHLONRPUITGD-SNVBAGLBSA-N	0	1	207.277	0.501	20	30		BCEDMN
COC(=O)[C@](C)(NC(=O)C(C)C#N)C1CC1	ZINC000565573367	388954235	/nfs/dbraw/zinc/95/42/35/388954235.db2.gz	LEVVYQWIITZENB-WRWORJQWSA-N	0	1	224.260	0.604	20	30		BCEDMN
CSC[C@@H](O)CNCC1(C#N)CCC1	ZINC000566004977	388982503	/nfs/dbraw/zinc/98/25/03/388982503.db2.gz	MKFVQHXBYNVSEN-VIFPVBQESA-N	0	1	214.334	0.994	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000185986775	533231507	/nfs/dbraw/zinc/23/15/07/533231507.db2.gz	MCRQPYAGFYNQNW-RKDXNWHRSA-N	0	1	217.272	0.968	20	30		BCEDMN
C#C[C@@H](C)NCc1cnc(-c2cnn(C)c2)nc1	ZINC000377617220	533234464	/nfs/dbraw/zinc/23/44/64/533234464.db2.gz	AGPKFTZSLFHXFV-SNVBAGLBSA-N	0	1	241.298	0.988	20	30		BCEDMN
C=C(C)CCN(C)[C@@H](COC)C(N)=O	ZINC000339356708	533485820	/nfs/dbraw/zinc/48/58/20/533485820.db2.gz	JEOLVAKKNUUINA-VIFPVBQESA-N	0	1	200.282	0.385	20	30		BCEDMN
C=C(C)CN1CC[C@H]2OCC(=O)N[C@H]2C1	ZINC000366777824	533513635	/nfs/dbraw/zinc/51/36/35/533513635.db2.gz	OOSWUJHBTPZNRJ-VHSXEESVSA-N	0	1	210.277	0.152	20	30		BCEDMN
CC(=O)N1CC(C(=O)NCCN2CCC2)C1	ZINC000329962865	133992231	/nfs/dbraw/zinc/99/22/31/133992231.db2.gz	SXPYLVDTNXNLIE-UHFFFAOYSA-N	0	1	225.292	0.127	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N[C@H](C#N)C1CC1	ZINC000335973335	134030394	/nfs/dbraw/zinc/03/03/94/134030394.db2.gz	GFKCMUYIEZHMOE-NXEZZACHSA-N	0	1	207.277	0.499	20	30		BCEDMN
C=CCOCC(=O)N1C[C@@H](C)N(C)C[C@H]1C	ZINC000352008073	134035055	/nfs/dbraw/zinc/03/50/55/134035055.db2.gz	ZSJWJWWMMFNUSF-GHMZBOCLSA-N	0	1	226.320	0.740	20	30		BCEDMN
C=CCOCC(=O)N1C[C@H](C)N(C)C[C@@H]1C	ZINC000352008075	134035285	/nfs/dbraw/zinc/03/52/85/134035285.db2.gz	ZSJWJWWMMFNUSF-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)c1[nH]nc2c1CCC2	ZINC000336146853	134102744	/nfs/dbraw/zinc/10/27/44/134102744.db2.gz	IAIIRXDRSJLQNJ-ZETCQYMHSA-N	0	1	218.260	0.788	20	30		BCEDMN
C=CCNC(=O)CN(C)C1CC(OC)C1	ZINC000352212547	134108205	/nfs/dbraw/zinc/10/82/05/134108205.db2.gz	QWBLRKLFOOZSQL-UHFFFAOYSA-N	0	1	212.293	0.398	20	30		BCEDMN
CN(C)C1CN(C(=O)c2ccc(C#N)n2C)C1	ZINC000336203132	134131134	/nfs/dbraw/zinc/13/11/34/134131134.db2.gz	JQLWZDSAFBZJRP-UHFFFAOYSA-N	0	1	232.287	0.283	20	30		BCEDMN
CN(C)C(=O)CN(C)[C@@H]1CC[C@H](C#N)C1	ZINC000336327862	134143806	/nfs/dbraw/zinc/14/38/06/134143806.db2.gz	YMAXLZNYRVMUKN-VHSXEESVSA-N	0	1	209.293	0.699	20	30		BCEDMN
N#C[C@H](NC(=O)CCCCc1cn[nH]n1)C1CC1	ZINC000352440784	134145287	/nfs/dbraw/zinc/14/52/87/134145287.db2.gz	PYZKDVQXOZQTBL-NSHDSACASA-N	0	1	247.302	0.936	20	30		BCEDMN
C=C(C)CN1CCC(S(N)(=O)=O)CC1	ZINC000336552634	134149479	/nfs/dbraw/zinc/14/94/79/134149479.db2.gz	MJWKCPIKRLDAPK-UHFFFAOYSA-N	0	1	218.322	0.315	20	30		BCEDMN
N#CC1(C(=O)N2CCN3CCC2CC3)CCC1	ZINC000336630046	134152402	/nfs/dbraw/zinc/15/24/02/134152402.db2.gz	ZTQYKJXQERDUKK-UHFFFAOYSA-N	0	1	233.315	0.987	20	30		BCEDMN
CO[C@H](C)CN(C)CC(=O)NC1(C#N)CCC1	ZINC000353253205	134162712	/nfs/dbraw/zinc/16/27/12/134162712.db2.gz	KWMQBGZEMJUMOD-SNVBAGLBSA-N	0	1	239.319	0.516	20	30		BCEDMN
N#CCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000357934075	134186151	/nfs/dbraw/zinc/18/61/51/134186151.db2.gz	KNENRZLDYWLYKF-VIFPVBQESA-N	0	1	247.302	0.870	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@@]2(C#N)CCOC2)c1C	ZINC000358439961	134188035	/nfs/dbraw/zinc/18/80/35/134188035.db2.gz	CLVPCQKIZCVVDW-LLVKDONJSA-N	0	1	234.259	0.439	20	30		BCEDMN
N#CCc1cccc(C(=O)NCc2nnc[nH]2)c1	ZINC000358573562	134190606	/nfs/dbraw/zinc/19/06/06/134190606.db2.gz	SHRXONGRICOGGK-UHFFFAOYSA-N	0	1	241.254	0.801	20	30		BCEDMN
C=CCC[C@H](O)CN1C[C@H](CO)OC[C@H]1C	ZINC000361677153	134207384	/nfs/dbraw/zinc/20/73/84/134207384.db2.gz	DUJSWDPFERMVFC-GRYCIOLGSA-N	0	1	229.320	0.395	20	30		BCEDMN
C#CCCN1CC[C@@H](S(=O)(=O)NCC)C1	ZINC000367501793	134215538	/nfs/dbraw/zinc/21/55/38/134215538.db2.gz	BNNKLGAYDNKLLS-SNVBAGLBSA-N	0	1	230.333	0.023	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2C[C@H]2c2nc[nH]n2)=NO1	ZINC000367785277	134216241	/nfs/dbraw/zinc/21/62/41/134216241.db2.gz	QRTCBNJRUIBWDC-FSDSQADBSA-N	0	1	235.247	0.147	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@H]1C[C@H]1c1nc[nH]n1	ZINC000367963572	134216771	/nfs/dbraw/zinc/21/67/71/134216771.db2.gz	MPFGFTWGDKCLQC-ZJUUUORDSA-N	0	1	228.255	0.003	20	30		BCEDMN
C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1	ZINC000367963565	134216900	/nfs/dbraw/zinc/21/69/00/134216900.db2.gz	MPFGFTWGDKCLQC-NXEZZACHSA-N	0	1	228.255	0.003	20	30		BCEDMN
CC#CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	ZINC000368976529	134221218	/nfs/dbraw/zinc/22/12/18/134221218.db2.gz	WXUZDFJATLJLCZ-GARJFASQSA-N	0	1	206.289	0.596	20	30		BCEDMN
C=C(C)CN1CCC[C@@H](S(=O)(=O)NC)C1	ZINC000369288340	134222288	/nfs/dbraw/zinc/22/22/88/134222288.db2.gz	PRGUTNVHWDYOKB-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
N#CCCCCN1CCN2C(=O)CC[C@@H]2C1	ZINC000168506800	134225049	/nfs/dbraw/zinc/22/50/49/134225049.db2.gz	FEWDFVHWECGVEB-LLVKDONJSA-N	0	1	221.304	0.987	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000300271328	134228323	/nfs/dbraw/zinc/22/83/23/134228323.db2.gz	IQGIHMLNLWSHGV-ONGXEEELSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000300271328	134228324	/nfs/dbraw/zinc/22/83/24/134228324.db2.gz	IQGIHMLNLWSHGV-ONGXEEELSA-N	0	1	240.303	0.474	20	30		BCEDMN
C=CCCS(=O)(=O)NCCN(CC)C1CC1	ZINC000120202858	134228637	/nfs/dbraw/zinc/22/86/37/134228637.db2.gz	TUTNVZWCAZQPJJ-UHFFFAOYSA-N	0	1	246.376	0.966	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1	ZINC000373193122	134233842	/nfs/dbraw/zinc/23/38/42/134233842.db2.gz	XSRFJTPQBUEMPW-UTLUCORTSA-N	0	1	247.302	0.916	20	30		BCEDMN
C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1)C(C)C	ZINC000374164649	134235907	/nfs/dbraw/zinc/23/59/07/134235907.db2.gz	SHTFAANEEHNDJM-AEJSXWLSSA-N	0	1	232.287	0.682	20	30		BCEDMN
C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000374754016	134237899	/nfs/dbraw/zinc/23/78/99/134237899.db2.gz	MVOCATARLPPNGQ-XHNCKOQMSA-N	0	1	220.276	0.989	20	30		BCEDMN
CCN(CC(=O)N1CCOC[C@H]1C#N)C1CC1	ZINC000179176647	134317945	/nfs/dbraw/zinc/31/79/45/134317945.db2.gz	RPMZZJPFBCDDAP-LLVKDONJSA-N	0	1	237.303	0.222	20	30		BCEDMN
Cc1nc([C@@H]2CN(CC3(C#N)CC3)CCO2)n[nH]1	ZINC000408109172	134394469	/nfs/dbraw/zinc/39/44/69/134394469.db2.gz	DSDBPGQOAHIYIX-JTQLQIEISA-N	0	1	247.302	0.790	20	30		BCEDMN
C=CCN1CC[C@H](N[C@@](C)(CC)C(N)=O)C1=O	ZINC000337189389	135003765	/nfs/dbraw/zinc/00/37/65/135003765.db2.gz	RMGNEPYNRHHVAN-CABZTGNLSA-N	0	1	239.319	0.017	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C2CC(O)C2)C1=O	ZINC000337201866	135005548	/nfs/dbraw/zinc/00/55/48/135005548.db2.gz	GJJBOZNJDDMNHW-VQXHTEKXSA-N	0	1	224.304	0.228	20	30		BCEDMN
CCC(CC)(NC(=O)C(C)C#N)C(=O)OC	ZINC000338298349	135034040	/nfs/dbraw/zinc/03/40/40/135034040.db2.gz	CGFQYUGKGPZQTG-QMMMGPOBSA-N	0	1	226.276	0.994	20	30		BCEDMN
C=CCOCCN(C)[C@H](C)C[S@@](C)=O	ZINC000339082359	135056755	/nfs/dbraw/zinc/05/67/55/135056755.db2.gz	CYPQUQKZYBAPFS-QMTHXVAHSA-N	0	1	219.350	0.888	20	30		BCEDMN
N#C[C@@H]1CC[C@H](N2CCN3CCOC[C@@H]3C2)C1	ZINC000339088445	135057141	/nfs/dbraw/zinc/05/71/41/135057141.db2.gz	LNXBWXDMRUGENM-AGIUHOORSA-N	0	1	235.331	0.695	20	30		BCEDMN
C[C@]1(C(N)=O)CCCC[N@H+]1CCOCCC#N	ZINC000339090278	135058472	/nfs/dbraw/zinc/05/84/72/135058472.db2.gz	VNTGOTXESTYAQM-GFCCVEGCSA-N	0	1	239.319	0.647	20	30		BCEDMN
C[C@]1(C(N)=O)CCCCN1CCOCCC#N	ZINC000339090278	135058474	/nfs/dbraw/zinc/05/84/74/135058474.db2.gz	VNTGOTXESTYAQM-GFCCVEGCSA-N	0	1	239.319	0.647	20	30		BCEDMN
C=CCOCCN1CC[N@H+](CCO)[C@@H](C)C1	ZINC000339098985	135060293	/nfs/dbraw/zinc/06/02/93/135060293.db2.gz	HIBBHMXAOXPWBO-LBPRGKRZSA-N	0	1	228.336	0.187	20	30		BCEDMN
CCN(CCOCCC#N)[C@H]1CCNC1=O	ZINC000339154684	135063072	/nfs/dbraw/zinc/06/30/72/135063072.db2.gz	BLDLDGGYCJKCTN-JTQLQIEISA-N	0	1	225.292	0.127	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C(=O)NCC)C(C)C	ZINC000339326223	135070563	/nfs/dbraw/zinc/07/05/63/135070563.db2.gz	DCWJMZFRCYQMTE-LLVKDONJSA-N	0	1	241.335	0.039	20	30		BCEDMN
COC[C@H](C(N)=O)N(C)CCCC(C)(C)C#N	ZINC000339363836	135071537	/nfs/dbraw/zinc/07/15/37/135071537.db2.gz	ZPCIARJDQQPYIJ-SNVBAGLBSA-N	0	1	241.335	0.748	20	30		BCEDMN
C=CCOCC(=O)N1[C@H](C)CN(C)C[C@@H]1C	ZINC000339475673	135073906	/nfs/dbraw/zinc/07/39/06/135073906.db2.gz	ZTTGDZNWHNFSKY-PHIMTYICSA-N	0	1	226.320	0.740	20	30		BCEDMN
CCN(CC(=O)NC1(C#N)CCC1)[C@@H](C)CO	ZINC000339633584	135076403	/nfs/dbraw/zinc/07/64/03/135076403.db2.gz	RMUBPIFTBUDIMD-JTQLQIEISA-N	0	1	239.319	0.252	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C)[C@H](OC)C1	ZINC000251777222	135078197	/nfs/dbraw/zinc/07/81/97/135078197.db2.gz	LFUDBXKZCFCWOT-GHMZBOCLSA-N	0	1	226.320	0.645	20	30		BCEDMN
N#Cc1csc(CNCC(=O)NC2CC2)c1	ZINC000086500174	135087174	/nfs/dbraw/zinc/08/71/74/135087174.db2.gz	WMIRTXATPYCBFG-UHFFFAOYSA-N	0	1	235.312	0.988	20	30		BCEDMN
CNC(=O)[C@H](C)NCc1cc(C#N)cs1	ZINC000086500203	135087523	/nfs/dbraw/zinc/08/75/23/135087523.db2.gz	OWWFUKIGMVUWIO-ZETCQYMHSA-N	0	1	223.301	0.844	20	30		BCEDMN
Cc1cc(C(=O)N2CCSC[C@H]2C#N)n[nH]1	ZINC000259910965	135106542	/nfs/dbraw/zinc/10/65/42/135106542.db2.gz	PXEJFVWUFPVXBN-MRVPVSSYSA-N	0	1	236.300	0.799	20	30		BCEDMN
CN(C)CC(=O)N(CCC#N)Cc1cccnc1	ZINC000263892392	135128687	/nfs/dbraw/zinc/12/86/87/135128687.db2.gz	LKLANBIEJGCMER-UHFFFAOYSA-N	0	1	246.314	0.885	20	30		BCEDMN
Cc1cc(CC(=O)N[C@H](C)CC#N)[nH]n1	ZINC000260061739	135147143	/nfs/dbraw/zinc/14/71/43/135147143.db2.gz	PMWVNBQIUGDVGF-SSDOTTSWSA-N	0	1	206.249	0.679	20	30		BCEDMN
Cc1nnc(SCC(=O)N[C@H](C)CC#N)[nH]1	ZINC000266817398	135149645	/nfs/dbraw/zinc/14/96/45/135149645.db2.gz	HFBLJBXDFRMMPI-ZCFIWIBFSA-N	0	1	239.304	0.624	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N[C@H](C)CC#N)n1	ZINC000266817398	135149647	/nfs/dbraw/zinc/14/96/47/135149647.db2.gz	HFBLJBXDFRMMPI-ZCFIWIBFSA-N	0	1	239.304	0.624	20	30		BCEDMN
C=CCN(CCC#N)C(=O)Cc1ccn[nH]1	ZINC000293937084	135184668	/nfs/dbraw/zinc/18/46/68/135184668.db2.gz	UNFXUQYMHNTEEG-UHFFFAOYSA-N	0	1	218.260	0.880	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN1CCC[C@H](O)C1	ZINC000042975611	135222932	/nfs/dbraw/zinc/22/29/32/135222932.db2.gz	OLVWAEMULZUBOT-LBPRGKRZSA-N	0	1	238.331	0.644	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N(C)CC=C	ZINC000121568736	135225584	/nfs/dbraw/zinc/22/55/84/135225584.db2.gz	VSFFPRMKVHKVEL-VIFPVBQESA-N	0	1	225.292	0.505	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CCC[C@@H]1CO	ZINC000303253943	135228998	/nfs/dbraw/zinc/22/89/98/135228998.db2.gz	DNCSVSTUHDSZHG-LLVKDONJSA-N	0	1	239.319	0.205	20	30		BCEDMN
CCN(CCC#N)C(=O)CN1CC[C@@H](CO)C1	ZINC000304319056	135243350	/nfs/dbraw/zinc/24/33/50/135243350.db2.gz	SCPNNLUHHHUHFU-LLVKDONJSA-N	0	1	239.319	0.063	20	30		BCEDMN
COC(=O)[C@H](CC(F)F)NC(=O)C(C)C#N	ZINC000342532667	135280001	/nfs/dbraw/zinc/28/00/01/135280001.db2.gz	YYZILTRSVRENQF-WDSKDSINSA-N	0	1	234.202	0.459	20	30		BCEDMN
COC[C@H](C)NC(=[NH2+])NCc1ncccc1[O-]	ZINC000262456323	135300109	/nfs/dbraw/zinc/30/01/09/135300109.db2.gz	LFZARFQNSCLPLE-QMMMGPOBSA-N	0	1	238.291	0.226	20	30		BCEDMN
C=CCCN(C)CC(=O)Nc1ccncc1	ZINC000342726841	135315490	/nfs/dbraw/zinc/31/54/90/135315490.db2.gz	AATOCAXAIXGUCE-UHFFFAOYSA-N	0	1	219.288	0.950	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCN(C)CC[C@@H]1C	ZINC000334166555	135323474	/nfs/dbraw/zinc/32/34/74/135323474.db2.gz	AQJIULIILQCLQG-ZJUUUORDSA-N	0	1	209.293	0.699	20	30		BCEDMN
N#Cc1ccc(C(=O)N2CCN3CCC2CC3)[nH]1	ZINC000334310209	135351074	/nfs/dbraw/zinc/35/10/74/135351074.db2.gz	FYRXKHTWGOJEGV-UHFFFAOYSA-N	0	1	244.298	0.807	20	30		BCEDMN
N#CC1CCN([C@H]2CCCCNC2=O)CC1	ZINC000079840997	135363429	/nfs/dbraw/zinc/36/34/29/135363429.db2.gz	ZRLQPOPUQSGKIA-NSHDSACASA-N	0	1	221.304	0.891	20	30		BCEDMN
CC#CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000334367673	135374657	/nfs/dbraw/zinc/37/46/57/135374657.db2.gz	RJLZCODQLNMFPT-CABCVRRESA-N	0	1	249.402	0.968	20	30		BCEDMN
COCCOCCN1CCC(C#N)CC1	ZINC000079840794	135397272	/nfs/dbraw/zinc/39/72/72/135397272.db2.gz	LWSCKARNZVBBBQ-UHFFFAOYSA-N	0	1	212.293	0.885	20	30		BCEDMN
CN(Cc1nnc[nH]1)C(=O)c1cccc(C#N)c1	ZINC000080522589	135414191	/nfs/dbraw/zinc/41/41/91/135414191.db2.gz	USCIWPWMVJKJPB-UHFFFAOYSA-N	0	1	241.254	0.949	20	30		BCEDMN
Cc1nc([C@@H](C)Nc2cnc(C#N)cn2)n[nH]1	ZINC000343995776	135456539	/nfs/dbraw/zinc/45/65/39/135456539.db2.gz	ZWZUEFLRIZMAND-ZCFIWIBFSA-N	0	1	229.247	0.948	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC1	ZINC000332780958	397766763	/nfs/dbraw/zinc/76/67/63/397766763.db2.gz	VBVVSNZTRSMEEW-LDYMZIIASA-N	0	1	245.286	0.328	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC1	ZINC000332780958	397766769	/nfs/dbraw/zinc/76/67/69/397766769.db2.gz	VBVVSNZTRSMEEW-LDYMZIIASA-N	0	1	245.286	0.328	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)CCc2nn[nH]n2)C1	ZINC000601432769	397889982	/nfs/dbraw/zinc/88/99/82/397889982.db2.gz	YPBCVDSIZPLCTM-LLVKDONJSA-N	0	1	248.290	0.285	20	30		BCEDMN
C[C@@H](C(=O)N[C@@H](C#N)CO)N1CCCCCC1	ZINC000597746049	398017421	/nfs/dbraw/zinc/01/74/21/398017421.db2.gz	HOCYYZLWJLASCN-QWRGUYRKSA-N	0	1	239.319	0.252	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@H]1CCCN1C	ZINC000490701381	398027805	/nfs/dbraw/zinc/02/78/05/398027805.db2.gz	WBKKVFOTTIPBPY-GFCCVEGCSA-N	0	1	218.300	0.566	20	30		BCEDMN
CCC#C[C@@H](C)N1CCN2CCOC[C@@H]2C1	ZINC000680431130	487593239	/nfs/dbraw/zinc/59/32/39/487593239.db2.gz	ZPUURSDGGZRXCY-OLZOCXBDSA-N	0	1	222.332	0.805	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C	ZINC000680464192	487599768	/nfs/dbraw/zinc/59/97/68/487599768.db2.gz	XZVWYWGDRQSSOT-WDEREUQCSA-N	0	1	226.320	0.524	20	30		BCEDMN
C#CCCCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1	ZINC000274764684	166121569	/nfs/dbraw/zinc/12/15/69/166121569.db2.gz	KFXALCFGWQQHIS-SNVBAGLBSA-N	0	1	249.318	0.955	20	30		BCEDMN
C=CCOCCNC(=O)c1coc(CN)c1	ZINC000662712747	409863069	/nfs/dbraw/zinc/86/30/69/409863069.db2.gz	TUUJSNMDIZZUTL-UHFFFAOYSA-N	0	1	224.260	0.671	20	30		BCEDMN
C=CCCNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000665944022	487613794	/nfs/dbraw/zinc/61/37/94/487613794.db2.gz	CTQARTRLAWNZID-SSDOTTSWSA-N	0	1	209.253	0.741	20	30		BCEDMN
C#CCN(CC#C)C(=O)c1cc(CC)[nH]n1	ZINC000175702761	166162168	/nfs/dbraw/zinc/16/21/68/166162168.db2.gz	ALAIETFFHDPHAU-UHFFFAOYSA-N	0	1	215.256	0.681	20	30		BCEDMN
C#CCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000178464286	166178662	/nfs/dbraw/zinc/17/86/62/166178662.db2.gz	ZYLFSMHWUUVTDN-QMMMGPOBSA-N	0	1	220.276	0.582	20	30		BCEDMN
C#CCN[C@@H](Cc1ccccc1)C(N)=O	ZINC000273349482	166191434	/nfs/dbraw/zinc/19/14/34/166191434.db2.gz	ARAZEMWOARKTII-NSHDSACASA-N	0	1	202.257	0.306	20	30		BCEDMN
C#CCSCCNCN1CCC(=O)CC1	ZINC000273076059	166203041	/nfs/dbraw/zinc/20/30/41/166203041.db2.gz	LNEWMLSHGKQFQM-UHFFFAOYSA-N	0	1	226.345	0.565	20	30		BCEDMN
C=CCCCN1CCC[C@@H](O)[C@@H]1C(=O)OC	ZINC000189595054	166234209	/nfs/dbraw/zinc/23/42/09/166234209.db2.gz	LZZPTKCEBHNAPR-GHMZBOCLSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CCCCN1CCO[C@@H](C(=O)NC)C1	ZINC000272840255	166234774	/nfs/dbraw/zinc/23/47/74/166234774.db2.gz	INUZRJJXTUQKOM-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCC[C@H](O)CN1CC(O)(C2CC2)C1	ZINC000375468073	166304594	/nfs/dbraw/zinc/30/45/94/166304594.db2.gz	KEIDSEPJXVNSHG-NSHDSACASA-N	0	1	211.305	0.770	20	30		BCEDMN
C=CCN(CC=C)C(=O)CN(C)CCCO	ZINC000281865348	166327797	/nfs/dbraw/zinc/32/77/97/166327797.db2.gz	OMHWFXCOCCOEIO-UHFFFAOYSA-N	0	1	226.320	0.501	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](NC)c1cnn(C)c1	ZINC000262292693	166331971	/nfs/dbraw/zinc/33/19/71/166331971.db2.gz	YRRXMEBIIANCOI-GFCCVEGCSA-N	0	1	248.330	0.881	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](COC)C1	ZINC000265749809	166382743	/nfs/dbraw/zinc/38/27/43/166382743.db2.gz	FEPMFZYQFXUVOF-GHMZBOCLSA-N	0	1	226.320	0.645	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(O)C1	ZINC000178005468	166383148	/nfs/dbraw/zinc/38/31/48/166383148.db2.gz	LTCGOZUYPJTOFD-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=CCOCCn1cc(CNC2CC2)nn1	ZINC000052598972	411163054	/nfs/dbraw/zinc/16/30/54/411163054.db2.gz	GGJQSZCFWSVHGL-UHFFFAOYSA-N	0	1	222.292	0.733	20	30		BCEDMN
N#Cc1cccc(C(=O)NCc2nn[nH]n2)c1	ZINC000044926986	411142486	/nfs/dbraw/zinc/14/24/86/411142486.db2.gz	FFIPOQUGUODEDI-UHFFFAOYSA-N	0	1	228.215	0.001	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)S2	ZINC000599552872	411278389	/nfs/dbraw/zinc/27/83/89/411278389.db2.gz	KBJMWFRGRNKOLC-ZJUUUORDSA-N	0	1	239.344	0.596	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCc1ccccc1	ZINC000662165644	411370571	/nfs/dbraw/zinc/37/05/71/411370571.db2.gz	MHFKZFXXAHLORB-GFCCVEGCSA-N	0	1	234.299	0.439	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)N[C@@H](C)CCC	ZINC000662165795	411371060	/nfs/dbraw/zinc/37/10/60/411371060.db2.gz	OZFIGPOHPDUDOM-HBNTYKKESA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCCn2nccc21	ZINC000658334607	411343252	/nfs/dbraw/zinc/34/32/52/411343252.db2.gz	OGBZQOGDDLPOAA-ZJUUUORDSA-N	0	1	207.277	0.855	20	30		BCEDMN
C=CCOCC[N@@H+]1CC2CC1(C(=O)[O-])C2	ZINC000656761462	411347494	/nfs/dbraw/zinc/34/74/94/411347494.db2.gz	TVHTYAQYKZHYEV-UHFFFAOYSA-N	0	1	211.261	0.738	20	30		BCEDMN
C=CCOCCNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000654990627	411471553	/nfs/dbraw/zinc/47/15/53/411471553.db2.gz	QCBKQUWDTOLZIG-JTQLQIEISA-N	0	1	237.303	0.907	20	30		BCEDMN
C=CCCn1cc(CN[C@H](CO)CC=C)nn1	ZINC000657437405	411510706	/nfs/dbraw/zinc/51/07/06/411510706.db2.gz	ZCVHFIXGJFNYSA-NSHDSACASA-N	0	1	236.319	0.881	20	30		BCEDMN
C=CCCn1cc(CNC[C@@H](C)CO)nn1	ZINC000657327652	411466577	/nfs/dbraw/zinc/46/65/77/411466577.db2.gz	LWLMAEGOJSSPGD-SNVBAGLBSA-N	0	1	224.308	0.572	20	30		BCEDMN
CCNC(=O)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000232314092	170094714	/nfs/dbraw/zinc/09/47/14/170094714.db2.gz	MPEDNSCKWLKSQP-VIFPVBQESA-N	0	1	234.303	0.511	20	30		BCEDMN
COCc1nc(CNc2ccc(C#N)cn2)n[nH]1	ZINC000596435456	411659975	/nfs/dbraw/zinc/65/99/75/411659975.db2.gz	DGGYLSHZJBJRNI-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
COCc1nnc(CNc2ccc(C#N)cn2)[nH]1	ZINC000596435456	411659981	/nfs/dbraw/zinc/65/99/81/411659981.db2.gz	DGGYLSHZJBJRNI-UHFFFAOYSA-N	0	1	244.258	0.830	20	30		BCEDMN
CNC(=O)N[C@H]1CCN(Cc2ccnc(N)c2)C1	ZINC000331111836	411849220	/nfs/dbraw/zinc/84/92/20/411849220.db2.gz	BZWLHBAXUCMAQY-JTQLQIEISA-N	0	1	249.318	0.372	20	30		BCEDMN
C=CC[C@@H](CO)Nc1nc(N)nc2c1CCCC2	ZINC000645211453	411853144	/nfs/dbraw/zinc/85/31/44/411853144.db2.gz	IOAGWVMMYXSVEF-VIFPVBQESA-N	0	1	248.330	0.708	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C)O[C@@H](C)C1	ZINC000661857253	411905925	/nfs/dbraw/zinc/90/59/25/411905925.db2.gz	RNMAKPBAAVAADV-MNOVXSKESA-N	0	1	226.320	0.788	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NC(C)(C)CC	ZINC000662165618	412014346	/nfs/dbraw/zinc/01/43/46/412014346.db2.gz	LGXAQWWFYOZVDD-NXEZZACHSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N[C@@H](C)CC	ZINC000662165580	412014525	/nfs/dbraw/zinc/01/45/25/412014525.db2.gz	JPZPZGDUZCQILE-LPEHRKFASA-N	0	1	214.309	0.426	20	30		BCEDMN
C=CCN1CC[C@H]([N@H+](CC)[C@@H](C)C(=O)[O-])C1=O	ZINC000662214213	412027360	/nfs/dbraw/zinc/02/73/60/412027360.db2.gz	DQRMQVFXZJLBKC-UWVGGRQHSA-N	0	1	240.303	0.568	20	30		BCEDMN
C=CCN1CC[C@H]([N@@H+](CC)[C@@H](C)C(=O)[O-])C1=O	ZINC000662214213	412027362	/nfs/dbraw/zinc/02/73/62/412027362.db2.gz	DQRMQVFXZJLBKC-UWVGGRQHSA-N	0	1	240.303	0.568	20	30		BCEDMN
CC[C@H](C)N1CCN(C(=O)CC#N)CC1	ZINC000055079710	171318860	/nfs/dbraw/zinc/31/88/60/171318860.db2.gz	ZNWMWVNKQDWBBQ-JTQLQIEISA-N	0	1	209.293	0.843	20	30		BCEDMN
C=CCCS(=O)(=O)Nc1cc(OC)n(C)n1	ZINC000548149939	412111340	/nfs/dbraw/zinc/11/13/40/412111340.db2.gz	IXRSAPCVMWFLMZ-UHFFFAOYSA-N	0	1	245.304	0.747	20	30		BCEDMN
CN(C)c1nc(NCc2cc(C#N)n(C)c2)n[nH]1	ZINC000424168032	412196161	/nfs/dbraw/zinc/19/61/61/412196161.db2.gz	FONWHQVEARTLNR-UHFFFAOYSA-N	0	1	245.290	0.693	20	30		BCEDMN
C=CCNC(=O)c1cc(C(C)(C)N)no1	ZINC000662434569	412171596	/nfs/dbraw/zinc/17/15/96/412171596.db2.gz	ULQVQRMFLNHJCS-UHFFFAOYSA-N	0	1	209.249	0.784	20	30		BCEDMN
N#Cc1cc(NCCN2CC=CCC2)ncn1	ZINC000392821436	412252309	/nfs/dbraw/zinc/25/23/09/412252309.db2.gz	HFTCYPNYTYHHIO-UHFFFAOYSA-N	0	1	229.287	1.022	20	30		BCEDMN
C=CCN(C(=O)[C@H]1CNCCO1)[C@H](C)COC	ZINC000662856142	412325457	/nfs/dbraw/zinc/32/54/57/412325457.db2.gz	ZVLFCKJRRQNLRP-GHMZBOCLSA-N	0	1	242.319	0.024	20	30		BCEDMN
C=CCOCCCNC(=O)c1cnccc1N	ZINC000662872646	412331067	/nfs/dbraw/zinc/33/10/67/412331067.db2.gz	ICZBGWXWSDFXFK-UHFFFAOYSA-N	0	1	235.287	0.817	20	30		BCEDMN
C=C[C@H](O)C(=O)N1CCN(CC(C)C)CC1	ZINC000665531162	412349969	/nfs/dbraw/zinc/34/99/69/412349969.db2.gz	QTCAHNMZNOXMFX-NSHDSACASA-N	0	1	226.320	0.334	20	30		BCEDMN
C=CC[C@]1(C(=O)N[C@@H](C)c2nnc[nH]2)CCC[NH2+]1	ZINC000662752138	412291562	/nfs/dbraw/zinc/29/15/62/412291562.db2.gz	HOCLHGLTKVPGLN-JOYOIKCWSA-N	0	1	249.318	0.680	20	30		BCEDMN
C=CC[C@]1(C(=O)N[C@@H](C)c2nnc[n-]2)CCC[NH2+]1	ZINC000662752138	412291564	/nfs/dbraw/zinc/29/15/64/412291564.db2.gz	HOCLHGLTKVPGLN-JOYOIKCWSA-N	0	1	249.318	0.680	20	30		BCEDMN
CN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000131878237	173014081	/nfs/dbraw/zinc/01/40/81/173014081.db2.gz	UKARRAMCJWEHPX-UHFFFAOYSA-N	0	1	232.287	0.664	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2cnccc2C#N)C1	ZINC000129381812	173074792	/nfs/dbraw/zinc/07/47/92/173074792.db2.gz	WNIWXKCVEGRCCG-GFCCVEGCSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2ccnc(C#N)c2)C1	ZINC000068806437	173074854	/nfs/dbraw/zinc/07/48/54/173074854.db2.gz	RUNFVOYPTIBCOC-CYBMUJFWSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2cccc(C#N)n2)C1	ZINC000080119422	173076069	/nfs/dbraw/zinc/07/60/69/173076069.db2.gz	DSPNSILOUOTMFF-GFCCVEGCSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2cnccc2C#N)C1	ZINC000227439876	173076404	/nfs/dbraw/zinc/07/64/04/173076404.db2.gz	WNIWXKCVEGRCCG-LBPRGKRZSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000034673882	173086109	/nfs/dbraw/zinc/08/61/09/173086109.db2.gz	QWZRGIGWGQQYQL-AWEZNQCLSA-N	0	1	245.326	0.839	20	30		BCEDMN
COCCCN[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594967	174249402	/nfs/dbraw/zinc/24/94/02/174249402.db2.gz	XTKFODLWPNPCBU-GFCCVEGCSA-N	0	1	247.298	0.711	20	30		BCEDMN
COc1ccc(C#N)cc1CN(C)CCC(N)=O	ZINC000353192179	175052169	/nfs/dbraw/zinc/05/21/69/175052169.db2.gz	KOLBTSDTRLXRDC-UHFFFAOYSA-N	0	1	247.298	0.874	20	30		BCEDMN
C=C(CC)CN(C)CCN1CCCS1(=O)=O	ZINC000678624501	487631955	/nfs/dbraw/zinc/63/19/55/487631955.db2.gz	FPBQNBRNENFSLL-UHFFFAOYSA-N	0	1	246.376	0.920	20	30		BCEDMN
C[C@@H]1CN(CCCCC#N)C[C@H](CO)O1	ZINC000191718238	176287638	/nfs/dbraw/zinc/28/76/38/176287638.db2.gz	AOBMXPPSHVKFSH-GHMZBOCLSA-N	0	1	212.293	0.762	20	30		BCEDMN
C[C@@H]1CN(c2cnc(C#N)cn2)[C@@H](C)CN1C	ZINC000408053584	177238228	/nfs/dbraw/zinc/23/82/28/177238228.db2.gz	HQGDWNKUYXYSJI-ZJUUUORDSA-N	0	1	231.303	0.877	20	30		BCEDMN
N#Cc1ccc(C(=O)Nc2nn[nH]n2)s1	ZINC000487050765	225283761	/nfs/dbraw/zinc/28/37/61/225283761.db2.gz	VRFWAWFJZZULFJ-UHFFFAOYSA-N	0	1	220.217	0.385	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N[C@@H]1CCCN(C)C1	ZINC000668329473	487651645	/nfs/dbraw/zinc/65/16/45/487651645.db2.gz	XNKOUWXPAQQFFC-MWLCHTKSSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@@H]1CCCN(C)C1	ZINC000668329472	487651733	/nfs/dbraw/zinc/65/17/33/487651733.db2.gz	XNKOUWXPAQQFFC-KOLCDFICSA-N	0	1	212.293	0.134	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)[C@@H]1CCN(C)C1=O	ZINC000671708386	487700783	/nfs/dbraw/zinc/70/07/83/487700783.db2.gz	PHSDPAAKEAPYRR-NXEZZACHSA-N	0	1	212.293	0.086	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)CCc1noc(C)n1	ZINC000671734186	487713500	/nfs/dbraw/zinc/71/35/00/487713500.db2.gz	QEKPMCQPGWNWLL-SNVBAGLBSA-N	0	1	225.292	0.789	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)[C@H]1CCCCN1C	ZINC000754358028	584917747	/nfs/dbraw/zinc/91/77/47/584917747.db2.gz	SMQISTUEDOABFN-WDEREUQCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCC[C@H](O)CN(C)CC(=O)NCC	ZINC000675488489	487739946	/nfs/dbraw/zinc/73/99/46/487739946.db2.gz	LZZRAHWPTMFMOB-JTQLQIEISA-N	0	1	214.309	0.381	20	30		BCEDMN
C=CCC[C@H](O)CN(C)CC(=O)N1CCCC1	ZINC000675486897	487740163	/nfs/dbraw/zinc/74/01/63/487740163.db2.gz	PPWXZGAYLYABPA-LBPRGKRZSA-N	0	1	240.347	0.868	20	30		BCEDMN
CC(C)CCn1c(=O)[nH]cc(C#N)c1=O	ZINC000335477039	487819485	/nfs/dbraw/zinc/81/94/85/487819485.db2.gz	FEIHSNDGDJOTEO-UHFFFAOYSA-N	0	1	207.233	0.454	20	30		BCEDMN
C#CCN(C)C(=O)N[C@@H]1CCCN(C)C1	ZINC000812011064	586569415	/nfs/dbraw/zinc/56/94/15/586569415.db2.gz	PMSQGRXEEQUGMB-SNVBAGLBSA-N	0	1	209.293	0.355	20	30		BCEDMN
C=C[C@@](C)(O)C(=O)N1CCN(CC2CC2)CC1	ZINC000666800779	487881762	/nfs/dbraw/zinc/88/17/62/487881762.db2.gz	NGGOXRHUXHZZKD-CYBMUJFWSA-N	0	1	238.331	0.478	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000667181675	487954034	/nfs/dbraw/zinc/95/40/34/487954034.db2.gz	IRILXPYYRHESAG-SKDRFNHKSA-N	0	1	224.304	0.276	20	30		BCEDMN
C#CCN(CC(=O)N(C)C)C1CCCC1	ZINC000155811143	323002752	/nfs/dbraw/zinc/00/27/52/323002752.db2.gz	NKMBGHBIFQAKSH-UHFFFAOYSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](OC)C1	ZINC000246059223	323008016	/nfs/dbraw/zinc/00/80/16/323008016.db2.gz	ABQZRHGQQULWKO-GHMZBOCLSA-N	0	1	226.320	0.788	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000562264842	323014166	/nfs/dbraw/zinc/01/41/66/323014166.db2.gz	NKIXQDLBSGWVSP-IUCAKERBSA-N	0	1	247.302	0.726	20	30		BCEDMN
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(C#N)ncn1	ZINC000562419602	323019436	/nfs/dbraw/zinc/01/94/36/323019436.db2.gz	NBBQTNICAYYNIM-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)ncn1	ZINC000562419602	323019437	/nfs/dbraw/zinc/01/94/37/323019437.db2.gz	NBBQTNICAYYNIM-VHSXEESVSA-N	0	1	231.303	0.877	20	30		BCEDMN
CCN(CC#N)C(=O)CN(C)[C@@H]1CCSC1	ZINC000163846065	323077045	/nfs/dbraw/zinc/07/70/45/323077045.db2.gz	IPGHKKYYUUBZMQ-SNVBAGLBSA-N	0	1	241.360	0.796	20	30		BCEDMN
N#Cc1ccc(CNC(CO)CO)cc1F	ZINC000403980841	323092544	/nfs/dbraw/zinc/09/25/44/323092544.db2.gz	FYLBFRUAXMVSSY-UHFFFAOYSA-N	0	1	224.235	0.140	20	30		BCEDMN
CC[C@](C)(O)CN1CCN(C(=O)CC#N)CC1	ZINC000563360604	323119693	/nfs/dbraw/zinc/11/96/93/323119693.db2.gz	QRWQQAYTBJPRIL-LBPRGKRZSA-N	0	1	239.319	0.205	20	30		BCEDMN
CN1CCC[C@H]1C(=O)NCC1(C#N)CC1	ZINC000571145045	323136454	/nfs/dbraw/zinc/13/64/54/323136454.db2.gz	IUOBGZGILQUEBO-VIFPVBQESA-N	0	1	207.277	0.501	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN(C)[C@H]1CCSC1	ZINC000535323188	323170819	/nfs/dbraw/zinc/17/08/19/323170819.db2.gz	YUXDOOCFNAQQOH-UWVGGRQHSA-N	0	1	241.360	0.700	20	30		BCEDMN
C#CCN1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000052134265	323192624	/nfs/dbraw/zinc/19/26/24/323192624.db2.gz	JHQYIAXXPLTYRA-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)C1(C)CC1	ZINC000328212575	324239824	/nfs/dbraw/zinc/23/98/24/324239824.db2.gz	WYURJUHEVWOLCI-UHFFFAOYSA-N	0	1	208.305	0.858	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C	ZINC000547768575	325394266	/nfs/dbraw/zinc/39/42/66/325394266.db2.gz	AWGMZPLLLOEPEK-KXUCPTDWSA-N	0	1	239.319	0.869	20	30		BCEDMN
CC[C@@H](CC#N)NC[C@@H](O)CSC	ZINC000565841941	325964551	/nfs/dbraw/zinc/96/45/51/325964551.db2.gz	NIHQNWPHUNQMBG-DTWKUNHWSA-N	0	1	202.323	0.992	20	30		BCEDMN
N#CCc1ccc(Cn2nnnc2CN)cc1	ZINC000566184809	326008006	/nfs/dbraw/zinc/00/80/06/326008006.db2.gz	OSOVRUHZWPPZEF-UHFFFAOYSA-N	0	1	228.259	0.246	20	30		BCEDMN
C=CCN(CCNC(=O)NC(C)C)CCOC	ZINC000566734499	326077850	/nfs/dbraw/zinc/07/78/50/326077850.db2.gz	GGFXTAXNJOGODH-UHFFFAOYSA-N	0	1	243.351	0.828	20	30		BCEDMN
N#CCC[C@@H](C#N)CNC[C@@H](O)C1CC1	ZINC000567111170	326117637	/nfs/dbraw/zinc/11/76/37/326117637.db2.gz	MAPXBEUPIPVFMI-GXSJLCMTSA-N	0	1	207.277	0.790	20	30		BCEDMN
N#Cc1ccc(CN2CCC[C@H](C(N)=O)C2)o1	ZINC000155019866	326179292	/nfs/dbraw/zinc/17/92/92/326179292.db2.gz	QIBYBJOCWJOJAZ-VIFPVBQESA-N	0	1	233.271	0.849	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)NCCCc1nc[nH]n1	ZINC000567513399	326208467	/nfs/dbraw/zinc/20/84/67/326208467.db2.gz	RDMHYVJLYXWSTP-NSHDSACASA-N	0	1	238.291	0.181	20	30		BCEDMN
C#CCN(CC(=O)NC(=O)NC)C1CCCC1	ZINC000155724611	326209381	/nfs/dbraw/zinc/20/93/81/326209381.db2.gz	LSWNPBPUXTZJND-UHFFFAOYSA-N	0	1	237.303	0.320	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@@H](C)N1CC(C)C1	ZINC000568206005	326326088	/nfs/dbraw/zinc/32/60/88/326326088.db2.gz	ZWIFQHJWKOXRCV-GFCCVEGCSA-N	0	1	240.347	0.988	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CCN(CCOC)CC1	ZINC000677133141	487980487	/nfs/dbraw/zinc/98/04/87/487980487.db2.gz	JRIZSXIIAXMRIU-GFCCVEGCSA-N	0	1	228.336	0.187	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1cn[nH]c1C	ZINC000666032837	487990540	/nfs/dbraw/zinc/99/05/40/487990540.db2.gz	CSEPQUQRROGLLT-JTQLQIEISA-N	0	1	209.249	0.271	20	30		BCEDMN
C=CCCOCC(=O)N1CCNC[C@H]1C	ZINC000309635081	488004225	/nfs/dbraw/zinc/00/42/25/488004225.db2.gz	MAPJDHZHKHZSDT-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCN(CCNC(=O)NC(C)C)C1CC1	ZINC000491526094	488034759	/nfs/dbraw/zinc/03/47/59/488034759.db2.gz	XECBTNNICYTYQN-UHFFFAOYSA-N	0	1	223.320	0.792	20	30		BCEDMN
CC(=O)c1[nH]c(CCN(C)CC#N)nc1C	ZINC000677478039	488047984	/nfs/dbraw/zinc/04/79/84/488047984.db2.gz	KEEIMEAKRPERFL-UHFFFAOYSA-N	0	1	220.276	0.919	20	30		BCEDMN
C=C1CCN(C(=O)[C@H]2CNCCO2)CC1	ZINC000382547625	487545622	/nfs/dbraw/zinc/54/56/22/487545622.db2.gz	QAURSLWEYCBWKG-SNVBAGLBSA-N	0	1	210.277	0.153	20	30		BCEDMN
C=CCN1CC[C@H](N2CCCOC[C@@H]2C)C1=O	ZINC000685003685	487490702	/nfs/dbraw/zinc/49/07/02/487490702.db2.gz	KPYQVCQMPAYYAA-RYUDHWBXSA-N	0	1	238.331	0.884	20	30		BCEDMN
C=C(C)CNC(=O)NCc1n[nH]c(COC)n1	ZINC000666116784	487499435	/nfs/dbraw/zinc/49/94/35/487499435.db2.gz	ZZDYVEFILKZXJR-UHFFFAOYSA-N	0	1	239.279	0.326	20	30		BCEDMN
C=C(C)CNC(=O)NCc1nnc(COC)[nH]1	ZINC000666116784	487499441	/nfs/dbraw/zinc/49/94/41/487499441.db2.gz	ZZDYVEFILKZXJR-UHFFFAOYSA-N	0	1	239.279	0.326	20	30		BCEDMN
CCC#C[C@H](C)N1CCN(CCO)[C@H](C)C1	ZINC000681712291	487513971	/nfs/dbraw/zinc/51/39/71/487513971.db2.gz	SVZWPUWEBSYBRF-QWHCGFSZSA-N	0	1	224.348	0.787	20	30		BCEDMN
COCC#CCN1CCC(O)(COC)CC1	ZINC000677819665	487515524	/nfs/dbraw/zinc/51/55/24/487515524.db2.gz	JRZROPPLEIVPFR-UHFFFAOYSA-N	0	1	227.304	0.110	20	30		BCEDMN
CNC(=O)CC1CCN(CC#CCOC)CC1	ZINC000677819865	487517057	/nfs/dbraw/zinc/51/70/57/487517057.db2.gz	CDCJINVCKHVFDO-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
COCC#CCN1CCC[C@H](OCCOC)C1	ZINC000677820074	488136030	/nfs/dbraw/zinc/13/60/30/488136030.db2.gz	WOCOTMATSIWMIR-ZDUSSCGKSA-N	0	1	241.331	0.764	20	30		BCEDMN
C=CCCn1cc(COCCc2c[nH]nn2)nn1	ZINC000655678390	488167280	/nfs/dbraw/zinc/16/72/80/488167280.db2.gz	VOWJODSCEFMXLP-UHFFFAOYSA-N	0	1	248.290	0.732	20	30		BCEDMN
C=C[C@](C)(O)C(=O)NCc1cc(C)[nH]n1	ZINC000668732931	488174094	/nfs/dbraw/zinc/17/40/94/488174094.db2.gz	NEXNAUMDPAKTRD-JTQLQIEISA-N	0	1	209.249	0.271	20	30		BCEDMN
CCC#C[C@H](C)N1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000684008142	488254606	/nfs/dbraw/zinc/25/46/06/488254606.db2.gz	MEXNPJWFLZHKLQ-GXFFZTMASA-N	0	1	249.314	0.462	20	30		BCEDMN
C=CCCC(=O)N(C)Cc1n[nH]c(=O)o1	ZINC000673479030	488289216	/nfs/dbraw/zinc/28/92/16/488289216.db2.gz	IXSYMAWPOFCENZ-UHFFFAOYSA-N	0	1	211.221	0.700	20	30		BCEDMN
COCC#CCN(CCO)[C@H]1CCO[C@H]1C	ZINC000684628325	488335896	/nfs/dbraw/zinc/33/58/96/488335896.db2.gz	JFYRXNWELVFQLM-RYUDHWBXSA-N	0	1	227.304	0.108	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)N(C)C	ZINC000653828797	490146461	/nfs/dbraw/zinc/14/64/61/490146461.db2.gz	HXBLUYHGNGTLJO-AEJSXWLSSA-N	0	1	212.293	0.396	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N(CCC#N)CCC#N	ZINC000264976802	536366803	/nfs/dbraw/zinc/36/68/03/536366803.db2.gz	IOZKJHZWLIVCTM-LLVKDONJSA-N	0	1	234.303	0.737	20	30		BCEDMN
CC#CCN1CCC(CNS(C)(=O)=O)CC1	ZINC000352243186	534709582	/nfs/dbraw/zinc/70/95/82/534709582.db2.gz	YFHDVDMRFGURSR-UHFFFAOYSA-N	0	1	244.360	0.271	20	30		BCEDMN
C=CCN(CC=C)CCCS(=O)(=O)NC	ZINC000114723962	534827435	/nfs/dbraw/zinc/82/74/35/534827435.db2.gz	CVXDQVIYEVQLEV-UHFFFAOYSA-N	0	1	232.349	0.600	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=C)C	ZINC000181258898	534862285	/nfs/dbraw/zinc/86/22/85/534862285.db2.gz	FQYIGRIFHRXDOJ-SNVBAGLBSA-N	0	1	239.319	0.895	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC=C	ZINC000121568880	534862534	/nfs/dbraw/zinc/86/25/34/534862534.db2.gz	VSFFPRMKVHKVEL-SECBINFHSA-N	0	1	225.292	0.505	20	30		BCEDMN
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CC#CCCN1CCN2C(=O)OCC[C@@H]2C1	ZINC000495405095	526309299	/nfs/dbraw/zinc/30/92/99/526309299.db2.gz	YJNBKVFBJINPGI-LLVKDONJSA-N	0	1	222.288	0.926	20	30		BCEDMN
CC#CCN1CCC2(COC(=O)N2)CC1	ZINC000495538011	526362818	/nfs/dbraw/zinc/36/28/18/526362818.db2.gz	LFBSSSMSULLYEF-UHFFFAOYSA-N	0	1	208.261	0.584	20	30		BCEDMN
C#CCCOC(=O)C1CCN(CC#C)CC1	ZINC000491045129	526737065	/nfs/dbraw/zinc/73/70/65/526737065.db2.gz	JNIMQYJNHVVDBZ-UHFFFAOYSA-N	0	1	219.284	0.898	20	30		BCEDMN
C=CCOCCCN1CCN2C(=O)OC[C@@H]2C1	ZINC000495512812	526757713	/nfs/dbraw/zinc/75/77/13/526757713.db2.gz	QSBMHCKYWWODMH-NSHDSACASA-N	0	1	240.303	0.716	20	30		BCEDMN
C#CCN(C[C@@](C)(O)C(=O)OC)C1CC1	ZINC000491309254	526902675	/nfs/dbraw/zinc/90/26/75/526902675.db2.gz	YDSSVDAKRXIQHK-LLVKDONJSA-N	0	1	211.261	0.008	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCS[C@@H](CC)C1	ZINC000174364901	527028946	/nfs/dbraw/zinc/02/89/46/527028946.db2.gz	ULTINYHEZZVEDH-QWRGUYRKSA-N	0	1	240.372	0.952	20	30		BCEDMN
C#C[C@@H]1COCCN1Cc1n[nH]c(CC)n1	ZINC000491338942	527312843	/nfs/dbraw/zinc/31/28/43/527312843.db2.gz	MQPOACLLLPFJKT-SECBINFHSA-N	0	1	220.276	0.201	20	30		BCEDMN
CCN(CC(=O)N[C@@H](C#N)C1CC1)C1CC1	ZINC000505917575	527915072	/nfs/dbraw/zinc/91/50/72/527915072.db2.gz	RWTGEDGPLLSOCH-NSHDSACASA-N	0	1	221.304	0.889	20	30		BCEDMN
CCCC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000355114114	534919922	/nfs/dbraw/zinc/91/99/22/534919922.db2.gz	CRCFEBIOYKUOCH-RKDXNWHRSA-N	0	1	226.276	0.994	20	30		BCEDMN
CC(C)[C@H]1CN(C(=O)CC#N)CCN1C	ZINC000336090790	535212141	/nfs/dbraw/zinc/21/21/41/535212141.db2.gz	SDHBCXHDVOMLFR-SNVBAGLBSA-N	0	1	209.293	0.699	20	30		BCEDMN
CCC[C@@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785809	535530573	/nfs/dbraw/zinc/53/05/73/535530573.db2.gz	DAODEUMUDDVIJD-GZMMTYOYSA-N	0	1	226.276	0.994	20	30		BCEDMN
CCC[C@@](C)(NC(=O)C(C)C#N)C(=O)OC	ZINC000357785812	535531264	/nfs/dbraw/zinc/53/12/64/535531264.db2.gz	DAODEUMUDDVIJD-LDYMZIIASA-N	0	1	226.276	0.994	20	30		BCEDMN
CCOC[C@@H](O)CN1CCC(F)(C#N)CC1	ZINC000352458085	535671342	/nfs/dbraw/zinc/67/13/42/535671342.db2.gz	GMXOAOSKARAQAO-JTQLQIEISA-N	0	1	230.283	0.711	20	30		BCEDMN
CN(CCC(C)(C)C#N)[C@H]1COC[C@H]1O	ZINC000352799175	536314567	/nfs/dbraw/zinc/31/45/67/536314567.db2.gz	FOAOTSCCQCFZAP-VHSXEESVSA-N	0	1	212.293	0.618	20	30		BCEDMN
CN(CC(=O)NC1CC1)C(=O)Cc1ccn[nH]1	ZINC000328806262	566298576	/nfs/dbraw/zinc/29/85/76/566298576.db2.gz	LCLZKUMKIYMAKF-UHFFFAOYSA-N	0	1	236.275	0.530	20	30		BCEDMN
CN1C[C@H](NC[C@@H](C#N)CCC#N)CCC1=O	ZINC000574962367	566326263	/nfs/dbraw/zinc/32/62/63/566326263.db2.gz	QVUDTAKRDNAWQU-GHMZBOCLSA-N	0	1	234.303	0.640	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1	ZINC000853226021	588727201	/nfs/dbraw/zinc/72/72/01/588727201.db2.gz	ULHYGHVHOAQHTQ-SFYZADRCSA-N	0	1	223.232	0.447	20	30		BCEDMN
C[C@H](CC#N)C(=O)O[C@H](C)c1nnc[nH]1	ZINC000853228002	588727749	/nfs/dbraw/zinc/72/77/49/588727749.db2.gz	VKVVAVDCMJUHOK-RNFRBKRXSA-N	0	1	208.221	0.959	20	30		BCEDMN
C=CCCn1cc(C=NNC2=NC[C@@H](C)N2)nn1	ZINC000853330343	588733628	/nfs/dbraw/zinc/73/36/28/588733628.db2.gz	MJNYQFOTYSTJFX-SECBINFHSA-N	0	1	247.306	0.125	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnc3n2CCC3)N1	ZINC000853330205	588733781	/nfs/dbraw/zinc/73/37/81/588733781.db2.gz	KOBOLSNQVRWGQI-QMMMGPOBSA-N	0	1	232.291	0.101	20	30		BCEDMN
Cn1cc(NN=Cc2nnn(C(C)(C)C)n2)cn1	ZINC000853339277	588735110	/nfs/dbraw/zinc/73/51/10/588735110.db2.gz	KYPBKDDSVCNIAK-UHFFFAOYSA-N	0	1	248.294	0.608	20	30		BCEDMN
Cn1nncc1N=NCc1cc2n(n1)CCC2	ZINC000853352174	588737143	/nfs/dbraw/zinc/73/71/43/588737143.db2.gz	KJMKQCXEWZAWQJ-UHFFFAOYSA-N	0	1	231.263	0.404	20	30		BCEDMN
C#Cc1cccnc1N1CCN(CCO)[C@H](C)C1	ZINC000853486401	588745516	/nfs/dbraw/zinc/74/55/16/588745516.db2.gz	WHRLEAWQNGANGF-GFCCVEGCSA-N	0	1	245.326	0.566	20	30		BCEDMN
C=CCONC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1	ZINC000854118006	588775043	/nfs/dbraw/zinc/77/50/43/588775043.db2.gz	LLWXNEZAIBWLKS-SNVBAGLBSA-N	0	1	227.308	0.840	20	30		BCEDMN
C#CC(=O)N1CCC(c2n[nH]c(=O)o2)CC1	ZINC000854342442	588784643	/nfs/dbraw/zinc/78/46/43/588784643.db2.gz	TWYPJMKFFZBILH-UHFFFAOYSA-N	0	1	221.216	0.114	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1CC	ZINC000854547499	588792913	/nfs/dbraw/zinc/79/29/13/588792913.db2.gz	WOBVOYOUZBWDFR-NWDGAFQWSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000854693813	588802085	/nfs/dbraw/zinc/80/20/85/588802085.db2.gz	WYSXJBRYVGZCHE-MRTMQBJTSA-N	0	1	210.233	0.570	20	30		BCEDMN
C#CCCCC(=O)NCCN1CCN(C)CC1	ZINC000112936140	588821267	/nfs/dbraw/zinc/82/12/67/588821267.db2.gz	IHKCJJXGQFRYBP-UHFFFAOYSA-N	0	1	237.347	0.154	20	30		BCEDMN
N#CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000855253173	588826587	/nfs/dbraw/zinc/82/65/87/588826587.db2.gz	AQTULAAAICUULM-OPRDCNLKSA-N	0	1	237.259	0.804	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)C	ZINC000890657755	582495311	/nfs/dbraw/zinc/49/53/11/582495311.db2.gz	WVGSIQAJODEUIN-GHMZBOCLSA-N	0	1	208.305	0.951	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCC[N@@H+]1CCC	ZINC000855603273	588841291	/nfs/dbraw/zinc/84/12/91/588841291.db2.gz	LQEZFHOAAJXAFL-SNVBAGLBSA-N	0	1	210.277	0.542	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]O[C@@H](C)C=C	ZINC000846544891	582656448	/nfs/dbraw/zinc/65/64/48/582656448.db2.gz	KTUPMSDDYJVNBM-QWRGUYRKSA-N	0	1	222.288	0.706	20	30		BCEDMN
C#CCO[N-]C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000855606372	588841455	/nfs/dbraw/zinc/84/14/55/588841455.db2.gz	FZXUABGDMLNSSD-AOOOYVTPSA-N	0	1	210.277	0.540	20	30		BCEDMN
C#CCONC(=O)Cc1ccc(CC)cn1	ZINC000855606832	588841742	/nfs/dbraw/zinc/84/17/42/588841742.db2.gz	RDTSZBVQUMJPSE-UHFFFAOYSA-N	0	1	218.256	0.868	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC=CCC1	ZINC000846677120	582664016	/nfs/dbraw/zinc/66/40/16/582664016.db2.gz	KOTXFKQRUNQZNR-MXWKQRLJSA-N	0	1	219.288	0.570	20	30		BCEDMN
CN(CC1CN(C)C1)C(=O)C#CC1CC1	ZINC000855640900	588843030	/nfs/dbraw/zinc/84/30/30/588843030.db2.gz	GIDKWKPWDLJKFJ-UHFFFAOYSA-N	0	1	206.289	0.420	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2ccc(O)c(F)c2)N1	ZINC000779791641	582730773	/nfs/dbraw/zinc/73/07/73/582730773.db2.gz	DNWXRWFMOYBZFS-ZETCQYMHSA-N	0	1	236.250	0.803	20	30		BCEDMN
Cc1ccc(O)c(C=NNC2=NC[C@H](C)N2)n1	ZINC000779792282	582730782	/nfs/dbraw/zinc/73/07/82/582730782.db2.gz	KMTXPYCJIVMJPO-QMMMGPOBSA-N	0	1	233.275	0.367	20	30		BCEDMN
C[C@@H](O)CNN=C1CCCN2CCCC[C@@H]12	ZINC000848409664	582766723	/nfs/dbraw/zinc/76/67/23/582766723.db2.gz	CJYMBHDHLJVNJP-PWSUYJOCSA-N	0	1	225.336	0.961	20	30		BCEDMN
C=CCCONC(=O)CCN1CCOCC1	ZINC000856031452	588856636	/nfs/dbraw/zinc/85/66/36/588856636.db2.gz	POBAWJOFOLLBFE-UHFFFAOYSA-N	0	1	228.292	0.333	20	30		BCEDMN
C=CCCONC(=O)CCc1nc[nH]n1	ZINC000856032354	588856909	/nfs/dbraw/zinc/85/69/09/588856909.db2.gz	KAMNRJHQLOSWNM-UHFFFAOYSA-N	0	1	210.237	0.361	20	30		BCEDMN
C=CCCONC(=O)Cc1cncn1C	ZINC000856033671	588857160	/nfs/dbraw/zinc/85/71/60/588857160.db2.gz	MXCXEJHKICGQDF-UHFFFAOYSA-N	0	1	209.249	0.587	20	30		BCEDMN
C=CCCONC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000856034219	588857463	/nfs/dbraw/zinc/85/74/63/588857463.db2.gz	IREDUKHJNPVYTM-UHFFFAOYSA-N	0	1	226.192	0.555	20	30		BCEDMN
CCN(C(=O)C1=NC(=O)N(C)C1)[C@H](C)C#N	ZINC000856077411	588859729	/nfs/dbraw/zinc/85/97/29/588859729.db2.gz	UMHPOVCWKLACMO-SSDOTTSWSA-N	0	1	222.248	0.500	20	30		BCEDMN
C=CCOCCNc1ccncc1C(N)=O	ZINC000393802252	582925886	/nfs/dbraw/zinc/92/58/86/582925886.db2.gz	TWMKPOUGWDEUKD-UHFFFAOYSA-N	0	1	221.260	0.217	20	30		BCEDMN
C#CCCN(CCOC)C(=O)[C@H](C)N(C)C	ZINC000856388905	588871166	/nfs/dbraw/zinc/87/11/66/588871166.db2.gz	SKUVWGYLUOGZNK-NSHDSACASA-N	0	1	226.320	0.435	20	30		BCEDMN
C[C@@H](O)CN(C)N=C1CN2CCC1CC2	ZINC000841649560	583011376	/nfs/dbraw/zinc/01/13/76/583011376.db2.gz	CYKRXMDVCYIQSR-SECBINFHSA-N	0	1	211.309	0.381	20	30		BCEDMN
C#C[C@H](NCCn1ccccc1=O)[C@H]1CCCO1	ZINC000775792007	583104498	/nfs/dbraw/zinc/10/44/98/583104498.db2.gz	PNGSUVCXERFBJB-QWHCGFSZSA-N	0	1	246.310	0.619	20	30		BCEDMN
CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)CC#N	ZINC000893871982	583238100	/nfs/dbraw/zinc/23/81/00/583238100.db2.gz	JMOFNTWPAMGZGG-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)[C@@H](C)CC#N	ZINC000893871982	583238102	/nfs/dbraw/zinc/23/81/02/583238102.db2.gz	JMOFNTWPAMGZGG-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CCOc1cncc(C=NNC2=NC[C@H](C)N2)c1	ZINC000857211367	588893525	/nfs/dbraw/zinc/89/35/25/588893525.db2.gz	HJCMJUHLEJYYFH-VIFPVBQESA-N	0	1	247.302	0.752	20	30		BCEDMN
C#CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C	ZINC000877966454	583355324	/nfs/dbraw/zinc/35/53/24/583355324.db2.gz	LGOSZTJXMYHRFS-KWQFWETISA-N	0	1	217.272	0.825	20	30		BCEDMN
CCN(CCC(=O)N(C)OC)C[C@H](C)C#N	ZINC000788011537	583360150	/nfs/dbraw/zinc/36/01/50/583360150.db2.gz	ALKVUWDZEUAYPR-SNVBAGLBSA-N	0	1	227.308	0.878	20	30		BCEDMN
C#CCN(CCC(=O)N(C)C)C1CSC1	ZINC000878910778	583411931	/nfs/dbraw/zinc/41/19/31/583411931.db2.gz	UNIYGLOLSCYUBN-UHFFFAOYSA-N	0	1	226.345	0.515	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@H]1[C@@H](C(=O)OC)C1(F)F	ZINC000894573579	583486969	/nfs/dbraw/zinc/48/69/69/583486969.db2.gz	FBKSGQPEMXEMDR-CIUDSAMLSA-N	0	1	231.242	0.994	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3nccnc3C#N)C2)n1	ZINC000895328843	583651908	/nfs/dbraw/zinc/65/19/08/583651908.db2.gz	NXSLEESQPVCLQO-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1nc(C2CN(c3nccnc3C#N)C2)n[nH]1	ZINC000895328843	583651909	/nfs/dbraw/zinc/65/19/09/583651909.db2.gz	NXSLEESQPVCLQO-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2ccon2)C1	ZINC000895748068	583716486	/nfs/dbraw/zinc/71/64/86/583716486.db2.gz	LZJJWSRDRKJHLI-LBPRGKRZSA-N	0	1	219.288	0.862	20	30		BCEDMN
C#Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1	ZINC000895736280	583718568	/nfs/dbraw/zinc/71/85/68/583718568.db2.gz	IXDLKPJRXLWXKF-MWLCHTKSSA-N	0	1	216.288	0.962	20	30		BCEDMN
C#CCN1CCC(Nc2nccnc2C#N)CC1	ZINC000895807856	583732869	/nfs/dbraw/zinc/73/28/69/583732869.db2.gz	UPMCDOIMVNCCQK-UHFFFAOYSA-N	0	1	241.298	0.858	20	30		BCEDMN
C#CCSCC(=O)NCCc1nc(C)n[nH]1	ZINC000896218583	583783940	/nfs/dbraw/zinc/78/39/40/583783940.db2.gz	LJVCIMVSNVBLCP-UHFFFAOYSA-N	0	1	238.316	0.138	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)NC[C@H]1CCN1C	ZINC000896619082	583818012	/nfs/dbraw/zinc/81/80/12/583818012.db2.gz	JHLHIWMYWFBABR-VXGBXAGGSA-N	0	1	235.331	0.888	20	30		BCEDMN
C=CC(C)(C)NC(=O)NC[C@H]1CCN1C	ZINC000896618551	583818021	/nfs/dbraw/zinc/81/80/21/583818021.db2.gz	FBKVTGPAILARGE-SECBINFHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C#Cc1ccc(C(=O)NCc2nnc[nH]2)cn1	ZINC000728962798	583939826	/nfs/dbraw/zinc/93/98/26/583939826.db2.gz	NNDLTTGCDYHULP-UHFFFAOYSA-N	0	1	227.227	0.111	20	30		BCEDMN
C[C@@H](C#N)CN(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1	ZINC000866947740	583966003	/nfs/dbraw/zinc/96/60/03/583966003.db2.gz	SIPDMZUFXUQKMU-KWQFWETISA-N	0	1	248.286	0.594	20	30		BCEDMN
CC1(C#N)CN(C(=O)c2c[nH]cc3ncnc2-3)C1	ZINC000897631020	584033013	/nfs/dbraw/zinc/03/30/13/584033013.db2.gz	OFSPSURHWQFEHH-UHFFFAOYSA-N	0	1	241.254	0.944	20	30		BCEDMN
C[C@@H]1CN(Cc2cccc(C#N)n2)C[C@H]1O	ZINC000897680565	584038206	/nfs/dbraw/zinc/03/82/06/584038206.db2.gz	SQTOGUVFVSSBQM-BXKDBHETSA-N	0	1	217.272	0.766	20	30		BCEDMN
C#CCONC(=O)Cc1sc(C)nc1C	ZINC000897811647	584046581	/nfs/dbraw/zinc/04/65/81/584046581.db2.gz	IOFYDNMYFBNBKD-UHFFFAOYSA-N	0	1	224.285	0.983	20	30		BCEDMN
C[C@]1(NCc2cc(C#N)cs2)CCNC1=O	ZINC000897870886	584056290	/nfs/dbraw/zinc/05/62/90/584056290.db2.gz	BKMWAEFKCBLOTI-NSHDSACASA-N	0	1	235.312	0.988	20	30		BCEDMN
C#CCC1(NC(=O)NCc2n[nH]c(C)n2)CCC1	ZINC000898347213	584111363	/nfs/dbraw/zinc/11/13/63/584111363.db2.gz	LUCWKPDSMAAVAH-UHFFFAOYSA-N	0	1	247.302	0.858	20	30		BCEDMN
C=C1CN(C(=O)[C@@H](C)CN2CCOCC2)C1	ZINC000898699862	584150243	/nfs/dbraw/zinc/15/02/43/584150243.db2.gz	TZDKDVQCYFZCBC-NSHDSACASA-N	0	1	224.304	0.353	20	30		BCEDMN
C=C1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1	ZINC000898695507	584154391	/nfs/dbraw/zinc/15/43/91/584154391.db2.gz	CWVOVODETLNMCD-UHFFFAOYSA-N	0	1	222.204	0.638	20	30		BCEDMN
C#CC[C@H]1C(=O)N(c2cnn(C)c2)N=C1C	ZINC000899354818	584201891	/nfs/dbraw/zinc/20/18/91/584201891.db2.gz	KFWZZQQCZABLPQ-SNVBAGLBSA-N	0	1	216.244	0.782	20	30		BCEDMN
C#CCc1c(C)[nH]n(-c2cnn(C)c2)c1=O	ZINC000899354818	584201893	/nfs/dbraw/zinc/20/18/93/584201893.db2.gz	KFWZZQQCZABLPQ-SNVBAGLBSA-N	0	1	216.244	0.782	20	30		BCEDMN
CN(CC#N)C(=O)c1cc(C(F)F)[nH]n1	ZINC000900454282	584313192	/nfs/dbraw/zinc/31/31/92/584313192.db2.gz	YZACYNLLFYYBMQ-UHFFFAOYSA-N	0	1	214.175	0.943	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)Cc1cnc[nH]1	ZINC000900632828	584334452	/nfs/dbraw/zinc/33/44/52/584334452.db2.gz	CXVONINOZVTQLM-VIFPVBQESA-N	0	1	206.249	0.617	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCc1n[nH]c(C)n1	ZINC000900790889	584352212	/nfs/dbraw/zinc/35/22/12/584352212.db2.gz	AOBVKROHTMEWKS-UHFFFAOYSA-N	0	1	230.271	0.392	20	30		BCEDMN
CC(=NN[C@@H]1CCSC1)c1c[nH]c(N)n1	ZINC000901238294	584405742	/nfs/dbraw/zinc/40/57/42/584405742.db2.gz	BBXYTVIPRVQRAZ-SSDOTTSWSA-N	0	1	225.321	0.811	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)c(C)c1	ZINC000901252721	584410370	/nfs/dbraw/zinc/41/03/70/584410370.db2.gz	MYWIKZKRMPUURG-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
C#CCCOC(=O)NCCc1nc[nH]n1	ZINC000859055694	588994781	/nfs/dbraw/zinc/99/47/81/588994781.db2.gz	JIEWJACVQBIKAZ-UHFFFAOYSA-N	0	1	208.221	0.097	20	30		BCEDMN
N#Cc1ccnc(COCCc2c[nH]nn2)c1	ZINC000902748156	584664204	/nfs/dbraw/zinc/66/42/04/584664204.db2.gz	AQZQYDJHDPFDEN-UHFFFAOYSA-N	0	1	229.243	0.831	20	30		BCEDMN
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1	ZINC000902784064	584666279	/nfs/dbraw/zinc/66/62/79/584666279.db2.gz	MYESTBJKGLRQDP-KOLCDFICSA-N	0	1	244.298	0.835	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cn(C)nn1	ZINC000903009046	584717651	/nfs/dbraw/zinc/71/76/51/584717651.db2.gz	XLOOAVIYNVLIDL-KKZNHRDASA-N	0	1	222.292	0.809	20	30		BCEDMN
N#CC1(CN[C@@H]2CCO[C@]23CCOC3)CC1	ZINC000903219086	584737828	/nfs/dbraw/zinc/73/78/28/584737828.db2.gz	DJIXPRNXRFMTFQ-PWSUYJOCSA-N	0	1	222.288	0.828	20	30		BCEDMN
CC(=NN(C)[C@H](C)CO)c1ccc(N)nc1	ZINC000842539304	584900581	/nfs/dbraw/zinc/90/05/81/584900581.db2.gz	UPLNHQIOZNFXSZ-MRVPVSSYSA-N	0	1	222.292	0.700	20	30		BCEDMN
C#CC1CCN(CC(=O)NC(=O)NC2CC2)CC1	ZINC000830305144	584908168	/nfs/dbraw/zinc/90/81/68/584908168.db2.gz	HJQXXUGGAOOPKL-UHFFFAOYSA-N	0	1	249.314	0.320	20	30		BCEDMN
N#CCCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000834651967	584914354	/nfs/dbraw/zinc/91/43/54/584914354.db2.gz	FJWOYFFTKFNCMB-SSDOTTSWSA-N	0	1	219.248	0.254	20	30		BCEDMN
COCC#CCN1CCC(c2nnc[nH]2)CC1	ZINC000762925305	584917717	/nfs/dbraw/zinc/91/77/17/584917717.db2.gz	DONAPKVMEFERRE-UHFFFAOYSA-N	0	1	234.303	0.634	20	30		BCEDMN
Cc1nc(COC(=O)c2cc(C#N)[nH]c2C)n[nH]1	ZINC000835223012	584921744	/nfs/dbraw/zinc/92/17/44/584921744.db2.gz	KEJKEAXDHSHRCA-UHFFFAOYSA-N	0	1	245.242	0.978	20	30		BCEDMN
C#CCNC(=O)CN(C)Cc1ccccc1O	ZINC000731843444	584929627	/nfs/dbraw/zinc/92/96/27/584929627.db2.gz	HRCLOUVKPSMQPS-UHFFFAOYSA-N	0	1	232.283	0.573	20	30		BCEDMN
CN(CC(=O)NCCC#N)Cc1ccccc1O	ZINC000731844795	584929657	/nfs/dbraw/zinc/92/96/57/584929657.db2.gz	JDKPHWFMAZTHAN-UHFFFAOYSA-N	0	1	247.298	0.854	20	30		BCEDMN
C(CN1CCCCC1)NN=C1CCOC1	ZINC000731925558	584931535	/nfs/dbraw/zinc/93/15/35/584931535.db2.gz	JURPDKFOWOIAGM-UHFFFAOYSA-N	0	1	211.309	0.838	20	30		BCEDMN
C=CCCC(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000732090658	584933580	/nfs/dbraw/zinc/93/35/80/584933580.db2.gz	LIIPEURJEAXOQR-QMMMGPOBSA-N	0	1	237.263	0.066	20	30		BCEDMN
C[C@H](C#N)CN(C)c1nccnc1-c1nn[nH]n1	ZINC000735505651	584978299	/nfs/dbraw/zinc/97/82/99/584978299.db2.gz	SAXZZMPGMUMOLJ-SSDOTTSWSA-N	0	1	244.262	0.253	20	30		BCEDMN
C#CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736076337	584988503	/nfs/dbraw/zinc/98/85/03/584988503.db2.gz	MSLVYMLALQTJIB-LLVKDONJSA-N	0	1	214.224	0.907	20	30		BCEDMN
C#CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736076341	584988590	/nfs/dbraw/zinc/98/85/90/584988590.db2.gz	MSLVYMLALQTJIB-NSHDSACASA-N	0	1	214.224	0.907	20	30		BCEDMN
CC(C#N)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736679909	585009467	/nfs/dbraw/zinc/00/94/67/585009467.db2.gz	RGSRESNPHFRVQT-ONGXEEELSA-N	0	1	232.287	0.345	20	30		BCEDMN
CCc1cnc(C=NNC2=NC[C@H](C)N2)s1	ZINC000814896942	585016085	/nfs/dbraw/zinc/01/60/85/585016085.db2.gz	BCANEUNOSGURJG-ZETCQYMHSA-N	0	1	237.332	0.977	20	30		BCEDMN
COc1cc(C(C)=NNC2=NC[C@@H](C)N2)on1	ZINC000814897285	585018428	/nfs/dbraw/zinc/01/84/28/585018428.db2.gz	HBELLMHJEYKVDY-ZCFIWIBFSA-N	0	1	237.263	0.345	20	30		BCEDMN
Cc1nc(-c2nn[nH]n2)c(N=NC2CCOC2)o1	ZINC000737466656	585033067	/nfs/dbraw/zinc/03/30/67/585033067.db2.gz	ADZVOBNAIGZCBE-UHFFFAOYSA-N	0	1	249.234	0.351	20	30		BCEDMN
C[C@]1(O)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000886033052	585036422	/nfs/dbraw/zinc/03/64/22/585036422.db2.gz	RAEHFEFHNOBTIP-RYUDHWBXSA-N	0	1	238.331	0.888	20	30		BCEDMN
C[N@@H+](CCC(=O)[O-])C[C@@H](C#N)CCC#N	ZINC000737992849	585039864	/nfs/dbraw/zinc/03/98/64/585039864.db2.gz	WSLLVVKKVIOGLA-SECBINFHSA-N	0	1	209.249	0.836	20	30		BCEDMN
C[N@@H+](CCC(=O)[O-])C[C@H](C#N)CCC#N	ZINC000737992850	585040111	/nfs/dbraw/zinc/04/01/11/585040111.db2.gz	WSLLVVKKVIOGLA-VIFPVBQESA-N	0	1	209.249	0.836	20	30		BCEDMN
C#C[C@@H]1COCCN1Cc1[nH]ncc1C	ZINC000839188279	585096935	/nfs/dbraw/zinc/09/69/35/585096935.db2.gz	BNLCMICLMFQFFB-SNVBAGLBSA-N	0	1	205.261	0.552	20	30		BCEDMN
CS[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1	ZINC000103330214	585098297	/nfs/dbraw/zinc/09/82/97/585098297.db2.gz	LVEUQJBNEZECKP-POYBYMJQSA-N	0	1	226.301	0.725	20	30		BCEDMN
CC(C)S(=O)(=O)NN=C1CC[N@@H+](C)[C@@H](C)C1	ZINC000741459853	585113346	/nfs/dbraw/zinc/11/33/46/585113346.db2.gz	IKNXGRHRCUZZIO-VIFPVBQESA-N	0	1	247.364	0.784	20	30		BCEDMN
CC(C)S(=O)(=O)NN=C1CCN(C)[C@@H](C)C1	ZINC000741459853	585113347	/nfs/dbraw/zinc/11/33/47/585113347.db2.gz	IKNXGRHRCUZZIO-VIFPVBQESA-N	0	1	247.364	0.784	20	30		BCEDMN
CC1(C)[C@@H]2C[N@H+](CC(=O)NCCC#N)C[C@@H]21	ZINC000741806115	585119405	/nfs/dbraw/zinc/11/94/05/585119405.db2.gz	CMHXLYDAJDDBNI-AOOOYVTPSA-N	0	1	221.304	0.604	20	30		BCEDMN
Cn1cc([C@@H](O)CNCc2ccc(C#N)o2)cn1	ZINC000742376445	585125420	/nfs/dbraw/zinc/12/54/20/585125420.db2.gz	SWVMJJFERHBAJN-LBPRGKRZSA-N	0	1	246.270	0.708	20	30		BCEDMN
C#CCCCNC(=O)NCc1cc(C)[nH]n1	ZINC000743691151	585138740	/nfs/dbraw/zinc/13/87/40/585138740.db2.gz	UKGKMPIZRFBSBW-UHFFFAOYSA-N	0	1	220.276	0.931	20	30		BCEDMN
COCCCCC(=O)C(C#N)C(=O)NC1CC1	ZINC000747022433	585174346	/nfs/dbraw/zinc/17/43/46/585174346.db2.gz	YLQXQDJYWMVQKT-JTQLQIEISA-N	0	1	238.287	0.791	20	30		BCEDMN
C#Cc1ccc(C(=O)N2CCNC(C)(C)C2)cn1	ZINC000747921050	585185872	/nfs/dbraw/zinc/18/58/72/585185872.db2.gz	HMQPIJCZMFAFNW-UHFFFAOYSA-N	0	1	243.310	0.887	20	30		BCEDMN
Cc1cc(N=NCc2cnnn2C)ncn1	ZINC000751133128	585224593	/nfs/dbraw/zinc/22/45/93/585224593.db2.gz	LUQASFGBCDJZAW-UHFFFAOYSA-N	0	1	217.236	0.360	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)OCCc1c[nH]nn1	ZINC000751847346	585237675	/nfs/dbraw/zinc/23/76/75/585237675.db2.gz	CJAQKXGFTHWHCD-UHFFFAOYSA-N	0	1	245.242	0.414	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)OCCc1cnn[nH]1	ZINC000751847346	585237676	/nfs/dbraw/zinc/23/76/76/585237676.db2.gz	CJAQKXGFTHWHCD-UHFFFAOYSA-N	0	1	245.242	0.414	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ncccn1	ZINC000752159373	585242914	/nfs/dbraw/zinc/24/29/14/585242914.db2.gz	CNUMUZQHIGFBCL-QMMMGPOBSA-N	0	1	205.265	0.826	20	30		BCEDMN
CCOC(=O)[C@H](CC1CC1)NC(=O)C(C)C#N	ZINC000752722320	585248772	/nfs/dbraw/zinc/24/87/72/585248772.db2.gz	CFIXYOGMHIDPDK-WPRPVWTQSA-N	0	1	238.287	0.994	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCCCOC	ZINC000805043248	585259386	/nfs/dbraw/zinc/25/93/86/585259386.db2.gz	PWPMQKKBMQSEEL-NSHDSACASA-N	0	1	240.303	0.168	20	30		BCEDMN
C#CCCCNC(=O)Cc1cc(C)n[nH]1	ZINC000755413475	585299172	/nfs/dbraw/zinc/29/91/72/585299172.db2.gz	OVEVLLPDCPQUGQ-UHFFFAOYSA-N	0	1	205.261	0.790	20	30		BCEDMN
Cn1cc(C=NN=c2cccc[nH]2)nn1	ZINC000755520430	585301283	/nfs/dbraw/zinc/30/12/83/585301283.db2.gz	YTTKIERCNSTTRR-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
Cn1cc(C=NNc2ccccn2)nn1	ZINC000755520430	585301284	/nfs/dbraw/zinc/30/12/84/585301284.db2.gz	YTTKIERCNSTTRR-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
Cc1cc(=NN=Cc2cn(C)nn2)nc[nH]1	ZINC000755728931	585305068	/nfs/dbraw/zinc/30/50/68/585305068.db2.gz	YFMNUZOUIRAWAW-UHFFFAOYSA-N	0	1	217.236	0.360	20	30		BCEDMN
C#CCOCCC(=O)Nc1nc(SC)n[nH]1	ZINC000755786615	585307193	/nfs/dbraw/zinc/30/71/93/585307193.db2.gz	BGGDVSPCGPMGQS-UHFFFAOYSA-N	0	1	240.288	0.505	20	30		BCEDMN
Cn1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)nn1	ZINC000755815232	585307791	/nfs/dbraw/zinc/30/77/91/585307791.db2.gz	QISOVEDVWYLRFU-UWVGGRQHSA-N	0	1	247.306	0.009	20	30		BCEDMN
C=C(Cl)CN1CCn2c(n[nH]c2=O)C1	ZINC000839557509	585329624	/nfs/dbraw/zinc/32/96/24/585329624.db2.gz	WJPPYHVMIFYPKQ-UHFFFAOYSA-N	0	1	214.656	0.552	20	30		BCEDMN
C#C[C@H](N[C@H](C)c1n[nH]c(C)n1)[C@H]1CCCO1	ZINC000839564293	585330269	/nfs/dbraw/zinc/33/02/69/585330269.db2.gz	PTKHYKFMIBBRGV-DVVUODLYSA-N	0	1	234.303	0.945	20	30		BCEDMN
C=C(Cl)CN1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000839629943	585333129	/nfs/dbraw/zinc/33/31/29/585333129.db2.gz	DVZQWNJLTBPCIS-SNVBAGLBSA-N	0	1	246.738	0.776	20	30		BCEDMN
C=C(C)COCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839703812	585337332	/nfs/dbraw/zinc/33/73/32/585337332.db2.gz	KNMOFKSTXAPTJK-RKDXNWHRSA-N	0	1	228.248	0.361	20	30		BCEDMN
C=CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000839716558	585338525	/nfs/dbraw/zinc/33/85/25/585338525.db2.gz	DDVGBPHQSQEHGQ-RKDXNWHRSA-N	0	1	210.233	0.829	20	30		BCEDMN
C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839725020	585338644	/nfs/dbraw/zinc/33/86/44/585338644.db2.gz	TYSDZCAEOQYXIA-FXPVBKGRSA-N	0	1	237.259	0.804	20	30		BCEDMN
N#CCOC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000758131825	585350211	/nfs/dbraw/zinc/35/02/11/585350211.db2.gz	GXIOMZJDYROKOC-SSDOTTSWSA-N	0	1	205.217	0.896	20	30		BCEDMN
C#CCNC(=S)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000758247844	585352772	/nfs/dbraw/zinc/35/27/72/585352772.db2.gz	SBTPFGJMWKUEBJ-QWRGUYRKSA-N	0	1	239.388	0.909	20	30		BCEDMN
C#CCNC(=S)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000758247838	585352830	/nfs/dbraw/zinc/35/28/30/585352830.db2.gz	SBTPFGJMWKUEBJ-MNOVXSKESA-N	0	1	239.388	0.909	20	30		BCEDMN
NC(=O)CNN=Cc1cc(F)c(O)c(F)c1	ZINC000758893484	585361379	/nfs/dbraw/zinc/36/13/79/585361379.db2.gz	WFDAFXUCEZCHMA-UHFFFAOYSA-N	0	1	229.186	0.079	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCC(F)F	ZINC000759353442	585371035	/nfs/dbraw/zinc/37/10/35/585371035.db2.gz	ZMXUDEBVVZLSQZ-QMMMGPOBSA-N	0	1	232.230	0.397	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC1(C)CC1	ZINC000759432225	585372774	/nfs/dbraw/zinc/37/27/74/585372774.db2.gz	UJYJDRHOOSDZHT-VIFPVBQESA-N	0	1	238.287	0.648	20	30		BCEDMN
C[C@H]1CN(C)CC1N=Nc1ncc(F)cn1	ZINC000760255051	585387744	/nfs/dbraw/zinc/38/77/44/585387744.db2.gz	QJYHEMNCODCKON-ZETCQYMHSA-N	0	1	223.255	0.965	20	30		BCEDMN
CC#CCCOC(=O)CCc1nc[nH]n1	ZINC000760292508	585389401	/nfs/dbraw/zinc/38/94/01/585389401.db2.gz	UBBAZMUGKDWSNG-UHFFFAOYSA-N	0	1	207.233	0.694	20	30		BCEDMN
C#CCCN1CCN(Cc2nccn2C)CC1	ZINC000760833158	585398782	/nfs/dbraw/zinc/39/87/82/585398782.db2.gz	SGMWCGDHCWGFPK-UHFFFAOYSA-N	0	1	232.331	0.561	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]2C[C@@H]21	ZINC000761082019	585407181	/nfs/dbraw/zinc/40/71/81/585407181.db2.gz	GMVOZYFKEFMSJM-MXWKQRLJSA-N	0	1	221.304	0.841	20	30		BCEDMN
C=CCN1CC(=O)N(Cc2cn[nH]c2C)C1=O	ZINC000761088463	585407688	/nfs/dbraw/zinc/40/76/88/585407688.db2.gz	TZAOHUDSVOQFGK-UHFFFAOYSA-N	0	1	234.259	0.668	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21	ZINC000761094971	585408612	/nfs/dbraw/zinc/40/86/12/585408612.db2.gz	OCLLXXQSFQUDJR-AEJSXWLSSA-N	0	1	237.303	0.481	20	30		BCEDMN
COc1ccnc(N=NC2C[C@@H](C)N(C)C2)n1	ZINC000761805630	585418918	/nfs/dbraw/zinc/41/89/18/585418918.db2.gz	IVTCIPMZCXFBMX-MRVPVSSYSA-N	0	1	235.291	0.977	20	30		BCEDMN
C[C@H]1CC(N=Nc2nccn(C)c2=O)CN1C	ZINC000761810982	585419231	/nfs/dbraw/zinc/41/92/31/585419231.db2.gz	ANIADWKHPDGUOK-QMMMGPOBSA-N	0	1	235.291	0.272	20	30		BCEDMN
C#CCN(CCn1ccccc1=O)C1CC1	ZINC000763951107	585457749	/nfs/dbraw/zinc/45/77/49/585457749.db2.gz	QNLLMURZERZYQS-UHFFFAOYSA-N	0	1	216.284	0.946	20	30		BCEDMN
C#CCCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000764249262	585462778	/nfs/dbraw/zinc/46/27/78/585462778.db2.gz	SDFXXNKQKYEMNV-SNVBAGLBSA-N	0	1	226.345	0.563	20	30		BCEDMN
COc1cccc(C(=O)N=C2C[C@H](C)ON2)n1	ZINC000765375692	585484551	/nfs/dbraw/zinc/48/45/51/585484551.db2.gz	JXGZGTLXTSTMMF-ZETCQYMHSA-N	0	1	235.243	0.942	20	30		BCEDMN
C#Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)cn1	ZINC000765377909	585484654	/nfs/dbraw/zinc/48/46/54/585484654.db2.gz	JUMJNNSGTRCRTE-QMMMGPOBSA-N	0	1	229.239	0.915	20	30		BCEDMN
C#Cc1ccc(C(=O)N2CC(N(C)C)C2)nc1	ZINC000765387095	585485144	/nfs/dbraw/zinc/48/51/44/585485144.db2.gz	BUBQYIXJVPNXFT-UHFFFAOYSA-N	0	1	229.283	0.449	20	30		BCEDMN
S=C(NN=C1CCN2CCC[C@H]12)NC1CC1	ZINC000765560715	585489642	/nfs/dbraw/zinc/48/96/42/585489642.db2.gz	UKXXXWQPWUMMSH-SNVBAGLBSA-N	0	1	238.360	0.837	20	30		BCEDMN
C1C[C@H]2C(=NN3CCOCC3)CCN2C1	ZINC000765549253	585489796	/nfs/dbraw/zinc/48/97/96/585489796.db2.gz	SXBATIMXALJAGO-NSHDSACASA-N	0	1	209.293	0.543	20	30		BCEDMN
NC(=[NH2+])NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12	ZINC000765573552	585489985	/nfs/dbraw/zinc/48/99/85/585489985.db2.gz	XYEWACNJJQMWDK-UHFFFAOYSA-N	0	1	246.230	0.078	20	30		BCEDMN
CN(C)C(=S)NN=C1CCN2CCC[C@@H]12	ZINC000765574565	585490052	/nfs/dbraw/zinc/49/00/52/585490052.db2.gz	CEATYOWEPOYLQW-VIFPVBQESA-N	0	1	226.349	0.647	20	30		BCEDMN
CC(N=Nc1cnn(C)c1)c1ccnn1C	ZINC000766034605	585496794	/nfs/dbraw/zinc/49/67/94/585496794.db2.gz	RNCFLUFBJOJJIG-UHFFFAOYSA-N	0	1	218.264	0.990	20	30		BCEDMN
C#CC[C@@H](NC(=O)c1[nH]nc(C)c1C)C(=O)OC	ZINC000839798976	585497709	/nfs/dbraw/zinc/49/77/09/585497709.db2.gz	HPLWCAPJIYUHNQ-SECBINFHSA-N	0	1	249.270	0.321	20	30		BCEDMN
C=CCC[C@H](O)CN1CCOC[C@H]1CCO	ZINC000767592167	585522764	/nfs/dbraw/zinc/52/27/64/585522764.db2.gz	GHBLEFYAKFZBNB-NEPJUHHUSA-N	0	1	229.320	0.397	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000769281233	585552522	/nfs/dbraw/zinc/55/25/22/585552522.db2.gz	HNRLXVKXCNNOQL-GUBZILKMSA-N	0	1	238.287	0.504	20	30		BCEDMN
C#C[C@@H](C)N(C)CC[C@H]1CCS(=O)(=O)C1	ZINC000769961746	585567781	/nfs/dbraw/zinc/56/77/81/585567781.db2.gz	NCXAERNEXOQIEU-MNOVXSKESA-N	0	1	229.345	0.765	20	30		BCEDMN
C=CCOCC(=O)OCc1n[nH]c(C)n1	ZINC000770648212	585579016	/nfs/dbraw/zinc/57/90/16/585579016.db2.gz	OJPCMCWIOMVJSJ-UHFFFAOYSA-N	0	1	211.221	0.359	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C	ZINC000771406227	585593991	/nfs/dbraw/zinc/59/39/91/585593991.db2.gz	TVXMWQXAHGPFDG-NWDGAFQWSA-N	0	1	238.331	0.577	20	30		BCEDMN
CN1CCCc2cc(C=NOCC(N)=O)ccc21	ZINC000771574897	585596837	/nfs/dbraw/zinc/59/68/37/585596837.db2.gz	AZIRWSHMZYHISU-UHFFFAOYSA-N	0	1	247.298	0.905	20	30		BCEDMN
CCOCCON=C1CN(C)C[C@H]1C	ZINC000774436701	585658737	/nfs/dbraw/zinc/65/87/37/585658737.db2.gz	UTTKWHNSSNXTGM-SECBINFHSA-N	0	1	200.282	0.977	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@H](C)N(C)C)[C@H]1CCCO1	ZINC000775325701	585675251	/nfs/dbraw/zinc/67/52/51/585675251.db2.gz	UGMXJZMRDDEEEL-HBNTYKKESA-N	0	1	224.304	0.234	20	30		BCEDMN
C#CCN(CCc1cn(C)nn1)C1CC1	ZINC000859252373	589024640	/nfs/dbraw/zinc/02/46/40/589024640.db2.gz	MFLOVZOZVBXHLB-UHFFFAOYSA-N	0	1	204.277	0.455	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccc(F)nc2)N1	ZINC000777443445	585712282	/nfs/dbraw/zinc/71/22/82/585712282.db2.gz	VOQHLYJJWAVZLJ-SSDOTTSWSA-N	0	1	221.239	0.492	20	30		BCEDMN
CC(C#N)C(=O)N1CCC[C@@]12CCOC2=O	ZINC000779260176	585748722	/nfs/dbraw/zinc/74/87/22/585748722.db2.gz	VCTKSQMXFNHWDD-KCJUWKMLSA-N	0	1	222.244	0.454	20	30		BCEDMN
COc1cccc(O)c1C=NNC1=NC[C@@H](C)N1	ZINC000779792325	585763630	/nfs/dbraw/zinc/76/36/30/585763630.db2.gz	LJPGTHPKLJBXSZ-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cccc3c2OCO3)N1	ZINC000779792116	585763706	/nfs/dbraw/zinc/76/37/06/585763706.db2.gz	OMPLXYTZXFZBFJ-MRVPVSSYSA-N	0	1	246.270	0.687	20	30		BCEDMN
Cc1ccc(O)c(C=NNC2=NC[C@@H](C)N2)c1	ZINC000779792035	585763768	/nfs/dbraw/zinc/76/37/68/585763768.db2.gz	NVYCLUHVXOYHKP-SECBINFHSA-N	0	1	232.287	0.972	20	30		BCEDMN
COc1c(O)cccc1C=NNC1=NC[C@H](C)N1	ZINC000779792063	585763828	/nfs/dbraw/zinc/76/38/28/585763828.db2.gz	IQHFMRAHFRUQGW-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
Cc1cc(C=NNC2=NC[C@@H](C)N2)c(C)[nH]1	ZINC000779791651	585763926	/nfs/dbraw/zinc/76/39/26/585763926.db2.gz	DWBWVJKJAZQHHI-MRVPVSSYSA-N	0	1	219.292	0.903	20	30		BCEDMN
CCn1cc(C(C)=NNC2=NC[C@H](C)N2)cn1	ZINC000779790856	585763941	/nfs/dbraw/zinc/76/39/41/585763941.db2.gz	BDLGXHOTMHFPBR-QMMMGPOBSA-N	0	1	234.307	0.564	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2cnc3ccccn23)N1	ZINC000779793226	585764034	/nfs/dbraw/zinc/76/40/34/585764034.db2.gz	YCXCSDPWHNOFDM-SECBINFHSA-N	0	1	242.286	0.606	20	30		BCEDMN
CCn1nccc1C=NNC1=NC[C@@H](C)N1	ZINC000779793308	585764136	/nfs/dbraw/zinc/76/41/36/585764136.db2.gz	ZQYPYNASNGAPQQ-MRVPVSSYSA-N	0	1	220.280	0.174	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccccc2C#N)N1	ZINC000779795601	585764235	/nfs/dbraw/zinc/76/42/35/585764235.db2.gz	WIXDBILAUGQXGP-SECBINFHSA-N	0	1	227.271	0.829	20	30		BCEDMN
Cc1n[nH]c(C)c1C=NNC1=NC[C@H](C)N1	ZINC000779794174	585764529	/nfs/dbraw/zinc/76/45/29/585764529.db2.gz	DEGVCMJPTBXCCZ-LURJTMIESA-N	0	1	220.280	0.298	20	30		BCEDMN
Cc1nn(C)c(C)c1C=NNC1=NC[C@@H](C)N1	ZINC000779801255	585764546	/nfs/dbraw/zinc/76/45/46/585764546.db2.gz	STOGANLBKDGRII-SSDOTTSWSA-N	0	1	234.307	0.308	20	30		BCEDMN
C[C@H]1CN=C(NN=C2COc3ccc(F)cc32)N1	ZINC000779799882	585764805	/nfs/dbraw/zinc/76/48/05/585764805.db2.gz	YIDCWYUALICHHM-ZETCQYMHSA-N	0	1	248.261	0.860	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cn3ccccc3n2)N1	ZINC000779801801	585764933	/nfs/dbraw/zinc/76/49/33/585764933.db2.gz	XUEPDFGXPLENGO-VIFPVBQESA-N	0	1	242.286	0.606	20	30		BCEDMN
O=C([O-])c1ccc(C=NNc2cc[nH+]cc2)[nH]1	ZINC000779810046	585766131	/nfs/dbraw/zinc/76/61/31/585766131.db2.gz	YIWKOLHIYSXATR-UHFFFAOYSA-N	0	1	230.227	0.976	20	30		BCEDMN
Nc1ncc(C=[NH+][N-]c2ncncc2Cl)cn1	ZINC000780281424	585776507	/nfs/dbraw/zinc/77/65/07/585776507.db2.gz	KEWICQCKUKTMEI-UHFFFAOYSA-N	0	1	249.665	0.948	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CCC(OC)CC1	ZINC000781450728	585796124	/nfs/dbraw/zinc/79/61/24/585796124.db2.gz	UYPJPFHLUGSSOS-UDNWOFFPSA-N	0	1	238.287	0.646	20	30		BCEDMN
Nc1ncc(CN=Nc2ccc(Cl)nn2)cn1	ZINC000781576782	585799342	/nfs/dbraw/zinc/79/93/42/585799342.db2.gz	TUKNCOAXDUNZSS-UHFFFAOYSA-N	0	1	249.665	0.948	20	30		BCEDMN
C#CCOCCNC(=O)NCc1cc(C)[nH]n1	ZINC000784329963	585855833	/nfs/dbraw/zinc/85/58/33/585855833.db2.gz	AFUSNGNIBCSALS-UHFFFAOYSA-N	0	1	236.275	0.167	20	30		BCEDMN
CO[C@H]1CN(CC(=O)NCCC#N)CC[C@H]1C	ZINC000784363358	585857155	/nfs/dbraw/zinc/85/71/55/585857155.db2.gz	AFMALYVWAXNYKA-MNOVXSKESA-N	0	1	239.319	0.373	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C	ZINC000784491384	585861364	/nfs/dbraw/zinc/86/13/64/585861364.db2.gz	SVFISBBKGNXZPV-BDAKNGLRSA-N	0	1	244.266	0.452	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](F)C(C)C	ZINC000784493884	585861372	/nfs/dbraw/zinc/86/13/72/585861372.db2.gz	TXFLJMDDGNYVCQ-NKWVEPMBSA-N	0	1	200.213	0.435	20	30		BCEDMN
COC[C@@H](C#N)OC(=O)c1[nH]nc2c1CCC2	ZINC000785186690	585871547	/nfs/dbraw/zinc/87/15/47/585871547.db2.gz	HJKRYGWEJIPLAP-SSDOTTSWSA-N	0	1	235.243	0.594	20	30		BCEDMN
COC[C@H](C#N)OC(=O)Cc1cc(C)[nH]n1	ZINC000785370504	585872886	/nfs/dbraw/zinc/87/28/86/585872886.db2.gz	FAXDDUOLEQODTH-VIFPVBQESA-N	0	1	223.232	0.342	20	30		BCEDMN
Cc1cc(CNC(=O)NCCC#N)n[nH]1	ZINC000787365841	585907911	/nfs/dbraw/zinc/90/79/11/585907911.db2.gz	JDDRSKULZRCXIE-UHFFFAOYSA-N	0	1	207.237	0.431	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2CCCN2C2CC2)=NO1	ZINC000787477356	585909974	/nfs/dbraw/zinc/90/99/74/585909974.db2.gz	CSMGPGYRNGRFHX-SCZZXKLOSA-N	0	1	237.303	0.852	20	30		BCEDMN
C#CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000787672315	585913729	/nfs/dbraw/zinc/91/37/29/585913729.db2.gz	NJFWSFRORBDTMZ-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)CC2OCCO2)c1	ZINC000788661698	585928680	/nfs/dbraw/zinc/92/86/80/585928680.db2.gz	RYEDLNBVMVBKJP-UHFFFAOYSA-N	0	1	248.238	0.965	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ccccc2C(N)=O)N1	ZINC000788725621	585929604	/nfs/dbraw/zinc/92/96/04/585929604.db2.gz	KPVREQDTMAXNEK-MRVPVSSYSA-N	0	1	245.286	0.057	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(CCC#N)C(C)C	ZINC000789919335	585952998	/nfs/dbraw/zinc/95/29/98/585952998.db2.gz	JRLTXOYZOCRGEV-UHFFFAOYSA-N	0	1	221.264	0.877	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000790001881	585955952	/nfs/dbraw/zinc/95/59/52/585955952.db2.gz	DATMMVYBYRSYDX-ZETCQYMHSA-N	0	1	233.275	0.877	20	30		BCEDMN
Cc1cccnc1N=NCc1cn(C)nn1	ZINC000790192987	585961020	/nfs/dbraw/zinc/96/10/20/585961020.db2.gz	MPPDIDUORZABCW-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
Cc1cccnc1NN=Cc1cn(C)nn1	ZINC000790192987	585961021	/nfs/dbraw/zinc/96/10/21/585961021.db2.gz	MPPDIDUORZABCW-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
CC(=NNc1nccn1C)c1cnn(C)c1	ZINC000790299917	585962641	/nfs/dbraw/zinc/96/26/41/585962641.db2.gz	KCXYTWAIPOBSPA-UHFFFAOYSA-N	0	1	218.264	0.990	20	30		BCEDMN
C=C(CN(C)C)C(=O)N(C)[C@H](C)C[S@@](C)=O	ZINC000791393187	585978731	/nfs/dbraw/zinc/97/87/31/585978731.db2.gz	AKILQZDPHJAEQZ-QLJPJBMISA-N	0	1	246.376	0.330	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@H]1[C@H]1CCCO1	ZINC000792926605	586007170	/nfs/dbraw/zinc/00/71/70/586007170.db2.gz	MXMSCHNBGOWBBV-NWDGAFQWSA-N	0	1	236.315	0.379	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](C)c1cc(C)nn1C	ZINC000793545015	586022628	/nfs/dbraw/zinc/02/26/28/586022628.db2.gz	RHMAJUDNDMLIIH-JTQLQIEISA-N	0	1	236.319	0.681	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1cnc[nH]1)[C@H]1CCCO1	ZINC000793855886	586027894	/nfs/dbraw/zinc/02/78/94/586027894.db2.gz	MJFOJYSNTDKVOE-NWDGAFQWSA-N	0	1	247.298	0.639	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCCc3nn(C)cc32)N1	ZINC000794529916	586042229	/nfs/dbraw/zinc/04/22/29/586042229.db2.gz	HJIHANGKJFXVPQ-QMMMGPOBSA-N	0	1	246.318	0.398	20	30		BCEDMN
C[C@H]1COC(=O)C1N=Nc1ncc(F)cn1	ZINC000794923310	586055411	/nfs/dbraw/zinc/05/54/11/586055411.db2.gz	OCZYPOKAFCIMHQ-YFKPBYRVSA-N	0	1	224.195	0.577	20	30		BCEDMN
C#CCCN1CCN(Cc2ccnc(C)n2)CC1	ZINC000796450183	586103790	/nfs/dbraw/zinc/10/37/90/586103790.db2.gz	QGTSSQHTRCOJFW-UHFFFAOYSA-N	0	1	244.342	0.926	20	30		BCEDMN
CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NC	ZINC000796644635	586109273	/nfs/dbraw/zinc/10/92/73/586109273.db2.gz	XOJIZHVGHFXYIE-OYNCUSHFSA-N	0	1	226.276	0.502	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)COC(F)F	ZINC000796793579	586112860	/nfs/dbraw/zinc/11/28/60/586112860.db2.gz	UFTMOUNQSZIJGR-LURJTMIESA-N	0	1	234.202	0.459	20	30		BCEDMN
N#Cc1csc(C(=O)Nc2c[nH]nn2)c1	ZINC000798248104	586141836	/nfs/dbraw/zinc/14/18/36/586141836.db2.gz	PAAGRFDLNDMFAF-UHFFFAOYSA-N	0	1	219.229	0.990	20	30		BCEDMN
C=C(CN(C)C)C(=O)N[C@H](C)CC(C)=O	ZINC000798301069	586142588	/nfs/dbraw/zinc/14/25/88/586142588.db2.gz	NILHKWXJQOQPIG-SECBINFHSA-N	0	1	212.293	0.588	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1cc(CCC)[nH]n1	ZINC000799086094	586156321	/nfs/dbraw/zinc/15/63/21/586156321.db2.gz	FPNYQGRSDRCYFU-UHFFFAOYSA-N	0	1	230.271	0.961	20	30		BCEDMN
Cc1ccc(=NNC2=CC(=O)N3CCC[C@H]23)[nH]n1	ZINC000799479857	586178782	/nfs/dbraw/zinc/17/87/82/586178782.db2.gz	JOMAGCJBINDVAE-SNVBAGLBSA-N	0	1	245.286	0.948	20	30		BCEDMN
C[C@@H]1CN=C(NN=Cc2ncc(Cl)n2C)N1	ZINC000799486044	586179714	/nfs/dbraw/zinc/17/97/14/586179714.db2.gz	XXBFXLRFCRFEBP-ZCFIWIBFSA-N	0	1	240.698	0.345	20	30		BCEDMN
Cc1ccc(C(=O)NCc2nnc[nH]2)cc1C#N	ZINC000799581255	586185550	/nfs/dbraw/zinc/18/55/50/586185550.db2.gz	JLWNQVOZADEDES-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
Cc1c[nH]nc1C(=O)N=C1C[C@H](C)ON1	ZINC000799714100	586193231	/nfs/dbraw/zinc/19/32/31/586193231.db2.gz	GPWHECJSEWQDGX-LURJTMIESA-N	0	1	208.221	0.570	20	30		BCEDMN
C#CCCN1CCN([C@@H](C=C)C(=O)OC)CC1	ZINC000800367193	586214393	/nfs/dbraw/zinc/21/43/93/586214393.db2.gz	UDRUIPLSSGCQMX-LBPRGKRZSA-N	0	1	236.315	0.355	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1O[C@H](C)C[C@H]1C	ZINC000800385748	586215069	/nfs/dbraw/zinc/21/50/69/586215069.db2.gz	DUYYHZJFFHUFOK-FDDDBJFASA-N	0	1	224.260	0.255	20	30		BCEDMN
CCc1oc(C=NNC(=N)N)cc1C(=O)OC	ZINC000800809642	586230561	/nfs/dbraw/zinc/23/05/61/586230561.db2.gz	DRCQTQYPUKUHAZ-UHFFFAOYSA-N	0	1	238.247	0.446	20	30		BCEDMN
CC#CC(=O)NCCN1CCC(OC)CC1	ZINC000801166937	586244594	/nfs/dbraw/zinc/24/45/94/586244594.db2.gz	NMDHIILMPBISFT-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1C(F)F	ZINC000802041050	586286977	/nfs/dbraw/zinc/28/69/77/586286977.db2.gz	OLTQOEOIXDQZNJ-FXQIFTODSA-N	0	1	242.225	0.875	20	30		BCEDMN
COC[C@H](C#N)OC(=O)[C@H](C(C)C)N(C)C	ZINC000803697321	586369774	/nfs/dbraw/zinc/36/97/74/586369774.db2.gz	YUTFSDCNJPPOFC-UWVGGRQHSA-N	0	1	228.292	0.654	20	30		BCEDMN
C=CCNC(=O)N[C@H](C)c1n[nH]c(C)n1	ZINC000806277657	586408597	/nfs/dbraw/zinc/40/85/97/586408597.db2.gz	HNJJSTACBPLQLY-ZCFIWIBFSA-N	0	1	209.253	0.659	20	30		BCEDMN
C#CCC(CC#C)C(=O)N1CCc2[nH]nnc2C1	ZINC000806946343	586421165	/nfs/dbraw/zinc/42/11/65/586421165.db2.gz	VFTQSYDENMAEJV-UHFFFAOYSA-N	0	1	242.282	0.352	20	30		BCEDMN
CC(C)n1cc(C=NNC2=NC[C@H](C)N2)nn1	ZINC000807981867	586454719	/nfs/dbraw/zinc/45/47/19/586454719.db2.gz	TTZBINCKBWJFOJ-QMMMGPOBSA-N	0	1	235.295	0.130	20	30		BCEDMN
N#CC[C@@H](O)CN1CCS[C@H]2COCC[C@H]21	ZINC000809576538	586507538	/nfs/dbraw/zinc/50/75/38/586507538.db2.gz	CGLWQIDXHZXUJJ-MXWKQRLJSA-N	0	1	242.344	0.467	20	30		BCEDMN
N#CC[C@@H](O)CN1CCc2ccccc2[C@@H]1CO	ZINC000809575923	586508064	/nfs/dbraw/zinc/50/80/64/586508064.db2.gz	GORSFFZVGZSAIW-OCCSQVGLSA-N	0	1	246.310	0.853	20	30		BCEDMN
CON=CC(=O)N1C[C@H](C)N(C)C[C@@H]1C	ZINC000809744032	586516691	/nfs/dbraw/zinc/51/66/91/586516691.db2.gz	RDZZSXNVNBPGMS-IUCAKERBSA-N	0	1	213.281	0.170	20	30		BCEDMN
CC[C@H](O)CNN=Cc1cnccc1N(C)C	ZINC000811652833	586563645	/nfs/dbraw/zinc/56/36/45/586563645.db2.gz	ZGBPJNVKHUBSIP-NSHDSACASA-N	0	1	236.319	0.842	20	30		BCEDMN
C#CCNC(=S)N[C@@H]1CCc2nc[nH]c2C1	ZINC000811712640	586566205	/nfs/dbraw/zinc/56/62/05/586566205.db2.gz	DGWRTUHNCAMRNL-MRVPVSSYSA-N	0	1	234.328	0.364	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)N[C@H]1CCCN(C)C1	ZINC000812011205	586569531	/nfs/dbraw/zinc/56/95/31/586569531.db2.gz	REIYBVUIGOLSLD-MNOVXSKESA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)N[C@H]1CCCN(C)C1	ZINC000812011206	586569579	/nfs/dbraw/zinc/56/95/79/586569579.db2.gz	REIYBVUIGOLSLD-QWRGUYRKSA-N	0	1	223.320	0.744	20	30		BCEDMN
Cc1nnsc1C=NNC1=NC[C@H](C)N1	ZINC000814225436	586618168	/nfs/dbraw/zinc/61/81/68/586618168.db2.gz	HODVNAKTVFWEHE-YFKPBYRVSA-N	0	1	224.293	0.118	20	30		BCEDMN
Cc1nnsc1C=NNc1ncn[nH]1	ZINC000814229227	586618254	/nfs/dbraw/zinc/61/82/54/586618254.db2.gz	UEWIUDLCSCKPBB-UHFFFAOYSA-N	0	1	209.238	0.411	20	30		BCEDMN
Cn1cc(C=N[N-]c2[nH+]ccn2C)c(=O)[nH]1	ZINC000814230602	586618784	/nfs/dbraw/zinc/61/87/84/586618784.db2.gz	UQKLCXHGIPXWOV-UHFFFAOYSA-N	0	1	220.236	0.305	20	30		BCEDMN
CC(=NN1CCN(C)CC1)c1ccc(N)nc1	ZINC000814684862	586629132	/nfs/dbraw/zinc/62/91/32/586629132.db2.gz	DGZCXQPWRZERPH-UHFFFAOYSA-N	0	1	233.319	0.635	20	30		BCEDMN
COc1cc(C(C)=NNC2=NC[C@H](C)N2)on1	ZINC000814897284	586645324	/nfs/dbraw/zinc/64/53/24/586645324.db2.gz	HBELLMHJEYKVDY-LURJTMIESA-N	0	1	237.263	0.345	20	30		BCEDMN
Cn1ccnc1NN=Cc1cncnc1	ZINC000814918225	586650750	/nfs/dbraw/zinc/65/07/50/586650750.db2.gz	HOBYMWDQBPSDSJ-UHFFFAOYSA-N	0	1	202.221	0.656	20	30		BCEDMN
Nc1ncc2c(n1)CCCC2=[NH+][N-]c1ncn[nH]1	ZINC000814932250	586653371	/nfs/dbraw/zinc/65/33/71/586653371.db2.gz	UKUPTFAPQYABCO-UHFFFAOYSA-N	0	1	244.262	0.329	20	30		BCEDMN
C[C@H](O)CNN=Cc1cc(C(F)(F)F)n[nH]1	ZINC000814966428	586662023	/nfs/dbraw/zinc/66/20/23/586662023.db2.gz	SZMGBADJOPXQDO-YFKPBYRVSA-N	0	1	236.197	0.733	20	30		BCEDMN
Cn1nncc1N=NCc1cn(C(C)(C)C)nn1	ZINC000814980685	586662624	/nfs/dbraw/zinc/66/26/24/586662624.db2.gz	IWZDRANKWILGDN-UHFFFAOYSA-N	0	1	248.294	0.608	20	30		BCEDMN
CCN(CC(=O)NC)[C@H]1CC[C@@H](C#N)C1	ZINC000815020919	586664285	/nfs/dbraw/zinc/66/42/85/586664285.db2.gz	HBPMISWGDMBEDX-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccnc(C)n1	ZINC000815122561	586667979	/nfs/dbraw/zinc/66/79/79/586667979.db2.gz	OBWYHRBTWBSVDR-UHFFFAOYSA-N	0	1	232.287	0.014	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000816674141	586754167	/nfs/dbraw/zinc/75/41/67/586754167.db2.gz	RWBXMRTXDJKXSS-NXEZZACHSA-N	0	1	247.298	0.330	20	30		BCEDMN
C#CC[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000816673924	586754358	/nfs/dbraw/zinc/75/43/58/586754358.db2.gz	MFJZNFAHMYQFGG-QMMMGPOBSA-N	0	1	233.271	0.012	20	30		BCEDMN
C=CCN(CCC#N)C(=O)c1[nH]nnc1C	ZINC000816803212	586764768	/nfs/dbraw/zinc/76/47/68/586764768.db2.gz	QYWCZDKREGOHRD-UHFFFAOYSA-N	0	1	219.248	0.655	20	30		BCEDMN
CC(C#N)C(=O)N(C)[C@@H]1CC(C)(C)OC1=O	ZINC000817074163	586781309	/nfs/dbraw/zinc/78/13/09/586781309.db2.gz	MEWPYFUJMOOZEJ-JGVFFNPUSA-N	0	1	224.260	0.699	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)[N-]OCC1CC1	ZINC000817350060	586798419	/nfs/dbraw/zinc/79/84/19/586798419.db2.gz	SNNAQNJEFBOEOL-NSHDSACASA-N	0	1	222.288	0.542	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000817668507	586817250	/nfs/dbraw/zinc/81/72/50/586817250.db2.gz	HFUJDPGEQVLTGZ-UWVGGRQHSA-N	0	1	238.287	0.016	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000817668507	586817251	/nfs/dbraw/zinc/81/72/51/586817251.db2.gz	HFUJDPGEQVLTGZ-UWVGGRQHSA-N	0	1	238.287	0.016	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)CCO)nn1	ZINC000818346711	586887439	/nfs/dbraw/zinc/88/74/39/586887439.db2.gz	NCPHOHXSOMGKQN-SECBINFHSA-N	0	1	210.281	0.325	20	30		BCEDMN
C=C(Cl)CN(C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000859959290	589074109	/nfs/dbraw/zinc/07/41/09/589074109.db2.gz	GFVWMWGNBFUTPP-OCAPTIKFSA-N	0	1	202.685	0.935	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C)C[C@H]1CC	ZINC000818970215	586918126	/nfs/dbraw/zinc/91/81/26/586918126.db2.gz	DIJURDZXRGHGRX-SNVBAGLBSA-N	0	1	212.293	0.088	20	30		BCEDMN
C#CCNC(=O)CCNCc1cc(C)ncn1	ZINC000819188417	586936480	/nfs/dbraw/zinc/93/64/80/586936480.db2.gz	GOWCHQPVARFFBT-UHFFFAOYSA-N	0	1	232.287	0.014	20	30		BCEDMN
C#C[C@H](NC[C@H](C)S(C)(=O)=O)[C@H]1CCCO1	ZINC000819242086	586942407	/nfs/dbraw/zinc/94/24/07/586942407.db2.gz	JKLLPOCZNIUKIK-GARJFASQSA-N	0	1	245.344	0.190	20	30		BCEDMN
C=CCn1cc(CNC[C@H](O)C2CC2)nn1	ZINC000819381311	586959539	/nfs/dbraw/zinc/95/95/39/586959539.db2.gz	AGIKYUZLHYUPMZ-NSHDSACASA-N	0	1	222.292	0.325	20	30		BCEDMN
C#C[C@@H](C)NC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000820398956	587046043	/nfs/dbraw/zinc/04/60/43/587046043.db2.gz	AISDMHNJGJSODQ-SSDOTTSWSA-N	0	1	233.275	0.503	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1	ZINC000820400468	587046107	/nfs/dbraw/zinc/04/61/07/587046107.db2.gz	OOANOZACAXJMQE-QMMMGPOBSA-N	0	1	235.291	0.749	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1CC	ZINC000820401063	587046357	/nfs/dbraw/zinc/04/63/57/587046357.db2.gz	VNISIXHNTRXMMP-MNOVXSKESA-N	0	1	223.320	0.744	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000820423778	587047775	/nfs/dbraw/zinc/04/77/75/587047775.db2.gz	WNGXSLBPFHWVJS-SFYZADRCSA-N	0	1	235.291	0.749	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(CC2CC2)CC1	ZINC000820439580	587049162	/nfs/dbraw/zinc/04/91/62/587049162.db2.gz	AOPSLXZRVJKXKL-NSHDSACASA-N	0	1	235.331	0.745	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)N(C)Cc1nnc[nH]1	ZINC000820660093	587063686	/nfs/dbraw/zinc/06/36/86/587063686.db2.gz	GGUJJJICNTVGKG-SECBINFHSA-N	0	1	235.291	0.748	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840462628	587105927	/nfs/dbraw/zinc/10/59/27/587105927.db2.gz	PPKJLCCKRAHOGV-XSSZXYGBSA-N	0	1	223.232	0.460	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2coc(CO)c2)=NO1	ZINC000821399397	587117413	/nfs/dbraw/zinc/11/74/13/587117413.db2.gz	HGVKBNKBEMKBAK-ZCFIWIBFSA-N	0	1	224.216	0.624	20	30		BCEDMN
CC(C)(C#N)CNC(=O)CN1CCCC1	ZINC000821820034	587140382	/nfs/dbraw/zinc/14/03/82/587140382.db2.gz	JWFBBOZBZUVJOU-UHFFFAOYSA-N	0	1	209.293	0.748	20	30		BCEDMN
C=CCONC(=O)Cc1cc(CC)nn1C	ZINC000821891319	587145864	/nfs/dbraw/zinc/14/58/64/587145864.db2.gz	BARYIBLYHZTDAJ-UHFFFAOYSA-N	0	1	223.276	0.759	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)CCCc1nn[nH]n1	ZINC000822398239	587165913	/nfs/dbraw/zinc/16/59/13/587165913.db2.gz	WQRXQTKQOCHFHM-VIFPVBQESA-N	0	1	235.291	0.441	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C)C1	ZINC000823132807	587203221	/nfs/dbraw/zinc/20/32/21/587203221.db2.gz	IMSRTFYCMKWVCB-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
COC(=O)C1(C#N)CCN(CC[C@H](C)O)CC1	ZINC000823216617	587209098	/nfs/dbraw/zinc/20/90/98/587209098.db2.gz	XLAYXMPCRWERFA-JTQLQIEISA-N	0	1	240.303	0.536	20	30		BCEDMN
COC(=O)C1(C#N)CCN(CC[C@@H](C)O)CC1	ZINC000823216618	587209100	/nfs/dbraw/zinc/20/91/00/587209100.db2.gz	XLAYXMPCRWERFA-SNVBAGLBSA-N	0	1	240.303	0.536	20	30		BCEDMN
C#CC[N@H+](CC#CC)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000823450402	587222756	/nfs/dbraw/zinc/22/27/56/587222756.db2.gz	BAYSNRKMGQNTEE-LBPRGKRZSA-N	0	1	234.299	0.945	20	30		BCEDMN
C=C(C)C[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480544	587224783	/nfs/dbraw/zinc/22/47/83/587224783.db2.gz	GDHOWHZXEUWDIZ-NXEZZACHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=C(C)C[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823480544	587224784	/nfs/dbraw/zinc/22/47/84/587224784.db2.gz	GDHOWHZXEUWDIZ-NXEZZACHSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+]1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823495965	587226888	/nfs/dbraw/zinc/22/68/88/587226888.db2.gz	BLDMTJGGENEMNI-MNOVXSKESA-N	0	1	242.319	0.998	20	30		BCEDMN
C#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000823541800	587230709	/nfs/dbraw/zinc/23/07/09/587230709.db2.gz	SCPJTRDWSYQLTM-GMTAPVOTSA-N	0	1	245.282	0.374	20	30		BCEDMN
C#CCCCNCc1nccnc1OC	ZINC000823949796	587246743	/nfs/dbraw/zinc/24/67/43/587246743.db2.gz	UYFIIMGRRHLONP-UHFFFAOYSA-N	0	1	205.261	0.988	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)CN2CCCC2)C1	ZINC000824705198	587283235	/nfs/dbraw/zinc/28/32/35/587283235.db2.gz	HJZXFXQNTNLRFL-GFCCVEGCSA-N	0	1	221.304	0.844	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@@H](C)N(C)C	ZINC000825080710	587303311	/nfs/dbraw/zinc/30/33/11/587303311.db2.gz	VGUSNPMDNMZDSF-ZJUUUORDSA-N	0	1	212.293	0.091	20	30		BCEDMN
C=CCCONC(=O)Cc1cn(CC)nn1	ZINC000825565448	587325465	/nfs/dbraw/zinc/32/54/65/587325465.db2.gz	DPNFYCCMAAUYSC-UHFFFAOYSA-N	0	1	224.264	0.464	20	30		BCEDMN
C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000825664953	587330450	/nfs/dbraw/zinc/33/04/50/587330450.db2.gz	RGQHIVZTXBQVAR-DCAQKATOSA-N	0	1	227.304	0.966	20	30		BCEDMN
CCSCCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000825675159	587331019	/nfs/dbraw/zinc/33/10/19/587331019.db2.gz	YGCBVIRLBMVIAW-UHFFFAOYSA-N	0	1	249.303	0.688	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825687193	587332265	/nfs/dbraw/zinc/33/22/65/587332265.db2.gz	DDDMBGLVPHUWLE-KCJUWKMLSA-N	0	1	244.266	0.176	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(C(=O)[O-])C1	ZINC000825687193	587332266	/nfs/dbraw/zinc/33/22/66/587332266.db2.gz	DDDMBGLVPHUWLE-KCJUWKMLSA-N	0	1	244.266	0.176	20	30		BCEDMN
CN1CC(C(=O)N(CCC#N)CC2CC2)=NC1=O	ZINC000826097103	587350745	/nfs/dbraw/zinc/35/07/45/587350745.db2.gz	OUDYFBYMMLCBBX-UHFFFAOYSA-N	0	1	248.286	0.892	20	30		BCEDMN
Cc1nc(-c2nn[nH]n2)c(N=NCC2CC2)o1	ZINC000826322953	587352330	/nfs/dbraw/zinc/35/23/30/587352330.db2.gz	IUAQRBUPIQAJRD-UHFFFAOYSA-N	0	1	233.235	0.971	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)C1CC1	ZINC000826937904	587366091	/nfs/dbraw/zinc/36/60/91/587366091.db2.gz	WYLCPSRFJZYXSX-BXKDBHETSA-N	0	1	244.298	0.933	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)C1CC1	ZINC000826936917	587366108	/nfs/dbraw/zinc/36/61/08/587366108.db2.gz	GJUUEZOBGXCUSW-WCBMZHEXSA-N	0	1	245.286	0.643	20	30		BCEDMN
N#C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)C1CC1	ZINC000826937907	587366199	/nfs/dbraw/zinc/36/61/99/587366199.db2.gz	WYLCPSRFJZYXSX-SKDRFNHKSA-N	0	1	244.298	0.933	20	30		BCEDMN
N#C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C1CC1	ZINC000826937906	587366226	/nfs/dbraw/zinc/36/62/26/587366226.db2.gz	WYLCPSRFJZYXSX-JOYOIKCWSA-N	0	1	244.298	0.933	20	30		BCEDMN
C#Cc1cnc(N2CCN(C(C)C)CC2)nc1	ZINC000827367609	587378505	/nfs/dbraw/zinc/37/85/05/587378505.db2.gz	CIGBFBXZPPOZSR-UHFFFAOYSA-N	0	1	230.315	0.988	20	30		BCEDMN
CC#CC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000827491122	587382925	/nfs/dbraw/zinc/38/29/25/587382925.db2.gz	MJQKFHYDTYNRKY-LLVKDONJSA-N	0	1	208.305	0.808	20	30		BCEDMN
C[C@@H]1CC(NC(=O)c2cc(Cl)n(C)n2)=NO1	ZINC000827497711	587383569	/nfs/dbraw/zinc/38/35/69/587383569.db2.gz	ZJQVGQXNPXJKQC-RXMQYKEDSA-N	0	1	242.666	0.926	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2cc(Cl)n(C)n2)=NO1	ZINC000827497712	587383643	/nfs/dbraw/zinc/38/36/43/587383643.db2.gz	ZJQVGQXNPXJKQC-YFKPBYRVSA-N	0	1	242.666	0.926	20	30		BCEDMN
CCC1(CC(=O)NCC#CCN(C)C)COC1	ZINC000827971653	587414137	/nfs/dbraw/zinc/41/41/37/587414137.db2.gz	CXTOZTSVKYYZCW-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
Cc1cc(CCC(=O)NCC#CCN(C)C)no1	ZINC000827971659	587414186	/nfs/dbraw/zinc/41/41/86/587414186.db2.gz	DECBOMFGXAFAKE-UHFFFAOYSA-N	0	1	249.314	0.597	20	30		BCEDMN
N#Cc1cnccc1CN[C@@H](CO)C1CC1	ZINC000828252449	587428051	/nfs/dbraw/zinc/42/80/51/587428051.db2.gz	VTNOGXLRFDMZOQ-LBPRGKRZSA-N	0	1	217.272	0.814	20	30		BCEDMN
Cc1conc1C(=O)N=C1C[C@H](C)ON1	ZINC000867062636	587500777	/nfs/dbraw/zinc/50/07/77/587500777.db2.gz	GKCYLBAOFQXLCS-LURJTMIESA-N	0	1	209.205	0.835	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@@H]2OCC[C@@H]2C1	ZINC000829631447	587506620	/nfs/dbraw/zinc/50/66/20/587506620.db2.gz	NGIHHVBUURVTMR-MNOVXSKESA-N	0	1	237.303	0.127	20	30		BCEDMN
N#C[C@@]1(C(=O)N2CCC(N)=N2)CC12CCCC2	ZINC000829848709	587523888	/nfs/dbraw/zinc/52/38/88/587523888.db2.gz	OSXDANMYZDZUEJ-GFCCVEGCSA-N	0	1	232.287	0.607	20	30		BCEDMN
C#CC1CCN(CC(=O)NC(=O)NCC=C)CC1	ZINC000830302061	587545386	/nfs/dbraw/zinc/54/53/86/587545386.db2.gz	ZNKJWLNSCFDNLT-UHFFFAOYSA-N	0	1	249.314	0.343	20	30		BCEDMN
C#CC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1	ZINC000830833091	587572934	/nfs/dbraw/zinc/57/29/34/587572934.db2.gz	MPCZOEZRZWMGHE-VIFPVBQESA-N	0	1	248.204	0.289	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)C[C@@H]2CC(=O)N2)c1	ZINC000831271510	587594805	/nfs/dbraw/zinc/59/48/05/587594805.db2.gz	HXJZNMCHROFOIB-QMMMGPOBSA-N	0	1	245.238	0.481	20	30		BCEDMN
CC(C)C#CC(=O)N(C)C[C@H](C)c1nn[nH]n1	ZINC000832125344	587645554	/nfs/dbraw/zinc/64/55/54/587645554.db2.gz	BIELYCYIASMQAY-VIFPVBQESA-N	0	1	235.291	0.421	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000832425683	587659520	/nfs/dbraw/zinc/65/95/20/587659520.db2.gz	PVTXNUZGWBWWCP-JGVFFNPUSA-N	0	1	218.260	0.363	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21	ZINC000832697894	587678324	/nfs/dbraw/zinc/67/83/24/587678324.db2.gz	JKQWVXHKTZYMOZ-WOPDTQHZSA-N	0	1	236.315	0.187	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000833368184	587706332	/nfs/dbraw/zinc/70/63/32/587706332.db2.gz	BSEIPFLNJBQREU-MWLCHTKSSA-N	0	1	213.277	0.720	20	30		BCEDMN
C#CCCC[N@@H+]1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833362560	587708358	/nfs/dbraw/zinc/70/83/58/587708358.db2.gz	YLUJIMYPCPNJSM-LBPRGKRZSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CCCCN1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833362560	587708359	/nfs/dbraw/zinc/70/83/59/587708359.db2.gz	YLUJIMYPCPNJSM-LBPRGKRZSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CCCCN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833362560	587708360	/nfs/dbraw/zinc/70/83/60/587708360.db2.gz	YLUJIMYPCPNJSM-LBPRGKRZSA-N	0	1	238.331	0.881	20	30		BCEDMN
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)[O-]	ZINC000833364709	587708998	/nfs/dbraw/zinc/70/89/98/587708998.db2.gz	SIXUYCPZUKSCHO-JTQLQIEISA-N	0	1	238.287	0.017	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)[O-]	ZINC000833364709	587708999	/nfs/dbraw/zinc/70/89/99/587708999.db2.gz	SIXUYCPZUKSCHO-JTQLQIEISA-N	0	1	238.287	0.017	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833374401	587710797	/nfs/dbraw/zinc/71/07/97/587710797.db2.gz	ZKWMWFOJJOAWHD-VHSXEESVSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833377132	587711304	/nfs/dbraw/zinc/71/13/04/587711304.db2.gz	NJTPTKLHUADWOE-BDAKNGLRSA-N	0	1	227.260	0.511	20	30		BCEDMN
C[N@@H+](CCO)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833693636	587728330	/nfs/dbraw/zinc/72/83/30/587728330.db2.gz	IVUHXNPWKYTYJC-NSHDSACASA-N	0	1	234.255	0.608	20	30		BCEDMN
C[N@@H+](CCO)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833693892	587728615	/nfs/dbraw/zinc/72/86/15/587728615.db2.gz	YLJAFBHSTCHBFV-LLVKDONJSA-N	0	1	234.255	0.608	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833787389	587731896	/nfs/dbraw/zinc/73/18/96/587731896.db2.gz	NCNFYIGZBSSMFC-AXFHLTTASA-N	0	1	222.288	0.988	20	30		BCEDMN
C#CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833787391	587731963	/nfs/dbraw/zinc/73/19/63/587731963.db2.gz	NCNFYIGZBSSMFC-GARJFASQSA-N	0	1	222.288	0.988	20	30		BCEDMN
N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)ccn1	ZINC000833970586	587741225	/nfs/dbraw/zinc/74/12/25/587741225.db2.gz	QQMJFVWGHHSQQQ-SNVBAGLBSA-N	0	1	246.270	0.795	20	30		BCEDMN
N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])C2)ccn1	ZINC000833970586	587741227	/nfs/dbraw/zinc/74/12/27/587741227.db2.gz	QQMJFVWGHHSQQQ-SNVBAGLBSA-N	0	1	246.270	0.795	20	30		BCEDMN
C#C[C@H](CC)NC(=O)[C@H]1CCCc2n[nH]nc21	ZINC000834385309	587754041	/nfs/dbraw/zinc/75/40/41/587754041.db2.gz	DIAAPXDJTAMIKD-BDAKNGLRSA-N	0	1	232.287	0.753	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)C1CC(F)(F)C1	ZINC000834479315	587755996	/nfs/dbraw/zinc/75/59/96/587755996.db2.gz	CHVFXZOUIISVCC-SFYZADRCSA-N	0	1	229.230	0.259	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC12CCOCC2	ZINC000834480084	587756147	/nfs/dbraw/zinc/75/61/47/587756147.db2.gz	KWSHNPABNHTRRG-GMTAPVOTSA-N	0	1	249.314	0.031	20	30		BCEDMN
Cc1cccnc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834479235	587756172	/nfs/dbraw/zinc/75/61/72/587756172.db2.gz	BHPVJTOUNFWITO-VHSXEESVSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1cscc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834479938	587756258	/nfs/dbraw/zinc/75/62/58/587756258.db2.gz	JQGVKUYNERMKRH-PSASIEDQSA-N	0	1	235.312	0.898	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(F)n1	ZINC000834479574	587756286	/nfs/dbraw/zinc/75/62/86/587756286.db2.gz	GEUCNAJHLZFTPD-VXNVDRBHSA-N	0	1	234.234	0.062	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21	ZINC000834481022	587756329	/nfs/dbraw/zinc/75/63/29/587756329.db2.gz	ZGHPZAYTUSFGNW-NZFPMDFQSA-N	0	1	219.288	0.260	20	30		BCEDMN
Cc1cc(F)cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834480460	587756346	/nfs/dbraw/zinc/75/63/46/587756346.db2.gz	QGPRUJSSWCCXEI-ZYHUDNBSSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1	ZINC000834483836	587756382	/nfs/dbraw/zinc/75/63/82/587756382.db2.gz	AGSVFQYZAHPOAG-NEPJUHHUSA-N	0	1	240.266	0.400	20	30		BCEDMN
C[C@@H]1C[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)CCO1	ZINC000834485336	587756613	/nfs/dbraw/zinc/75/66/13/587756613.db2.gz	VJCICROCTXRBHY-DBIOUOCHSA-N	0	1	237.303	0.029	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(N)cc1	ZINC000834485094	587756782	/nfs/dbraw/zinc/75/67/82/587756782.db2.gz	RRYUKSOIMNOLNS-PWSUYJOCSA-N	0	1	244.298	0.039	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)CC1CCOCC1	ZINC000834489752	587756907	/nfs/dbraw/zinc/75/69/07/587756907.db2.gz	PCIYUXHAZGCYGE-QWRGUYRKSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccncc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834489044	587756919	/nfs/dbraw/zinc/75/69/19/587756919.db2.gz	IRFGTKQMKHGOJJ-MWLCHTKSSA-N	0	1	230.271	0.231	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)cn1	ZINC000834490330	587756957	/nfs/dbraw/zinc/75/69/57/587756957.db2.gz	UEYZCRNKVOYQIY-RYUDHWBXSA-N	0	1	244.298	0.160	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccn1	ZINC000834494963	587757338	/nfs/dbraw/zinc/75/73/38/587757338.db2.gz	RKGIAHHRCGJVAM-ZYHUDNBSSA-N	0	1	244.298	0.242	20	30		BCEDMN
COCC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCC1	ZINC000834499175	587757365	/nfs/dbraw/zinc/75/73/65/587757365.db2.gz	FMRYNXKJILXANK-VHSXEESVSA-N	0	1	237.303	0.031	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccccn1	ZINC000834494962	587757567	/nfs/dbraw/zinc/75/75/67/587757567.db2.gz	RKGIAHHRCGJVAM-PWSUYJOCSA-N	0	1	244.298	0.242	20	30		BCEDMN
CO[C@H](C)CCC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834500336	587757672	/nfs/dbraw/zinc/75/76/72/587757672.db2.gz	SENPHXQEOLARSK-BBBLOLIVSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)o1	ZINC000834504644	587757685	/nfs/dbraw/zinc/75/76/85/587757685.db2.gz	DKQUNSDJKJDQFG-BDAKNGLRSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccccc1	ZINC000834505453	587757846	/nfs/dbraw/zinc/75/78/46/587757846.db2.gz	LEAMDXGPBWSMHJ-QWHCGFSZSA-N	0	1	243.310	0.847	20	30		BCEDMN
COc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1	ZINC000834505435	587757913	/nfs/dbraw/zinc/75/79/13/587757913.db2.gz	KUQVKUUJFVKXOG-CMPLNLGQSA-N	0	1	245.282	0.537	20	30		BCEDMN
C[C@]1(C(=O)N[C@H]2CNC[C@H]2C#N)CCCOC1	ZINC000834500334	587757919	/nfs/dbraw/zinc/75/79/19/587757919.db2.gz	SEDDXCGXXYXUNE-SCVCMEIPSA-N	0	1	237.303	0.031	20	30		BCEDMN
CCO[C@H](CC)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834500163	587757936	/nfs/dbraw/zinc/75/79/36/587757936.db2.gz	QOFFOHVFGQQFIN-KXUCPTDWSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1	ZINC000834504645	587757963	/nfs/dbraw/zinc/75/79/63/587757963.db2.gz	DKQUNSDJKJDQFG-DTWKUNHWSA-N	0	1	219.244	0.429	20	30		BCEDMN
C[C@]1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCCOC1	ZINC000834500332	587758025	/nfs/dbraw/zinc/75/80/25/587758025.db2.gz	SEDDXCGXXYXUNE-FOGDFJRCSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)s1	ZINC000834506561	587758077	/nfs/dbraw/zinc/75/80/77/587758077.db2.gz	UMTOOPCIYZVGBN-BDAKNGLRSA-N	0	1	235.312	0.898	20	30		BCEDMN
COc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834506683	587758116	/nfs/dbraw/zinc/75/81/16/587758116.db2.gz	UZVRZPCAELMRSB-KOLCDFICSA-N	0	1	245.282	0.537	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(F)c1	ZINC000834511203	587758219	/nfs/dbraw/zinc/75/82/19/587758219.db2.gz	JKDXTKZOPWCPLR-GXSJLCMTSA-N	0	1	233.246	0.667	20	30		BCEDMN
CCOCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1	ZINC000834506305	587758286	/nfs/dbraw/zinc/75/82/86/587758286.db2.gz	RVWBIGXMXPTCGK-NXEZZACHSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)s1	ZINC000834506562	587758350	/nfs/dbraw/zinc/75/83/50/587758350.db2.gz	UMTOOPCIYZVGBN-DTWKUNHWSA-N	0	1	235.312	0.898	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC1CCCC1	ZINC000834512185	587758404	/nfs/dbraw/zinc/75/84/04/587758404.db2.gz	SQMWFYVMJYOPDZ-GHMZBOCLSA-N	0	1	221.304	0.794	20	30		BCEDMN
Cc1ncsc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834521350	587758515	/nfs/dbraw/zinc/75/85/15/587758515.db2.gz	GVTZNPVVDFYISS-YUMQZZPRSA-N	0	1	236.300	0.293	20	30		BCEDMN
Cc1noc(C)c1CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834512615	587758667	/nfs/dbraw/zinc/75/86/67/587758667.db2.gz	ZHCIPBXCEAULGO-GXSJLCMTSA-N	0	1	248.286	0.062	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cn1	ZINC000834516767	587758695	/nfs/dbraw/zinc/75/86/95/587758695.db2.gz	LTRXROHQLIPYEJ-WDEREUQCSA-N	0	1	230.271	0.231	20	30		BCEDMN
C#CCn1cc(CNC(=O)C(F)(F)F)cn1	ZINC000834606392	587760615	/nfs/dbraw/zinc/76/06/15/587760615.db2.gz	KEKPXJPOHHBDHZ-UHFFFAOYSA-N	0	1	231.177	0.695	20	30		BCEDMN
C[C@@H]1CN=C(NN=C2CCc3cc(N)ccc32)N1	ZINC000834970829	587774343	/nfs/dbraw/zinc/77/43/43/587774343.db2.gz	QEGCZASEXZQNSM-MRVPVSSYSA-N	0	1	243.314	0.856	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCc3cc(N)ccc32)N1	ZINC000834970831	587774425	/nfs/dbraw/zinc/77/44/25/587774425.db2.gz	QEGCZASEXZQNSM-QMMMGPOBSA-N	0	1	243.314	0.856	20	30		BCEDMN
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C=C	ZINC000836359117	587831491	/nfs/dbraw/zinc/83/14/91/587831491.db2.gz	SXJYOXPTRKGPGH-NSHDSACASA-N	0	1	223.320	0.815	20	30		BCEDMN
C=C(CO)C(=O)N1CCN([C@@H](C)CC)CC1	ZINC000837005987	587847107	/nfs/dbraw/zinc/84/71/07/587847107.db2.gz	YCGNATRQGSGBLK-NSHDSACASA-N	0	1	226.320	0.478	20	30		BCEDMN
CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1	ZINC000837463857	587874907	/nfs/dbraw/zinc/87/49/07/587874907.db2.gz	SZRGMUSJWMCSBI-ZYHUDNBSSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCNC(=S)N1CCN(C)C[C@H]1CC	ZINC000840761097	587920441	/nfs/dbraw/zinc/92/04/41/587920441.db2.gz	QBROZWWEZPBHPH-SNVBAGLBSA-N	0	1	225.361	0.520	20	30		BCEDMN
Cc1cc(NC(=O)N[C@H]2CNC[C@@H]2C#N)ccn1	ZINC000841166227	587948085	/nfs/dbraw/zinc/94/80/85/587948085.db2.gz	MBDYIGABUZQRNP-ONGXEEELSA-N	0	1	245.286	0.045	20	30		BCEDMN
COc1ccc(C)cc1C=NNC1=NCCN1	ZINC000841658998	587968767	/nfs/dbraw/zinc/96/87/67/587968767.db2.gz	KIVGKPFHGDRDIM-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
C#CCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000841886198	587980720	/nfs/dbraw/zinc/98/07/20/587980720.db2.gz	LMXZDZDOAVWYDM-TXEJJXNPSA-N	0	1	235.331	0.936	20	30		BCEDMN
C#CCCCNC(=O)N1CCN[C@@H](C)C1	ZINC000841886714	587981302	/nfs/dbraw/zinc/98/13/02/587981302.db2.gz	RCMOZNGUPDCCAT-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
CC(C)[C@H](C#N)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842298139	588015350	/nfs/dbraw/zinc/01/53/50/588015350.db2.gz	DVPLRBIUTICKFW-PRJMDXOYSA-N	0	1	212.205	0.743	20	30		BCEDMN
C#C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842326607	588017912	/nfs/dbraw/zinc/01/79/12/588017912.db2.gz	DWLYTFUFGVDWIS-IWSPIJDZSA-N	0	1	209.201	0.607	20	30		BCEDMN
C#CCSCCOC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842360900	588020992	/nfs/dbraw/zinc/02/09/92/588020992.db2.gz	MGRJYWXZVXRBJC-HTQZYQBOSA-N	0	1	229.257	0.561	20	30		BCEDMN
C#CCC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000842375692	588022418	/nfs/dbraw/zinc/02/24/18/588022418.db2.gz	CMTPOZJGMDIPHT-IWSPIJDZSA-N	0	1	211.217	0.997	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)C1(F)CC1	ZINC000842682037	588052017	/nfs/dbraw/zinc/05/20/17/588052017.db2.gz	YDVGVXRRRKTGFI-MRVPVSSYSA-N	0	1	242.250	0.350	20	30		BCEDMN
C=C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OCC	ZINC000842981823	588074153	/nfs/dbraw/zinc/07/41/53/588074153.db2.gz	XVXXBOCMBWBBMB-BWZBUEFSSA-N	0	1	243.215	0.313	20	30		BCEDMN
C#CC1CCN([C@@H]2CC(=O)N(C)C2=O)CC1	ZINC000843270495	588096687	/nfs/dbraw/zinc/09/66/87/588096687.db2.gz	VVHWEOJWWGLVEY-SNVBAGLBSA-N	0	1	220.272	0.089	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1(C(F)F)CC1	ZINC000843461706	588112553	/nfs/dbraw/zinc/11/25/53/588112553.db2.gz	WHDYCANUYPUPPM-RNFRBKRXSA-N	0	1	229.230	0.259	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\c1ccco1	ZINC000843461642	588112562	/nfs/dbraw/zinc/11/25/62/588112562.db2.gz	MNLTWOUBNXTEJM-YUPSMKLTSA-N	0	1	231.255	0.521	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1	ZINC000844004765	588155003	/nfs/dbraw/zinc/15/50/03/588155003.db2.gz	FLFRNHGHJVUJCB-SNVBAGLBSA-N	0	1	232.287	0.989	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C/c1cccnc1	ZINC000844194237	588172987	/nfs/dbraw/zinc/17/29/87/588172987.db2.gz	CRUMBZJDLGFYGL-BLDJZWNYSA-N	0	1	242.282	0.323	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C1CC=CC1	ZINC000844194985	588173289	/nfs/dbraw/zinc/17/32/89/588173289.db2.gz	OPWQUPBVFZTAMA-NXEZZACHSA-N	0	1	205.261	0.180	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CC[C@@]2(CC2(F)F)C1	ZINC000844470835	588198113	/nfs/dbraw/zinc/19/81/13/588198113.db2.gz	LZNCZDGUKZTZMT-GXSJLCMTSA-N	0	1	242.269	0.855	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000867363197	588213288	/nfs/dbraw/zinc/21/32/88/588213288.db2.gz	MDWMDJPZYIERIH-JQWIXIFHSA-N	0	1	248.286	0.595	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@H](C)N1CC[NH+](C)CC1	ZINC000846546151	588274138	/nfs/dbraw/zinc/27/41/38/588274138.db2.gz	SGJNGQJKHWPFIW-QWRGUYRKSA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)[C@H](C)[NH+]1CCN(C)CC1	ZINC000846546151	588274139	/nfs/dbraw/zinc/27/41/39/588274139.db2.gz	SGJNGQJKHWPFIW-QWRGUYRKSA-N	0	1	241.335	0.245	20	30		BCEDMN
C=C[C@H](C)ONC(=O)Cc1ccnn1C	ZINC000846554123	588276659	/nfs/dbraw/zinc/27/66/59/588276659.db2.gz	HTDMZUVKXWDQQM-QMMMGPOBSA-N	0	1	209.249	0.585	20	30		BCEDMN
Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(O)c1	ZINC000846676612	588281924	/nfs/dbraw/zinc/28/19/24/588281924.db2.gz	FQSMLJLDBSTPLY-MWLCHTKSSA-N	0	1	245.282	0.542	20	30		BCEDMN
C#C[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC)C1	ZINC000847025043	588303757	/nfs/dbraw/zinc/30/37/57/588303757.db2.gz	BDEUFQDMBPYQPY-UWVGGRQHSA-N	0	1	237.303	0.176	20	30		BCEDMN
C#C[C@@H]1CCCN(CC(=O)NCC=C)C1	ZINC000847028749	588304190	/nfs/dbraw/zinc/30/41/90/588304190.db2.gz	KOVWBNYATDDHHW-LLVKDONJSA-N	0	1	206.289	0.634	20	30		BCEDMN
N#CCCCCC(=O)OCCc1c[nH]nn1	ZINC000847651642	588323161	/nfs/dbraw/zinc/32/31/61/588323161.db2.gz	GIDBQUGIUZMXKD-UHFFFAOYSA-N	0	1	222.248	0.974	20	30		BCEDMN
N#CCCCCC(=O)OCCc1cnn[nH]1	ZINC000847651642	588323163	/nfs/dbraw/zinc/32/31/63/588323163.db2.gz	GIDBQUGIUZMXKD-UHFFFAOYSA-N	0	1	222.248	0.974	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000847760295	588329458	/nfs/dbraw/zinc/32/94/58/588329458.db2.gz	HXPBQENKACKLMA-IUCAKERBSA-N	0	1	205.261	0.726	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)[C@@H](C)Cc1cnc[nH]1	ZINC000848035544	588349315	/nfs/dbraw/zinc/34/93/15/588349315.db2.gz	XVKWTPQLETWREP-JQWIXIFHSA-N	0	1	249.314	0.479	20	30		BCEDMN
C#C[C@H]1CCCN(CN2CCOC2=S)C1	ZINC000848492960	588386681	/nfs/dbraw/zinc/38/66/81/588386681.db2.gz	ICEJIZZVUSZMGX-JTQLQIEISA-N	0	1	224.329	0.906	20	30		BCEDMN
N#Cc1nccc(NOC[C@@H]2CCOC2)n1	ZINC000848688643	588405617	/nfs/dbraw/zinc/40/56/17/588405617.db2.gz	RJSDNIWBBPQVKQ-MRVPVSSYSA-N	0	1	220.232	0.728	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000850763376	588564614	/nfs/dbraw/zinc/56/46/14/588564614.db2.gz	DDLICUKWBXVIAS-RYPBNFRJSA-N	0	1	206.245	0.487	20	30		BCEDMN
CCn1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)n1	ZINC000850757611	588565666	/nfs/dbraw/zinc/56/56/66/588565666.db2.gz	NCUBMWBQTDEMTC-DTWKUNHWSA-N	0	1	248.290	0.136	20	30		BCEDMN
CCn1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)n1	ZINC000850757610	588565952	/nfs/dbraw/zinc/56/59/52/588565952.db2.gz	NCUBMWBQTDEMTC-BDAKNGLRSA-N	0	1	248.290	0.136	20	30		BCEDMN
C=CCN(CCc1c[nH]nn1)CC(=O)OCC	ZINC000851737390	588620235	/nfs/dbraw/zinc/62/02/35/588620235.db2.gz	BKCBJRLYXGNJCP-UHFFFAOYSA-N	0	1	238.291	0.398	20	30		BCEDMN
C#CCOCCN(C)Cc1cnn(CC)c1	ZINC000851773522	588625913	/nfs/dbraw/zinc/62/59/13/588625913.db2.gz	OCAJGVWPRXFYMU-UHFFFAOYSA-N	0	1	221.304	0.985	20	30		BCEDMN
C#CCN(CC#C)C[C@@H](OC)[C@@H]1CCOC1	ZINC000851793675	588629333	/nfs/dbraw/zinc/62/93/33/588629333.db2.gz	GWJLNMGISGVHCV-CHWSQXEVSA-N	0	1	221.300	0.606	20	30		BCEDMN
C#CCN(CC#C)C[C@H](OC)[C@H]1CCOC1	ZINC000851793678	588629422	/nfs/dbraw/zinc/62/94/22/588629422.db2.gz	GWJLNMGISGVHCV-STQMWFEESA-N	0	1	221.300	0.606	20	30		BCEDMN
C#CCCN1CCN(Cc2cn[nH]c2)CC1	ZINC000851873321	588637878	/nfs/dbraw/zinc/63/78/78/588637878.db2.gz	VDRSDJSSMDUZQS-UHFFFAOYSA-N	0	1	218.304	0.551	20	30		BCEDMN
C#C[C@H](NC[C@@H]1CCC(=O)O1)[C@@H]1CCCO1	ZINC000851949809	588646918	/nfs/dbraw/zinc/64/69/18/588646918.db2.gz	JQBKAICICCQVRK-DCAQKATOSA-N	0	1	223.272	0.462	20	30		BCEDMN
C#C[C@H](N[C@H]1CCN(CC)C1=O)[C@H]1CCCO1	ZINC000851951109	588647066	/nfs/dbraw/zinc/64/70/66/588647066.db2.gz	UXAVYUREUMPHNJ-SDDRHHMPSA-N	0	1	236.315	0.378	20	30		BCEDMN
C#CCOCCN(CC)C[C@@H](O)C(F)(F)F	ZINC000851955327	588647668	/nfs/dbraw/zinc/64/76/68/588647668.db2.gz	FTCDEVSDQIUIEA-SECBINFHSA-N	0	1	239.237	0.881	20	30		BCEDMN
C#C[C@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000851989957	588652069	/nfs/dbraw/zinc/65/20/69/588652069.db2.gz	MILLVKYVISPJDD-FZMZJTMJSA-N	0	1	246.310	0.313	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)CCOC(F)F)C1=O	ZINC000852007512	588654599	/nfs/dbraw/zinc/65/45/99/588654599.db2.gz	OBCXRBDMTWHSSW-SECBINFHSA-N	0	1	248.273	0.944	20	30		BCEDMN
C=C(Cl)CN(C)Cc1n[nH]c(=O)o1	ZINC000852186750	588670332	/nfs/dbraw/zinc/67/03/32/588670332.db2.gz	IMKQHXGYABHAIP-UHFFFAOYSA-N	0	1	203.629	0.960	20	30		BCEDMN
C[C@@H](C#N)OCC[N@H+](C)Cc1n[n-]c(=O)o1	ZINC000852188096	588670947	/nfs/dbraw/zinc/67/09/47/588670947.db2.gz	WJBMJBYEPLMZLR-ZETCQYMHSA-N	0	1	226.236	0.136	20	30		BCEDMN
C[C@@H](C#N)OCC[N@@H+](C)Cc1n[n-]c(=O)o1	ZINC000852188096	588670948	/nfs/dbraw/zinc/67/09/48/588670948.db2.gz	WJBMJBYEPLMZLR-ZETCQYMHSA-N	0	1	226.236	0.136	20	30		BCEDMN
C#CC[C@@H]1CCCN([C@H]2CON(CC)C2=O)C1	ZINC000852206495	588671864	/nfs/dbraw/zinc/67/18/64/588671864.db2.gz	KWIDNCLIPCYRDJ-NEPJUHHUSA-N	0	1	236.315	0.884	20	30		BCEDMN
C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852757478	588700483	/nfs/dbraw/zinc/70/04/83/588700483.db2.gz	DRUAHUKFSMIUEU-SFYZADRCSA-N	0	1	249.236	0.899	20	30		BCEDMN
C[C@H](Cc1ccco1)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852827525	588706330	/nfs/dbraw/zinc/70/63/30/588706330.db2.gz	KBHGPZXLKMLJFG-FOGDFJRCSA-N	0	1	247.298	0.686	20	30		BCEDMN
CCCn1nccc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852827828	588706404	/nfs/dbraw/zinc/70/64/04/588706404.db2.gz	QGBGDYRRBWTYJD-NXEZZACHSA-N	0	1	247.302	0.134	20	30		BCEDMN
CCCn1nccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000852827831	588706415	/nfs/dbraw/zinc/70/64/15/588706415.db2.gz	QGBGDYRRBWTYJD-ZJUUUORDSA-N	0	1	247.302	0.134	20	30		BCEDMN
N#CC1(CC(=O)OCCN2CCC2)CC1	ZINC000861390663	589164147	/nfs/dbraw/zinc/16/41/47/589164147.db2.gz	IPOWBNVDXQWCJT-UHFFFAOYSA-N	0	1	208.261	0.929	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)NC[C@H]1COCCN1	ZINC000861683857	589174068	/nfs/dbraw/zinc/17/40/68/589174068.db2.gz	BVFPNRUVWFPBHL-QWRGUYRKSA-N	0	1	239.319	0.076	20	30		BCEDMN
C[N@H+]1CCC(=NOCC(N)=O)CC1(C)C	ZINC000863104326	589256225	/nfs/dbraw/zinc/25/62/25/589256225.db2.gz	BIPUUNDLWBNQLS-UHFFFAOYSA-N	0	1	213.281	0.349	20	30		BCEDMN
CC(C)(O)CNN=C1C[N@H+]2C[C@@H]1CCC2	ZINC000863137453	589262255	/nfs/dbraw/zinc/26/22/55/589262255.db2.gz	ZDWWGURZPBOQFY-VIFPVBQESA-N	0	1	211.309	0.429	20	30		BCEDMN
Cc1cnccc1NN=C1C(=O)OC[C@@H]1C	ZINC000863158350	589263886	/nfs/dbraw/zinc/26/38/86/589263886.db2.gz	YIKOFXOIVPKUDR-QMMMGPOBSA-N	0	1	219.244	0.773	20	30		BCEDMN
CCn1ncnc1C=NNc1ccncc1C	ZINC000863157629	589263921	/nfs/dbraw/zinc/26/39/21/589263921.db2.gz	DAQLPKVIFBEWMT-UHFFFAOYSA-N	0	1	230.275	0.869	20	30		BCEDMN
O=C1CN=C(NN=C2CCC[N@H+]3CCCC[C@@H]23)N1	ZINC000863176656	589268880	/nfs/dbraw/zinc/26/88/80/589268880.db2.gz	YYAQYWAVHNEYND-JTQLQIEISA-N	0	1	249.318	0.066	20	30		BCEDMN
COCC(COC)NN=C1CCN2CCC[C@@H]12	ZINC000863195431	589270699	/nfs/dbraw/zinc/27/06/99/589270699.db2.gz	ZACCEPRUIUQMOX-LBPRGKRZSA-N	0	1	241.335	0.462	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)CN(C)C	ZINC000863788665	589318173	/nfs/dbraw/zinc/31/81/73/589318173.db2.gz	RNFPSSJUBKLQNQ-SNVBAGLBSA-N	0	1	212.293	0.093	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)CN(C)C1CCC1	ZINC000863913859	589325775	/nfs/dbraw/zinc/32/57/75/589325775.db2.gz	VGKYCWRMWFRJDF-LBPRGKRZSA-N	0	1	238.331	0.361	20	30		BCEDMN
C=C1CCN(C(=O)NCc2n[nH]c(C)n2)CC1	ZINC000864253051	589350469	/nfs/dbraw/zinc/35/04/69/589350469.db2.gz	LNNGYWZOSQCMTQ-UHFFFAOYSA-N	0	1	235.291	0.975	20	30		BCEDMN
C#CCNC(=O)N1CCNC[C@H]1C(C)C	ZINC000865343497	589422873	/nfs/dbraw/zinc/42/28/73/589422873.db2.gz	LAFPDQDEWDASRC-JTQLQIEISA-N	0	1	209.293	0.259	20	30		BCEDMN
C=C(Cl)CNC(=O)CCc1c[nH]nn1	ZINC000865962101	589470364	/nfs/dbraw/zinc/47/03/64/589470364.db2.gz	UFASMZBOOZHVRO-UHFFFAOYSA-N	0	1	214.656	0.606	20	30		BCEDMN
C=C(Cl)CNC(=O)CCc1cnn[nH]1	ZINC000865962101	589470365	/nfs/dbraw/zinc/47/03/65/589470365.db2.gz	UFASMZBOOZHVRO-UHFFFAOYSA-N	0	1	214.656	0.606	20	30		BCEDMN
C=CCCN(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000867683909	589530815	/nfs/dbraw/zinc/53/08/15/589530815.db2.gz	FGZDYCCQHYNQNV-VIFPVBQESA-N	0	1	209.249	0.478	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@H](O)c1c[nH]cn1	ZINC000867755188	589533048	/nfs/dbraw/zinc/53/30/48/589533048.db2.gz	FJWCFSMZILACPZ-SNVBAGLBSA-N	0	1	239.275	0.104	20	30		BCEDMN
CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21	ZINC000867953224	589541464	/nfs/dbraw/zinc/54/14/64/589541464.db2.gz	QOVQESIMHFJWLY-GFCCVEGCSA-N	0	1	229.283	0.881	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCCCO1	ZINC000121987186	589546505	/nfs/dbraw/zinc/54/65/05/589546505.db2.gz	IISBSJJOQBICOL-ZJUUUORDSA-N	0	1	236.271	0.543	20	30		BCEDMN
C#C[C@H](NC(=O)Cc1nnc[nH]1)C(C)(C)C	ZINC000868370129	589556044	/nfs/dbraw/zinc/55/60/44/589556044.db2.gz	DQCDPXPKVWXOMD-QMMMGPOBSA-N	0	1	220.276	0.511	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1nn[nH]n1)C(C)(C)C	ZINC000868371682	589556388	/nfs/dbraw/zinc/55/63/88/589556388.db2.gz	XMCIRCVMOYAVOX-QMMMGPOBSA-N	0	1	235.291	0.296	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)CCc1nn[nH]n1	ZINC000868630179	589569523	/nfs/dbraw/zinc/56/95/23/589569523.db2.gz	RXFYLXBMRQNBFH-JTQLQIEISA-N	0	1	221.264	0.050	20	30		BCEDMN
C=CCO[N-]C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000868763227	589575846	/nfs/dbraw/zinc/57/58/46/589575846.db2.gz	FPXDUDYKUKVNNZ-VHSXEESVSA-N	0	1	212.293	0.951	20	30		BCEDMN
C=CCO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC000868763227	589575849	/nfs/dbraw/zinc/57/58/49/589575849.db2.gz	FPXDUDYKUKVNNZ-VHSXEESVSA-N	0	1	212.293	0.951	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869073273	589585619	/nfs/dbraw/zinc/58/56/19/589585619.db2.gz	GPYFOHAQNRXFLY-CMPLNLGQSA-N	0	1	247.298	0.705	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869187185	589592503	/nfs/dbraw/zinc/59/25/03/589592503.db2.gz	NYMJXCKCPQUNLX-SECBINFHSA-N	0	1	218.260	0.219	20	30		BCEDMN
C#C[C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869187186	589592714	/nfs/dbraw/zinc/59/27/14/589592714.db2.gz	NYMJXCKCPQUNLX-VIFPVBQESA-N	0	1	218.260	0.219	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC000869252062	589594040	/nfs/dbraw/zinc/59/40/40/589594040.db2.gz	BQDFPVMTGLEUHF-VHSXEESVSA-N	0	1	210.277	0.398	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC000869252062	589594041	/nfs/dbraw/zinc/59/40/41/589594041.db2.gz	BQDFPVMTGLEUHF-VHSXEESVSA-N	0	1	210.277	0.398	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869294168	589596543	/nfs/dbraw/zinc/59/65/43/589596543.db2.gz	IKCZSMKDSSPOKG-MWLCHTKSSA-N	0	1	234.259	0.205	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869393604	589603100	/nfs/dbraw/zinc/60/31/00/589603100.db2.gz	OCZLKOJDRBYGGT-ONGXEEELSA-N	0	1	233.271	0.315	20	30		BCEDMN
C=CC[C@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000869395353	589603547	/nfs/dbraw/zinc/60/35/47/589603547.db2.gz	WJLKDYGQRSPJIT-GXSJLCMTSA-N	0	1	235.287	0.868	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C	ZINC000870154093	589646135	/nfs/dbraw/zinc/64/61/35/589646135.db2.gz	YMVKHVJCKHZTDA-SRQGCSHVSA-N	0	1	220.272	0.733	20	30		BCEDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@@H]1C#N	ZINC000870668561	589681800	/nfs/dbraw/zinc/68/18/00/589681800.db2.gz	CJLCLAMOFMCMGD-DOLQZWNJSA-N	0	1	237.259	0.802	20	30		BCEDMN
N#CC(C(=O)CN1CCOCC1)c1ccccn1	ZINC000123825586	589825054	/nfs/dbraw/zinc/82/50/54/589825054.db2.gz	XBSCELIBYQELAL-LLVKDONJSA-N	0	1	245.282	0.590	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N[C@H]1CCCn2nccc21	ZINC000871930665	589833771	/nfs/dbraw/zinc/83/37/71/589833771.db2.gz	ZDCJDKCCPYEIFJ-MNOVXSKESA-N	0	1	246.314	0.446	20	30		BCEDMN
COC(=O)C1CC(NC[C@@H](C#N)CCC#N)C1	ZINC000872227618	589897739	/nfs/dbraw/zinc/89/77/39/589897739.db2.gz	OQNBFBGBBCQZDY-KPPDAEKUSA-N	0	1	235.287	0.971	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2	ZINC000872288011	589906697	/nfs/dbraw/zinc/90/66/97/589906697.db2.gz	RVCSKMPSOILKGM-UZWSLXQKSA-N	0	1	249.314	0.173	20	30		BCEDMN
Cc1nnc(N=NC2CC[N@@H+](C)[C@H]2C)[n-]c1=O	ZINC000872331694	589913599	/nfs/dbraw/zinc/91/35/99/589913599.db2.gz	RLQMQESZXOXSLA-ZETCQYMHSA-N	0	1	236.279	0.378	20	30		BCEDMN
NC(=O)CON=C1CCC[N@H+]2CCSC[C@H]12	ZINC000872362061	589919285	/nfs/dbraw/zinc/91/92/85/589919285.db2.gz	CECBFTIQWHWFNI-SECBINFHSA-N	0	1	243.332	0.056	20	30		BCEDMN
NC(=O)CON=C1CCCN2CCSC[C@H]12	ZINC000872362061	589919286	/nfs/dbraw/zinc/91/92/86/589919286.db2.gz	CECBFTIQWHWFNI-SECBINFHSA-N	0	1	243.332	0.056	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2c[nH]c3ncncc23)N1	ZINC000872364800	589920367	/nfs/dbraw/zinc/92/03/67/589920367.db2.gz	UKCZGMVFNPDMQE-ZETCQYMHSA-N	0	1	243.274	0.181	20	30		BCEDMN
C[C@H]1C(N=Nc2cnn(C)c2)CCN1C	ZINC000872369522	589923299	/nfs/dbraw/zinc/92/32/99/589923299.db2.gz	LOZSTYTVMHHHGD-QMMMGPOBSA-N	0	1	207.281	0.912	20	30		BCEDMN
Cc1ccnc(N)c1C=NNCC(C)(C)CO	ZINC000872371892	589923835	/nfs/dbraw/zinc/92/38/35/589923835.db2.gz	TTWWLYNPMGDNSU-UHFFFAOYSA-N	0	1	236.319	0.914	20	30		BCEDMN
CCCn1cc(CN=Nc2cnnn2C)nn1	ZINC000872379366	589927548	/nfs/dbraw/zinc/92/75/48/589927548.db2.gz	VQLSZXHTVINOER-UHFFFAOYSA-N	0	1	234.267	0.263	20	30		BCEDMN
C[C@@H]1C(N=Nc2ccncn2)CCN1C	ZINC000872381161	589927831	/nfs/dbraw/zinc/92/78/31/589927831.db2.gz	XMZWRLZFZNAMTE-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
CCCn1cc(CN=Nc2ccncn2)nn1	ZINC000872380234	589927846	/nfs/dbraw/zinc/92/78/46/589927846.db2.gz	DUFGCNPRVJQOOW-UHFFFAOYSA-N	0	1	231.263	0.924	20	30		BCEDMN
Cc1ccnc(N)c1C=NN[C@@H]1CCC[C@H]1O	ZINC000872385775	589929324	/nfs/dbraw/zinc/92/93/24/589929324.db2.gz	POQXVPFDCSBQGO-GHMZBOCLSA-N	0	1	234.303	0.809	20	30		BCEDMN
Cc1ccnc(N)c1C=NNCC(C)(C)O	ZINC000872392026	589931057	/nfs/dbraw/zinc/93/10/57/589931057.db2.gz	RXYAFHPDFMWIIV-UHFFFAOYSA-N	0	1	222.292	0.667	20	30		BCEDMN
C=CCCn1cc(CNC[C@H]2C[C@H](O)C2)nn1	ZINC000873178739	589990683	/nfs/dbraw/zinc/99/06/83/589990683.db2.gz	ZOFYTXLHEUSESL-UMSPYCQHSA-N	0	1	236.319	0.715	20	30		BCEDMN
CCCN(C(=O)C(C)C#N)[C@@H](C)C(=O)OC	ZINC000888618076	589997421	/nfs/dbraw/zinc/99/74/21/589997421.db2.gz	RMYWURDRNZKYBN-BDAKNGLRSA-N	0	1	226.276	0.946	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)NCCCc1cn[nH]c1C	ZINC000873993214	590084268	/nfs/dbraw/zinc/08/42/68/590084268.db2.gz	FTXPRPUESRRCHN-NSHDSACASA-N	0	1	249.314	0.805	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)CN1CCCC1	ZINC000874261596	590100466	/nfs/dbraw/zinc/10/04/66/590100466.db2.gz	VCWKDVSRYOMHOK-NSHDSACASA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCN(C(=O)CCCc1nn[nH]n1)C(C)C	ZINC000874353135	590105649	/nfs/dbraw/zinc/10/56/49/590105649.db2.gz	YOJKABWEQDYWBA-UHFFFAOYSA-N	0	1	237.307	0.945	20	30		BCEDMN
C#C[C@H]1CC[C@H](NC(=O)Cc2nnc[nH]2)CC1	ZINC000874859024	590149314	/nfs/dbraw/zinc/14/93/14/590149314.db2.gz	DIXOMPVNOHTFOC-MGCOHNPYSA-N	0	1	232.287	0.655	20	30		BCEDMN
C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1	ZINC000876789934	590241519	/nfs/dbraw/zinc/24/15/19/590241519.db2.gz	NNAUBWXEIDYGDT-VIFPVBQESA-N	0	1	231.727	0.230	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)C12CC(C1)C2	ZINC000876801403	590243153	/nfs/dbraw/zinc/24/31/53/590243153.db2.gz	BVICUPAEZNHEDL-VCZAYRLQSA-N	0	1	205.261	0.014	20	30		BCEDMN
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000876801763	590243387	/nfs/dbraw/zinc/24/33/87/590243387.db2.gz	ILNMVORKBXZSIE-VXXUGFECSA-N	0	1	233.315	0.506	20	30		BCEDMN
CCn1ncc(C(=O)N[C@H]2CNC[C@H]2C#N)c1C	ZINC000876801466	590243474	/nfs/dbraw/zinc/24/34/74/590243474.db2.gz	CXFWCBFHTWAVKA-KOLCDFICSA-N	0	1	247.302	0.053	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1ocnc1C1CC1	ZINC000876802808	590243976	/nfs/dbraw/zinc/24/39/76/590243976.db2.gz	SEWPHYJRBIHBDK-RKDXNWHRSA-N	0	1	246.270	0.393	20	30		BCEDMN
CC(C)c1nocc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876803335	590244163	/nfs/dbraw/zinc/24/41/63/590244163.db2.gz	VVITZKVCEDUWLC-SCZZXKLOSA-N	0	1	248.286	0.639	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1N	ZINC000876803956	590244332	/nfs/dbraw/zinc/24/43/32/590244332.db2.gz	ZWCDXFWTDCZTDZ-WRWORJQWSA-N	0	1	248.261	0.249	20	30		BCEDMN
C#C[C@H](C)NCc1ccc(S(N)(=O)=O)cc1	ZINC000877513516	590344947	/nfs/dbraw/zinc/34/49/47/590344947.db2.gz	ALWZHAKTDJPTEH-VIFPVBQESA-N	0	1	238.312	0.445	20	30		BCEDMN
C#Cc1ccc(CN2CCN(C)C[C@H]2CO)cc1	ZINC000877643746	590382428	/nfs/dbraw/zinc/38/24/28/590382428.db2.gz	IAWBSHDTZCBDRN-HNNXBMFYSA-N	0	1	244.338	0.776	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(C(=O)COC)CC1	ZINC000877967196	590461076	/nfs/dbraw/zinc/46/10/76/590461076.db2.gz	IORNSKSBPTZZSK-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCC[C@@](C)(O)C1	ZINC000878328257	590547497	/nfs/dbraw/zinc/54/74/97/590547497.db2.gz	FZXCTFFXQHDNSX-CMPLNLGQSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H]([C@H](C)O)C1	ZINC000878391000	590558549	/nfs/dbraw/zinc/55/85/49/590558549.db2.gz	GLZXRRHVSKAKMA-GARJFASQSA-N	0	1	227.304	0.807	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@@H](C(=O)NC)C1	ZINC000878397573	590559670	/nfs/dbraw/zinc/55/96/70/590559670.db2.gz	WRURSYGWNXJNMS-VHSXEESVSA-N	0	1	212.293	0.398	20	30		BCEDMN
C#CCCCCCN1CCn2c(n[nH]c2=O)C1	ZINC000878432732	590566350	/nfs/dbraw/zinc/56/63/50/590566350.db2.gz	IAZUYGUACVPZBK-UHFFFAOYSA-N	0	1	234.303	0.993	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(CCO)CC1CC1	ZINC000878602215	590595072	/nfs/dbraw/zinc/59/50/72/590595072.db2.gz	SOTIZYODXCUCFG-NSHDSACASA-N	0	1	227.304	0.808	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1C[C@H](O)C[C@H](C)C1	ZINC000878691803	590610384	/nfs/dbraw/zinc/61/03/84/590610384.db2.gz	SNMYKFCIDKLENW-HBNTYKKESA-N	0	1	227.304	0.807	20	30		BCEDMN
C#CCN1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000878796284	590624945	/nfs/dbraw/zinc/62/49/45/590624945.db2.gz	GACSDDUUOFIQMZ-MRVPVSSYSA-N	0	1	219.244	0.310	20	30		BCEDMN
C[C@H](CC#N)NC[C@H](O)C[C@](C)(O)C1CC1	ZINC000878820601	590627866	/nfs/dbraw/zinc/62/78/66/590627866.db2.gz	NABQHCQWWBOLTO-JLLWLGSASA-N	0	1	226.320	0.790	20	30		BCEDMN
C#CCCCN1CCN(CC(F)(F)CO)CC1	ZINC000878831643	590628372	/nfs/dbraw/zinc/62/83/72/590628372.db2.gz	HXIULIUZMYLXCC-UHFFFAOYSA-N	0	1	246.301	0.645	20	30		BCEDMN
C#CCN(C[C@H](COC)OC)C1CSC1	ZINC000878909784	590646468	/nfs/dbraw/zinc/64/64/68/590646468.db2.gz	BVEPAFFJDUYNOX-LLVKDONJSA-N	0	1	229.345	0.698	20	30		BCEDMN
CSC1CCN(CC(=O)NCCC#N)CC1	ZINC000879096256	590696635	/nfs/dbraw/zinc/69/66/35/590696635.db2.gz	PZFKRBMEJSEJDK-UHFFFAOYSA-N	0	1	241.360	0.844	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1cnn(C)c1	ZINC000879190621	590712272	/nfs/dbraw/zinc/71/22/72/590712272.db2.gz	RLOMEXHBVGDELM-GFCCVEGCSA-N	0	1	246.314	0.248	20	30		BCEDMN
C#CCNC(=O)CCN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000879308812	590735014	/nfs/dbraw/zinc/73/50/14/590735014.db2.gz	IAZGWTDUHPQNBZ-VXGBXAGGSA-N	0	1	233.315	0.750	20	30		BCEDMN
C#CCNC(=O)CCN(C)[C@H]1CCC[C@H]1C#N	ZINC000879308811	590735559	/nfs/dbraw/zinc/73/55/59/590735559.db2.gz	IAZGWTDUHPQNBZ-RYUDHWBXSA-N	0	1	233.315	0.750	20	30		BCEDMN
C=C(Cl)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC000879532090	590794212	/nfs/dbraw/zinc/79/42/12/590794212.db2.gz	PHLXJHXMBIAIQP-OCAPTIKFSA-N	0	1	228.679	0.286	20	30		BCEDMN
C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#CCO	ZINC000879880674	590886562	/nfs/dbraw/zinc/88/65/62/590886562.db2.gz	PSOUCNWWJFQUDM-JOYOIKCWSA-N	0	1	247.298	0.188	20	30		BCEDMN
C=CCCN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1	ZINC000879931489	590890703	/nfs/dbraw/zinc/89/07/03/590890703.db2.gz	LNLMDFIIMVLTTD-GHMZBOCLSA-N	0	1	229.345	0.929	20	30		BCEDMN
C#CCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000879940467	590892058	/nfs/dbraw/zinc/89/20/58/590892058.db2.gz	OFFZAGSQPYRIGZ-NEPJUHHUSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#CCN1CCN(C(=O)c2cc(C)[nH]n2)CC1	ZINC000128148932	590911649	/nfs/dbraw/zinc/91/16/49/590911649.db2.gz	BIHMUQKMPQPGAT-UHFFFAOYSA-N	0	1	232.287	0.109	20	30		BCEDMN
N#CCCNC(=O)CN1CCC[C@@H](CF)C1	ZINC000880235005	590966031	/nfs/dbraw/zinc/96/60/31/590966031.db2.gz	MRELQGKXHMLOLW-JTQLQIEISA-N	0	1	227.283	0.698	20	30		BCEDMN
C#CCC1(O)CCN(Cc2cn[nH]c2)CC1	ZINC000880484552	591058303	/nfs/dbraw/zinc/05/83/03/591058303.db2.gz	ZTJDMINVSYOYAT-UHFFFAOYSA-N	0	1	219.288	0.760	20	30		BCEDMN
CCC#C[C@H](C)[N@H+]1CC[C@@](O)(C(=O)OC)C1	ZINC000880564389	591094484	/nfs/dbraw/zinc/09/44/84/591094484.db2.gz	LNWWQVLSGPQSFC-JQWIXIFHSA-N	0	1	225.288	0.398	20	30		BCEDMN
CCC#C[C@H](C)N1CC[C@@](O)(C(=O)OC)C1	ZINC000880564389	591094487	/nfs/dbraw/zinc/09/44/87/591094487.db2.gz	LNWWQVLSGPQSFC-JQWIXIFHSA-N	0	1	225.288	0.398	20	30		BCEDMN
C=CCC(F)(F)C(=O)NCc1n[nH]c(=O)n1C	ZINC000880650283	591118891	/nfs/dbraw/zinc/11/88/91/591118891.db2.gz	PXYBPIGDTQPHLS-UHFFFAOYSA-N	0	1	246.217	0.348	20	30		BCEDMN
C#CC(C)(C)NS(=O)(=O)CCN(CC)CC	ZINC000881889301	591276629	/nfs/dbraw/zinc/27/66/29/591276629.db2.gz	XVMPMMCRWQVJMY-UHFFFAOYSA-N	0	1	246.376	0.659	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1cc(C#N)cn1C	ZINC000882487943	591364349	/nfs/dbraw/zinc/36/43/49/591364349.db2.gz	LTZHZDRKHFPSHV-NSHDSACASA-N	0	1	246.314	0.721	20	30		BCEDMN
C#Cc1ccc(C(=O)NC[C@H]2CCN2CC)nc1	ZINC000882486983	591364957	/nfs/dbraw/zinc/36/49/57/591364957.db2.gz	ZJOZCDNZMOWDRG-GFCCVEGCSA-N	0	1	243.310	0.887	20	30		BCEDMN
C#CCC(CC#C)C(=O)NC[C@H]1CCN1CC	ZINC000882491977	591372078	/nfs/dbraw/zinc/37/20/78/591372078.db2.gz	ODQIIZICZBYDQI-CYBMUJFWSA-N	0	1	232.327	0.860	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)c1ccc(C#N)n1C	ZINC000882495236	591373951	/nfs/dbraw/zinc/37/39/51/591373951.db2.gz	XBDORCGIHPQIPG-LLVKDONJSA-N	0	1	246.314	0.721	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CN(CC)C1CC1	ZINC000882896988	591468681	/nfs/dbraw/zinc/46/86/81/591468681.db2.gz	XLPZQLJVTIRIQI-NSHDSACASA-N	0	1	240.347	0.914	20	30		BCEDMN
C#Cc1cnc(NC[C@H]2CCN2CC)nc1	ZINC000882959117	591486190	/nfs/dbraw/zinc/48/61/90/591486190.db2.gz	VKRHAHNTWDKVAT-LLVKDONJSA-N	0	1	216.288	0.964	20	30		BCEDMN
C#CCOCCC(=O)NCCCc1cn[nH]c1C	ZINC000131267857	591579741	/nfs/dbraw/zinc/57/97/41/591579741.db2.gz	CWJDBKGRCNBBTG-UHFFFAOYSA-N	0	1	249.314	0.807	20	30		BCEDMN
C#CCCNC(=O)NC[C@@H]1CCN1CC	ZINC000883487438	591680969	/nfs/dbraw/zinc/68/09/69/591680969.db2.gz	NAHXBFHTJGNMTH-JTQLQIEISA-N	0	1	209.293	0.403	20	30		BCEDMN
C=C(C)C[C@H](CO)NCc1ncnn1CC	ZINC000883399438	591640612	/nfs/dbraw/zinc/64/06/12/591640612.db2.gz	MOQQIFZKJZUQSC-SNVBAGLBSA-N	0	1	224.308	0.715	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1cncnc1OC	ZINC000883400808	591647636	/nfs/dbraw/zinc/64/76/36/591647636.db2.gz	VVTRMMMAJWTJJA-NSHDSACASA-N	0	1	237.303	0.902	20	30		BCEDMN
C#CCCCNC(=O)NC[C@H]1CCN1CC	ZINC000883476022	591678312	/nfs/dbraw/zinc/67/83/12/591678312.db2.gz	ZZSQTRUIQOOMMB-LLVKDONJSA-N	0	1	223.320	0.793	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1CC	ZINC000883508069	591684928	/nfs/dbraw/zinc/68/49/28/591684928.db2.gz	OSGRBAOOTDFEPG-ZJUUUORDSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=C[C@@H](C)NC(=O)NC[C@@H]1CCN1CC	ZINC000883508069	591684931	/nfs/dbraw/zinc/68/49/31/591684931.db2.gz	OSGRBAOOTDFEPG-ZJUUUORDSA-N	0	1	211.309	0.954	20	30		BCEDMN
C#C[C@H](C)NC(=O)NC[C@@H]1CCN1CC	ZINC000883581250	591695340	/nfs/dbraw/zinc/69/53/40/591695340.db2.gz	SUQOFLBQNAOWRY-UWVGGRQHSA-N	0	1	209.293	0.402	20	30		BCEDMN
C=CCCNC(=O)NC[C@H]1CCN1CC	ZINC000883718138	591726086	/nfs/dbraw/zinc/72/60/86/591726086.db2.gz	BLCPCAAFHOALNI-SNVBAGLBSA-N	0	1	211.309	0.956	20	30		BCEDMN
C=CCONC(=O)N1CC[N@H+](C)C(C)(C)C1	ZINC000883733546	591730711	/nfs/dbraw/zinc/73/07/11/591730711.db2.gz	YHDGJBGBVSIFAI-UHFFFAOYSA-N	0	1	227.308	0.840	20	30		BCEDMN
C=CCONC(=O)N1CCN(C)C(C)(C)C1	ZINC000883733546	591730714	/nfs/dbraw/zinc/73/07/14/591730714.db2.gz	YHDGJBGBVSIFAI-UHFFFAOYSA-N	0	1	227.308	0.840	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NC[C@H]1CCN1CC	ZINC000883763855	591736708	/nfs/dbraw/zinc/73/67/08/591736708.db2.gz	KOOLSKDUURRWJX-VHSXEESVSA-N	0	1	227.308	0.886	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H](C)N1	ZINC000884030306	591813837	/nfs/dbraw/zinc/81/38/37/591813837.db2.gz	LVVYQNBFEMLKQO-DTORHVGOSA-N	0	1	232.287	0.709	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1	ZINC000884031774	591814764	/nfs/dbraw/zinc/81/47/64/591814764.db2.gz	ZMJFPCWGDNYILR-MRVPVSSYSA-N	0	1	218.260	0.320	20	30		BCEDMN
C=CC(C)(C)CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000884250298	591884001	/nfs/dbraw/zinc/88/40/01/591884001.db2.gz	BLFXMCVYPZINJL-UWVGGRQHSA-N	0	1	221.304	0.816	20	30		BCEDMN
Cc1coc(C(=O)N[C@H]2CNC[C@H]2C#N)c1	ZINC000884250733	591884227	/nfs/dbraw/zinc/88/42/27/591884227.db2.gz	MOCXWDOBFXACPM-BDAKNGLRSA-N	0	1	219.244	0.429	20	30		BCEDMN
Cc1cnc(F)cc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000884249838	591884338	/nfs/dbraw/zinc/88/43/38/591884338.db2.gz	SAPZQZJEXUEPHY-PSASIEDQSA-N	0	1	248.261	0.371	20	30		BCEDMN
CN(Cc1nnc[nH]1)C[C@@H](O)CC1(C#N)CCC1	ZINC000886034742	592137760	/nfs/dbraw/zinc/13/77/60/592137760.db2.gz	FIWPEALENAJIRP-JTQLQIEISA-N	0	1	249.318	0.681	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2ncc[nH]2)C1	ZINC000886213101	592178535	/nfs/dbraw/zinc/17/85/35/592178535.db2.gz	MCBLPXQLPFCISU-NSHDSACASA-N	0	1	218.304	0.597	20	30		BCEDMN
C[C@](O)(CN1CC[C@](O)(CC#N)C1)C(F)F	ZINC000886265401	592190338	/nfs/dbraw/zinc/19/03/38/592190338.db2.gz	HWIOLUQDBXBLDH-VHSXEESVSA-N	0	1	234.246	0.353	20	30		BCEDMN
C#CCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000220561803	592317707	/nfs/dbraw/zinc/31/77/07/592317707.db2.gz	AIDKNFGSFCQUFX-MRVPVSSYSA-N	0	1	203.245	0.264	20	30		BCEDMN
C#CCC1(NC(=O)Cc2n[nH]c(C)n2)CCC1	ZINC000886800173	592331221	/nfs/dbraw/zinc/33/12/21/592331221.db2.gz	JCBBAUOXEFQSBF-UHFFFAOYSA-N	0	1	232.287	0.718	20	30		BCEDMN
C#CCC1(NC(=O)CCc2nn[nH]n2)CCC1	ZINC000886800573	592332647	/nfs/dbraw/zinc/33/26/47/592332647.db2.gz	YFBADRWUJYYTPH-UHFFFAOYSA-N	0	1	233.275	0.195	20	30		BCEDMN
C#CCOCCN1CC[C@H](NC(=O)OC)C1	ZINC000886850928	592367062	/nfs/dbraw/zinc/36/70/62/592367062.db2.gz	XYUPGNKXKPUANV-JTQLQIEISA-N	0	1	226.276	0.067	20	30		BCEDMN
C=C(C)[C@H](CO)N1CC[C@H](NC(=O)OC)C1	ZINC000886856137	592370775	/nfs/dbraw/zinc/37/07/75/592370775.db2.gz	HYRYGKGFJKAXMZ-UWVGGRQHSA-N	0	1	228.292	0.354	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CC[C@@H](CF)C2)C1=O	ZINC000887302846	592479279	/nfs/dbraw/zinc/47/92/79/592479279.db2.gz	DISZABARFMDRLO-UWVGGRQHSA-N	0	1	238.262	0.039	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](OC)C[C@@H]1C	ZINC000300934322	592525195	/nfs/dbraw/zinc/52/51/95/592525195.db2.gz	RJOKVUREYIBADG-WDEREUQCSA-N	0	1	224.304	0.235	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CCO[C@](C)(C#N)C1	ZINC000887677513	592540398	/nfs/dbraw/zinc/54/03/98/592540398.db2.gz	YPFRKYMDENFRKO-CMPLNLGQSA-N	0	1	237.303	0.222	20	30		BCEDMN
C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)N(C)C	ZINC000887692031	592542937	/nfs/dbraw/zinc/54/29/37/592542937.db2.gz	CVWHDGCXUVAJDU-KOLCDFICSA-N	0	1	225.292	0.078	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c(C)n1	ZINC000889701438	592648950	/nfs/dbraw/zinc/64/89/50/592648950.db2.gz	SSBHCPNIIZFEKM-BDAKNGLRSA-N	0	1	236.275	0.320	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-]	ZINC000061173614	600132372	/nfs/dbraw/zinc/13/23/72/600132372.db2.gz	BIVUSTUIUAERDO-UHFFFAOYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)C[N@H+](C)C(C)(C)C(=O)[O-]	ZINC000061173614	600132374	/nfs/dbraw/zinc/13/23/74/600132374.db2.gz	BIVUSTUIUAERDO-UHFFFAOYSA-N	0	1	214.265	0.084	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000042706196	600372151	/nfs/dbraw/zinc/37/21/51/600372151.db2.gz	MJIWUJYASZJVBM-BDAKNGLRSA-N	0	1	228.292	0.330	20	30		BCEDMN
C=CCNC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1	ZINC000037596977	602336112	/nfs/dbraw/zinc/33/61/12/602336112.db2.gz	VKADABNRSDEQPH-UHFFFAOYSA-N	0	1	240.303	0.618	20	30		BCEDMN
C=CCNC(=O)C[N@H+](CC(=O)[O-])C1CCCC1	ZINC000037596977	602336115	/nfs/dbraw/zinc/33/61/15/602336115.db2.gz	VKADABNRSDEQPH-UHFFFAOYSA-N	0	1	240.303	0.618	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[O-]	ZINC000738494328	603255047	/nfs/dbraw/zinc/25/50/47/603255047.db2.gz	AKCASQQYRKOHRI-VIFPVBQESA-N	0	1	243.307	0.267	20	30		BCEDMN
C[C@H]1C[N@@H+](CCCC#N)CCN1C(=O)[O-]	ZINC000739181565	603361501	/nfs/dbraw/zinc/36/15/01/603361501.db2.gz	JYSFQPOQBCJBNU-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
CC#CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738502464	603347255	/nfs/dbraw/zinc/34/72/55/603347255.db2.gz	DQPRXHMNYOXFLT-VHSXEESVSA-N	0	1	210.277	0.988	20	30		BCEDMN
CC#CC[N@@H+](C)CCN1CCN(C(=O)[O-])CC1	ZINC000738502350	603347473	/nfs/dbraw/zinc/34/74/73/603347473.db2.gz	BHBSTIPYLWMIHO-UHFFFAOYSA-N	0	1	239.319	0.237	20	30		BCEDMN
C[C@H]1C[N@H+](CCCC#N)CCN1C(=O)[O-]	ZINC000739181565	603361498	/nfs/dbraw/zinc/36/14/98/603361498.db2.gz	JYSFQPOQBCJBNU-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000738496311	604371171	/nfs/dbraw/zinc/37/11/71/604371171.db2.gz	WAIFJGJJRDLHFD-DTWKUNHWSA-N	0	1	241.291	0.019	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1	ZINC000738496311	604371175	/nfs/dbraw/zinc/37/11/75/604371175.db2.gz	WAIFJGJJRDLHFD-DTWKUNHWSA-N	0	1	241.291	0.019	20	30		BCEDMN
C[C@H](CC#N)[N@H+](C)C[C@@](C)(O)C(=O)[O-]	ZINC000227070694	605497702	/nfs/dbraw/zinc/49/77/02/605497702.db2.gz	OOOPJYJLAATTQJ-VXNVDRBHSA-N	0	1	200.238	0.056	20	30		BCEDMN
C[C@H](CC#N)[N@@H+](C)C[C@@](C)(O)C(=O)[O-]	ZINC000227070694	605497705	/nfs/dbraw/zinc/49/77/05/605497705.db2.gz	OOOPJYJLAATTQJ-VXNVDRBHSA-N	0	1	200.238	0.056	20	30		BCEDMN
C#CCOCCN1Cc2c[nH]nc2[C@@H](C)C1	ZINC000931468247	634470104	/nfs/dbraw/zinc/47/01/04/634470104.db2.gz	WPODIQJNFYOJMD-JTQLQIEISA-N	0	1	219.288	0.979	20	30		BCEDMN
Cc1ccccc1C=NNC1=NCCN1	ZINC000841663324	635190716	/nfs/dbraw/zinc/19/07/16/635190716.db2.gz	YARJZKXXRWAIBW-UHFFFAOYSA-N	0	1	202.261	0.878	20	30		BCEDMN
C#CCCN1CCCN(C(=O)c2cnon2)CC1	ZINC000982283576	635527577	/nfs/dbraw/zinc/52/75/77/635527577.db2.gz	BRIZWQIVWLJWSD-UHFFFAOYSA-N	0	1	248.286	0.241	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1	ZINC000971518115	631288564	/nfs/dbraw/zinc/28/85/64/631288564.db2.gz	POBLXQWILVSULK-LLVKDONJSA-N	0	1	246.314	0.498	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C2(C)CC2)C1	ZINC000971581865	631329345	/nfs/dbraw/zinc/32/93/45/631329345.db2.gz	GTIIVFNGYILTKD-NSHDSACASA-N	0	1	220.316	0.952	20	30		BCEDMN
COC(=O)[C@](C)(O)CN(CCC#N)CC(C)C	ZINC000080211102	631378205	/nfs/dbraw/zinc/37/82/05/631378205.db2.gz	WOCVBJRSQXHNLJ-GFCCVEGCSA-N	0	1	242.319	0.782	20	30		BCEDMN
C[C@]1(C#N)CN(Cc2cnc[nH]2)CCO1	ZINC000933603054	631453875	/nfs/dbraw/zinc/45/38/75/631453875.db2.gz	AWTKOKMROYIRHO-JTQLQIEISA-N	0	1	206.249	0.524	20	30		BCEDMN
Cc1cn[nH]c1CN1CCO[C@](C)(C#N)C1	ZINC000933609631	631458285	/nfs/dbraw/zinc/45/82/85/631458285.db2.gz	DVHYNCYXCURJDH-LLVKDONJSA-N	0	1	220.276	0.833	20	30		BCEDMN
Cc1cn[nH]c1CN1CCO[C@@](C)(C#N)C1	ZINC000933609632	631458964	/nfs/dbraw/zinc/45/89/64/631458964.db2.gz	DVHYNCYXCURJDH-NSHDSACASA-N	0	1	220.276	0.833	20	30		BCEDMN
C[C@H](O)[C@@H](O)CN(C)Cc1cc(C#N)cs1	ZINC000933770043	631506818	/nfs/dbraw/zinc/50/68/18/631506818.db2.gz	FZFSIBUEIIGXSG-KWQFWETISA-N	0	1	240.328	0.793	20	30		BCEDMN
CC(=NNC1=NC[C@@H](C)N1)c1cn(C)nc1C	ZINC000779804238	631547851	/nfs/dbraw/zinc/54/78/51/631547851.db2.gz	CDINDJUZCVCPDD-SSDOTTSWSA-N	0	1	234.307	0.390	20	30		BCEDMN
C#C[C@H](N[C@H](CO)C(=C)C)[C@@H]1CCCO1	ZINC000308816133	631666384	/nfs/dbraw/zinc/66/63/84/631666384.db2.gz	AQHLXYBXRGAEFY-TUAOUCFPSA-N	0	1	209.289	0.694	20	30		BCEDMN
CS/C=C\C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000308851893	631693877	/nfs/dbraw/zinc/69/38/77/631693877.db2.gz	CIHQQVBHASLNHH-HZHJCBGQSA-N	0	1	211.290	0.091	20	30		BCEDMN
N#CCC[C@@H](C#N)CN[C@H](CO)C1CC1	ZINC000308916950	631721543	/nfs/dbraw/zinc/72/15/43/631721543.db2.gz	HTQBTAGETHLPCB-GXSJLCMTSA-N	0	1	207.277	0.790	20	30		BCEDMN
CCCN(CCO[C@H](C)C#N)CC(N)=O	ZINC000308959939	631756080	/nfs/dbraw/zinc/75/60/80/631756080.db2.gz	FUFADURMDUYESB-SECBINFHSA-N	0	1	213.281	0.112	20	30		BCEDMN
C#C[C@H](N[C@H](CC)C(N)=O)[C@@H]1CCCO1	ZINC000309067855	631831204	/nfs/dbraw/zinc/83/12/04/631831204.db2.gz	AJWKBGQLCJACFN-AEJSXWLSSA-N	0	1	210.277	0.021	20	30		BCEDMN
C=CC[C@H]1CCN1[C@H](C)C(=O)NC(N)=O	ZINC000934473503	631867711	/nfs/dbraw/zinc/86/77/11/631867711.db2.gz	WTVWVRXQEJKZNE-SFYZADRCSA-N	0	1	211.265	0.220	20	30		BCEDMN
C=CC[C@@H]1CCN1CCN1CCCS1(=O)=O	ZINC000934461727	631859411	/nfs/dbraw/zinc/85/94/11/631859411.db2.gz	TYOLJGODEQQXDS-LLVKDONJSA-N	0	1	244.360	0.672	20	30		BCEDMN
CCC(CC)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000309499258	632417338	/nfs/dbraw/zinc/41/73/38/632417338.db2.gz	LAVBWPCDLWFFBR-UWVGGRQHSA-N	0	1	209.293	0.650	20	30		BCEDMN
C=C(Br)CNC[C@H](O)COCC	ZINC000168260741	632456260	/nfs/dbraw/zinc/45/62/60/632456260.db2.gz	JNVWIYZAPOXGGA-QMMMGPOBSA-N	0	1	238.125	0.882	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2nccs2)C1	ZINC000972600504	632513996	/nfs/dbraw/zinc/51/39/96/632513996.db2.gz	BWRHPRCCRAQJSJ-SNVBAGLBSA-N	0	1	249.339	0.923	20	30		BCEDMN
N#Cc1ccc(O)c(NC(=O)[C@H]2COCCO2)c1	ZINC000176834995	632549941	/nfs/dbraw/zinc/54/99/41/632549941.db2.gz	ABWSPNMOORZCBA-LLVKDONJSA-N	0	1	248.238	0.618	20	30		BCEDMN
C#C[C@@H](CC)N[C@H]1CCCS(=O)(=O)C1	ZINC000229532086	632572784	/nfs/dbraw/zinc/57/27/84/632572784.db2.gz	JEDBBFIKVOEYBP-UWVGGRQHSA-N	0	1	215.318	0.565	20	30		BCEDMN
CCCN(CCO[C@@H](C)C#N)CC(N)=O	ZINC000308959941	632584532	/nfs/dbraw/zinc/58/45/32/632584532.db2.gz	FUFADURMDUYESB-VIFPVBQESA-N	0	1	213.281	0.112	20	30		BCEDMN
CC#CCN1C[C@H](NC(C)=O)C(C)(C)C1	ZINC000972720809	632647301	/nfs/dbraw/zinc/64/73/01/632647301.db2.gz	HVHDUIBUEWBPFT-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
C=CCn1cc(CN[C@@H]2COC[C@@H]2C)nn1	ZINC000926613353	632679946	/nfs/dbraw/zinc/67/99/46/632679946.db2.gz	DYPNHDKMCCVXTG-GXSJLCMTSA-N	0	1	222.292	0.589	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CCF	ZINC000892499587	632804615	/nfs/dbraw/zinc/80/46/15/632804615.db2.gz	YUJHMVOKLWVYAD-SSDOTTSWSA-N	0	1	200.213	0.579	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)C[C@H](C)O)CC1	ZINC000177437303	632823014	/nfs/dbraw/zinc/82/30/14/632823014.db2.gz	LWWLILHGZNNFFC-NSHDSACASA-N	0	1	238.331	0.171	20	30		BCEDMN
N#C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000928217834	635834089	/nfs/dbraw/zinc/83/40/89/635834089.db2.gz	UMKCCUVUSIRVND-DJLDLDEBSA-N	0	1	223.232	0.414	20	30		BCEDMN
N#C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1	ZINC000928231795	635838328	/nfs/dbraw/zinc/83/83/28/635838328.db2.gz	NFYKJFXEPZJHEV-SECBINFHSA-N	0	1	218.260	0.714	20	30		BCEDMN
CC(C)SCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000309507679	633181947	/nfs/dbraw/zinc/18/19/47/633181947.db2.gz	NWQFYVSNGPLBSN-IUCAKERBSA-N	0	1	227.333	0.356	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)CCCCC#N	ZINC000928552152	636084832	/nfs/dbraw/zinc/08/48/32/636084832.db2.gz	HXBOGSOYIITFNK-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C	ZINC001025660022	633738098	/nfs/dbraw/zinc/73/80/98/633738098.db2.gz	SCLLJELXEVEJMW-LVEVGFFFSA-N	0	1	218.300	0.322	20	30		BCEDMN
C[C@H](C#N)OCCN(C)Cc1cnc[nH]1	ZINC000852287116	633738544	/nfs/dbraw/zinc/73/85/44/633738544.db2.gz	ABIZNOLBFRQSPA-SECBINFHSA-N	0	1	208.265	0.770	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCC[C@@H]21	ZINC001025728447	633752623	/nfs/dbraw/zinc/75/26/23/633752623.db2.gz	YPLWDILDBSEFQT-ARDSDWSFSA-N	0	1	244.338	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C[C@@H]1C	ZINC001026008492	633830019	/nfs/dbraw/zinc/83/00/19/633830019.db2.gz	PHJNJCCMPDMEAW-SVPLCASGSA-N	0	1	232.327	0.712	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C[C@H]1C	ZINC001026008487	633830630	/nfs/dbraw/zinc/83/06/30/633830630.db2.gz	PHJNJCCMPDMEAW-SSKLVLDBSA-N	0	1	232.327	0.712	20	30		BCEDMN
CCCCCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000309845518	633834474	/nfs/dbraw/zinc/83/44/74/633834474.db2.gz	SUHPDSQJUFDPBB-UWVGGRQHSA-N	0	1	209.293	0.794	20	30		BCEDMN
CC#CCN(C)C[C@@H]1C[C@@H]2COC[C@H]2O1	ZINC000930589780	633914655	/nfs/dbraw/zinc/91/46/55/633914655.db2.gz	NWGBRJMNCLRFQU-GRYCIOLGSA-N	0	1	209.289	0.745	20	30		BCEDMN
C#C[C@@H]1CCCN(C[C@H]2CCCS2(=O)=O)C1	ZINC000930884595	634152836	/nfs/dbraw/zinc/15/28/36/634152836.db2.gz	GEBFUMQPFVUSDX-VXGBXAGGSA-N	0	1	241.356	0.909	20	30		BCEDMN
C=CCOCCN1CCc2c(n(C)[nH]c2=O)C1	ZINC000931193621	634265136	/nfs/dbraw/zinc/26/51/36/634265136.db2.gz	GWBQLVQKADNBBC-UHFFFAOYSA-N	0	1	237.303	0.686	20	30		BCEDMN
C#CCNCC(=O)NCCCOCC1CC1	ZINC000082413885	634310693	/nfs/dbraw/zinc/31/06/93/634310693.db2.gz	LULLMADPTVBTQV-UHFFFAOYSA-N	0	1	224.304	0.142	20	30		BCEDMN
C=CC[C@H](CO)CN[C@@H](C)c1cnn(C)n1	ZINC000925698698	634364582	/nfs/dbraw/zinc/36/45/82/634364582.db2.gz	TXFMTFFIGTXZCG-UWVGGRQHSA-N	0	1	224.308	0.650	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1ccc[nH]1	ZINC001027753653	635134583	/nfs/dbraw/zinc/13/45/83/635134583.db2.gz	RADXQXYTMDYONE-NSHDSACASA-N	0	1	231.299	0.842	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cn[nH]c1	ZINC001027770609	635142043	/nfs/dbraw/zinc/14/20/43/635142043.db2.gz	XLQJEXDQESKOQX-LLVKDONJSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)C1=CCOCC1	ZINC001027841912	635172585	/nfs/dbraw/zinc/17/25/85/635172585.db2.gz	PKHZLGIBJDXIBH-CYBMUJFWSA-N	0	1	248.326	0.547	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cn(C)nn1	ZINC001027861432	635179563	/nfs/dbraw/zinc/17/95/63/635179563.db2.gz	XICRBPUEPGNKAQ-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ncn(C)n1	ZINC001027866058	635183251	/nfs/dbraw/zinc/18/32/51/635183251.db2.gz	VDBHQBDGITWFLZ-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F	ZINC001027875769	635186163	/nfs/dbraw/zinc/18/61/63/635186163.db2.gz	XRNIZOXBQWQKBH-UWVGGRQHSA-N	0	1	242.269	0.855	20	30		BCEDMN
N#CCN1CCCN(C(=O)Cc2ccn[nH]2)CC1	ZINC000980885728	635296193	/nfs/dbraw/zinc/29/61/93/635296193.db2.gz	ZYJOILMBFOUGOR-UHFFFAOYSA-N	0	1	247.302	0.010	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C#N)C1	ZINC000260114938	635304341	/nfs/dbraw/zinc/30/43/41/635304341.db2.gz	RELMONZZIOFXGU-WDEREUQCSA-N	0	1	221.304	0.843	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1ccnnc1	ZINC001028160783	635437903	/nfs/dbraw/zinc/43/79/03/635437903.db2.gz	BUKJNCFVZKQGJM-GFCCVEGCSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=C(Cl)CNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000896453432	636194163	/nfs/dbraw/zinc/19/41/63/636194163.db2.gz	UFRHNUODMBVVEO-JTQLQIEISA-N	0	1	244.722	0.576	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NC1CCN(CC#C)CC1	ZINC000928650329	636260024	/nfs/dbraw/zinc/26/00/24/636260024.db2.gz	AFJFHLYTWDFBDO-GFCCVEGCSA-N	0	1	248.326	0.239	20	30		BCEDMN
C=C(Cl)CN[C@@H]1CCN(C(=O)COC)[C@@H]1C	ZINC000985833450	636424906	/nfs/dbraw/zinc/42/49/06/636424906.db2.gz	RFZJNAAFWXGOGB-NXEZZACHSA-N	0	1	246.738	0.964	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN1C	ZINC000863786527	636722103	/nfs/dbraw/zinc/72/21/03/636722103.db2.gz	CBOPKIJCXMAKEJ-VXGBXAGGSA-N	0	1	238.331	0.625	20	30		BCEDMN
CC#CCN(C)C(=O)C1CN([C@@H]2CCOC2)C1	ZINC000897862092	636840434	/nfs/dbraw/zinc/84/04/34/636840434.db2.gz	YHKIDPBRACGPTO-GFCCVEGCSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCNCC(=O)NCc1ccccc1C	ZINC000082239393	636868691	/nfs/dbraw/zinc/86/86/91/636868691.db2.gz	BQPYSALXEXMCHT-UHFFFAOYSA-N	0	1	216.284	0.834	20	30		BCEDMN
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C#C[C@H](CCC)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	ZINC000907713836	638443703	/nfs/dbraw/zinc/44/37/03/638443703.db2.gz	NFSJSGBHJHYDFO-NQBHXWOUSA-N	0	1	238.331	0.360	20	30		BCEDMN
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CCO[C@@H]1COC[C@H]1NCc1cncc(C#N)c1	ZINC000930661273	639849704	/nfs/dbraw/zinc/84/97/04/639849704.db2.gz	XHYNPLAISNNLRR-CHWSQXEVSA-N	0	1	247.298	0.847	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H](O)C[C@@]1(O)CCOC1	ZINC000930693417	639865203	/nfs/dbraw/zinc/86/52/03/639865203.db2.gz	NHNXSYPROXAKSV-UTUOFQBUSA-N	0	1	242.319	0.171	20	30		BCEDMN
CN(C)C(=O)[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1	ZINC000930715554	639875981	/nfs/dbraw/zinc/87/59/81/639875981.db2.gz	JAGVCGDEZITYLJ-VXGBXAGGSA-N	0	1	248.330	0.840	20	30		BCEDMN
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C#CCSCCNCc1ncnn1CC	ZINC000231946532	641219563	/nfs/dbraw/zinc/21/95/63/641219563.db2.gz	WNALOQQDIJPEDP-UHFFFAOYSA-N	0	1	224.333	0.754	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H](O)CC(F)(F)F	ZINC000307976737	711501784	/nfs/dbraw/zinc/50/17/84/711501784.db2.gz	IPGKHQOXGBPWFP-ZETCQYMHSA-N	0	1	241.209	0.872	20	30		BCEDMN
C#Cc1ccc(C(=O)NC23CCN(CC2)C3)nc1	ZINC000913628970	641432931	/nfs/dbraw/zinc/43/29/31/641432931.db2.gz	UFDJQESYYGGNKK-UHFFFAOYSA-N	0	1	241.294	0.641	20	30		BCEDMN
N#Cc1ccnc(C(=O)NC23CCN(CC2)C3)c1	ZINC000913633809	641433802	/nfs/dbraw/zinc/43/38/02/641433802.db2.gz	PEGCRURTUOGZTP-UHFFFAOYSA-N	0	1	242.282	0.531	20	30		BCEDMN
Cc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834510905	641726748	/nfs/dbraw/zinc/72/67/48/641726748.db2.gz	GYAXCGRNGZLXPW-RYUDHWBXSA-N	0	1	229.283	0.836	20	30		BCEDMN
c1cnc(N=NC2CN3CCC2CC3)cn1	ZINC000915050751	641793924	/nfs/dbraw/zinc/79/39/24/641793924.db2.gz	IXHYEBXAHBKIIJ-UHFFFAOYSA-N	0	1	217.276	0.970	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)C1CCCC1	ZINC000193411691	641809479	/nfs/dbraw/zinc/80/94/79/641809479.db2.gz	AAXMIYFRBPJSSF-SNVBAGLBSA-N	0	1	238.287	0.648	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn[n-]2)[C@H]1C	ZINC000993539539	641876119	/nfs/dbraw/zinc/87/61/19/641876119.db2.gz	HKEXEGYYAIUYMM-NXEZZACHSA-N	0	1	247.302	0.021	20	30		BCEDMN
C=C(C)CN1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C	ZINC000993728281	641879551	/nfs/dbraw/zinc/87/95/51/641879551.db2.gz	HYCQPHKIRIOORK-VHSXEESVSA-N	0	1	239.319	0.017	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncn[n-]2)[C@H]1C	ZINC000994019841	641880919	/nfs/dbraw/zinc/88/09/19/641880919.db2.gz	JDMLXCJTZDQZLI-ZJUUUORDSA-N	0	1	247.302	0.021	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)NCCCCC#N	ZINC000916743393	641973971	/nfs/dbraw/zinc/97/39/71/641973971.db2.gz	MFYGKQSQDNEGPO-SNVBAGLBSA-N	0	1	224.308	0.684	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C)C1	ZINC000925431736	641984367	/nfs/dbraw/zinc/98/43/67/641984367.db2.gz	YHZNYEOPCJJGML-NEPJUHHUSA-N	0	1	235.331	0.745	20	30		BCEDMN
C=CC[N@@H+](CC(=O)NC(=O)NC1CC1)C(C)C	ZINC000917071179	642004552	/nfs/dbraw/zinc/00/45/52/642004552.db2.gz	PPPFQFNMCDEOSY-UHFFFAOYSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCN(CC(=O)NC(=O)NC1CC1)C(C)C	ZINC000917071179	642004556	/nfs/dbraw/zinc/00/45/56/642004556.db2.gz	PPPFQFNMCDEOSY-UHFFFAOYSA-N	0	1	239.319	0.871	20	30		BCEDMN
C#CCOCCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000154399686	642065261	/nfs/dbraw/zinc/06/52/61/642065261.db2.gz	HPQWFGANESKVSQ-QMMMGPOBSA-N	0	1	222.248	0.022	20	30		BCEDMN
Cn1nccc1C=NNc1ncnc2nc[nH]c21	ZINC000917555168	642087143	/nfs/dbraw/zinc/08/71/43/642087143.db2.gz	HERFVTKFBXRXGS-UHFFFAOYSA-N	0	1	242.246	0.532	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cc(C)no2)C1	ZINC001031542860	642288424	/nfs/dbraw/zinc/28/84/24/642288424.db2.gz	PVAVJOPTPQGJPG-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2cc(C)n(C)n2)C1	ZINC001031569017	642321269	/nfs/dbraw/zinc/32/12/69/642321269.db2.gz	TXYONOKRDMMPCZ-UHFFFAOYSA-N	0	1	248.330	0.576	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)Cc2ccon2)C1	ZINC000971241905	642328483	/nfs/dbraw/zinc/32/84/83/642328483.db2.gz	LETMJXHMARNXIZ-LBPRGKRZSA-N	0	1	247.298	0.383	20	30		BCEDMN
Cc1n[nH]c(C(=O)NCC2CN(CC#N)C2)c1C	ZINC001031588569	642342197	/nfs/dbraw/zinc/34/21/97/642342197.db2.gz	LEIDQRGDADVVMI-UHFFFAOYSA-N	0	1	247.302	0.212	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2ocnc2C)C1	ZINC001031598813	642359436	/nfs/dbraw/zinc/35/94/36/642359436.db2.gz	QCQUAGVZPMZVDM-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CCCCO2)C1	ZINC001031610266	642376296	/nfs/dbraw/zinc/37/62/96/642376296.db2.gz	DFTRMZTVCXKDMQ-LBPRGKRZSA-N	0	1	238.331	0.790	20	30		BCEDMN
CC[C@@H]1C(=O)NCCCN1CCOCCC#N	ZINC000933216917	642393759	/nfs/dbraw/zinc/39/37/59/642393759.db2.gz	PFMBLDPUGYXYLW-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
C#CCSCCNC(=O)NC[C@@H]1CCN1C	ZINC000919875407	642400311	/nfs/dbraw/zinc/40/03/11/642400311.db2.gz	TWOLOOQHESJMMY-JTQLQIEISA-N	0	1	241.360	0.356	20	30		BCEDMN
C#CCOCCC(=O)N1[C@H](C)CN(C)C[C@H]1C	ZINC000155147096	642415230	/nfs/dbraw/zinc/41/52/30/642415230.db2.gz	RRDHWKMYFLZTCR-VXGBXAGGSA-N	0	1	238.331	0.577	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)CC(C)(C)O)C1	ZINC000971436361	642460705	/nfs/dbraw/zinc/46/07/05/642460705.db2.gz	PTHGHRNUKGOGJN-NSHDSACASA-N	0	1	238.331	0.313	20	30		BCEDMN
C=CCN1CC(CNC(=O)[C@@H]2CC2(F)F)C1	ZINC001031656096	642474348	/nfs/dbraw/zinc/47/43/48/642474348.db2.gz	STXLFZSXBQTNAT-VIFPVBQESA-N	0	1	230.258	0.876	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2ncc[nH]2)C1	ZINC001031656728	642485533	/nfs/dbraw/zinc/48/55/33/642485533.db2.gz	HYSTUBFXDMIRMG-UHFFFAOYSA-N	0	1	234.303	0.647	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2n[nH]cc2C)C1	ZINC001031659769	642496958	/nfs/dbraw/zinc/49/69/58/642496958.db2.gz	PDBLHOROZSVHJB-UHFFFAOYSA-N	0	1	246.314	0.403	20	30		BCEDMN
C=CCCOCC(=O)C(C#N)C(=O)NC1CC1	ZINC000920791691	642550121	/nfs/dbraw/zinc/55/01/21/642550121.db2.gz	CNOHCMCQRKPXPC-JTQLQIEISA-N	0	1	236.271	0.567	20	30		BCEDMN
C=C(C)COCCNC(=O)NC[C@H]1CCN1C	ZINC000921480688	642635135	/nfs/dbraw/zinc/63/51/35/642635135.db2.gz	QCLADBUXXJPFAG-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1	ZINC000960148409	642659156	/nfs/dbraw/zinc/65/91/56/642659156.db2.gz	LHAQENPBCOMOKT-JZYVYDRUSA-N	0	1	247.323	0.436	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C	ZINC000963128104	642740726	/nfs/dbraw/zinc/74/07/26/642740726.db2.gz	VBETXPJMZQXECE-IAZYJMLFSA-N	0	1	244.298	0.011	20	30		BCEDMN
C#CCN1CC[C@H](C)[C@H](NC(=O)CC)C1	ZINC000964533638	642754829	/nfs/dbraw/zinc/75/48/29/642754829.db2.gz	XOJRMRVWXIKNMD-WDEREUQCSA-N	0	1	208.305	0.856	20	30		BCEDMN
C=CCN(CCCO)CC(OC)OC	ZINC000180638543	642803544	/nfs/dbraw/zinc/80/35/44/642803544.db2.gz	YTWISMNUJVJMAA-UHFFFAOYSA-N	0	1	203.282	0.476	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2cn[nH]c2)C1	ZINC001006801984	642824744	/nfs/dbraw/zinc/82/47/44/642824744.db2.gz	ZECCCUABPVFZJT-NSHDSACASA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cn2cccn2)C1	ZINC001006745924	642825357	/nfs/dbraw/zinc/82/53/57/642825357.db2.gz	PBHYTRMCDXRWLN-LBPRGKRZSA-N	0	1	248.330	0.650	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2cncn2C)C1	ZINC001007803197	642830239	/nfs/dbraw/zinc/83/02/39/642830239.db2.gz	DDWVHKMUWIPKEZ-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001009508079	642836660	/nfs/dbraw/zinc/83/66/60/642836660.db2.gz	JZONLOJCYJBVNG-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1	ZINC001008983091	642836683	/nfs/dbraw/zinc/83/66/83/642836683.db2.gz	UVJADLUGNXXQRO-NSHDSACASA-N	0	1	248.330	0.719	20	30		BCEDMN
C=CCN1CCC[C@H](NC(=O)c2ccn(C)n2)C1	ZINC001009508101	642836781	/nfs/dbraw/zinc/83/67/81/642836781.db2.gz	JZONLOJCYJBVNG-NSHDSACASA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cnc(C)cn2)C1	ZINC001009995788	642848422	/nfs/dbraw/zinc/84/84/22/642848422.db2.gz	UJTSZLRQQYOQNK-NSHDSACASA-N	0	1	246.314	0.775	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cn2cccn2)C1	ZINC001010190824	642854562	/nfs/dbraw/zinc/85/45/62/642854562.db2.gz	ZCNHNZCARPCSRR-NSHDSACASA-N	0	1	234.303	0.260	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cn2cccn2)C1	ZINC001010190819	642855125	/nfs/dbraw/zinc/85/51/25/642855125.db2.gz	ZCNHNZCARPCSRR-LLVKDONJSA-N	0	1	234.303	0.260	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2C)C1	ZINC001010192897	642855609	/nfs/dbraw/zinc/85/56/09/642855609.db2.gz	FKJTWWPHVVZOEH-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
C=C(C)CN1CC[C@H](NC(=O)c2ccn[nH]2)C1	ZINC001010266863	642857540	/nfs/dbraw/zinc/85/75/40/642857540.db2.gz	HJOIIKRBURVICQ-JTQLQIEISA-N	0	1	234.303	0.790	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)C(C)C)C1	ZINC001010254843	642858419	/nfs/dbraw/zinc/85/84/19/642858419.db2.gz	CFNJPYGHDVEFDF-NSHDSACASA-N	0	1	208.305	0.856	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccnn2C)C1	ZINC001010364486	642859483	/nfs/dbraw/zinc/85/94/83/642859483.db2.gz	LIVIKIQDFACSBZ-JTQLQIEISA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2c[nH]nc2CC)C1	ZINC001031805478	642860284	/nfs/dbraw/zinc/86/02/84/642860284.db2.gz	CIDNDTKVDRZOIS-UHFFFAOYSA-N	0	1	248.330	0.820	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1	ZINC001010349407	642860746	/nfs/dbraw/zinc/86/07/46/642860746.db2.gz	KKYMMKHINDCACT-VXGBXAGGSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2nccnc2N)C1	ZINC001010390135	642861848	/nfs/dbraw/zinc/86/18/48/642861848.db2.gz	SBBRHFDKLZOGTD-VIFPVBQESA-N	0	1	247.302	0.049	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)C2)c1C	ZINC001010397294	642861962	/nfs/dbraw/zinc/86/19/62/642861962.db2.gz	NQUQUZPHQXABTQ-JTQLQIEISA-N	0	1	247.302	0.354	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2cocn2)C1	ZINC001010373656	642863060	/nfs/dbraw/zinc/86/30/60/642863060.db2.gz	OCZJSPQAYYHZIH-JTQLQIEISA-N	0	1	233.271	0.502	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)Cc2cncnc2)C1	ZINC001010801762	642871243	/nfs/dbraw/zinc/87/12/43/642871243.db2.gz	SMSBNRUYYHDBJB-LBPRGKRZSA-N	0	1	246.314	0.396	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)Cc2cncnc2)C1	ZINC001010801761	642872027	/nfs/dbraw/zinc/87/20/27/642872027.db2.gz	SMSBNRUYYHDBJB-GFCCVEGCSA-N	0	1	246.314	0.396	20	30		BCEDMN
CC#CCN1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1	ZINC001014384906	642889246	/nfs/dbraw/zinc/88/92/46/642889246.db2.gz	QYIHGUXPXANQQR-NXEZZACHSA-N	0	1	242.269	0.855	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2)C1	ZINC001014529195	642891871	/nfs/dbraw/zinc/89/18/71/642891871.db2.gz	GIAKZSIYQQFGAB-LBPRGKRZSA-N	0	1	231.299	0.842	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C)C1	ZINC001015458945	642900301	/nfs/dbraw/zinc/90/03/01/642900301.db2.gz	LVCBUBTUVIALNR-JTQLQIEISA-N	0	1	234.303	0.708	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2[nH]nnc2C)C1	ZINC001015480180	642900449	/nfs/dbraw/zinc/90/04/49/642900449.db2.gz	SJBKMGBWBXHYNF-VIFPVBQESA-N	0	1	235.291	0.103	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccncn2)C1	ZINC001015874148	642934371	/nfs/dbraw/zinc/93/43/71/642934371.db2.gz	SCLKMCBXPKBIAI-SNVBAGLBSA-N	0	1	232.287	0.467	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2cccnn2)C1	ZINC001015886442	642936391	/nfs/dbraw/zinc/93/63/91/642936391.db2.gz	IYLMLTKQKWJLDC-JTQLQIEISA-N	0	1	232.287	0.467	20	30		BCEDMN
C=CCN1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1	ZINC001016158508	642946498	/nfs/dbraw/zinc/94/64/98/642946498.db2.gz	CUHSHPJXWZXGKE-NSHDSACASA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001016250625	642954105	/nfs/dbraw/zinc/95/41/05/642954105.db2.gz	PNNMPECLKWNLDX-SNVBAGLBSA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccn(C)n2)C1	ZINC001016250625	642954120	/nfs/dbraw/zinc/95/41/20/642954120.db2.gz	PNNMPECLKWNLDX-SNVBAGLBSA-N	0	1	234.303	0.410	20	30		BCEDMN
C=CC1CCN(CN2CC(=O)N(C)C2=O)CC1	ZINC000182279258	642990337	/nfs/dbraw/zinc/99/03/37/642990337.db2.gz	LFDGQBMRRJVFNY-UHFFFAOYSA-N	0	1	237.303	0.736	20	30		BCEDMN
C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001020096782	643058459	/nfs/dbraw/zinc/05/84/59/643058459.db2.gz	IILKMNVUMKPKFD-MGCOHNPYSA-N	0	1	245.282	0.271	20	30		BCEDMN
C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001020096731	643059119	/nfs/dbraw/zinc/05/91/19/643059119.db2.gz	GCUQQTXFRYGBBS-MGCOHNPYSA-N	0	1	247.298	0.824	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1	ZINC000969342150	643147828	/nfs/dbraw/zinc/14/78/28/643147828.db2.gz	ABOQQEQTJFYENR-SECBINFHSA-N	0	1	234.303	0.646	20	30		BCEDMN
C#CCN1CC[C@@H](NC(=O)c2ccon2)[C@@H](C)C1	ZINC000941851293	643148298	/nfs/dbraw/zinc/14/82/98/643148298.db2.gz	SXPMLGKPDHFDCF-WDEREUQCSA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cncnc2)C1	ZINC000969539172	643188353	/nfs/dbraw/zinc/18/83/53/643188353.db2.gz	NEOBYEJXQQKHBA-JTQLQIEISA-N	0	1	246.314	0.713	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)c1[nH]nnc1C	ZINC000890653964	643229496	/nfs/dbraw/zinc/22/94/96/643229496.db2.gz	WGVDYGXTGYHZBW-VIFPVBQESA-N	0	1	218.260	0.741	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nonc2C)C1	ZINC001032224161	643353466	/nfs/dbraw/zinc/35/34/66/643353466.db2.gz	VWRJGWDLCISSLO-UHFFFAOYSA-N	0	1	236.275	0.226	20	30		BCEDMN
N#CCCNC(=O)CN1CCCC[C@H]1CCO	ZINC000049801508	643444361	/nfs/dbraw/zinc/44/43/61/643444361.db2.gz	IDASWGABGLOXEU-NSHDSACASA-N	0	1	239.319	0.253	20	30		BCEDMN
C#CCNC(=O)CN1CCC(COC)CC1	ZINC000083442742	643452580	/nfs/dbraw/zinc/45/25/80/643452580.db2.gz	QRQQBBHEUQQUQA-UHFFFAOYSA-N	0	1	224.304	0.094	20	30		BCEDMN
C=CCN1CC([C@H](C)NC(=O)c2cnon2)C1	ZINC000970620914	643486530	/nfs/dbraw/zinc/48/65/30/643486530.db2.gz	YLBMSJKNNHVYGG-QMMMGPOBSA-N	0	1	236.275	0.306	20	30		BCEDMN
CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N	ZINC001032312078	643489827	/nfs/dbraw/zinc/48/98/27/643489827.db2.gz	CMRQUPHFRBTZIF-VWYCJHECSA-N	0	1	221.304	0.841	20	30		BCEDMN
C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)F)C1	ZINC000970924428	643620039	/nfs/dbraw/zinc/62/00/39/643620039.db2.gz	PGCSOWMAVGKAAK-MRVPVSSYSA-N	0	1	218.247	0.970	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H](O)COC(C)C	ZINC000086138659	643628594	/nfs/dbraw/zinc/62/85/94/643628594.db2.gz	SIROLAAUGCCRCP-SNVBAGLBSA-N	0	1	231.292	0.345	20	30		BCEDMN
C#CCN(C)[C@@H]1CCN(C(=O)c2ccncc2)C1	ZINC000970961005	643637106	/nfs/dbraw/zinc/63/71/06/643637106.db2.gz	XONBVIZKZWIMJC-CYBMUJFWSA-N	0	1	243.310	0.861	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)no2)C1	ZINC000971062018	643692508	/nfs/dbraw/zinc/69/25/08/643692508.db2.gz	VBVFHGVYFKDHDJ-NSHDSACASA-N	0	1	247.298	0.763	20	30		BCEDMN
Cc1ncc(C(=O)N2CCC[C@@H](NCC#N)C2)[nH]1	ZINC000998746764	643720305	/nfs/dbraw/zinc/72/03/05/643720305.db2.gz	SLGUQKLVJVMHHH-SNVBAGLBSA-N	0	1	247.302	0.436	20	30		BCEDMN
N#CCN[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1	ZINC000998796165	643722653	/nfs/dbraw/zinc/72/26/53/643722653.db2.gz	YUKADCHDXOHKBF-LLVKDONJSA-N	0	1	247.302	0.056	20	30		BCEDMN
C#CC[N@@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1	ZINC001000470592	643785531	/nfs/dbraw/zinc/78/55/31/643785531.db2.gz	MRNNUOMKHRPHDF-UHFFFAOYSA-N	0	1	244.298	0.405	20	30		BCEDMN
C#CCN1CC=C(CNC(=O)c2cn[nH]c2)CC1	ZINC001000470592	643785538	/nfs/dbraw/zinc/78/55/38/643785538.db2.gz	MRNNUOMKHRPHDF-UHFFFAOYSA-N	0	1	244.298	0.405	20	30		BCEDMN
C#CCN1CCC(NC(=O)NC[C@@H](C)C#N)CC1	ZINC000921880406	643815238	/nfs/dbraw/zinc/81/52/38/643815238.db2.gz	JQPQVHPXVYGEHY-NSHDSACASA-N	0	1	248.330	0.543	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NC[C@@H]1CCN1C	ZINC000921881720	643816407	/nfs/dbraw/zinc/81/64/07/643816407.db2.gz	UTIUHDGLSZDQJY-IUCAKERBSA-N	0	1	210.281	0.149	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cc2cc[nH]n2)CC1	ZINC001002505503	643829367	/nfs/dbraw/zinc/82/93/67/643829367.db2.gz	QUMDJPLGWYWSPK-UHFFFAOYSA-N	0	1	246.314	0.166	20	30		BCEDMN
C=CCNC(=O)CNCc1c2c(nn1C)CCC2	ZINC000921972743	643835685	/nfs/dbraw/zinc/83/56/85/643835685.db2.gz	HZZNJQHQQKWZRX-UHFFFAOYSA-N	0	1	248.330	0.301	20	30		BCEDMN
N#Cc1cc(CNC[C@H](O)CO)cs1	ZINC000922075368	643858902	/nfs/dbraw/zinc/85/89/02/643858902.db2.gz	BEAOWXKPKHBGRY-QMMMGPOBSA-N	0	1	212.274	0.063	20	30		BCEDMN
CN(C)c1ccnc(CNC(=O)NCCC#N)c1	ZINC000922228765	643910068	/nfs/dbraw/zinc/91/00/68/643910068.db2.gz	MZHFQYUFLKPYEE-UHFFFAOYSA-N	0	1	247.302	0.860	20	30		BCEDMN
Cc1nnc(SCCC(=O)NCCC#N)[nH]1	ZINC000427625612	643919519	/nfs/dbraw/zinc/91/95/19/643919519.db2.gz	ZJPYJSQPIJXERK-UHFFFAOYSA-N	0	1	239.304	0.625	20	30		BCEDMN
C#CCNCC(=O)NCc1cccc(F)c1	ZINC000086156707	643933139	/nfs/dbraw/zinc/93/31/39/643933139.db2.gz	NDYVBMUOJWKPIN-UHFFFAOYSA-N	0	1	220.247	0.665	20	30		BCEDMN
C#CCNCC(=O)NCc1ccc(C)s1	ZINC000086157205	643935327	/nfs/dbraw/zinc/93/53/27/643935327.db2.gz	GZZNYVXVVCCILC-UHFFFAOYSA-N	0	1	222.313	0.896	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC=C[C@H]2CO)CC1	ZINC000922268981	643938516	/nfs/dbraw/zinc/93/85/16/643938516.db2.gz	ZPBBSHVWNJSEEX-ZDUSSCGKSA-N	0	1	248.326	0.091	20	30		BCEDMN
CC#CCN1CCC(NC(=O)c2cnon2)CC1	ZINC001003817803	643949036	/nfs/dbraw/zinc/94/90/36/643949036.db2.gz	SADVARVAFQMNMN-UHFFFAOYSA-N	0	1	248.286	0.287	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)C1=NC(=O)N(C)C1	ZINC000922737506	644079939	/nfs/dbraw/zinc/07/99/39/644079939.db2.gz	RDWLGCQDTNIYAI-QMMMGPOBSA-N	0	1	239.275	0.183	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000193420569	644240628	/nfs/dbraw/zinc/24/06/28/644240628.db2.gz	BWNXNQKNDSUFAC-IWSPIJDZSA-N	0	1	224.260	0.114	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)NCCCc1nc[nH]n1	ZINC000923135302	644270007	/nfs/dbraw/zinc/27/00/07/644270007.db2.gz	NZSZUSVKGOLFKX-VIFPVBQESA-N	0	1	235.291	0.400	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C	ZINC000923218701	644289831	/nfs/dbraw/zinc/28/98/31/644289831.db2.gz	XVDZHMHQRNDOLM-AEJSXWLSSA-N	0	1	209.293	0.400	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)/C=C\COC)C1	ZINC000923561011	644500905	/nfs/dbraw/zinc/50/09/05/644500905.db2.gz	PEFZENVCIPJMDU-SMYYYNMVSA-N	0	1	236.315	0.403	20	30		BCEDMN
C=CCONC(=O)N[C@@H]1CCCN(C)C1	ZINC000838703098	644543523	/nfs/dbraw/zinc/54/35/23/644543523.db2.gz	ANNQNQFHIRMNLB-SECBINFHSA-N	0	1	213.281	0.497	20	30		BCEDMN
C#C[C@H](OC(=O)CCc1nc[nH]n1)C1CC1	ZINC000089491137	644555128	/nfs/dbraw/zinc/55/51/28/644555128.db2.gz	BWAUOLQAVXOWMM-VIFPVBQESA-N	0	1	219.244	0.692	20	30		BCEDMN
C=CCOCC(=O)OCc1n[nH]c(CC)n1	ZINC000754808907	644611741	/nfs/dbraw/zinc/61/17/41/644611741.db2.gz	DGZHEMVHRVTQCV-UHFFFAOYSA-N	0	1	225.248	0.613	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1	ZINC000958357343	644791568	/nfs/dbraw/zinc/79/15/68/644791568.db2.gz	XKCKKANOPRXQPF-JZYVYDRUSA-N	0	1	247.323	0.436	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1C	ZINC000958510771	644803266	/nfs/dbraw/zinc/80/32/66/644803266.db2.gz	GJLNJBQFBKJXEQ-ITGUQSILSA-N	0	1	243.310	0.616	20	30		BCEDMN
COCCN1CCN(CCO[C@H](C)C#N)CC1	ZINC000801912534	644845090	/nfs/dbraw/zinc/84/50/90/644845090.db2.gz	VPWTXVVZIIZKRT-GFCCVEGCSA-N	0	1	241.335	0.179	20	30		BCEDMN
CC(C)CN(CCO[C@H](C)C#N)CC(N)=O	ZINC000304226087	644878172	/nfs/dbraw/zinc/87/81/72/644878172.db2.gz	JCXTXJGZLAARHX-SNVBAGLBSA-N	0	1	227.308	0.358	20	30		BCEDMN
CCNC(=O)CN(CC)CCO[C@@H](C)C#N	ZINC000304289281	644888506	/nfs/dbraw/zinc/88/85/06/644888506.db2.gz	YSMOBNXEWDEJGE-JTQLQIEISA-N	0	1	227.308	0.373	20	30		BCEDMN
C#CCNC(=O)CCN1CCC[C@@H]1c1ncc[nH]1	ZINC000815078960	644950594	/nfs/dbraw/zinc/95/05/94/644950594.db2.gz	LEJSWZDMJWIXPG-LLVKDONJSA-N	0	1	246.314	0.686	20	30		BCEDMN
CCCCOC[C@H](O)CNCCC#N	ZINC000819270067	645009836	/nfs/dbraw/zinc/00/98/36/645009836.db2.gz	SHTYJUFPXICEDG-SNVBAGLBSA-N	0	1	200.282	0.667	20	30		BCEDMN
C=C(C)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000823877604	645051416	/nfs/dbraw/zinc/05/14/16/645051416.db2.gz	AXCGGHQCIGIMJC-UHFFFAOYSA-N	0	1	215.220	0.511	20	30		BCEDMN
Cc1ncccc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834484268	645143171	/nfs/dbraw/zinc/14/31/71/645143171.db2.gz	GMPSYEZJJXRLQS-ONGXEEELSA-N	0	1	230.271	0.231	20	30		BCEDMN
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C=CCC[C@H](CO)N[C@@H](C)c1cnn(C)n1	ZINC000926545285	645268379	/nfs/dbraw/zinc/26/83/79/645268379.db2.gz	JGAUWBPWUQPABV-VHSXEESVSA-N	0	1	224.308	0.793	20	30		BCEDMN
C=CCn1cc(CN[C@H](C)C(C)(C)CO)nn1	ZINC000926615850	645315785	/nfs/dbraw/zinc/31/57/85/645315785.db2.gz	RVQFVQRBZVNUQQ-SNVBAGLBSA-N	0	1	238.335	0.961	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000845446121	645361766	/nfs/dbraw/zinc/36/17/66/645361766.db2.gz	XHBASAMDQJRACO-AEJSXWLSSA-N	0	1	220.272	0.877	20	30		BCEDMN
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C[C@H]1[C@H](C)OC[C@H]1N1CCN(CCC#N)CC1	ZINC000926808450	645439708	/nfs/dbraw/zinc/43/97/08/645439708.db2.gz	QHOPEVOGSVSYFR-RWMBFGLXSA-N	0	1	237.347	0.941	20	30		BCEDMN
CC1(C)OC[C@H](CN2CC[C@](O)(CC#N)C2)O1	ZINC000852204636	645471891	/nfs/dbraw/zinc/47/18/91/645471891.db2.gz	FDZPGKAUHURIER-CMPLNLGQSA-N	0	1	240.303	0.488	20	30		BCEDMN
C#CCOCCN1CCO[C@]2(CCSC2)C1	ZINC000852203423	645473373	/nfs/dbraw/zinc/47/33/73/645473373.db2.gz	BYJROHKHFYWIJZ-GFCCVEGCSA-N	0	1	241.356	0.844	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)c1c(C)n[nH]c1C(C)C	ZINC000854544465	645508270	/nfs/dbraw/zinc/50/82/70/645508270.db2.gz	PWIQILXPLCWMPZ-SNVBAGLBSA-N	0	1	249.314	0.956	20	30		BCEDMN
CCOC(=O)[C@H](CSC)NC(=O)C(C)C#N	ZINC000928298330	645720457	/nfs/dbraw/zinc/72/04/57/645720457.db2.gz	UDZBVOMVQDYDQQ-YUMQZZPRSA-N	0	1	244.316	0.557	20	30		BCEDMN
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C#CCN1CCC(NC(=O)c2conc2C)CC1	ZINC000928649401	645851949	/nfs/dbraw/zinc/85/19/49/645851949.db2.gz	JRODGRWNUCDIRM-UHFFFAOYSA-N	0	1	247.298	0.810	20	30		BCEDMN
C#CCN1CCC(NC(=O)C2(OC)CC2)CC1	ZINC000928649472	645852627	/nfs/dbraw/zinc/85/26/27/645852627.db2.gz	MYDLKKQURAQNHC-UHFFFAOYSA-N	0	1	236.315	0.379	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2CC(C)=NO2)CC1	ZINC000928651027	645852770	/nfs/dbraw/zinc/85/27/70/645852770.db2.gz	KIHCJDZLTNKMDC-LBPRGKRZSA-N	0	1	249.314	0.365	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@](C)(O)C=C)CC1	ZINC000928651342	645853025	/nfs/dbraw/zinc/85/30/25/645853025.db2.gz	SJPAGPISRANGKQ-CYBMUJFWSA-N	0	1	236.315	0.137	20	30		BCEDMN
C#CCN1CCC(NC(=O)CCCF)CC1	ZINC000928648882	645853434	/nfs/dbraw/zinc/85/34/34/645853434.db2.gz	UGVZESWAAZLQMY-UHFFFAOYSA-N	0	1	226.295	0.950	20	30		BCEDMN
C#CCN1CCC(NC(=O)Cn2ccnc2)CC1	ZINC000928651107	645853753	/nfs/dbraw/zinc/85/37/53/645853753.db2.gz	MUFHERFSJYDYJC-UHFFFAOYSA-N	0	1	246.314	0.097	20	30		BCEDMN
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C=C(Cl)CNC(=O)NC[C@H]1CCN1C	ZINC000925405671	646263160	/nfs/dbraw/zinc/26/31/60/646263160.db2.gz	GYUSYZKGCFQXQF-MRVPVSSYSA-N	0	1	217.700	0.742	20	30		BCEDMN
C=CC[C@H](C)NC(=O)NC[C@H]1CCN1C	ZINC000925406480	646263875	/nfs/dbraw/zinc/26/38/75/646263875.db2.gz	NOTWKNXETQWJRB-VHSXEESVSA-N	0	1	211.309	0.954	20	30		BCEDMN
C#CC1(NC(=O)NC[C@H]2CCN2C)CCCC1	ZINC000925433816	646281528	/nfs/dbraw/zinc/28/15/28/646281528.db2.gz	XMCFSALQJVFENU-LLVKDONJSA-N	0	1	235.331	0.936	20	30		BCEDMN
C#CCN(CC#C)C[C@@H]1C[C@H]1C(=O)OCC	ZINC000929758435	646291088	/nfs/dbraw/zinc/29/10/88/646291088.db2.gz	PGVKFYURHYNYMQ-NWDGAFQWSA-N	0	1	219.284	0.754	20	30		BCEDMN
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C[C@H]1[C@H](C)[N@H+](C[C@H](O)CC#N)CCN1C	ZINC000930178418	646479648	/nfs/dbraw/zinc/47/96/48/646479648.db2.gz	YQPFAPMMMTXWDR-GARJFASQSA-N	0	1	211.309	0.285	20	30		BCEDMN
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C#C[C@@H](NS(=O)(=O)c1ncc[nH]1)C(C)(C)C	ZINC000702241284	712041020	/nfs/dbraw/zinc/04/10/20/712041020.db2.gz	XCUZMYDWQINLJV-MRVPVSSYSA-N	0	1	241.316	0.736	20	30		BCEDMN
C#C[C@H](CC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708326197	712187686	/nfs/dbraw/zinc/18/76/86/712187686.db2.gz	ZSBNSTQCXXEFSR-SSDOTTSWSA-N	0	1	207.233	0.267	20	30		BCEDMN
C#C[C@@H](CCC)NC(=O)C1=NC(=O)N(C)C1	ZINC000708336606	712188660	/nfs/dbraw/zinc/18/86/60/712188660.db2.gz	WEHMZFRTQMQZHR-QMMMGPOBSA-N	0	1	221.260	0.657	20	30		BCEDMN
C#CCNC(=O)CN(CC#C)C1CCCC1	ZINC000708456764	712194767	/nfs/dbraw/zinc/19/47/67/712194767.db2.gz	JOHFHAJGOPNKCI-UHFFFAOYSA-N	0	1	218.300	0.614	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C2CC2)C1	ZINC001079334917	712347144	/nfs/dbraw/zinc/34/71/44/712347144.db2.gz	MEHFLZWELJGKAT-MWLCHTKSSA-N	0	1	206.289	0.466	20	30		BCEDMN
C[C@@H]1CC(=NNCC(=O)[O-])C[N@@H+]1C1CC1	ZINC000378674758	712356268	/nfs/dbraw/zinc/35/62/68/712356268.db2.gz	NUIWYEOKOVOOGH-SSDOTTSWSA-N	0	1	211.265	0.273	20	30		BCEDMN
C[C@@H]1CC(=NNCC(=O)[O-])C[N@H+]1C1CC1	ZINC000378674758	712356269	/nfs/dbraw/zinc/35/62/69/712356269.db2.gz	NUIWYEOKOVOOGH-SSDOTTSWSA-N	0	1	211.265	0.273	20	30		BCEDMN
Cc1cc(NC[C@@H]2CCN2C)c(C#N)cn1	ZINC000712593547	712435591	/nfs/dbraw/zinc/43/55/91/712435591.db2.gz	ZHNGWOSIPVQVLN-NSHDSACASA-N	0	1	216.288	0.800	20	30		BCEDMN
CN1CC[C@H]1CNCc1nc(C#N)cs1	ZINC000712557791	712445242	/nfs/dbraw/zinc/44/52/42/712445242.db2.gz	NSYORKOVWGRGTB-VIFPVBQESA-N	0	1	222.317	0.808	20	30		BCEDMN
N#Cc1ccc(F)c(CNCCC(N)=O)c1	ZINC000036747342	712489250	/nfs/dbraw/zinc/48/92/50/712489250.db2.gz	BLQRJEHIIBQNIO-UHFFFAOYSA-N	0	1	221.235	0.662	20	30		BCEDMN
C#CC[C@H](COC)NCc1cnccn1	ZINC000716929338	712596529	/nfs/dbraw/zinc/59/65/29/712596529.db2.gz	RLUXTVGUWXTMPN-SNVBAGLBSA-N	0	1	205.261	0.605	20	30		BCEDMN
C#CCNC(=O)CN(CC)C[C@H](C)OC	ZINC000379853003	712616850	/nfs/dbraw/zinc/61/68/50/712616850.db2.gz	KYWVYWGWLPAKAD-JTQLQIEISA-N	0	1	212.293	0.093	20	30		BCEDMN
C#C[C@@H](NS(=O)(=O)c1ncc[nH]1)C(C)C	ZINC000379952805	712636221	/nfs/dbraw/zinc/63/62/21/712636221.db2.gz	FOUKYWCYONEQGR-MRVPVSSYSA-N	0	1	227.289	0.346	20	30		BCEDMN
CC(C)(O)[C@H]1CCCN(CC(=O)NCC#N)C1	ZINC000719641276	712819775	/nfs/dbraw/zinc/81/97/75/712819775.db2.gz	ZYNRCRFKFQYTPR-JTQLQIEISA-N	0	1	239.319	0.109	20	30		BCEDMN
CC/C=C(\C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000381499615	710647717	/nfs/dbraw/zinc/64/77/17/710647717.db2.gz	CBXLDTLLKFSJKZ-GNKRQNHBSA-N	0	1	207.277	0.570	20	30		BCEDMN
CC(=O)N1CCCN(CCO[C@H](C)C#N)CC1	ZINC000384150519	710670566	/nfs/dbraw/zinc/67/05/66/710670566.db2.gz	PVXQZHXCRVMKRV-LLVKDONJSA-N	0	1	239.319	0.469	20	30		BCEDMN
CC(C)(C)CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000393737166	710671459	/nfs/dbraw/zinc/67/14/59/710671459.db2.gz	AMSQXZOXCMQJLM-IUCAKERBSA-N	0	1	209.293	0.650	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1	ZINC001038289859	710682726	/nfs/dbraw/zinc/68/27/26/710682726.db2.gz	QVWHYRJVGXWVSY-LBPRGKRZSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)c1cc[nH]c1	ZINC001038289859	710682727	/nfs/dbraw/zinc/68/27/27/710682727.db2.gz	QVWHYRJVGXWVSY-LBPRGKRZSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C	ZINC001038416767	710685653	/nfs/dbraw/zinc/68/56/53/710685653.db2.gz	LLMFEHUMMGUXDL-OLZOCXBDSA-N	0	1	249.358	0.294	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1ccn(C)n1	ZINC001039019882	710718335	/nfs/dbraw/zinc/71/83/35/710718335.db2.gz	TYZKZNVLTCEYFR-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C#CCN1CC[C@H]2CC[C@@H](C1)N2C(C)=O	ZINC001039314405	710724587	/nfs/dbraw/zinc/72/45/87/710724587.db2.gz	VBRDBEAHTHWHSH-NEPJUHHUSA-N	0	1	206.289	0.705	20	30		BCEDMN
C#CCN1CC[C@@H]2CCN(C(=O)COC)C[C@H]21	ZINC001041871761	710771608	/nfs/dbraw/zinc/77/16/08/710771608.db2.gz	FTHQSQONCRFEDG-VXGBXAGGSA-N	0	1	236.315	0.189	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)C2CC2)C1	ZINC001046092693	710848597	/nfs/dbraw/zinc/84/85/97/710848597.db2.gz	NGXSAVWTTCXEEV-LBPRGKRZSA-N	0	1	206.289	0.610	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1	ZINC001046118323	710849768	/nfs/dbraw/zinc/84/97/68/710849768.db2.gz	FMSWKUBCZDOXJF-CYBMUJFWSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cnn(C)c2)C1	ZINC001046118324	710851183	/nfs/dbraw/zinc/85/11/83/710851183.db2.gz	FMSWKUBCZDOXJF-ZDUSSCGKSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2cn[nH]c2)C1	ZINC001046161826	710853330	/nfs/dbraw/zinc/85/33/30/710853330.db2.gz	BTNFGPHCEJKXEB-LBPRGKRZSA-N	0	1	234.303	0.790	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCOC2)C1	ZINC001046177441	710853537	/nfs/dbraw/zinc/85/35/37/710853537.db2.gz	IPBHAPMJXMLKBO-YPMHNXCESA-N	0	1	236.315	0.237	20	30		BCEDMN
CC#CCN1CC[C@](C)(NC(=O)c2ncc[nH]2)C1	ZINC001046306877	710858329	/nfs/dbraw/zinc/85/83/29/710858329.db2.gz	XFKRIKAPKHBEMK-ZDUSSCGKSA-N	0	1	246.314	0.627	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cncnc2)C1	ZINC001046264344	710859167	/nfs/dbraw/zinc/85/91/67/710859167.db2.gz	QBAMKFZPXBHFLK-CYBMUJFWSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=CCN1CC[C@@](C)(NC(=O)c2cnnn2C)C1	ZINC001046284555	710859559	/nfs/dbraw/zinc/85/95/59/710859559.db2.gz	UIMVAWUNUPTVAS-GFCCVEGCSA-N	0	1	249.318	0.195	20	30		BCEDMN
C#CCCN1CC[C@@](C)(NC(=O)c2cnco2)C1	ZINC001046519701	710861922	/nfs/dbraw/zinc/86/19/22/710861922.db2.gz	JMNRTEQZQZUQRF-CYBMUJFWSA-N	0	1	247.298	0.892	20	30		BCEDMN
C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1	ZINC001048694501	710886616	/nfs/dbraw/zinc/88/66/16/710886616.db2.gz	PTSRVJXAOMWUFF-PHIMTYICSA-N	0	1	245.282	0.312	20	30		BCEDMN
C#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1	ZINC001049999095	710905573	/nfs/dbraw/zinc/90/55/73/710905573.db2.gz	SWLSAQVKVDBRNP-RWMBFGLXSA-N	0	1	245.326	0.702	20	30		BCEDMN
C#CCN1C[C@@H]2CCCN(C(=O)C3CC3)[C@@H]2C1	ZINC001049945293	710905726	/nfs/dbraw/zinc/90/57/26/710905726.db2.gz	AHVJRLVNIWPFCX-QWHCGFSZSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#CCN(CC)C[C@@H](O)CC(=O)OCC	ZINC000382542145	710973178	/nfs/dbraw/zinc/97/31/78/710973178.db2.gz	VNYPGZKAJPURQN-JTQLQIEISA-N	0	1	213.277	0.256	20	30		BCEDMN
C#CCCCN1CCN(C(=O)N(C)C)CC1	ZINC000393642845	711167785	/nfs/dbraw/zinc/16/77/85/711167785.db2.gz	XSVLAZXWJMKBQB-UHFFFAOYSA-N	0	1	223.320	0.699	20	30		BCEDMN
N#C[C@H]1CCCN(CC[C@@H]2CCNC2=O)C1	ZINC000395844262	711217080	/nfs/dbraw/zinc/21/70/80/711217080.db2.gz	JSIMEIZFVWVBFJ-MNOVXSKESA-N	0	1	221.304	0.748	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)[C@@H]3CC34CC4)C2)C1	ZINC001073012423	711430508	/nfs/dbraw/zinc/43/05/08/711430508.db2.gz	QGLYNVJYYOEZJJ-LBPRGKRZSA-N	0	1	244.338	0.954	20	30		BCEDMN
CC#CCN1CCCO[C@@H](CNC(C)=O)C1	ZINC001073505879	711440385	/nfs/dbraw/zinc/44/03/85/711440385.db2.gz	IZKJXVSWADJGBL-LBPRGKRZSA-N	0	1	224.304	0.237	20	30		BCEDMN
CC(=NNC[C@H](C)O)c1ccc(N)nc1	ZINC000393456808	710605734	/nfs/dbraw/zinc/60/57/34/710605734.db2.gz	DZJUJTLNTKNARB-ZETCQYMHSA-N	0	1	208.265	0.189	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1	ZINC001014867558	710612180	/nfs/dbraw/zinc/61/21/80/710612180.db2.gz	GCWJNFVUAUQVEF-SECBINFHSA-N	0	1	248.286	0.172	20	30		BCEDMN
C#CCN1CC[C@@H]2CCN(C(=O)C3CC3)C[C@H]21	ZINC001041877139	710771213	/nfs/dbraw/zinc/77/12/13/710771213.db2.gz	YPTCHOKBVZVHBH-DGCLKSJQSA-N	0	1	232.327	0.952	20	30		BCEDMN
C#C[C@@](C)(CC)NS(=O)(=O)c1ncc[nH]1	ZINC000384209231	710833342	/nfs/dbraw/zinc/83/33/42/710833342.db2.gz	OHPVGFNJJGAONI-VIFPVBQESA-N	0	1	227.289	0.490	20	30		BCEDMN
C[C@@H](C#N)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000900401574	710843749	/nfs/dbraw/zinc/84/37/49/710843749.db2.gz	XMIBKZLECQLPEH-IUCAKERBSA-N	0	1	209.293	0.887	20	30		BCEDMN
C#CCN1CC[C@H](c2n[nH]cc2CNC(C)=O)C1	ZINC001070389000	711137313	/nfs/dbraw/zinc/13/73/13/711137313.db2.gz	WXKLEEXDDHNKIU-NSHDSACASA-N	0	1	246.314	0.468	20	30		BCEDMN
C=CCN1CCCO[C@H](CNC(=O)C2CC2)C1	ZINC001073499857	711439691	/nfs/dbraw/zinc/43/96/91/711439691.db2.gz	XWHHZMHEEOQVBY-GFCCVEGCSA-N	0	1	238.331	0.790	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)c1cnnn1C	ZINC001038221524	711539711	/nfs/dbraw/zinc/53/97/11/711539711.db2.gz	MPQYGNPULPUBNG-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
CCN(CCOCCO)Cc1cncc(C#N)c1	ZINC000721539201	711619812	/nfs/dbraw/zinc/61/98/12/711619812.db2.gz	AKISCMVJCDDXSR-UHFFFAOYSA-N	0	1	249.314	0.784	20	30		BCEDMN
C[C@]1(O)CCN(Cc2cncc(C#N)c2)C1	ZINC000721539678	711620706	/nfs/dbraw/zinc/62/07/06/711620706.db2.gz	IDDTYFCGRGRQON-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
C[C@H]1C[C@H](O)CN1Cc1cncc(C#N)c1	ZINC000721556339	711624377	/nfs/dbraw/zinc/62/43/77/711624377.db2.gz	KSAZQLFDYYTXTR-CABZTGNLSA-N	0	1	217.272	0.908	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1	ZINC001075472070	711644168	/nfs/dbraw/zinc/64/41/68/711644168.db2.gz	KLHJLFURQZLCGW-NWDGAFQWSA-N	0	1	218.300	0.562	20	30		BCEDMN
CCCC(=O)C(C#N)C(=O)NCCCOC	ZINC000125096702	711716391	/nfs/dbraw/zinc/71/63/91/711716391.db2.gz	JDKSSWHEPBWFEY-SECBINFHSA-N	0	1	226.276	0.648	20	30		BCEDMN
CC[C@H](C)C(=O)C(C#N)C(=O)NCCCOC	ZINC000125146811	711718779	/nfs/dbraw/zinc/71/87/79/711718779.db2.gz	QTZFZXNGBGGCPD-UWVGGRQHSA-N	0	1	240.303	0.894	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1	ZINC001075619691	711761114	/nfs/dbraw/zinc/76/11/14/711761114.db2.gz	LSBCUNPLNVOTAJ-GRYCIOLGSA-N	0	1	231.299	0.312	20	30		BCEDMN
N#CC(C(=O)C[C@@H]1CCCO1)C(=O)NC1CC1	ZINC000129554127	711775703	/nfs/dbraw/zinc/77/57/03/711775703.db2.gz	UZACBUOQCJXKEC-UWVGGRQHSA-N	0	1	236.271	0.543	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1	ZINC001038108836	711795432	/nfs/dbraw/zinc/79/54/32/711795432.db2.gz	FXYGTSSFFYTXEL-LLVKDONJSA-N	0	1	246.314	0.546	20	30		BCEDMN
C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1	ZINC001076662556	711806859	/nfs/dbraw/zinc/80/68/59/711806859.db2.gz	MQISEXBKSPXBHZ-GHMZBOCLSA-N	0	1	224.304	0.134	20	30		BCEDMN
CC(C)(C#N)CNC[C@H](O)C1(O)CCC1	ZINC000905202282	711812613	/nfs/dbraw/zinc/81/26/13/711812613.db2.gz	GWRQATCCGWXJEF-VIFPVBQESA-N	0	1	212.293	0.402	20	30		BCEDMN
C/C=C/C=C\C(=O)NCC#CCN(C)C	ZINC000913514646	711823365	/nfs/dbraw/zinc/82/33/65/711823365.db2.gz	XOTXZTKVKOYUDB-WEHQGULRSA-N	0	1	206.289	0.800	20	30		BCEDMN
CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCC#CCN(C)C	ZINC000913524439	711823370	/nfs/dbraw/zinc/82/33/70/711823370.db2.gz	MQDIUNWXBGXTRC-GRYCIOLGSA-N	0	1	238.331	0.339	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1ccc(CO)cc1	ZINC000913515361	711823446	/nfs/dbraw/zinc/82/34/46/711823446.db2.gz	ULNUOAZRTICWKO-UHFFFAOYSA-N	0	1	246.310	0.474	20	30		BCEDMN
CN(C)CC#CCNC(=O)C1CC2(CC2)C1	ZINC000913524578	711823662	/nfs/dbraw/zinc/82/36/62/711823662.db2.gz	SIVNLUSOFGWVJD-UHFFFAOYSA-N	0	1	220.316	0.858	20	30		BCEDMN
C=C(C)CN1CC(NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001030208544	711828033	/nfs/dbraw/zinc/82/80/33/711828033.db2.gz	LDLFXVFIYIWOIT-UHFFFAOYSA-N	0	1	248.330	0.637	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)CC)[C@@H]1C	ZINC000992931577	711861653	/nfs/dbraw/zinc/86/16/53/711861653.db2.gz	SNJINJIMKTYYDE-WDEREUQCSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1CCC[C@H](NC(=O)CC)[C@@H]1C	ZINC000992931576	711861880	/nfs/dbraw/zinc/86/18/80/711861880.db2.gz	SNJINJIMKTYYDE-QWRGUYRKSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCCN1CC(CNC(=O)c2cc(C)on2)C1	ZINC001031536243	711877398	/nfs/dbraw/zinc/87/73/98/711877398.db2.gz	IXKBVAROGUPVRG-UHFFFAOYSA-N	0	1	247.298	0.668	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1cn[nH]c1	ZINC001038085767	711955914	/nfs/dbraw/zinc/95/59/14/711955914.db2.gz	HQVPVWCQEFBKCY-NSHDSACASA-N	0	1	234.303	0.790	20	30		BCEDMN
CNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC1(Cl)Cl	ZINC000133427338	711981036	/nfs/dbraw/zinc/98/10/36/711981036.db2.gz	DZASJMJARMRMMS-WHFBIAKZSA-N	0	1	235.070	0.635	20	30		BCEDMN
CC#CCN1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1	ZINC001032932190	711968817	/nfs/dbraw/zinc/96/88/17/711968817.db2.gz	PRXLTZOXLMOADK-LBPRGKRZSA-N	0	1	246.314	0.579	20	30		BCEDMN
C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1	ZINC001033326117	711983594	/nfs/dbraw/zinc/98/35/94/711983594.db2.gz	JLVJCYHLMFFYOI-IJLUTSLNSA-N	0	1	220.316	0.808	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1	ZINC001033504354	711995894	/nfs/dbraw/zinc/99/58/94/711995894.db2.gz	GTIXVSFHFSQVEZ-JTQLQIEISA-N	0	1	249.318	0.147	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2ccncn2)C1	ZINC001033509324	711996678	/nfs/dbraw/zinc/99/66/78/711996678.db2.gz	HKUHJVUBKSSIEQ-NSHDSACASA-N	0	1	246.314	0.809	20	30		BCEDMN
C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1	ZINC001033516088	711999254	/nfs/dbraw/zinc/99/92/54/711999254.db2.gz	PYQJAOTUQIKRBW-SNVBAGLBSA-N	0	1	249.318	0.527	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1	ZINC001033516192	711999257	/nfs/dbraw/zinc/99/92/57/711999257.db2.gz	RHZUEJLYHDIACA-SECBINFHSA-N	0	1	235.291	0.137	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1	ZINC001033542790	712003526	/nfs/dbraw/zinc/00/35/26/712003526.db2.gz	GSJUJCLOMKOPKZ-NSHDSACASA-N	0	1	246.314	0.118	20	30		BCEDMN
OC[C@H]1CN(CC#Cc2ccccc2)C[C@H]1CO	ZINC000705368813	712130847	/nfs/dbraw/zinc/13/08/47/712130847.db2.gz	GETKQPWGIPEUGG-GASCZTMLSA-N	0	1	245.322	0.571	20	30		BCEDMN
C#CCNC(=O)CN1C[C@@H]2CCCC[C@@H]21	ZINC000706725597	712153463	/nfs/dbraw/zinc/15/34/63/712153463.db2.gz	CARVPUIOKWIQOX-QWRGUYRKSA-N	0	1	206.289	0.610	20	30		BCEDMN
C[C@H]1CC(NC(=O)[C@@H]2CCc3[nH]cnc3C2)=NO1	ZINC000504725084	712165836	/nfs/dbraw/zinc/16/58/36/712165836.db2.gz	GFZDSRIKFPLSQJ-JGVFFNPUSA-N	0	1	248.286	0.753	20	30		BCEDMN
C#CC1(O)CCN(C(=O)c2ccn[nH]2)CC1	ZINC000708100639	712180967	/nfs/dbraw/zinc/18/09/67/712180967.db2.gz	MKZANCYIYPUHNV-UHFFFAOYSA-N	0	1	219.244	0.010	20	30		BCEDMN
C[C@@H](C#N)OCCN1CCNC(=O)CC1(C)C	ZINC000708100500	712181219	/nfs/dbraw/zinc/18/12/19/712181219.db2.gz	KVGHSRGCGNMUCV-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
C#CC1(O)CCN(C[C@@H](O)C(F)(F)F)CC1	ZINC000708121562	712182435	/nfs/dbraw/zinc/18/24/35/712182435.db2.gz	FJIWXRXQJGDLBK-MRVPVSSYSA-N	0	1	237.221	0.370	20	30		BCEDMN
C#CCCCN(C)[C@H](C)CS(C)(=O)=O	ZINC000708468472	712195712	/nfs/dbraw/zinc/19/57/12/712195712.db2.gz	FIOPMLBIGGKNKY-SNVBAGLBSA-N	0	1	217.334	0.765	20	30		BCEDMN
C#CCCS(=O)(=O)N(C)[C@H]1CCCN(C)C1	ZINC000711064528	712278045	/nfs/dbraw/zinc/27/80/45/712278045.db2.gz	BEDSYKXRGMSKHZ-NSHDSACASA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)NC[C@@H]1CCN1C	ZINC000923487902	712334279	/nfs/dbraw/zinc/33/42/79/712334279.db2.gz	IQNXVRKSLZTWBO-QWRGUYRKSA-N	0	1	239.319	0.028	20	30		BCEDMN
C#CCCN1C[C@@H](C)[C@H](NC(=O)C(F)F)C1	ZINC001079331636	712346631	/nfs/dbraw/zinc/34/66/31/712346631.db2.gz	FWJHWERMIDHEIR-RKDXNWHRSA-N	0	1	230.258	0.711	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1	ZINC001079372293	712347891	/nfs/dbraw/zinc/34/78/91/712347891.db2.gz	RPNLMFUNOUOMEM-ZYHUDNBSSA-N	0	1	246.314	0.713	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1	ZINC001079335325	712348436	/nfs/dbraw/zinc/34/84/36/712348436.db2.gz	VVQYLEVYUIMYPV-ZYHUDNBSSA-N	0	1	220.316	0.856	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1	ZINC001079431472	712348691	/nfs/dbraw/zinc/34/86/91/712348691.db2.gz	QHKICNFZOBTSFR-VXGBXAGGSA-N	0	1	245.326	0.708	20	30		BCEDMN
CSCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000390819125	712427774	/nfs/dbraw/zinc/42/77/74/712427774.db2.gz	SIZPYVPHPQBPQW-RKDXNWHRSA-N	0	1	227.333	0.357	20	30		BCEDMN
C#CCOc1ccccc1CNCC(=O)N(C)C	ZINC000037207373	712553256	/nfs/dbraw/zinc/55/32/56/712553256.db2.gz	VORRIGDTMFQDQR-UHFFFAOYSA-N	0	1	246.310	0.876	20	30		BCEDMN
C#CC[C@@H](COC)Nc1ncnc2[nH]cnc21	ZINC000716396520	712558040	/nfs/dbraw/zinc/55/80/40/712558040.db2.gz	UXSVOAWMBBSVDF-QMMMGPOBSA-N	0	1	231.259	0.803	20	30		BCEDMN
C#CC[C@@H](COC)NCc1snnc1C	ZINC000716818951	712576856	/nfs/dbraw/zinc/57/68/56/712576856.db2.gz	LNVRYNBZPYUNNO-VIFPVBQESA-N	0	1	225.317	0.974	20	30		BCEDMN
C#CCCS(=O)(=O)NCc1cc(C)[nH]n1	ZINC000716821438	712576893	/nfs/dbraw/zinc/57/68/93/712576893.db2.gz	BJSSILXSRMEYFR-UHFFFAOYSA-N	0	1	227.289	0.161	20	30		BCEDMN
CCOC(=O)[C@@H]1CCCN(C[C@H](O)CC#N)C1	ZINC000809571145	712584378	/nfs/dbraw/zinc/58/43/78/712584378.db2.gz	YAFMNPZVJXEWJG-GHMZBOCLSA-N	0	1	240.303	0.536	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)[C@H](C)N(C)C)C1	ZINC000848282808	712609609	/nfs/dbraw/zinc/60/96/09/712609609.db2.gz	ZXQWFYZPDMTNBI-WDEREUQCSA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CCNCC(=O)NCCCCOCC	ZINC000379919403	712626920	/nfs/dbraw/zinc/62/69/20/712626920.db2.gz	GGNUOWLAKBFFEC-UHFFFAOYSA-N	0	1	212.293	0.142	20	30		BCEDMN
OCC#CCNC[C@H](O)c1ccc(F)cc1F	ZINC000717437564	712658039	/nfs/dbraw/zinc/65/80/39/712658039.db2.gz	IJUNRTSVSHVNGS-LBPRGKRZSA-N	0	1	241.237	0.584	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cccc(F)n1	ZINC000717679234	712664367	/nfs/dbraw/zinc/66/43/67/712664367.db2.gz	GWVPGDFPHNOEDW-UHFFFAOYSA-N	0	1	235.262	0.516	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(C#N)o1	ZINC000717777809	712675779	/nfs/dbraw/zinc/67/57/79/712675779.db2.gz	VIRFJLJYNMTRKG-SECBINFHSA-N	0	1	204.229	0.625	20	30		BCEDMN
C#CC[C@@H](CO)NCc1ccnn1CC	ZINC000717785148	712676074	/nfs/dbraw/zinc/67/60/74/712676074.db2.gz	BGCYAEOATODDDO-JTQLQIEISA-N	0	1	207.277	0.377	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnccn1	ZINC000717785387	712676640	/nfs/dbraw/zinc/67/66/40/712676640.db2.gz	DGTDGIBIYCZLDF-SNVBAGLBSA-N	0	1	205.261	0.341	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccnn1CCC	ZINC000717813436	712681033	/nfs/dbraw/zinc/68/10/33/712681033.db2.gz	JHPWAMCRPYQJAX-LLVKDONJSA-N	0	1	221.304	0.767	20	30		BCEDMN
Cc1coc(C(=O)NCC#CCN(C)C)c1	ZINC000718530173	712771068	/nfs/dbraw/zinc/77/10/68/712771068.db2.gz	JAMVGNFNBHPQMP-UHFFFAOYSA-N	0	1	220.272	0.883	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(C)nnc1C	ZINC000720585926	712855377	/nfs/dbraw/zinc/85/53/77/712855377.db2.gz	ZVKIIMXGJHTHKB-LLVKDONJSA-N	0	1	207.277	0.730	20	30		BCEDMN
C[C@@H]1CN(c2cncc(C#N)n2)[C@H](C)CN1C	ZINC000591460052	719168204	/nfs/dbraw/zinc/16/82/04/719168204.db2.gz	DJEUFRSEWAFRFZ-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C[C@H]1CN(c2cncc(C#N)n2)[C@@H](C)CN1C	ZINC000591460053	719168781	/nfs/dbraw/zinc/16/87/81/719168781.db2.gz	DJEUFRSEWAFRFZ-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN(CC#N)C(=O)[C@@H]1CCN1C1CCCC1	ZINC000602085854	349433515	/nfs/dbraw/zinc/43/35/15/349433515.db2.gz	KIZHJOAGUKUEJY-NSHDSACASA-N	0	1	221.304	0.985	20	30		BCEDMN
C[C@H](C(=O)NCC1(CC#N)CC1)N(C)C	ZINC000602147636	349453372	/nfs/dbraw/zinc/45/33/72/349453372.db2.gz	CDTSIMZZNJRSLI-SECBINFHSA-N	0	1	209.293	0.747	20	30		BCEDMN
C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)N(C)C	ZINC000602153114	349462304	/nfs/dbraw/zinc/46/23/04/349462304.db2.gz	KGVRVRQRBVUWSO-KCJUWKMLSA-N	0	1	209.293	0.745	20	30		BCEDMN
C=C(C)CN1CCN(Cc2nnc(C)[nH]2)CC1	ZINC000605422551	343978368	/nfs/dbraw/zinc/97/83/68/343978368.db2.gz	IGFZJOZQHNIXMU-UHFFFAOYSA-N	0	1	235.335	0.807	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)N1CCNC[C@@H]1C	ZINC000125774868	136213219	/nfs/dbraw/zinc/21/32/19/136213219.db2.gz	ODYNZMFINWBVSP-WDEREUQCSA-N	0	1	226.320	0.788	20	30		BCEDMN
C[N@H+]1CC[C@@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1	ZINC000572352034	398144427	/nfs/dbraw/zinc/14/44/27/398144427.db2.gz	PCUWJLSGTOHNBK-ZYHUDNBSSA-N	0	1	243.314	0.879	20	30		BCEDMN
C=C(C)[C@@H](CO)N1CC[N@H+](CC)[C@@H](C)C1	ZINC000649396027	398197589	/nfs/dbraw/zinc/19/75/89/398197589.db2.gz	SUFXROIKDPHYKU-NWDGAFQWSA-N	0	1	212.337	0.949	20	30		BCEDMN
CC1(C)[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21	ZINC000172958199	259302647	/nfs/dbraw/zinc/30/26/47/259302647.db2.gz	WXCVSZUJMRLOOM-DTORHVGOSA-N	0	1	207.277	0.214	20	30		BCEDMN
CC(C)N1CCN(c2ccnc(C#N)n2)CC1	ZINC000393847700	343991437	/nfs/dbraw/zinc/99/14/37/343991437.db2.gz	RXLMBKYBOOJSJB-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
C[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CCN1	ZINC000602435032	349538823	/nfs/dbraw/zinc/53/88/23/349538823.db2.gz	SIDUEKBKLOZVQB-JTQLQIEISA-N	0	1	233.315	0.891	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1cnsn1	ZINC000294120533	398260057	/nfs/dbraw/zinc/26/00/57/398260057.db2.gz	ZQGXUZKHNJQWCF-UHFFFAOYSA-N	0	1	238.316	0.223	20	30		BCEDMN
CCN1CCN(c2cncc(C#N)n2)CC1	ZINC000259703410	349586968	/nfs/dbraw/zinc/58/69/68/349586968.db2.gz	LJQPMZJZYNADJD-UHFFFAOYSA-N	0	1	217.276	0.490	20	30		BCEDMN
CN1C[C@H](NCc2cccc(C#N)n2)CCC1=O	ZINC000602552803	349594540	/nfs/dbraw/zinc/59/45/40/349594540.db2.gz	PUZAOHAARJJKSH-GFCCVEGCSA-N	0	1	244.298	0.664	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H](NCc2cn[nH]n2)C1	ZINC000600177039	342696456	/nfs/dbraw/zinc/69/64/56/342696456.db2.gz	LSZYVNGHKUPCLK-RKDXNWHRSA-N	0	1	205.265	0.977	20	30		BCEDMN
Cc1ccnc(NCc2c[nH]nn2)c1C#N	ZINC000309616573	342754490	/nfs/dbraw/zinc/75/44/90/342754490.db2.gz	BYHCWAHIVMYPEX-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
COC(=O)Cc1c(C)[nH]n(CCC#N)c1=O	ZINC000042396755	342774051	/nfs/dbraw/zinc/77/40/51/342774051.db2.gz	GRIDWMRRRUSDMA-QMMMGPOBSA-N	0	1	223.232	0.297	20	30		BCEDMN
CC#CCN1CCN(C[C@@H]2CCCO2)CC1	ZINC000607725341	342782115	/nfs/dbraw/zinc/78/21/15/342782115.db2.gz	AQVSMZPJAXINGW-ZDUSSCGKSA-N	0	1	222.332	0.806	20	30		BCEDMN
C=C[C@H](CO)NC(=O)CN(C)C1CCC1	ZINC000630016646	361898061	/nfs/dbraw/zinc/89/80/61/361898061.db2.gz	HVYNKXLPHIJBRS-SECBINFHSA-N	0	1	212.293	0.134	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN(C)C1CCC1	ZINC000600820100	398313034	/nfs/dbraw/zinc/31/30/34/398313034.db2.gz	CMHVEUBQUYXRBY-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
COCCN1CCCN(C(=O)[C@H](C)C#N)CC1	ZINC000331886731	398313363	/nfs/dbraw/zinc/31/33/63/398313363.db2.gz	ORZLJATWPNPNEK-LLVKDONJSA-N	0	1	239.319	0.327	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCc2n[nH]nc2C1	ZINC000351610065	136248067	/nfs/dbraw/zinc/24/80/67/136248067.db2.gz	USZURQPRWJBJMW-SECBINFHSA-N	0	1	222.292	0.490	20	30		BCEDMN
CO[C@@H](CNCC1(C#N)CC1)[C@@H]1CCOC1	ZINC000602643753	349656120	/nfs/dbraw/zinc/65/61/20/349656120.db2.gz	STALTSDGBHIBAR-MNOVXSKESA-N	0	1	224.304	0.931	20	30		BCEDMN
CC(C)N(Cc1cccc(C#N)n1)C[C@@H](O)CO	ZINC000602697338	349693804	/nfs/dbraw/zinc/69/38/04/349693804.db2.gz	KCNNVSJOAXNBBV-CYBMUJFWSA-N	0	1	249.314	0.517	20	30		BCEDMN
C=C[C@H](CO)NCc1cc(C(=O)OC)c(C)[nH]1	ZINC000602720283	349712205	/nfs/dbraw/zinc/71/22/05/349712205.db2.gz	AKZOIYPVUMHYAQ-SECBINFHSA-N	0	1	238.287	0.746	20	30		BCEDMN
C[C@H]1CN(CC2(CC#N)CC2)CCN1CCO	ZINC000602810607	349755105	/nfs/dbraw/zinc/75/51/05/349755105.db2.gz	HCHULCWWEZIKKT-LBPRGKRZSA-N	0	1	237.347	0.679	20	30		BCEDMN
COCCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602856282	349788793	/nfs/dbraw/zinc/78/87/93/349788793.db2.gz	YMHZRKVADWLPGN-GHMZBOCLSA-N	0	1	211.309	0.551	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602856351	349789189	/nfs/dbraw/zinc/78/91/89/349789189.db2.gz	ZIFYUKRFVINEFE-UPJWGTAASA-N	0	1	237.347	0.842	20	30		BCEDMN
COC(=O)CCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602854873	349787699	/nfs/dbraw/zinc/78/76/99/349787699.db2.gz	DDWJPJJZADLMIN-GHMZBOCLSA-N	0	1	239.319	0.468	20	30		BCEDMN
C[C@H]1CN(Cc2c[nH]nn2)C[C@H](C)N1CC#N	ZINC000602854279	349787796	/nfs/dbraw/zinc/78/77/96/349787796.db2.gz	OCCWNQWAYDXLHW-UWVGGRQHSA-N	0	1	234.307	0.223	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)n1cc(CNC2CC2)nn1	ZINC000640883370	362068907	/nfs/dbraw/zinc/06/89/07/362068907.db2.gz	GZHHYLCYZCLRSC-SECBINFHSA-N	0	1	249.318	0.393	20	30		BCEDMN
C=CCNC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1	ZINC000359917480	136267881	/nfs/dbraw/zinc/26/78/81/136267881.db2.gz	NDYIIFLRVJEWMD-VIFPVBQESA-N	0	1	246.226	0.899	20	30		BCEDMN
C=CCCCn1cc(CN2CCN(C)CC2)nn1	ZINC000640935459	362073357	/nfs/dbraw/zinc/07/33/57/362073357.db2.gz	DOQBZPCIKOBVQS-UHFFFAOYSA-N	0	1	249.362	0.992	20	30		BCEDMN
C=CCCCCn1cc([C@@H](N)CO)nn1	ZINC000640938441	362081995	/nfs/dbraw/zinc/08/19/95/362081995.db2.gz	ANSCLKQAQSBABX-VIFPVBQESA-N	0	1	210.281	0.627	20	30		BCEDMN
CN1CCCN(C(=O)c2ccnc(C#N)c2)CC1	ZINC000194986017	136276304	/nfs/dbraw/zinc/27/63/04/136276304.db2.gz	BGPYCKYUQHJMBL-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
C=C(C)CS(=O)(=O)NCc1cnc[nH]1	ZINC000625301799	343227504	/nfs/dbraw/zinc/22/75/04/343227504.db2.gz	XVMONZFJKXCUJL-UHFFFAOYSA-N	0	1	215.278	0.405	20	30		BCEDMN
C=CCOCCn1cc([C@@H](C)NC)nn1	ZINC000641030200	362144035	/nfs/dbraw/zinc/14/40/35/362144035.db2.gz	UHKXKDAXHDNSSN-SECBINFHSA-N	0	1	210.281	0.761	20	30		BCEDMN
N/C(=N\O)[C@@H]1CCCCN1CCCF	ZINC000088025482	136283664	/nfs/dbraw/zinc/28/36/64/136283664.db2.gz	AONKCVIUERYQLN-QMMMGPOBSA-N	0	1	203.261	0.947	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000286498953	343240358	/nfs/dbraw/zinc/24/03/58/343240358.db2.gz	MFYMHHWEDALJGM-KCJUWKMLSA-N	0	1	247.302	0.574	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000286498953	343240359	/nfs/dbraw/zinc/24/03/59/343240359.db2.gz	MFYMHHWEDALJGM-KCJUWKMLSA-N	0	1	247.302	0.574	20	30		BCEDMN
C=CCOCCN1C[C@H](COC)O[C@@H](C)C1	ZINC000339112356	136280372	/nfs/dbraw/zinc/28/03/72/136280372.db2.gz	MZQQVPUTMYMECO-NWDGAFQWSA-N	0	1	229.320	0.925	20	30		BCEDMN
COC(=O)[C@@]1(NC(=O)C(C)C#N)CCSC1	ZINC000340405713	136289248	/nfs/dbraw/zinc/28/92/48/136289248.db2.gz	KZUQNMYKIROONO-GMSGAONNSA-N	0	1	242.300	0.311	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CC(C)(C)CO	ZINC000295125334	136290264	/nfs/dbraw/zinc/29/02/64/136290264.db2.gz	AGWGRELGLFGPGC-JTQLQIEISA-N	0	1	228.336	0.627	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C)[C@H](CO)C1	ZINC000621363321	343265133	/nfs/dbraw/zinc/26/51/33/343265133.db2.gz	MSRQKWKNAGSOKT-MNOVXSKESA-N	0	1	226.320	0.239	20	30		BCEDMN
CO[C@H]1C[C@@H](CO)N(Cc2cc(C#N)n(C)c2)C1	ZINC000344151437	343363791	/nfs/dbraw/zinc/36/37/91/343363791.db2.gz	VETIUVUFFIQIBJ-STQMWFEESA-N	0	1	249.314	0.478	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000408000186	343368147	/nfs/dbraw/zinc/36/81/47/343368147.db2.gz	ZUTIJPWHGZOYRV-RKDXNWHRSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000408000186	343368148	/nfs/dbraw/zinc/36/81/48/343368148.db2.gz	ZUTIJPWHGZOYRV-RKDXNWHRSA-N	0	1	247.302	0.670	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)Cc1ccn[nH]1	ZINC000344283042	343394881	/nfs/dbraw/zinc/39/48/81/343394881.db2.gz	WQJZUHGOZDSYRG-QMMMGPOBSA-N	0	1	206.249	0.570	20	30		BCEDMN
C[C@@H](C#N)CN(C)c1ncnc2nc[nH]c21	ZINC000042461305	343439533	/nfs/dbraw/zinc/43/95/33/343439533.db2.gz	XMNKBCHOSLZHFQ-ZETCQYMHSA-N	0	1	216.248	0.949	20	30		BCEDMN
C=C(C)[C@H](CO)n1cc([C@@H](C)NC)nn1	ZINC000641083424	362204027	/nfs/dbraw/zinc/20/40/27/362204027.db2.gz	BLKULAMLFZWLPL-SCZZXKLOSA-N	0	1	210.281	0.668	20	30		BCEDMN
C=CCN1CC[C@H](n2cc([C@@H](C)NC)nn2)C1=O	ZINC000641108832	362226512	/nfs/dbraw/zinc/22/65/12/362226512.db2.gz	MZVJIEYIZNBPPB-KOLCDFICSA-N	0	1	249.318	0.518	20	30		BCEDMN
C=CCN1CC[C@H](n2cc([C@H](C)NC)nn2)C1=O	ZINC000641108836	362226829	/nfs/dbraw/zinc/22/68/29/362226829.db2.gz	MZVJIEYIZNBPPB-ONGXEEELSA-N	0	1	249.318	0.518	20	30		BCEDMN
Cn1nncc1CNCC1(CC#N)CC1	ZINC000308924006	346941421	/nfs/dbraw/zinc/94/14/21/346941421.db2.gz	KAVGNPLKNOAGLB-UHFFFAOYSA-N	0	1	205.265	0.599	20	30		BCEDMN
N#Cc1csc(CNCCCn2ccnn2)n1	ZINC000352861408	136372598	/nfs/dbraw/zinc/37/25/98/136372598.db2.gz	HWZAVCBEXPIPQL-UHFFFAOYSA-N	0	1	248.315	0.786	20	30		BCEDMN
C=C[C@@H](O)C(=O)N1CCN(C(C)(C)CC)CC1	ZINC000616702251	343544601	/nfs/dbraw/zinc/54/46/01/343544601.db2.gz	ZSYLODFVWPTMRF-LLVKDONJSA-N	0	1	240.347	0.866	20	30		BCEDMN
COCC#CCN(CCOC)[C@H]1CCOC1	ZINC000683802574	488223770	/nfs/dbraw/zinc/22/37/70/488223770.db2.gz	YYBXSSIGLSIJKZ-LBPRGKRZSA-N	0	1	227.304	0.374	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N(C)CC1CN(C)C1	ZINC000618190896	343559212	/nfs/dbraw/zinc/55/92/12/343559212.db2.gz	KZDVJZGNCJUAIA-GFCCVEGCSA-N	0	1	226.320	0.334	20	30		BCEDMN
CCc1nc(NC(=O)C2(C#N)CCOCC2)n[nH]1	ZINC000479220911	529742889	/nfs/dbraw/zinc/74/28/89/529742889.db2.gz	TVLHXIGWXUMHCY-UHFFFAOYSA-N	0	1	249.274	0.626	20	30		BCEDMN
CCc1n[nH]c(NC(=O)C2(C#N)CCOCC2)n1	ZINC000479220911	529742890	/nfs/dbraw/zinc/74/28/90/529742890.db2.gz	TVLHXIGWXUMHCY-UHFFFAOYSA-N	0	1	249.274	0.626	20	30		BCEDMN
C=CCOCCCC(=O)N(C)CC1CN(C)C1	ZINC000618193389	343594223	/nfs/dbraw/zinc/59/42/23/343594223.db2.gz	UWDASGWIQQTVPJ-UHFFFAOYSA-N	0	1	240.347	0.989	20	30		BCEDMN
CO[C@H]1C[N@@H+](CCOCCC#N)[C@@](C)(CO)C1	ZINC000602963802	349826317	/nfs/dbraw/zinc/82/63/17/349826317.db2.gz	IPLATKFCDYXLTD-VXGBXAGGSA-N	0	1	242.319	0.388	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)C2(C#N)CCC2)C1	ZINC000083798260	343672003	/nfs/dbraw/zinc/67/20/03/343672003.db2.gz	QHZWBNFXNBWFEY-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
C=CCOc1ccccc1CN1C[C@@H](O)[C@@H](O)C1	ZINC000093483657	537800668	/nfs/dbraw/zinc/80/06/68/537800668.db2.gz	SOGGUBHCHOVPQJ-BETUJISGSA-N	0	1	249.310	0.789	20	30		BCEDMN
CN(CCc1c[nH]nn1)[C@@H]1CCC[C@H]1C#N	ZINC000602981879	349832826	/nfs/dbraw/zinc/83/28/26/349832826.db2.gz	KTMXBWKKCBGZIL-GXSJLCMTSA-N	0	1	219.292	0.971	20	30		BCEDMN
N#Cc1cnccc1NCCN1CCC1	ZINC000380189818	343690185	/nfs/dbraw/zinc/69/01/85/343690185.db2.gz	OJKSLOXXEMSPMI-UHFFFAOYSA-N	0	1	202.261	0.493	20	30		BCEDMN
COC[C@@H](O)CN(C)[C@@H]1CCC[C@H]1C#N	ZINC000602980291	349845057	/nfs/dbraw/zinc/84/50/57/349845057.db2.gz	OGERUGOISBODGK-GARJFASQSA-N	0	1	212.293	0.618	20	30		BCEDMN
CCC[C@H](O)CN1CCN(CCC#N)CC1	ZINC000603016774	349857085	/nfs/dbraw/zinc/85/70/85/349857085.db2.gz	JUTKAWFVHOTIDG-LBPRGKRZSA-N	0	1	225.336	0.679	20	30		BCEDMN
CCC[C@@H](O)CN1CCN(CCC#N)CC1	ZINC000603016766	349857397	/nfs/dbraw/zinc/85/73/97/349857397.db2.gz	JUTKAWFVHOTIDG-GFCCVEGCSA-N	0	1	225.336	0.679	20	30		BCEDMN
CN(C)C1CN(C(=O)CC2(C#N)CC2)C1	ZINC000590319106	346976593	/nfs/dbraw/zinc/97/65/93/346976593.db2.gz	RCEQDVBTIBKREH-UHFFFAOYSA-N	0	1	207.277	0.453	20	30		BCEDMN
C[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@@H](C)N1CC#N	ZINC000603100712	349869977	/nfs/dbraw/zinc/86/99/77/349869977.db2.gz	QQCXHBRKSNQWRE-NXEZZACHSA-N	0	1	247.302	0.468	20	30		BCEDMN
C[C@@H](CN(C)C(=O)CC1(C#N)CC1)c1nn[nH]n1	ZINC000590327176	346993318	/nfs/dbraw/zinc/99/33/18/346993318.db2.gz	LGLSCEBEJXNVDI-QMMMGPOBSA-N	0	1	248.290	0.455	20	30		BCEDMN
CCNCc1cn(CC2(C#N)CC2)nn1	ZINC000603226512	349889376	/nfs/dbraw/zinc/88/93/76/349889376.db2.gz	CSMCOXPMMJKDOW-UHFFFAOYSA-N	0	1	205.265	0.691	20	30		BCEDMN
COC[C@@H](CNCc1cccc(C#N)n1)OC	ZINC000602597475	343929783	/nfs/dbraw/zinc/92/97/83/343929783.db2.gz	QZNMSPYNMPPECA-GFCCVEGCSA-N	0	1	235.287	0.704	20	30		BCEDMN
C=C[C@@H](C(=O)OC)n1cc([C@@H](C)NC)nn1	ZINC000603238386	349904464	/nfs/dbraw/zinc/90/44/64/349904464.db2.gz	WROUXNYKVVEPAU-APPZFPTMSA-N	0	1	224.264	0.459	20	30		BCEDMN
C=C(C)[C@H](CO)N(C)[C@@H]1CCCCN(C)C1=O	ZINC000634743343	344161368	/nfs/dbraw/zinc/16/13/68/344161368.db2.gz	QTXIGZVNWWGRRN-NEPJUHHUSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=C(C)[C@@H](CO)N(C)[C@@H]1CCCCN(C)C1=O	ZINC000634743346	344161446	/nfs/dbraw/zinc/16/14/46/344161446.db2.gz	QTXIGZVNWWGRRN-VXGBXAGGSA-N	0	1	240.347	0.866	20	30		BCEDMN
C=CCCC(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000106819788	347035284	/nfs/dbraw/zinc/03/52/84/347035284.db2.gz	HPAXAAPRXKHRMV-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
CN(Cc1n[nH]c(=O)o1)C(=O)c1c[nH]c(C#N)c1	ZINC000588849256	344195535	/nfs/dbraw/zinc/19/55/35/344195535.db2.gz	LDPFLXBVGNVLGL-UHFFFAOYSA-N	0	1	247.214	0.247	20	30		BCEDMN
C[C@H](C#N)CNC[C@H](O)CC1(C#N)CC1	ZINC000600727695	344363483	/nfs/dbraw/zinc/36/34/83/344363483.db2.gz	QHVQVMIJIJHIPM-NXEZZACHSA-N	0	1	207.277	0.790	20	30		BCEDMN
C[C@@H](C#N)CNC[C@H](O)CC1(C#N)CC1	ZINC000600727697	344363969	/nfs/dbraw/zinc/36/39/69/344363969.db2.gz	QHVQVMIJIJHIPM-VHSXEESVSA-N	0	1	207.277	0.790	20	30		BCEDMN
C[N@@H+](CC(=O)N1CC(C#N)C1)C1CCC1	ZINC000600824793	344380866	/nfs/dbraw/zinc/38/08/66/344380866.db2.gz	PPOHCDKWVWGABS-UHFFFAOYSA-N	0	1	207.277	0.453	20	30		BCEDMN
C[C@@H]1CN(C)CCN1c1ccnc(C#N)n1	ZINC000380839551	344443459	/nfs/dbraw/zinc/44/34/59/344443459.db2.gz	TULBKLFJABLLPR-SECBINFHSA-N	0	1	217.276	0.489	20	30		BCEDMN
CC(=O)N1CCN(CCCCC#N)CC1	ZINC000042221918	344446961	/nfs/dbraw/zinc/44/69/61/344446961.db2.gz	SBIVATGCQRTBNO-UHFFFAOYSA-N	0	1	209.293	0.844	20	30		BCEDMN
CCN(CCC(=O)N(C)C)C[C@@H](C)C#N	ZINC000042323703	344450290	/nfs/dbraw/zinc/45/02/90/344450290.db2.gz	FTVKIARDHPQARW-JTQLQIEISA-N	0	1	211.309	0.946	20	30		BCEDMN
C=CCNC(=O)CN(C)CC1(O)CCCC1	ZINC000152315187	344518437	/nfs/dbraw/zinc/51/84/37/344518437.db2.gz	OEWOZUZBUACRNM-UHFFFAOYSA-N	0	1	226.320	0.526	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2cc(C#N)ccn2)C1	ZINC000259163417	344546467	/nfs/dbraw/zinc/54/64/67/344546467.db2.gz	VNIKGJYZMGGIAG-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C[N@H+]1CCC[C@@H](NC(=O)c2cnccc2C#N)C1	ZINC000259186133	344550468	/nfs/dbraw/zinc/55/04/68/344550468.db2.gz	WJSGGCVSUCEMAR-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2cnccc2C#N)C1	ZINC000259186133	344550470	/nfs/dbraw/zinc/55/04/70/344550470.db2.gz	WJSGGCVSUCEMAR-LLVKDONJSA-N	0	1	244.298	0.777	20	30		BCEDMN
C[C@H](C#N)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000044828245	344552069	/nfs/dbraw/zinc/55/20/69/344552069.db2.gz	LZVGJDSJBMOZJK-RKDXNWHRSA-N	0	1	207.277	0.499	20	30		BCEDMN
C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1nnc[nH]1	ZINC000181374769	347057302	/nfs/dbraw/zinc/05/73/02/347057302.db2.gz	YNTKWAXKSHZLEJ-LURJTMIESA-N	0	1	230.231	0.495	20	30		BCEDMN
C=C(C)CCN1CCO[C@@H](CC(N)=O)C1	ZINC000626076316	344723162	/nfs/dbraw/zinc/72/31/62/344723162.db2.gz	JLSSCVYNSKBFIM-JTQLQIEISA-N	0	1	212.293	0.529	20	30		BCEDMN
C[C@H](CC#N)NC(=O)[C@H]1CCCCN1C	ZINC000259843540	344694332	/nfs/dbraw/zinc/69/43/32/344694332.db2.gz	FMKWJLCCPVHXPN-NXEZZACHSA-N	0	1	209.293	0.889	20	30		BCEDMN
CCN1CCC[C@H](NC(=O)c2cnnn2C)C1	ZINC000328667077	537859554	/nfs/dbraw/zinc/85/95/54/537859554.db2.gz	KQZKWAKVMKKUCN-VIFPVBQESA-N	0	1	237.307	0.604	20	30		BCEDMN
CCN1CCC[C@@H](NC(=O)c2cnnn2C)C1	ZINC000328667076	537859603	/nfs/dbraw/zinc/85/96/03/537859603.db2.gz	KQZKWAKVMKKUCN-SECBINFHSA-N	0	1	237.307	0.604	20	30		BCEDMN
CC(=O)N[C@@H]1CCC[N@@H+](CCCC#N)C1	ZINC000076708928	344808443	/nfs/dbraw/zinc/80/84/43/344808443.db2.gz	YNVNBONIFNOXIN-LLVKDONJSA-N	0	1	209.293	0.891	20	30		BCEDMN
CC(=O)N[C@@H]1CCCN(CCCC#N)C1	ZINC000076708928	344808446	/nfs/dbraw/zinc/80/84/46/344808446.db2.gz	YNVNBONIFNOXIN-LLVKDONJSA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CCNC(=O)CN1CCN(CCCC)CC1	ZINC000078507584	344879797	/nfs/dbraw/zinc/87/97/97/344879797.db2.gz	NNGXSJGOLOYGJQ-UHFFFAOYSA-N	0	1	239.363	0.706	20	30		BCEDMN
Cn1nncc1CNCc1cccc(C#N)c1	ZINC000135852925	344909277	/nfs/dbraw/zinc/90/92/77/344909277.db2.gz	HEZHOMHNJHERFL-UHFFFAOYSA-N	0	1	227.271	0.977	20	30		BCEDMN
CN(C(=O)CSCC#N)[C@@H]1CCCN(C)C1	ZINC000153790394	344977600	/nfs/dbraw/zinc/97/76/00/344977600.db2.gz	FMMHTBXKIHREMP-SNVBAGLBSA-N	0	1	241.360	0.796	20	30		BCEDMN
CC[C@@](C)(C#N)C(=O)N1CCc2[nH]nnc2C1	ZINC000353484750	344982486	/nfs/dbraw/zinc/98/24/86/344982486.db2.gz	XNKQMNZIPIFGGP-NSHDSACASA-N	0	1	233.275	0.629	20	30		BCEDMN
CO[C@]1(C)CCCN(CC(=O)NCC#N)C1	ZINC000408276965	345019267	/nfs/dbraw/zinc/01/92/67/345019267.db2.gz	NAVDKXUPFGODHH-LLVKDONJSA-N	0	1	225.292	0.127	20	30		BCEDMN
CC[C@@H]1CN(C(=O)CC#N)CCN1C[C@H](C)O	ZINC000408320233	345145684	/nfs/dbraw/zinc/14/56/84/345145684.db2.gz	NTXDAHZJCRESPL-WDEREUQCSA-N	0	1	239.319	0.204	20	30		BCEDMN
CCN(C[C@H](C)C#N)C(=O)Cn1ccnc1CN	ZINC000600965872	345250318	/nfs/dbraw/zinc/25/03/18/345250318.db2.gz	CNRJPWWIAFDGAV-SNVBAGLBSA-N	0	1	249.318	0.350	20	30		BCEDMN
C[C@@]1(CNC(=O)NCCN2CCC2)CCOC1	ZINC000328695024	537895663	/nfs/dbraw/zinc/89/56/63/537895663.db2.gz	GGWUYFMFZOKJJP-LBPRGKRZSA-N	0	1	241.335	0.622	20	30		BCEDMN
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C	ZINC000248356473	345365821	/nfs/dbraw/zinc/36/58/21/345365821.db2.gz	OIZYEJWNJNSLSF-ZJUUUORDSA-N	0	1	239.319	0.729	20	30		BCEDMN
C=C[C@H](C(=O)OC)N1CCN(C2CCC2)CC1	ZINC000378693769	345474434	/nfs/dbraw/zinc/47/44/34/345474434.db2.gz	BSPWBCVDYMAQKN-GFCCVEGCSA-N	0	1	238.331	0.884	20	30		BCEDMN
CN1CCO[C@H]2CN(c3cnccc3C#N)C[C@@H]21	ZINC000091741753	345603902	/nfs/dbraw/zinc/60/39/02/345603902.db2.gz	LPYRPAKPCJNLNY-STQMWFEESA-N	0	1	244.298	0.472	20	30		BCEDMN
C#C[C@H](C)NCc1cccc(C(N)=O)c1	ZINC000166453563	166216587	/nfs/dbraw/zinc/21/65/87/166216587.db2.gz	OWYUROUCFWBRAI-VIFPVBQESA-N	0	1	202.257	0.897	20	30		BCEDMN
C#C[C@H](C)NCc1cc(C(N)=O)cs1	ZINC000166528332	166216719	/nfs/dbraw/zinc/21/67/19/166216719.db2.gz	RJWMDXQRJPYYPT-ZETCQYMHSA-N	0	1	208.286	0.958	20	30		BCEDMN
CCN(C[C@@H](C)C#N)C(=O)CCc1nn[nH]n1	ZINC000600999493	345938141	/nfs/dbraw/zinc/93/81/41/345938141.db2.gz	CNIGOPNPQXXFKX-QMMMGPOBSA-N	0	1	236.279	0.140	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)Cc1ncn[nH]1	ZINC000601026710	346000861	/nfs/dbraw/zinc/00/08/61/346000861.db2.gz	OCJLEMIVNPMCJF-UHFFFAOYSA-N	0	1	221.264	0.498	20	30		BCEDMN
C[C@H]1NC(=O)CC[C@@H]1NCC1(C#N)CC1	ZINC000332011668	346170659	/nfs/dbraw/zinc/17/06/59/346170659.db2.gz	TXSYGUNZFNKQEL-BDAKNGLRSA-N	0	1	207.277	0.547	20	30		BCEDMN
N#Cc1ccc(C(=O)NC[C@H]2COCCN2)cc1	ZINC000236408842	346236749	/nfs/dbraw/zinc/23/67/49/346236749.db2.gz	QRXRHBPNWIWJAR-LBPRGKRZSA-N	0	1	245.282	0.276	20	30		BCEDMN
C=CC[C@@H](CO)NCc1cc(C)n(C)n1	ZINC000641752870	362678856	/nfs/dbraw/zinc/67/88/56/362678856.db2.gz	RMBYLDATZUAYGL-JTQLQIEISA-N	0	1	209.293	0.755	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn2ccccc12	ZINC000289751012	346332191	/nfs/dbraw/zinc/33/21/91/346332191.db2.gz	HKFNSACETFMTNT-LLVKDONJSA-N	0	1	217.272	0.971	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cnc(N(C)C)nc1	ZINC000641769064	362708450	/nfs/dbraw/zinc/70/84/50/362708450.db2.gz	OWHJRMIZRPYTBE-LBPRGKRZSA-N	0	1	248.330	0.407	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc(C)o1	ZINC000641767737	362702287	/nfs/dbraw/zinc/70/22/87/362702287.db2.gz	PYJAYTLQIOGWSP-SNVBAGLBSA-N	0	1	208.261	0.847	20	30		BCEDMN
CC#CC[C@H](CO)NCc1c(C)nnn1CC	ZINC000641767880	362702550	/nfs/dbraw/zinc/70/25/50/362702550.db2.gz	RVZCJCCQDVXQRJ-LLVKDONJSA-N	0	1	236.319	0.470	20	30		BCEDMN
CC#CC[C@H](CO)NCc1ccc(CO)o1	ZINC000641769316	362704098	/nfs/dbraw/zinc/70/40/98/362704098.db2.gz	SMBVAMPGCASRIU-SNVBAGLBSA-N	0	1	223.272	0.636	20	30		BCEDMN
N#Cc1cncc(N2CCN(CC3CC3)CC2)n1	ZINC000401308061	346574282	/nfs/dbraw/zinc/57/42/82/346574282.db2.gz	BOSZOQFOANBHRH-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
N#Cc1nccc(N[C@@H]2CCCc3cn[nH]c32)n1	ZINC000577149784	365838933	/nfs/dbraw/zinc/83/89/33/365838933.db2.gz	LHTKDGNEPXVPLI-SECBINFHSA-N	0	1	240.270	0.983	20	30		BCEDMN
CC[N@H+]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1	ZINC000588069016	346632292	/nfs/dbraw/zinc/63/22/92/346632292.db2.gz	ZBNNXYXXQRURSL-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
CCN1CCN(c2ccc(C#N)nn2)[C@@H](C)C1	ZINC000588069016	346632294	/nfs/dbraw/zinc/63/22/94/346632294.db2.gz	ZBNNXYXXQRURSL-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
N#Cc1cccc(NCCCc2nc(=O)[nH][nH]2)n1	ZINC000301576065	187371261	/nfs/dbraw/zinc/37/12/61/187371261.db2.gz	ZVTBWZRXFDWIPH-UHFFFAOYSA-N	0	1	244.258	0.409	20	30		BCEDMN
Cc1cc(CNC(=O)c2cnccc2C#N)n[nH]1	ZINC000589838784	346741176	/nfs/dbraw/zinc/74/11/76/346741176.db2.gz	NCTMCUHWOXHEQV-UHFFFAOYSA-N	0	1	241.254	0.915	20	30		BCEDMN
CC1(C)CN(C(=O)c2cccc(C#N)n2)CCN1	ZINC000589840633	346743923	/nfs/dbraw/zinc/74/39/23/346743923.db2.gz	QNNBIXBMMSUBGT-UHFFFAOYSA-N	0	1	244.298	0.777	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000590433385	347107273	/nfs/dbraw/zinc/10/72/73/347107273.db2.gz	KGVIEVBKMSGHAO-JGVFFNPUSA-N	0	1	233.275	0.643	20	30		BCEDMN
N#CCCOCCN1CCc2cn[nH]c2C1	ZINC000590167011	346786132	/nfs/dbraw/zinc/78/61/32/346786132.db2.gz	QQGAHZWICWWCEZ-UHFFFAOYSA-N	0	1	220.276	0.698	20	30		BCEDMN
N#C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CC1	ZINC000108829207	347206187	/nfs/dbraw/zinc/20/61/87/347206187.db2.gz	NTZLDRFRDJMMSS-JTQLQIEISA-N	0	1	230.271	0.930	20	30		BCEDMN
C=C(C)CCNC(=O)N1CCN[C@@H](C)C1	ZINC000335650049	347268638	/nfs/dbraw/zinc/26/86/38/347268638.db2.gz	QKSRWHNRQTVYTL-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
C[C@@H](C(=O)N(C)CC(C)(C)C#N)N(C)C	ZINC000590494309	347413093	/nfs/dbraw/zinc/41/30/93/347413093.db2.gz	ZYPHIAKQIHSQEO-VIFPVBQESA-N	0	1	211.309	0.945	20	30		BCEDMN
CCCc1cc(C(=O)N2CC(C#N)C2)n[nH]1	ZINC000590483306	347363688	/nfs/dbraw/zinc/36/36/88/347363688.db2.gz	BMKVAXBZRXIYER-UHFFFAOYSA-N	0	1	218.260	0.958	20	30		BCEDMN
N#CC1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C1	ZINC000590483688	347366542	/nfs/dbraw/zinc/36/65/42/347366542.db2.gz	MMSOMNZPNDDSDD-VIFPVBQESA-N	0	1	230.271	0.812	20	30		BCEDMN
CN(C)c1ccncc1C(=O)N1CC(C#N)C1	ZINC000590488591	347382268	/nfs/dbraw/zinc/38/22/68/347382268.db2.gz	RWNHYWXPCOLEIT-UHFFFAOYSA-N	0	1	230.271	0.743	20	30		BCEDMN
C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ncc[nH]1	ZINC000601466162	347388792	/nfs/dbraw/zinc/38/87/92/347388792.db2.gz	ZRHZSTVFSXDRQA-ZETCQYMHSA-N	0	1	240.288	0.475	20	30		BCEDMN
C[C@@]1(C#N)CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000601469336	347393135	/nfs/dbraw/zinc/39/31/35/347393135.db2.gz	BHURITZDXCCMPQ-VIFPVBQESA-N	0	1	240.288	0.334	20	30		BCEDMN
N#Cc1c[nH]c(=O)n(CC2=CCCC2)c1=O	ZINC000592354394	347767361	/nfs/dbraw/zinc/76/73/61/347767361.db2.gz	MQBDQGVJRGNILB-UHFFFAOYSA-N	0	1	217.228	0.519	20	30		BCEDMN
N#CC[C@@]1(O)CC[N@@H+](CCc2cn[nH]c2)C1	ZINC000592150142	347740483	/nfs/dbraw/zinc/74/04/83/347740483.db2.gz	BGOJTAVFQJWRHJ-LLVKDONJSA-N	0	1	220.276	0.303	20	30		BCEDMN
CCc1nc(CN2CC[C@](O)(CC#N)C2)n[nH]1	ZINC000592150410	347741475	/nfs/dbraw/zinc/74/14/75/347741475.db2.gz	BXJGFCQGJLPFSL-LLVKDONJSA-N	0	1	235.291	0.218	20	30		BCEDMN
CCn1cc(CCN2CC[C@](O)(CC#N)C2)cn1	ZINC000592152891	347743453	/nfs/dbraw/zinc/74/34/53/347743453.db2.gz	GJXRZTAHTFPTIE-CYBMUJFWSA-N	0	1	248.330	0.796	20	30		BCEDMN
CCC#C[C@H](C)N1C[C@@H](O)C[C@H](C(=O)OC)C1	ZINC000592200921	347752897	/nfs/dbraw/zinc/75/28/97/347752897.db2.gz	WUYOCERLPSMCKC-SRVKXCTJSA-N	0	1	239.315	0.644	20	30		BCEDMN
Cn1cccc1CN1CC[C@@](O)(CC#N)C1	ZINC000592523623	347794876	/nfs/dbraw/zinc/79/48/76/347794876.db2.gz	OWIZYLIIFIPYHT-LBPRGKRZSA-N	0	1	219.288	0.876	20	30		BCEDMN
Cc1n[nH]c(C)c1CN1CC[C@](O)(CC#N)C1	ZINC000592524081	347794907	/nfs/dbraw/zinc/79/49/07/347794907.db2.gz	VBVZNJGBGIAJCO-GFCCVEGCSA-N	0	1	234.303	0.877	20	30		BCEDMN
C[C@@H](O)CN1CCN([C@@H](C)CCC#N)CC1	ZINC000593011205	347841455	/nfs/dbraw/zinc/84/14/55/347841455.db2.gz	NDJZNKBQEICBOK-NWDGAFQWSA-N	0	1	225.336	0.677	20	30		BCEDMN
N#CCSCCCN1C[C@@H]2C[C@H]1C[S@]2=O	ZINC000593096183	347854319	/nfs/dbraw/zinc/85/43/19/347854319.db2.gz	CVRHECJHRULEJS-AMJWSMQMSA-N	0	1	244.385	0.838	20	30		BCEDMN
C=CCCC(=O)N1CCCNC[C@H]1C(=O)OC	ZINC000592964953	347835615	/nfs/dbraw/zinc/83/56/15/347835615.db2.gz	UOOJVXQAVFFFNU-JTQLQIEISA-N	0	1	240.303	0.316	20	30		BCEDMN
N#CCCC1CCN([C@H]2CC(=O)NC2=O)CC1	ZINC000593920027	347963098	/nfs/dbraw/zinc/96/30/98/347963098.db2.gz	HMOOCHXQENPYMN-JTQLQIEISA-N	0	1	235.287	0.417	20	30		BCEDMN
N#CC1(CC(=O)NCCCc2nc[nH]n2)CC1	ZINC000593911343	347969973	/nfs/dbraw/zinc/96/99/73/347969973.db2.gz	RINSLMKUDPXDCE-UHFFFAOYSA-N	0	1	233.275	0.547	20	30		BCEDMN
C[C@H](C#N)CNC(=O)CN1CC[C@H](C)C1	ZINC000577409309	365947748	/nfs/dbraw/zinc/94/77/48/365947748.db2.gz	UYGIBSHRTMGTAC-VHSXEESVSA-N	0	1	209.293	0.604	20	30		BCEDMN
C[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@H]1O	ZINC000593970614	347975073	/nfs/dbraw/zinc/97/50/73/347975073.db2.gz	YUDFWACNLXQQSP-BXKDBHETSA-N	0	1	217.272	0.766	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000594259830	348027778	/nfs/dbraw/zinc/02/77/78/348027778.db2.gz	KSOQUNJOSRZROJ-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
COc1cc(CN[C@@H]2COC[C@@H]2O)ccc1C#N	ZINC000323377869	348019208	/nfs/dbraw/zinc/01/92/08/348019208.db2.gz	GJDCEZSJDPKSKS-NEPJUHHUSA-N	0	1	248.282	0.416	20	30		BCEDMN
COC[C@H](C)OC[C@H](O)CN1CC(CC#N)C1	ZINC000594715989	348105599	/nfs/dbraw/zinc/10/55/99/348105599.db2.gz	FRLPEYRUMFJIHM-CMPLNLGQSA-N	0	1	242.319	0.244	20	30		BCEDMN
CCOC(=O)CC[C@H](O)CN1CC(CC#N)C1	ZINC000594716770	348106476	/nfs/dbraw/zinc/10/64/76/348106476.db2.gz	VLQHRNWVZMDFLZ-NSHDSACASA-N	0	1	240.303	0.536	20	30		BCEDMN
CCC(CC)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000594908326	348135724	/nfs/dbraw/zinc/13/57/24/348135724.db2.gz	HUQRGCJJDGISAP-UHFFFAOYSA-N	0	1	221.260	0.844	20	30		BCEDMN
C=CCCNCc1cn(CC(=O)OC)nn1	ZINC000594960481	348150971	/nfs/dbraw/zinc/15/09/71/348150971.db2.gz	REPKXEOZQPPYJZ-UHFFFAOYSA-N	0	1	224.264	0.117	20	30		BCEDMN
CCN(C[C@H](C)C#N)C[C@@H]1CNC(=O)C1	ZINC000595297689	348216943	/nfs/dbraw/zinc/21/69/43/348216943.db2.gz	JGENPJQCBBEZQV-ZJUUUORDSA-N	0	1	209.293	0.604	20	30		BCEDMN
N#CCC1CCN([C@@H]2CC(=O)NC2=O)CC1	ZINC000563821470	323179271	/nfs/dbraw/zinc/17/92/71/323179271.db2.gz	QVDMAJBBJMIYAE-SECBINFHSA-N	0	1	221.260	0.027	20	30		BCEDMN
N#CC[C@H]1CCCN([C@@H]2CCNC2=O)C1	ZINC000595613441	348287865	/nfs/dbraw/zinc/28/78/65/348287865.db2.gz	DDWBYZKGYNBUSY-NXEZZACHSA-N	0	1	207.277	0.501	20	30		BCEDMN
N#CC[C@H]1CCCN([C@H]2CCNC2=O)C1	ZINC000595613451	348288443	/nfs/dbraw/zinc/28/84/43/348288443.db2.gz	DDWBYZKGYNBUSY-ZJUUUORDSA-N	0	1	207.277	0.501	20	30		BCEDMN
C[C@H](C#N)N(CCc1c[nH]nn1)C1CC1	ZINC000595709696	348321647	/nfs/dbraw/zinc/32/16/47/348321647.db2.gz	ITNPIQGPBULWBK-MRVPVSSYSA-N	0	1	205.265	0.724	20	30		BCEDMN
N#CC1(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000595728165	348329558	/nfs/dbraw/zinc/32/95/58/348329558.db2.gz	KLHIPQPJKYTJIF-QWRGUYRKSA-N	0	1	233.315	0.891	20	30		BCEDMN
CN(C)C(=O)CCN1CC[C@](C)(C#N)C1	ZINC000595838696	348372712	/nfs/dbraw/zinc/37/27/12/348372712.db2.gz	DEMGBVTWNFFOHP-LLVKDONJSA-N	0	1	209.293	0.700	20	30		BCEDMN
C#CCCN1CCN(C(=O)c2cnc(C)[nH]2)CC1	ZINC000264832049	187397829	/nfs/dbraw/zinc/39/78/29/187397829.db2.gz	JGEOCCQQMABMMZ-UHFFFAOYSA-N	0	1	246.314	0.499	20	30		BCEDMN
CC(C)OC[C@H](N)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595983128	348418208	/nfs/dbraw/zinc/41/82/08/348418208.db2.gz	YRGCMSVWCVZWNF-CMPLNLGQSA-N	0	1	239.319	0.501	20	30		BCEDMN
C[C@]1(C#N)CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1	ZINC000595904981	348396102	/nfs/dbraw/zinc/39/61/02/348396102.db2.gz	NLWVMYLXCYYZKJ-VXGBXAGGSA-N	0	1	235.331	0.743	20	30		BCEDMN
N#Cc1cnnc(N2CCc3cn[nH]c3C2)c1	ZINC000596170922	348460859	/nfs/dbraw/zinc/46/08/59/348460859.db2.gz	AUZXZDIGQQZROF-UHFFFAOYSA-N	0	1	226.243	0.634	20	30		BCEDMN
CCN1CCN(c2cc(C#N)cnn2)[C@@H](C)C1	ZINC000596231312	348471984	/nfs/dbraw/zinc/47/19/84/348471984.db2.gz	PWMDNNNBGYJPOU-JTQLQIEISA-N	0	1	231.303	0.879	20	30		BCEDMN
CC(C)(C#N)CCCN1C[C@H](O)C[C@H]1C(N)=O	ZINC000596622219	348595780	/nfs/dbraw/zinc/59/57/80/348595780.db2.gz	WSQYTWDIXNQANA-ZJUUUORDSA-N	0	1	239.319	0.237	20	30		BCEDMN
C[C@H](CC#N)C(=O)N1CCCN(C)CC1	ZINC000596630240	348597540	/nfs/dbraw/zinc/59/75/40/348597540.db2.gz	HMYOZEIJNAJOES-SNVBAGLBSA-N	0	1	209.293	0.700	20	30		BCEDMN
C#CCCN1CCN(c2nccn2C)CC1	ZINC000270470668	187399168	/nfs/dbraw/zinc/39/91/68/187399168.db2.gz	BXCWWETYFTZPLF-UHFFFAOYSA-N	0	1	218.304	0.565	20	30		BCEDMN
C[C@]1(C#N)CCN(c2nc3[nH]ncc3c(=O)[nH]2)C1	ZINC000596530173	348566803	/nfs/dbraw/zinc/56/68/03/348566803.db2.gz	LVTRBGYMWUDBCG-LLVKDONJSA-N	0	1	244.258	0.798	20	30		BCEDMN
CCC[C@@H](C#N)NC(=O)Cc1n[nH]c(C)n1	ZINC000597039355	348647835	/nfs/dbraw/zinc/64/78/35/348647835.db2.gz	LHLCQAPUTAZBMD-QMMMGPOBSA-N	0	1	221.264	0.464	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000597040790	348648820	/nfs/dbraw/zinc/64/88/20/348648820.db2.gz	ZRBNIEQHQRPADO-BDAKNGLRSA-N	0	1	232.287	0.933	20	30		BCEDMN
CCC[C@@H](NC(=O)[C@@H](C)CC#N)c1nn[nH]n1	ZINC000597360764	348722930	/nfs/dbraw/zinc/72/29/30/348722930.db2.gz	LMCGZQDASOEZDN-JGVFFNPUSA-N	0	1	236.279	0.707	20	30		BCEDMN
CN(C)C1(C(=O)NCC2(C#N)CC2)CC1	ZINC000597609728	348769495	/nfs/dbraw/zinc/76/94/95/348769495.db2.gz	MMMCJWQQLSFLIS-UHFFFAOYSA-N	0	1	207.277	0.501	20	30		BCEDMN
Cc1nc(CC(=O)N[C@@]2(C#N)CC2(C)C)n[nH]1	ZINC000597672248	348783451	/nfs/dbraw/zinc/78/34/51/348783451.db2.gz	UJAGKWJMBNXQFU-LLVKDONJSA-N	0	1	233.275	0.464	20	30		BCEDMN
CC#CCN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1	ZINC000266162213	192373671	/nfs/dbraw/zinc/37/36/71/192373671.db2.gz	ITZGHYBNPGTQTM-SNVBAGLBSA-N	0	1	246.314	0.711	20	30		BCEDMN
C#CCNC(=O)CCSc1nnc(C)[nH]1	ZINC000266712722	192373702	/nfs/dbraw/zinc/37/37/02/192373702.db2.gz	CVNPZHGSQIJKNM-UHFFFAOYSA-N	0	1	224.289	0.345	20	30		BCEDMN
CCN(CC(=O)N1CC(CC#N)C1)C1CC1	ZINC000598033240	348867611	/nfs/dbraw/zinc/86/76/11/348867611.db2.gz	VGOCJBLWPAOIAJ-UHFFFAOYSA-N	0	1	221.304	0.843	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)c1cnc[nH]1)C1CC1	ZINC000598128798	348894243	/nfs/dbraw/zinc/89/42/43/348894243.db2.gz	POISLRTUZBCGAF-ZETCQYMHSA-N	0	1	204.233	0.926	20	30		BCEDMN
CCN(C(=O)[C@H]1CCCN1C)[C@H](C)C#N	ZINC000598359872	348945154	/nfs/dbraw/zinc/94/51/54/348945154.db2.gz	NLDZAKBIVQDSHW-NXEZZACHSA-N	0	1	209.293	0.841	20	30		BCEDMN
C[C@@H](C#N)N(C(=O)[C@H](C)N(C)C)C1CC1	ZINC000598131877	348899406	/nfs/dbraw/zinc/89/94/06/348899406.db2.gz	NTVLZFDRGRNPAW-IUCAKERBSA-N	0	1	209.293	0.840	20	30		BCEDMN
CCN(C(=O)Cc1ccn[nH]1)[C@@H](C)C#N	ZINC000598360940	348946099	/nfs/dbraw/zinc/94/60/99/348946099.db2.gz	YILVFVFHDCNWRM-QMMMGPOBSA-N	0	1	206.249	0.713	20	30		BCEDMN
CC(C)(C#N)C[C@H](O)CNCc1cc[nH]n1	ZINC000598714745	349024997	/nfs/dbraw/zinc/02/49/97/349024997.db2.gz	JZRDKEODPIGKTJ-JTQLQIEISA-N	0	1	222.292	0.800	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)CC1(O)CCC1	ZINC000599437363	349177178	/nfs/dbraw/zinc/17/71/78/349177178.db2.gz	OVQOWVDQKGJGFN-MNOVXSKESA-N	0	1	226.320	0.934	20	30		BCEDMN
Cn1cc(CCN2CCC(C)(C#N)CC2)nn1	ZINC000599365456	349160706	/nfs/dbraw/zinc/16/07/06/349160706.db2.gz	CYAJVTVCGKBYHL-UHFFFAOYSA-N	0	1	233.319	0.983	20	30		BCEDMN
N#CCCCCN1CCN(c2nccnn2)CC1	ZINC000599509081	349213863	/nfs/dbraw/zinc/21/38/63/349213863.db2.gz	GATNMZBRVREYGA-UHFFFAOYSA-N	0	1	246.318	0.687	20	30		BCEDMN
CC#CCN1CC[C@@](OC)(C(=O)OC)C1	ZINC000599565716	349219662	/nfs/dbraw/zinc/21/96/62/349219662.db2.gz	VVXZZWROPRHHID-NSHDSACASA-N	0	1	211.261	0.274	20	30		BCEDMN
C=CC[C@@H](CO)NCc1nccn1CC	ZINC000309053894	323221230	/nfs/dbraw/zinc/22/12/30/323221230.db2.gz	SNSSLPGVXOKFBY-JTQLQIEISA-N	0	1	209.293	0.930	20	30		BCEDMN
CN(C(=O)CCc1c[nH]nn1)[C@@H]1CCC[C@H]1C#N	ZINC000601801727	349340516	/nfs/dbraw/zinc/34/05/16/349340516.db2.gz	PXYLXAZMLGUQEX-GXSJLCMTSA-N	0	1	247.302	0.888	20	30		BCEDMN
CN(C(=O)CCc1cnn[nH]1)[C@@H]1CCC[C@H]1C#N	ZINC000601801727	349340520	/nfs/dbraw/zinc/34/05/20/349340520.db2.gz	PXYLXAZMLGUQEX-GXSJLCMTSA-N	0	1	247.302	0.888	20	30		BCEDMN
CN(C(=O)Cc1ncn[nH]1)[C@H]1CCC[C@H]1C#N	ZINC000601803712	349358245	/nfs/dbraw/zinc/35/82/45/349358245.db2.gz	ZUFPHXMCFSPWDX-IUCAKERBSA-N	0	1	233.275	0.498	20	30		BCEDMN
CC1(C)C[C@@]1(C#N)NC(=O)Cc1nnc[nH]1	ZINC000601589586	349304395	/nfs/dbraw/zinc/30/43/95/349304395.db2.gz	SGZQSLOKNBMFBV-JTQLQIEISA-N	0	1	219.248	0.156	20	30		BCEDMN
CCN(C(=O)Cc1ncn[nH]1)[C@@H](C)C#N	ZINC000601671286	349319043	/nfs/dbraw/zinc/31/90/43/349319043.db2.gz	RXVFDQAXPHNCNC-ZETCQYMHSA-N	0	1	207.237	0.108	20	30		BCEDMN
COC(=O)Cc1c[nH]n([C@H](C)CC#N)c1=O	ZINC000601936083	349390273	/nfs/dbraw/zinc/39/02/73/349390273.db2.gz	PAKHPWKDWVKSOQ-SFYZADRCSA-N	0	1	223.232	0.296	20	30		BCEDMN
C[C@@](O)(C[C@H](O)CNCC1(C#N)CC1)C1CC1	ZINC000601967644	349404519	/nfs/dbraw/zinc/40/45/19/349404519.db2.gz	VRQDTVLXQAQSEY-NWDGAFQWSA-N	0	1	238.331	0.792	20	30		BCEDMN
C[C@H](C(=O)N(C)C1(C#N)CCC1)N(C)C	ZINC000602080230	349430034	/nfs/dbraw/zinc/43/00/34/349430034.db2.gz	IEZAMORBVFEWCV-SECBINFHSA-N	0	1	209.293	0.841	20	30		BCEDMN
C=CCOCCCNC(=O)[C@H]1CCCN1C	ZINC000618523967	350128577	/nfs/dbraw/zinc/12/85/77/350128577.db2.gz	XYTYQEUAUGPURJ-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
Cc1nc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1	ZINC000353262053	180048303	/nfs/dbraw/zinc/04/83/03/180048303.db2.gz	RVZCMADJWYXWPC-LURJTMIESA-N	0	1	244.258	0.804	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1ccc(CN(C)C)nc1	ZINC000426857509	191047227	/nfs/dbraw/zinc/04/72/27/191047227.db2.gz	IIORRWZOININJP-NSHDSACASA-N	0	1	249.314	0.420	20	30		BCEDMN
CCc1ccnc(C(=O)Nc2nn[nH]n2)c1	ZINC000028257175	350353599	/nfs/dbraw/zinc/35/35/99/350353599.db2.gz	PNUVSKAJPOBZJL-UHFFFAOYSA-N	0	1	218.220	0.793	20	30		BCEDMN
C=C(C)CN1CCC[C@@H]1CS(=O)(=O)NC	ZINC000336653303	350420146	/nfs/dbraw/zinc/42/01/46/350420146.db2.gz	XXHFDUUDLRPPPB-SNVBAGLBSA-N	0	1	232.349	0.576	20	30		BCEDMN
CC(C)(C#N)CCN1CC[C@H](S(N)(=O)=O)C1	ZINC000336665154	350425842	/nfs/dbraw/zinc/42/58/42/350425842.db2.gz	FLBUNNBROQJJBQ-VIFPVBQESA-N	0	1	245.348	0.289	20	30		BCEDMN
N#CCC(=O)N1CCN2CCCC[C@@H]2C1	ZINC000094439845	350483345	/nfs/dbraw/zinc/48/33/45/350483345.db2.gz	JZJIXUDPHBCZCH-SNVBAGLBSA-N	0	1	207.277	0.597	20	30		BCEDMN
N#CCC1(CNc2ccncc2C(N)=O)CC1	ZINC000577573078	365996892	/nfs/dbraw/zinc/99/68/92/365996892.db2.gz	RIQXIDKNPQBQIE-UHFFFAOYSA-N	0	1	230.271	0.708	20	30		BCEDMN
CN1CCO[C@H]2CN(c3ncccc3C#N)C[C@@H]21	ZINC000153161464	362981991	/nfs/dbraw/zinc/98/19/91/362981991.db2.gz	RMGWMZKOPWRJAZ-RYUDHWBXSA-N	0	1	244.298	0.472	20	30		BCEDMN
C[C@@H](NCc1ccc(C#N)o1)[C@@H]1CN(C)CCO1	ZINC000129102454	350986878	/nfs/dbraw/zinc/98/68/78/350986878.db2.gz	SKGYOXUORBLTKT-MFKMUULPSA-N	0	1	249.314	0.960	20	30		BCEDMN
CN1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC000611030445	358461476	/nfs/dbraw/zinc/46/14/76/358461476.db2.gz	VISFPQVKTRFXTK-SNVBAGLBSA-N	0	1	232.287	0.710	20	30		BCEDMN
CC(C)N1CCN(c2nccc(C#N)n2)CC1	ZINC000231897309	351442491	/nfs/dbraw/zinc/44/24/91/351442491.db2.gz	ZAFXDVQEWJUYHU-UHFFFAOYSA-N	0	1	231.303	0.879	20	30		BCEDMN
N#CCCCN[C@@H](Cc1ccccc1)C(N)=O	ZINC000273384957	351526519	/nfs/dbraw/zinc/52/65/19/351526519.db2.gz	GSVGXYAGGJITEQ-LBPRGKRZSA-N	0	1	231.299	0.976	20	30		BCEDMN
C=CCn1cc(CNCC2(O)CCCC2)nn1	ZINC000577742556	366049410	/nfs/dbraw/zinc/04/94/10/366049410.db2.gz	XYJDWUGQYBBZNM-UHFFFAOYSA-N	0	1	236.319	0.859	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@]1(C)CNCCO1	ZINC000637869262	351729515	/nfs/dbraw/zinc/72/95/15/351729515.db2.gz	KCOBHIJIBIGSDY-LBPRGKRZSA-N	0	1	224.304	0.566	20	30		BCEDMN
CCN1CCC[C@H]1CNS(=O)(=O)[C@@H](C)C#N	ZINC000088475396	351802955	/nfs/dbraw/zinc/80/29/55/351802955.db2.gz	JOQFAGFIOZYQEY-UWVGGRQHSA-N	0	1	245.348	0.302	20	30		BCEDMN
CC1(C#N)CN(C(=O)CCCCc2cn[nH]n2)C1	ZINC000280609448	351852782	/nfs/dbraw/zinc/85/27/82/351852782.db2.gz	ZIAIGNCABWMRJX-UHFFFAOYSA-N	0	1	247.302	0.890	20	30		BCEDMN
N#CCCCNC(=O)NCCN1CC=CCC1	ZINC000280660303	351855755	/nfs/dbraw/zinc/85/57/55/351855755.db2.gz	SVBOSRCBHWZSOD-UHFFFAOYSA-N	0	1	236.319	0.851	20	30		BCEDMN
N#CCCN1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000125614866	191144303	/nfs/dbraw/zinc/14/43/03/191144303.db2.gz	PQFAPTGHIRLAFN-MNOVXSKESA-N	0	1	221.304	0.891	20	30		BCEDMN
N#CCCC[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000284382251	351996142	/nfs/dbraw/zinc/99/61/42/351996142.db2.gz	VAKPPRHHDMXABN-VIFPVBQESA-N	0	1	236.275	0.846	20	30		BCEDMN
C=CCN(C)CC[N@@H+](CC)[C@@H]1CCNC1=O	ZINC000340204977	352040844	/nfs/dbraw/zinc/04/08/44/352040844.db2.gz	XQJCXVBDWRHPMA-LLVKDONJSA-N	0	1	225.336	0.315	20	30		BCEDMN
C=C1CCN(C(=O)[C@]2(C)CNCCO2)CC1	ZINC000638380880	352190954	/nfs/dbraw/zinc/19/09/54/352190954.db2.gz	GWRPOAGPXQNOEI-LBPRGKRZSA-N	0	1	224.304	0.544	20	30		BCEDMN
N#CCCN1CCN(Cc2cnc[nH]2)CC1	ZINC000619511122	352202555	/nfs/dbraw/zinc/20/25/55/352202555.db2.gz	KQRHWXKUEBNRRY-UHFFFAOYSA-N	0	1	219.292	0.441	20	30		BCEDMN
C=CC[C@@H](CC)NC(=O)NC[C@H]1COCCN1	ZINC000627027104	363120876	/nfs/dbraw/zinc/12/08/76/363120876.db2.gz	IXLVNYGKCGOHDR-MNOVXSKESA-N	0	1	241.335	0.629	20	30		BCEDMN
C=CCOCCNC(=O)c1oc(CN)cc1C	ZINC000638423856	352231011	/nfs/dbraw/zinc/23/10/11/352231011.db2.gz	FSMGOVNQNRQOBJ-UHFFFAOYSA-N	0	1	238.287	0.979	20	30		BCEDMN
CN(CCC#N)C(=O)CN(C)[C@H]1CCSC1	ZINC000037174842	358469386	/nfs/dbraw/zinc/46/93/86/358469386.db2.gz	ACLBJCVUSVVMBX-JTQLQIEISA-N	0	1	241.360	0.796	20	30		BCEDMN
C=CC(C)(C)CNC(=O)NC[C@@H]1COCCN1	ZINC000627050160	363171142	/nfs/dbraw/zinc/17/11/42/363171142.db2.gz	CSMWYXKVVYLAGG-SNVBAGLBSA-N	0	1	241.335	0.486	20	30		BCEDMN
C=CCOCC(=O)N1CCNC[C@@H]1C(C)C	ZINC000638488831	352297350	/nfs/dbraw/zinc/29/73/50/352297350.db2.gz	WTYXWINAITVUFF-LLVKDONJSA-N	0	1	226.320	0.645	20	30		BCEDMN
CC(C)(C)c1nc(CN2CCOC[C@H]2C#N)n[nH]1	ZINC000292931513	352333583	/nfs/dbraw/zinc/33/35/83/352333583.db2.gz	MQLVUPSSOGNANJ-SECBINFHSA-N	0	1	249.318	0.827	20	30		BCEDMN
C=CCCO[C@H](C)C(=O)NC[C@H]1COCCN1	ZINC000638621353	352460709	/nfs/dbraw/zinc/46/07/09/352460709.db2.gz	WGZUALXKBNCNGA-MNOVXSKESA-N	0	1	242.319	0.072	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1n[nH]c(CC)n1	ZINC000297553743	352478914	/nfs/dbraw/zinc/47/89/14/352478914.db2.gz	RJQUMXVGVABOBR-ZETCQYMHSA-N	0	1	221.264	0.188	20	30		BCEDMN
C=C(C)C[N@@H+]1CCN(C)C[C@H](C(=O)OC)C1	ZINC000411901130	191228784	/nfs/dbraw/zinc/22/87/84/191228784.db2.gz	FXTHUSUKBNXIPV-NSHDSACASA-N	0	1	226.320	0.599	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccnc1	ZINC000035206496	188060873	/nfs/dbraw/zinc/06/08/73/188060873.db2.gz	QKQHAWGHABXBHY-QWRGUYRKSA-N	0	1	231.299	0.870	20	30		BCEDMN
C#CCN(CCn1ccc([N+](=O)[O-])n1)C1CC1	ZINC000274153126	188092074	/nfs/dbraw/zinc/09/20/74/188092074.db2.gz	LGDDNNLHWRRIOD-UHFFFAOYSA-N	0	1	234.259	0.889	20	30		BCEDMN
CN(C)c1ccncc1C(=O)N[C@H]1CNC(=O)C1	ZINC000330851982	353193883	/nfs/dbraw/zinc/19/38/83/353193883.db2.gz	FNZKAOOJKLDVDD-MRVPVSSYSA-N	0	1	248.286	0.341	20	30		BCEDMN
CC[C@@H](O)CNCc1nc(C#N)cs1	ZINC000336654800	188163693	/nfs/dbraw/zinc/16/36/93/188163693.db2.gz	MZMAGFTXXQBTMC-MRVPVSSYSA-N	0	1	211.290	0.875	20	30		BCEDMN
N#Cc1ncn(CCNCc2ccco2)n1	ZINC000309600823	188149722	/nfs/dbraw/zinc/14/97/22/188149722.db2.gz	WJRXEKVTPRIKIK-UHFFFAOYSA-N	0	1	217.232	0.533	20	30		BCEDMN
CC#CCCN1CCN(C(C)=O)C[C@H]1C	ZINC000274110342	188200059	/nfs/dbraw/zinc/20/00/59/188200059.db2.gz	VUFKAXOXGYKCRX-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
C[C@H](Nc1cnc(C#N)cn1)c1nnc[nH]1	ZINC000128799179	188221342	/nfs/dbraw/zinc/22/13/42/188221342.db2.gz	PKJBIGZKHRHERA-LURJTMIESA-N	0	1	215.220	0.639	20	30		BCEDMN
C=CCC[C@@H](O)CN(CCOC)[C@@H](C)C(N)=O	ZINC000128173060	353287166	/nfs/dbraw/zinc/28/71/66/353287166.db2.gz	XULMXPQXOQZOMC-WDEREUQCSA-N	0	1	244.335	0.136	20	30		BCEDMN
C=CCNC(=O)C[N@H+]1CCCO[C@H](CC)C1	ZINC000281444755	353447300	/nfs/dbraw/zinc/44/73/00/353447300.db2.gz	QDPGLXVJPQSENM-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)CN1CCCO[C@H](CC)C1	ZINC000281444755	353447306	/nfs/dbraw/zinc/44/73/06/353447306.db2.gz	QDPGLXVJPQSENM-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN(C)C	ZINC000281171442	353431511	/nfs/dbraw/zinc/43/15/11/353431511.db2.gz	BFNUESMSTPGXEC-CMPLNLGQSA-N	0	1	226.320	0.645	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN(C)C	ZINC000281173305	353437117	/nfs/dbraw/zinc/43/71/17/353437117.db2.gz	BFNUESMSTPGXEC-ZYHUDNBSSA-N	0	1	226.320	0.645	20	30		BCEDMN
C#CCCN(CCC)[C@@H]1CC(=O)N(C)C1=O	ZINC000282419815	353471581	/nfs/dbraw/zinc/47/15/81/353471581.db2.gz	GQYPUVOCFMIHBZ-SNVBAGLBSA-N	0	1	222.288	0.479	20	30		BCEDMN
C#CCCCC(=O)N[C@H](CCC)c1nn[n-]n1	ZINC000192156640	353544820	/nfs/dbraw/zinc/54/48/20/353544820.db2.gz	HWEFTBOLSFNYFL-SECBINFHSA-N	0	1	235.291	0.961	20	30		BCEDMN
C#CCCCC(=O)N[C@H](CCC)c1nn[nH]n1	ZINC000192156640	353544821	/nfs/dbraw/zinc/54/48/21/353544821.db2.gz	HWEFTBOLSFNYFL-SECBINFHSA-N	0	1	235.291	0.961	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C2(CO)CC2)C1=O	ZINC000285517484	353544923	/nfs/dbraw/zinc/54/49/23/353544923.db2.gz	OAIQHEGIITVKAU-SNVBAGLBSA-N	0	1	224.304	0.230	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)C[C@H](C)OC	ZINC000285867143	353547475	/nfs/dbraw/zinc/54/74/75/353547475.db2.gz	XYWNDIVJZZPMOU-UWVGGRQHSA-N	0	1	212.293	0.091	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)NCc1cn[nH]c1C	ZINC000289459321	353629479	/nfs/dbraw/zinc/62/94/79/353629479.db2.gz	CHNXJEHQSPBEPO-LLVKDONJSA-N	0	1	223.276	0.661	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	ZINC000289543574	353631981	/nfs/dbraw/zinc/63/19/81/353631981.db2.gz	WVKSHZHBWVBZOC-SECBINFHSA-N	0	1	220.276	0.301	20	30		BCEDMN
CC#CC[N@@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000289543574	353631984	/nfs/dbraw/zinc/63/19/84/353631984.db2.gz	WVKSHZHBWVBZOC-SECBINFHSA-N	0	1	220.276	0.301	20	30		BCEDMN
CC#CC[N@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000289543574	353631986	/nfs/dbraw/zinc/63/19/86/353631986.db2.gz	WVKSHZHBWVBZOC-SECBINFHSA-N	0	1	220.276	0.301	20	30		BCEDMN
C#CCN(CCN1CCNC1=O)C1CC1	ZINC000289707863	353638176	/nfs/dbraw/zinc/63/81/76/353638176.db2.gz	FRUACOWUSVKWBI-UHFFFAOYSA-N	0	1	207.277	0.109	20	30		BCEDMN
C#Cc1ccc(CN2CCN(CCO)CC2)cc1	ZINC000289164984	353619492	/nfs/dbraw/zinc/61/94/92/353619492.db2.gz	RIOJJSMONJNEIT-UHFFFAOYSA-N	0	1	244.338	0.778	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)[C@H]1CCCN1C1CC1	ZINC000290655542	353666050	/nfs/dbraw/zinc/66/60/50/353666050.db2.gz	RHQUIQRQRLEHID-GXSJLCMTSA-N	0	1	224.304	0.276	20	30		BCEDMN
C=C[C@@H](CO)NC(=O)c1[nH]nc2c1CCC2	ZINC000290663686	353666968	/nfs/dbraw/zinc/66/69/68/353666968.db2.gz	RZAZUGKETNHQGS-ZETCQYMHSA-N	0	1	221.260	0.175	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CCCC[N@@H+]1CC	ZINC000291294994	353684927	/nfs/dbraw/zinc/68/49/27/353684927.db2.gz	PZINBHXKXQPNPZ-SNVBAGLBSA-N	0	1	210.277	0.542	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CCSC	ZINC000361571752	166386283	/nfs/dbraw/zinc/38/62/83/166386283.db2.gz	OIIKYHFODGZXCG-VIFPVBQESA-N	0	1	216.350	0.972	20	30		BCEDMN
C=C[C@@H](O)C(=O)Nc1cc(N(C)C)ccn1	ZINC000613442397	363253535	/nfs/dbraw/zinc/25/35/35/363253535.db2.gz	HQPWDIUEJHEUGC-SECBINFHSA-N	0	1	221.260	0.633	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)c1ccoc1	ZINC000293872521	353762526	/nfs/dbraw/zinc/76/25/26/353762526.db2.gz	BWNWIPVLFXHOGN-UHFFFAOYSA-N	0	1	220.272	0.965	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N1CCCN(C)CC1	ZINC000294436104	353778301	/nfs/dbraw/zinc/77/83/01/353778301.db2.gz	RRMKUJOZKKPGOX-NSHDSACASA-N	0	1	224.304	0.189	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)CN1CCC(C)CC1	ZINC000178283029	366112126	/nfs/dbraw/zinc/11/21/26/366112126.db2.gz	KMFYEQVRQGESRI-NSHDSACASA-N	0	1	223.320	0.994	20	30		BCEDMN
C#CCNC(=O)CCN(C)Cc1ccco1	ZINC000293317974	353740392	/nfs/dbraw/zinc/74/03/92/353740392.db2.gz	CCEXFVSMKYANER-UHFFFAOYSA-N	0	1	220.272	0.851	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000186080221	353869688	/nfs/dbraw/zinc/86/96/88/353869688.db2.gz	YRMPRYVNJPWICN-RKDXNWHRSA-N	0	1	234.303	0.970	20	30		BCEDMN
N#CCCCN1CCC(CS(N)(=O)=O)CC1	ZINC000119629277	181035890	/nfs/dbraw/zinc/03/58/90/181035890.db2.gz	JBAGLJIVITXIAJ-UHFFFAOYSA-N	0	1	245.348	0.291	20	30		BCEDMN
CC#CCCCC(=O)NC(C)(C)c1nn[nH]n1	ZINC000343913827	354039589	/nfs/dbraw/zinc/03/95/89/354039589.db2.gz	IICAIXWZVLIXGM-UHFFFAOYSA-N	0	1	235.291	0.745	20	30		BCEDMN
CCOC(=O)[C@@H](CCOC)NC(=O)C(C)C#N	ZINC000343928640	354044974	/nfs/dbraw/zinc/04/49/74/354044974.db2.gz	CJWOZAHSKIYDOK-RKDXNWHRSA-N	0	1	242.275	0.230	20	30		BCEDMN
C=C[C@@H](C)Nc1nc(NC)nc(N[C@H](C)C=C)n1	ZINC000343903262	354054856	/nfs/dbraw/zinc/05/48/56/354054856.db2.gz	YIHGNCXKYPZNDR-RKDXNWHRSA-N	0	1	248.334	0.152	20	30		BCEDMN
C=C(C)CCN1C[C@H](O)C[C@@H]1C(=O)OC	ZINC000164828300	188576609	/nfs/dbraw/zinc/57/66/09/188576609.db2.gz	GVOAVUKPTKXLTE-NXEZZACHSA-N	0	1	213.277	0.561	20	30		BCEDMN
CCC[C@@]1(CO)CCN(CC(=O)NCC#N)C1	ZINC000344235416	354186409	/nfs/dbraw/zinc/18/64/09/354186409.db2.gz	LCCZUTPKNZHCNV-GFCCVEGCSA-N	0	1	239.319	0.111	20	30		BCEDMN
CC1=C[C@@H](C)CN(CC(=O)NCC#N)C1	ZINC000334595955	354229270	/nfs/dbraw/zinc/22/92/70/354229270.db2.gz	QPSPENQCPGIVIU-SECBINFHSA-N	0	1	207.277	0.524	20	30		BCEDMN
CNC(=O)[C@H](C)CN(C)CC1(C#N)CC1	ZINC000331792089	134002444	/nfs/dbraw/zinc/00/24/44/134002444.db2.gz	VHJMKSPRRUXDGM-SECBINFHSA-N	0	1	209.293	0.604	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCN2CC=CCC2)[nH]1	ZINC000280303740	181099572	/nfs/dbraw/zinc/09/95/72/181099572.db2.gz	SEJKHHYWSXVXNH-UHFFFAOYSA-N	0	1	244.298	0.878	20	30		BCEDMN
C=C[C@@H](C(=O)OC)N1CCN(C(C)C)CC1	ZINC000301045169	363373115	/nfs/dbraw/zinc/37/31/15/363373115.db2.gz	NJCJJAWSGQZOOW-NSHDSACASA-N	0	1	226.320	0.740	20	30		BCEDMN
N#Cc1ccc(CN(CCO)CCCO)s1	ZINC000124441282	181102294	/nfs/dbraw/zinc/10/22/94/181102294.db2.gz	YMJVDQGRGLSRSK-UHFFFAOYSA-N	0	1	240.328	0.796	20	30		BCEDMN
N#Cc1ccc(CNCCOCCO)o1	ZINC000135481050	181107792	/nfs/dbraw/zinc/10/77/92/181107792.db2.gz	DXKPZPKWOPQVHU-UHFFFAOYSA-N	0	1	210.233	0.250	20	30		BCEDMN
CCN(CC(=O)NC[C@@H](C)C#N)C1CC1	ZINC000179046918	366201353	/nfs/dbraw/zinc/20/13/53/366201353.db2.gz	BOYKERIOYJZBOX-VIFPVBQESA-N	0	1	209.293	0.747	20	30		BCEDMN
N#Cc1cccc(CN[C@H]2CCCNC2=O)c1	ZINC000050394113	181138415	/nfs/dbraw/zinc/13/84/15/181138415.db2.gz	ZXXTZGOECHVECA-LBPRGKRZSA-N	0	1	229.283	0.926	20	30		BCEDMN
N#Cc1cccc(C2(NCC(N)=O)CC2)c1	ZINC000271810693	181136486	/nfs/dbraw/zinc/13/64/86/181136486.db2.gz	QRUFJZXNUCHWQA-UHFFFAOYSA-N	0	1	215.256	0.622	20	30		BCEDMN
C=CCCCC(=O)NCCc1nc[nH]n1	ZINC000345724179	354744311	/nfs/dbraw/zinc/74/43/11/354744311.db2.gz	PMVOOJIUWDOUOK-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
N#Cc1ccnc(C(=O)NCc2cnc[nH]2)c1	ZINC000353938601	181155532	/nfs/dbraw/zinc/15/55/32/181155532.db2.gz	HKFOCDWYNMSCCA-UHFFFAOYSA-N	0	1	227.227	0.606	20	30		BCEDMN
C=CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000335163227	354916953	/nfs/dbraw/zinc/91/69/53/354916953.db2.gz	ILTSFVKMQMDYEN-MRVPVSSYSA-N	0	1	220.276	0.752	20	30		BCEDMN
C=CCOCCCN1C[C@@H](F)C[C@H]1CO	ZINC000346358916	354889864	/nfs/dbraw/zinc/88/98/64/354889864.db2.gz	LCWDCJJXJAYXJV-QWRGUYRKSA-N	0	1	217.284	0.984	20	30		BCEDMN
C=CCNC(=O)CN1CC[C@@H](C(=O)OC)[C@@H]1C	ZINC000346687827	355012812	/nfs/dbraw/zinc/01/28/12/355012812.db2.gz	WTCPJOQJAGOZCC-VHSXEESVSA-N	0	1	240.303	0.172	20	30		BCEDMN
C=CCOCC(=O)N1C[C@H](C)N(C)C[C@H]1C	ZINC000352008076	134034984	/nfs/dbraw/zinc/03/49/84/134034984.db2.gz	ZSJWJWWMMFNUSF-WDEREUQCSA-N	0	1	226.320	0.740	20	30		BCEDMN
C[C@H](CC#N)N(C)C(=O)C[C@H]1COCCN1	ZINC000087509571	355353127	/nfs/dbraw/zinc/35/31/27/355353127.db2.gz	LXHZZFSMYPWBQM-ZJUUUORDSA-N	0	1	225.292	0.125	20	30		BCEDMN
C=CCNC(=O)CN1CCC2(CCO2)CC1	ZINC000367100338	355423406	/nfs/dbraw/zinc/42/34/06/355423406.db2.gz	OTNQTNDZSROLHB-UHFFFAOYSA-N	0	1	224.304	0.544	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)[C@@H](C)CO)CC1	ZINC000126320966	324693561	/nfs/dbraw/zinc/69/35/61/324693561.db2.gz	XEYSFXOYVRCBRI-NSHDSACASA-N	0	1	238.331	0.171	20	30		BCEDMN
CC(C)[C@H]1CN(C)CCN1C(=O)CC#N	ZINC000336023600	134056540	/nfs/dbraw/zinc/05/65/40/134056540.db2.gz	ONYRVBHCMKTZAN-SNVBAGLBSA-N	0	1	209.293	0.699	20	30		BCEDMN
Cc1cc(NS(C)(=O)=O)nn1CCC#N	ZINC000536611389	355843644	/nfs/dbraw/zinc/84/36/44/355843644.db2.gz	BSTYCDCJUVCJMP-UHFFFAOYSA-N	0	1	228.277	0.477	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(C)Cc1ccccc1O	ZINC000109772302	355858267	/nfs/dbraw/zinc/85/82/67/355858267.db2.gz	BWRFEPHTYAAZDP-NSHDSACASA-N	0	1	246.310	0.962	20	30		BCEDMN
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cnn[nH]1	ZINC000329533160	355927754	/nfs/dbraw/zinc/92/77/54/355927754.db2.gz	XTENUMXSDLWCMU-SSDOTTSWSA-N	0	1	249.274	0.120	20	30		BCEDMN
Cc1nnc(NC(=O)[C@H]2COCCN2C)[nH]1	ZINC000329049367	355891551	/nfs/dbraw/zinc/89/15/51/355891551.db2.gz	WATHSHOPRMZHHZ-SSDOTTSWSA-N	0	1	225.252	0.032	20	30		BCEDMN
Cc1n[nH]c(NC(=O)[C@H]2COCCN2C)n1	ZINC000329049367	355891553	/nfs/dbraw/zinc/89/15/53/355891553.db2.gz	WATHSHOPRMZHHZ-SSDOTTSWSA-N	0	1	225.252	0.032	20	30		BCEDMN
C=CCOCC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1	ZINC000617556832	356114550	/nfs/dbraw/zinc/11/45/50/356114550.db2.gz	YVEKRVBAIYKZJW-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
CN(CC#N)C(=O)[C@@H]1CCCN1C1CC1	ZINC000336107477	134083051	/nfs/dbraw/zinc/08/30/51/134083051.db2.gz	UVVDJAKCMGAFPH-JTQLQIEISA-N	0	1	207.277	0.595	20	30		BCEDMN
CC[C@H](O)CN1CCN(CC2(C#N)CC2)CC1	ZINC000331364580	356198822	/nfs/dbraw/zinc/19/88/22/356198822.db2.gz	BNCSWZJBRQDZGJ-LBPRGKRZSA-N	0	1	237.347	0.679	20	30		BCEDMN
CC[C@@](C)(C#N)NC(=O)[C@H]1CCCN1C	ZINC000609619463	356392991	/nfs/dbraw/zinc/39/29/91/356392991.db2.gz	AHVPNCISGHICLR-KOLCDFICSA-N	0	1	209.293	0.889	20	30		BCEDMN
CC1(C)CCN(CC(=O)NCC#N)CCS1	ZINC000336149123	134103589	/nfs/dbraw/zinc/10/35/89/134103589.db2.gz	CBIPLZNHCQPLJQ-UHFFFAOYSA-N	0	1	241.360	0.844	20	30		BCEDMN
CCN(CC(=O)NC1(C#N)CCC1)C[C@@H](C)O	ZINC000352220087	134109274	/nfs/dbraw/zinc/10/92/74/134109274.db2.gz	GZRDEDMUFVFQDK-SNVBAGLBSA-N	0	1	239.319	0.252	20	30		BCEDMN
COc1cc(C(=O)Nc2ccncc2C#N)on1	ZINC000346672870	356539049	/nfs/dbraw/zinc/53/90/49/356539049.db2.gz	ZNCZRZNOQSSMAP-UHFFFAOYSA-N	0	1	244.210	0.624	20	30		BCEDMN
CCc1nc(NC(=O)[C@@]2(C#N)C[C@H]2C)n[nH]1	ZINC000450136201	202084312	/nfs/dbraw/zinc/08/43/12/202084312.db2.gz	NPJDFPOQKDINQX-LHLIQPBNSA-N	0	1	219.248	0.855	20	30		BCEDMN
CCc1n[nH]c(NC(=O)[C@@]2(C#N)C[C@H]2C)n1	ZINC000450136201	202084315	/nfs/dbraw/zinc/08/43/15/202084315.db2.gz	NPJDFPOQKDINQX-LHLIQPBNSA-N	0	1	219.248	0.855	20	30		BCEDMN
C=CCN1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000639714910	356616779	/nfs/dbraw/zinc/61/67/79/356616779.db2.gz	BVDHZBYWJSPTGI-QMMMGPOBSA-N	0	1	221.260	0.863	20	30		BCEDMN
C=CCN1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000639714909	356616787	/nfs/dbraw/zinc/61/67/87/356616787.db2.gz	BVDHZBYWJSPTGI-MRVPVSSYSA-N	0	1	221.260	0.863	20	30		BCEDMN
CC#CCN1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000639714854	356616816	/nfs/dbraw/zinc/61/68/16/356616816.db2.gz	WYMUCDZMJKVDQI-VIFPVBQESA-N	0	1	233.271	0.700	20	30		BCEDMN
CNC(=O)CCN1CCC(F)(C#N)CC1	ZINC000352468272	134146133	/nfs/dbraw/zinc/14/61/33/134146133.db2.gz	QCTIQFSUEKYYFS-UHFFFAOYSA-N	0	1	213.256	0.450	20	30		BCEDMN
C=CCNC(=O)CN1CCC(OC)CC1	ZINC000053897349	363555950	/nfs/dbraw/zinc/55/59/50/363555950.db2.gz	AQIWHURMSCHIDN-UHFFFAOYSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC(OC)CC1	ZINC000053897987	363556905	/nfs/dbraw/zinc/55/69/05/363556905.db2.gz	NACZSAOVIYWLQD-JTQLQIEISA-N	0	1	226.320	0.788	20	30		BCEDMN
Cn1cc(CCCN2CCN(CC#N)CC2)cn1	ZINC000384492190	356663717	/nfs/dbraw/zinc/66/37/17/356663717.db2.gz	ICEVKPQNQULGQK-UHFFFAOYSA-N	0	1	247.346	0.494	20	30		BCEDMN
C=CCN1CC[C@H](N2CCC(C)(O)CC2)C1=O	ZINC000336613756	134151578	/nfs/dbraw/zinc/15/15/78/134151578.db2.gz	LFKSTXPPMLSAPH-NSHDSACASA-N	0	1	238.331	0.620	20	30		BCEDMN
C=CCCCN1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000352769785	134151911	/nfs/dbraw/zinc/15/19/11/134151911.db2.gz	KKEJSZFJPAGTOT-SECBINFHSA-N	0	1	223.276	0.189	20	30		BCEDMN
CCc1nc(CNc2ccncc2C#N)n[nH]1	ZINC000399409059	356690246	/nfs/dbraw/zinc/69/02/46/356690246.db2.gz	CYUVAEOLLDUTCX-UHFFFAOYSA-N	0	1	228.259	0.668	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)c1ccc2[nH]nnc2c1	ZINC000194745372	134162597	/nfs/dbraw/zinc/16/25/97/134162597.db2.gz	DUDBFDPDNGXVCU-ZETCQYMHSA-N	0	1	229.243	0.990	20	30		BCEDMN
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C=CCN(C(=O)CCc1nc[nH]n1)C1CC1	ZINC000357510375	134183617	/nfs/dbraw/zinc/18/36/17/134183617.db2.gz	IHQXPAABWUYZIQ-UHFFFAOYSA-N	0	1	220.276	0.914	20	30		BCEDMN
CC(C)(C#N)CNS(=O)(=O)c1ncc[nH]1	ZINC000389722940	357020132	/nfs/dbraw/zinc/02/01/32/357020132.db2.gz	PXSIZGDTXSIQHR-UHFFFAOYSA-N	0	1	228.277	0.238	20	30		BCEDMN
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)C(C)C#N	ZINC000359103040	134193754	/nfs/dbraw/zinc/19/37/54/134193754.db2.gz	KCSLELCHEIMQPR-UTLUCORTSA-N	0	1	238.287	0.946	20	30		BCEDMN
CCOC(=O)C(C)(C)NC(=O)C(C)C#N	ZINC000360117759	134198692	/nfs/dbraw/zinc/19/86/92/134198692.db2.gz	FPIDARQNZJOTEP-SSDOTTSWSA-N	0	1	212.249	0.604	20	30		BCEDMN
C=CCOCC[N@@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000395119185	357413138	/nfs/dbraw/zinc/41/31/38/357413138.db2.gz	FXLSUEAWMCIUNH-LLVKDONJSA-N	0	1	213.277	0.986	20	30		BCEDMN
C=CCNC(=O)CN1CCC(CC#N)CC1	ZINC000397134320	357504966	/nfs/dbraw/zinc/50/49/66/357504966.db2.gz	XSWFCTJUUOBDBV-UHFFFAOYSA-N	0	1	221.304	0.914	20	30		BCEDMN
N#Cc1cccc(NCc2nnc[nH]2)n1	ZINC000081595628	538848364	/nfs/dbraw/zinc/84/83/64/538848364.db2.gz	IIPSIHXYRFOIES-UHFFFAOYSA-N	0	1	200.205	0.683	20	30		BCEDMN
N#CCSCC(=O)N1CCN2CCC1CC2	ZINC000188654671	357571018	/nfs/dbraw/zinc/57/10/18/357571018.db2.gz	TTXPPZKFRSCIIV-UHFFFAOYSA-N	0	1	239.344	0.550	20	30		BCEDMN
CC[C@](C)(C#N)C(=O)N[C@H](C)c1nnc[nH]1	ZINC000230418100	357524187	/nfs/dbraw/zinc/52/41/87/357524187.db2.gz	JRZLRIYFRNBQLI-GMSGAONNSA-N	0	1	221.264	0.922	20	30		BCEDMN
C[C@@H](O)CN(C)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000361505388	134205953	/nfs/dbraw/zinc/20/59/53/134205953.db2.gz	OCNJAHIZVATKMO-NXEZZACHSA-N	0	1	239.319	0.250	20	30		BCEDMN
CC#CCCNC(=O)N[C@H](C)c1nnc[nH]1	ZINC000361648140	134207131	/nfs/dbraw/zinc/20/71/31/134207131.db2.gz	ODLLWJCJXQKRMR-MRVPVSSYSA-N	0	1	221.264	0.578	20	30		BCEDMN
C[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@H]1CO	ZINC000190855870	357728012	/nfs/dbraw/zinc/72/80/12/357728012.db2.gz	FPUAYTCQANULEY-WOPDTQHZSA-N	0	1	221.304	0.990	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)c1ccccn1	ZINC000610429403	357924720	/nfs/dbraw/zinc/92/47/20/357924720.db2.gz	KVWHUBHFDUXXHU-SCZZXKLOSA-N	0	1	247.254	0.572	20	30		BCEDMN
COC(=O)[C@@H](NC(=O)C(C)C#N)c1ccccn1	ZINC000610429405	357924752	/nfs/dbraw/zinc/92/47/52/357924752.db2.gz	KVWHUBHFDUXXHU-WPRPVWTQSA-N	0	1	247.254	0.572	20	30		BCEDMN
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CCc1nc(NC(=O)c2ccnc(C#N)c2)n[nH]1	ZINC000193560545	358234118	/nfs/dbraw/zinc/23/41/18/358234118.db2.gz	CIVWSCMTURSEKF-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CCc1n[nH]c(NC(=O)c2ccnc(C#N)c2)n1	ZINC000193560545	358234120	/nfs/dbraw/zinc/23/41/20/358234120.db2.gz	CIVWSCMTURSEKF-UHFFFAOYSA-N	0	1	242.242	0.886	20	30		BCEDMN
CCOC[C@H](C(=O)OC)N(C)C(=O)C(C)C#N	ZINC000610943097	358249144	/nfs/dbraw/zinc/24/91/44/358249144.db2.gz	XYMIWZIXMBNKDM-DTWKUNHWSA-N	0	1	242.275	0.183	20	30		BCEDMN
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COC[C@H](O)CN(CCC#N)CC1CC1	ZINC000127317944	358561378	/nfs/dbraw/zinc/56/13/78/358561378.db2.gz	ZLLOMCUJZCBKNF-LLVKDONJSA-N	0	1	212.293	0.619	20	30		BCEDMN
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1nnc[nH]1	ZINC000174551243	134282648	/nfs/dbraw/zinc/28/26/48/134282648.db2.gz	XFFKEFSZEYUAGW-BDAKNGLRSA-N	0	1	238.291	0.963	20	30		BCEDMN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H](C)O	ZINC000051821616	358764220	/nfs/dbraw/zinc/76/42/20/358764220.db2.gz	OCVOQOFVDRGTNF-ZYHUDNBSSA-N	0	1	241.335	0.353	20	30		BCEDMN
C[C@@H](C(=O)NC1(C#N)CCSCC1)N(C)C	ZINC000611118950	358769119	/nfs/dbraw/zinc/76/91/19/358769119.db2.gz	YFBRQBKHZFRHKT-VIFPVBQESA-N	0	1	241.360	0.842	20	30		BCEDMN
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C=CCNC(=O)NCCCCN1CCOCC1	ZINC000060908800	358930095	/nfs/dbraw/zinc/93/00/95/358930095.db2.gz	YQZQEFCCMUEYQA-UHFFFAOYSA-N	0	1	241.335	0.584	20	30		BCEDMN
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C[C@H]1[C@H](C)N(c2ccc(C#N)nn2)CCN1C	ZINC000611299087	359304361	/nfs/dbraw/zinc/30/43/61/359304361.db2.gz	NALMGINEPTZXEQ-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
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CCOC(=O)CC[C@H](O)CNC[C@H](C)C#N	ZINC000580434585	359546129	/nfs/dbraw/zinc/54/61/29/359546129.db2.gz	BKVOUZWHLMWIDT-ZJUUUORDSA-N	0	1	228.292	0.440	20	30		BCEDMN
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C=CCOc1ccccc1CNC[C@@H](O)CO	ZINC000090282480	360068070	/nfs/dbraw/zinc/06/80/70/360068070.db2.gz	QIVVLDSJUGMBJI-GFCCVEGCSA-N	0	1	237.299	0.694	20	30		BCEDMN
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CC#CCNC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000613121664	360385269	/nfs/dbraw/zinc/38/52/69/360385269.db2.gz	JLHHAJLAZIKHFS-MRVPVSSYSA-N	0	1	218.260	0.364	20	30		BCEDMN
C=C[C@H](O)C(=O)N[C@H](C)c1n[nH]c(CC)n1	ZINC000613124207	360393851	/nfs/dbraw/zinc/39/38/51/360393851.db2.gz	PTWUQRNCDHCJFD-RQJHMYQMSA-N	0	1	224.264	0.091	20	30		BCEDMN
C=C[C@H](O)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000613149029	360448529	/nfs/dbraw/zinc/44/85/29/360448529.db2.gz	OTEUKPUENIHHJA-VWYCJHECSA-N	0	1	226.320	0.474	20	30		BCEDMN
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CCN(CCC#N)C(=O)[C@H]1CCCN1C	ZINC000428485186	201025165	/nfs/dbraw/zinc/02/51/65/201025165.db2.gz	SYUJGIKVYZKHCD-SNVBAGLBSA-N	0	1	209.293	0.843	20	30		BCEDMN
Cc1nc(CN(CCC#N)CCC#N)n[nH]1	ZINC000428308882	201008574	/nfs/dbraw/zinc/00/85/74/201008574.db2.gz	JFZNCYFCBUBKDJ-UHFFFAOYSA-N	0	1	218.264	0.742	20	30		BCEDMN
C[C@H]1COCCN1C1CCN(CC#N)CC1	ZINC000579310776	366756896	/nfs/dbraw/zinc/75/68/96/366756896.db2.gz	WHYVHKYBQKNAKH-NSHDSACASA-N	0	1	223.320	0.695	20	30		BCEDMN
C=CCCNCc1cn(C[C@H]2CCOC2)nn1	ZINC000631173267	361706315	/nfs/dbraw/zinc/70/63/15/361706315.db2.gz	PDMRWXMRFYZHHS-LLVKDONJSA-N	0	1	236.319	0.980	20	30		BCEDMN
N#CCN1CCC(N2CCOCC2)CC1	ZINC000115820754	370696936	/nfs/dbraw/zinc/69/69/36/370696936.db2.gz	GKUILAKBBLDHAX-UHFFFAOYSA-N	0	1	209.293	0.307	20	30		BCEDMN
N#Cc1ccc([N+](=O)[O-])c(NCc2nn[nH]n2)c1	ZINC000130663598	363923846	/nfs/dbraw/zinc/92/38/46/363923846.db2.gz	IPOZFVGSQYOTQT-UHFFFAOYSA-N	0	1	245.202	0.592	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000614796077	363974601	/nfs/dbraw/zinc/97/46/01/363974601.db2.gz	VIRUGUOKWDMHFG-WKEGUHRASA-N	0	1	224.264	0.227	20	30		BCEDMN
CC1(C)CN(CCC#N)CC[N@H+]1CCO	ZINC000614920152	364091379	/nfs/dbraw/zinc/09/13/79/364091379.db2.gz	FKVZQDBHTKKLHQ-UHFFFAOYSA-N	0	1	211.309	0.289	20	30		BCEDMN
C[C@@H](C#N)C(=O)NCCN1CC=CCC1	ZINC000357645351	366861683	/nfs/dbraw/zinc/86/16/83/366861683.db2.gz	FGALDFUGOTVHPU-JTQLQIEISA-N	0	1	207.277	0.524	20	30		BCEDMN
C=CCN(CC(F)(F)F)C(=O)Cc1ncn[nH]1	ZINC000630852579	364602934	/nfs/dbraw/zinc/60/29/34/364602934.db2.gz	VHEXUSMQNSTHQL-UHFFFAOYSA-N	0	1	248.208	0.924	20	30		BCEDMN
CC(C)OC[C@H](O)CNCC1(C#N)CC1	ZINC000573558047	364860332	/nfs/dbraw/zinc/86/03/32/364860332.db2.gz	NUVLDTPDYMYXSX-SNVBAGLBSA-N	0	1	212.293	0.666	20	30		BCEDMN
C[C@H](NC(=O)[C@]1(O)CCSC1)c1nnc[nH]1	ZINC000328941229	541398775	/nfs/dbraw/zinc/39/87/75/541398775.db2.gz	FFYSHTHUKLKTKM-RCOVLWMOSA-N	0	1	242.304	0.690	20	30		BCEDMN
CC[C@H](CC#N)NCCN1CCO[C@@H](C)C1	ZINC000575759420	365357156	/nfs/dbraw/zinc/35/71/56/365357156.db2.gz	SUVWGVMLCPQMMT-NWDGAFQWSA-N	0	1	225.336	0.989	20	30		BCEDMN
CC1(C)COCCN1CCNCCC#N	ZINC000575862086	365389057	/nfs/dbraw/zinc/38/90/57/365389057.db2.gz	SKSCPVLCWPJOEJ-UHFFFAOYSA-N	0	1	211.309	0.600	20	30		BCEDMN
CC(=O)N1CCC[N@@H+](CCOCCC#N)CC1	ZINC000338882084	365440797	/nfs/dbraw/zinc/44/07/97/365440797.db2.gz	JCRBNKXJFQOUHQ-UHFFFAOYSA-N	0	1	239.319	0.471	20	30		BCEDMN
CC(=O)N1CCCN(CCOCCC#N)CC1	ZINC000338882084	365440808	/nfs/dbraw/zinc/44/08/08/365440808.db2.gz	JCRBNKXJFQOUHQ-UHFFFAOYSA-N	0	1	239.319	0.471	20	30		BCEDMN
N#CCCOCCN1CCC[C@H]2C(=O)NC[C@H]21	ZINC000339154720	365451498	/nfs/dbraw/zinc/45/14/98/365451498.db2.gz	LHDUCDVWFZRSPH-GHMZBOCLSA-N	0	1	237.303	0.127	20	30		BCEDMN
CCCN(CCOCCC#N)CC(N)=O	ZINC000339210449	365452542	/nfs/dbraw/zinc/45/25/42/365452542.db2.gz	CKBUHHKUPAMQRR-UHFFFAOYSA-N	0	1	213.281	0.114	20	30		BCEDMN
C=CC[C@@H](CO)NC[C@H](C#N)CCC#N	ZINC000576040806	365459444	/nfs/dbraw/zinc/45/94/44/365459444.db2.gz	ULIHUZFHJSAFFW-QWRGUYRKSA-N	0	1	207.277	0.957	20	30		BCEDMN
CSc1nc(=O)n(Cc2ccnc(C#N)c2)[nH]1	ZINC000619460445	541483841	/nfs/dbraw/zinc/48/38/41/541483841.db2.gz	JIKWSNXEZCEUMT-UHFFFAOYSA-N	0	1	247.283	0.608	20	30		BCEDMN
CC(C)COC[C@H](O)CN[C@@H](C)CC#N	ZINC000068610835	370821128	/nfs/dbraw/zinc/82/11/28/370821128.db2.gz	AUPFGBDRYMINBT-WDEREUQCSA-N	0	1	214.309	0.912	20	30		BCEDMN
Cc1nc(C(=O)N2CCNC[C@@H]2C)ccc1C#N	ZINC000580900367	367201832	/nfs/dbraw/zinc/20/18/32/367201832.db2.gz	SOVUVJKNKZZHAZ-VIFPVBQESA-N	0	1	244.298	0.696	20	30		BCEDMN
CC[C@H](CC#N)NC[C@@H](O)COCCOC	ZINC000581140446	367275132	/nfs/dbraw/zinc/27/51/32/367275132.db2.gz	MOVCDVOKEPHGND-GHMZBOCLSA-N	0	1	230.308	0.292	20	30		BCEDMN
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C#CCN1CCC[C@@H](N2CCOCC2)C1	ZINC000382501985	367530836	/nfs/dbraw/zinc/53/08/36/367530836.db2.gz	SKMZMMZMVQADIR-GFCCVEGCSA-N	0	1	208.305	0.416	20	30		BCEDMN
C=C1CCN(C(=O)C[C@@H]2COCCN2)CC1	ZINC000382602221	367548762	/nfs/dbraw/zinc/54/87/62/367548762.db2.gz	STSAUIYEAOVTQB-LLVKDONJSA-N	0	1	224.304	0.544	20	30		BCEDMN
C=C(C)CN(CC)C(=O)CN1C[C@@H](O)C[C@@H]1C	ZINC000384958741	367765350	/nfs/dbraw/zinc/76/53/50/367765350.db2.gz	RHXMETOKUWNMPO-RYUDHWBXSA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@]1(O)CCN(Cc2ccc(C#N)cn2)C1	ZINC000581733750	367796547	/nfs/dbraw/zinc/79/65/47/367796547.db2.gz	ABXCMEPSZAZGRO-LBPRGKRZSA-N	0	1	217.272	0.910	20	30		BCEDMN
C[C@H](C(=O)N(C)CCC#N)N(C)CCCO	ZINC000440942159	201527087	/nfs/dbraw/zinc/52/70/87/201527087.db2.gz	TXAGTMMHEQWASI-SNVBAGLBSA-N	0	1	227.308	0.061	20	30		BCEDMN
CN1CCC[C@@H]1C(=O)N1CC[C@](F)(C#N)C1	ZINC000615593859	368125164	/nfs/dbraw/zinc/12/51/64/368125164.db2.gz	GFMWUMGPZGPUON-KOLCDFICSA-N	0	1	225.267	0.545	20	30		BCEDMN
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CN(CCC(N)=O)Cc1cccc(C#N)n1	ZINC000602657011	369834839	/nfs/dbraw/zinc/83/48/39/369834839.db2.gz	WGIGZTOJWRTJNK-UHFFFAOYSA-N	0	1	218.260	0.260	20	30		BCEDMN
N#Cc1ncn(CCNCc2ccns2)n1	ZINC000602654523	369835310	/nfs/dbraw/zinc/83/53/10/369835310.db2.gz	MTWPBVUAQOYLSG-UHFFFAOYSA-N	0	1	234.288	0.396	20	30		BCEDMN
CCN(CCO)Cc1cccc(C#N)n1	ZINC000602429562	369786808	/nfs/dbraw/zinc/78/68/08/369786808.db2.gz	PRPAZGVUALTTNM-UHFFFAOYSA-N	0	1	205.261	0.767	20	30		BCEDMN
CN(Cc1cccc(C#N)n1)CC(C)(CO)CO	ZINC000602472036	369793123	/nfs/dbraw/zinc/79/31/23/369793123.db2.gz	FUGUKWKIQATYIQ-UHFFFAOYSA-N	0	1	249.314	0.376	20	30		BCEDMN
N#Cc1cccc(CNCCOCCO)n1	ZINC000602499237	369795979	/nfs/dbraw/zinc/79/59/79/369795979.db2.gz	PXUWKVJTFOGHDN-UHFFFAOYSA-N	0	1	221.260	0.052	20	30		BCEDMN
C[C@@H](O)C1(NCc2cccc(C#N)n2)CC1	ZINC000602718915	369847391	/nfs/dbraw/zinc/84/73/91/369847391.db2.gz	SZMYBCIVWCDTBO-SECBINFHSA-N	0	1	217.272	0.956	20	30		BCEDMN
C[C@@]1(CO)C[C@@H](O)CN1Cc1ccnc(C#N)c1	ZINC000602895616	369861299	/nfs/dbraw/zinc/86/12/99/369861299.db2.gz	BEEMCKXLQAALTJ-OLZOCXBDSA-N	0	1	247.298	0.271	20	30		BCEDMN
CNC(=O)[C@H]1CCN(Cc2cccc(C#N)n2)C1	ZINC000602697699	369843009	/nfs/dbraw/zinc/84/30/09/369843009.db2.gz	LIHRCFKTVNMMLE-JTQLQIEISA-N	0	1	244.298	0.521	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1[nH]nc2c1CCCC2	ZINC000620590144	369940677	/nfs/dbraw/zinc/94/06/77/369940677.db2.gz	KVNAOICDPZXAEA-MRVPVSSYSA-N	0	1	235.287	0.565	20	30		BCEDMN
N#Cc1ccnc(NCCc2nc[nH]n2)c1	ZINC000070646485	371050033	/nfs/dbraw/zinc/05/00/33/371050033.db2.gz	FYPNCGKOAFOKEY-UHFFFAOYSA-N	0	1	214.232	0.726	20	30		BCEDMN
CC(C)(CCC#N)C[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000093496951	371176546	/nfs/dbraw/zinc/17/65/46/371176546.db2.gz	OEVPXQLVFIDOHL-AOOOYVTPSA-N	0	1	212.293	0.354	20	30		BCEDMN
N#Cc1c[nH]c(C(=O)NCCN2CC=CCC2)c1	ZINC000279766355	371288364	/nfs/dbraw/zinc/28/83/64/371288364.db2.gz	BAFWDRJYVDGCQX-UHFFFAOYSA-N	0	1	244.298	0.878	20	30		BCEDMN
CC1(C#N)CN(C(=O)CCc2cnc[nH]2)C1	ZINC000281750900	371397856	/nfs/dbraw/zinc/39/78/56/371397856.db2.gz	JTUQIHJVAOWMDI-UHFFFAOYSA-N	0	1	218.260	0.714	20	30		BCEDMN
CCc1nc(CNC(=O)[C@H](C#N)CC)n[nH]1	ZINC000392664968	371432173	/nfs/dbraw/zinc/43/21/73/371432173.db2.gz	XBCBWDABXCEUSK-ZETCQYMHSA-N	0	1	221.264	0.533	20	30		BCEDMN
C=CCC1(CNc2nc(N)nc(N)[nH+]2)CCCC1	ZINC000624259582	371446327	/nfs/dbraw/zinc/44/63/27/371446327.db2.gz	QLLCEEZQCHXBLA-UHFFFAOYSA-N	0	1	248.334	0.667	20	30		BCEDMN
C=CCCOCC(=O)N1CCc2nc[nH]c2C1	ZINC000627366815	371583993	/nfs/dbraw/zinc/58/39/93/371583993.db2.gz	CUOCAEFJIHHDBE-UHFFFAOYSA-N	0	1	235.287	0.887	20	30		BCEDMN
C=C[C@](C)(O)CC(=O)N1CCc2nc[nH]c2C1	ZINC000627370898	371588850	/nfs/dbraw/zinc/58/88/50/371588850.db2.gz	PRZLSPUZMJQSOO-LBPRGKRZSA-N	0	1	235.287	0.622	20	30		BCEDMN
C=CCCCN(C)C(=O)CCc1nn[nH]n1	ZINC000631393392	372334209	/nfs/dbraw/zinc/33/42/09/372334209.db2.gz	MXSUNRDCKDUGMY-UHFFFAOYSA-N	0	1	223.280	0.557	20	30		BCEDMN
C=C1CC(C)(C(=O)NCc2c[nH]nn2)C1	ZINC000631606928	372456671	/nfs/dbraw/zinc/45/66/71/372456671.db2.gz	ZMFZVBSRWHZMPA-UHFFFAOYSA-N	0	1	206.249	0.777	20	30		BCEDMN
C=CCN(C(=O)CCc1nn[n-]n1)C1CC1	ZINC000632287190	372865337	/nfs/dbraw/zinc/86/53/37/372865337.db2.gz	XXILEGJUVVVRTK-UHFFFAOYSA-N	0	1	221.264	0.309	20	30		BCEDMN
C=CCN(C(=O)CCc1nn[nH]n1)C1CC1	ZINC000632287190	372865345	/nfs/dbraw/zinc/86/53/45/372865345.db2.gz	XXILEGJUVVVRTK-UHFFFAOYSA-N	0	1	221.264	0.309	20	30		BCEDMN
C=CC[C@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1	ZINC000632591392	373024102	/nfs/dbraw/zinc/02/41/02/373024102.db2.gz	VNQDCWDFQJBYNL-VIFPVBQESA-N	0	1	241.316	0.996	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CCc1c[nH]nn1	ZINC000633357232	373491418	/nfs/dbraw/zinc/49/14/18/373491418.db2.gz	LJFKIHWEYNVQJL-JTQLQIEISA-N	0	1	238.291	0.181	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CCc1cnn[nH]1	ZINC000633357232	373491423	/nfs/dbraw/zinc/49/14/23/373491423.db2.gz	LJFKIHWEYNVQJL-JTQLQIEISA-N	0	1	238.291	0.181	20	30		BCEDMN
C#CCN(C)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000191013829	259570445	/nfs/dbraw/zinc/57/04/45/259570445.db2.gz	CNOWEVZIOPJKOR-VIFPVBQESA-N	0	1	217.272	0.921	20	30		BCEDMN
CCOC(=O)COCCN[C@H]1CCC[C@@H]1C#N	ZINC000459492119	206130329	/nfs/dbraw/zinc/13/03/29/206130329.db2.gz	ZSOGHSSXYBZQCN-MNOVXSKESA-N	0	1	240.303	0.848	20	30		BCEDMN
C#CCCCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000192142554	533019233	/nfs/dbraw/zinc/01/92/33/533019233.db2.gz	MYNJCMLCDCITMQ-QMMMGPOBSA-N	0	1	206.249	0.785	20	30		BCEDMN
CN(C)C1CN(C(=O)c2cccc(C#N)c2)C1	ZINC000158382436	383903139	/nfs/dbraw/zinc/90/31/39/383903139.db2.gz	YFGGSBFOESUZSL-UHFFFAOYSA-N	0	1	229.283	0.944	20	30		BCEDMN
CN(Cc1ccc(C#N)cc1)[C@@H]1COC[C@H]1O	ZINC000285546080	383952519	/nfs/dbraw/zinc/95/25/19/383952519.db2.gz	LZDRHGQMPHDWCR-CHWSQXEVSA-N	0	1	232.283	0.750	20	30		BCEDMN
C[C@@H](NC(=O)c1cc(C#N)ccn1)c1nnc[nH]1	ZINC000339363340	383971110	/nfs/dbraw/zinc/97/11/10/383971110.db2.gz	SBSIHUJLHFGALK-SSDOTTSWSA-N	0	1	242.242	0.562	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NOCC(C)(C)O	ZINC000298855717	384023704	/nfs/dbraw/zinc/02/37/04/384023704.db2.gz	FQTOPZNJJKMUDI-NXEZZACHSA-N	0	1	243.303	0.786	20	30		BCEDMN
C=CCNC(=O)CN(CC)CCC(=O)OC	ZINC000050053337	384100717	/nfs/dbraw/zinc/10/07/17/384100717.db2.gz	YRBNVLVZGMZZKE-UHFFFAOYSA-N	0	1	228.292	0.174	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCO[C@H]2CCN(C)C[C@H]21	ZINC000332669897	384108453	/nfs/dbraw/zinc/10/84/53/384108453.db2.gz	BKALOHKMWCCZPR-MXWKQRLJSA-N	0	1	237.303	0.078	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21	ZINC000332669920	384108760	/nfs/dbraw/zinc/10/87/60/384108760.db2.gz	BKALOHKMWCCZPR-VWYCJHECSA-N	0	1	237.303	0.078	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CC)CC1	ZINC000299168933	384122261	/nfs/dbraw/zinc/12/22/61/384122261.db2.gz	VVEVEOXUFURQLR-UHFFFAOYSA-N	0	1	208.305	0.810	20	30		BCEDMN
C#CCCCN1CCOC[C@H]1CC(=O)OC	ZINC000367806670	533036716	/nfs/dbraw/zinc/03/67/16/533036716.db2.gz	QKYQXWNSNUAZFN-LLVKDONJSA-N	0	1	225.288	0.664	20	30		BCEDMN
CCN1CCC[C@H](NS(=O)(=O)CCC#N)C1	ZINC000408459685	384209282	/nfs/dbraw/zinc/20/92/82/384209282.db2.gz	YRIXNZMFBBGZOQ-JTQLQIEISA-N	0	1	245.348	0.304	20	30		BCEDMN
N#Cc1csc(CNC[C@@]2(O)CCOC2)n1	ZINC000336699905	384254992	/nfs/dbraw/zinc/25/49/92/384254992.db2.gz	NDXONIQAAMZXMN-JTQLQIEISA-N	0	1	239.300	0.256	20	30		BCEDMN
C[C@H]1COCCN1CCC(=O)N(C)CCC#N	ZINC000035775909	384315657	/nfs/dbraw/zinc/31/56/57/384315657.db2.gz	IWCXXQOELPKUEC-NSHDSACASA-N	0	1	239.319	0.469	20	30		BCEDMN
CN1C(=O)N[C@@H]2CN(CCCC#N)CC[C@@H]21	ZINC000408040823	384358805	/nfs/dbraw/zinc/35/88/05/384358805.db2.gz	JPICJNDOUZVPSA-ZJUUUORDSA-N	0	1	222.292	0.388	20	30		BCEDMN
C[C@H]1CN(CCCSCC#N)C[C@@H](CO)O1	ZINC000248892371	384402903	/nfs/dbraw/zinc/40/29/03/384402903.db2.gz	ZFTRATKODZGJSO-QWRGUYRKSA-N	0	1	244.360	0.715	20	30		BCEDMN
Cc1nnc(SCC(=O)N(C)CCC#N)[nH]1	ZINC000014115728	384384524	/nfs/dbraw/zinc/38/45/24/384384524.db2.gz	HHWJLDJFHVLCPD-UHFFFAOYSA-N	0	1	239.304	0.577	20	30		BCEDMN
Cc1n[nH]c(SCC(=O)N(C)CCC#N)n1	ZINC000014115728	384384531	/nfs/dbraw/zinc/38/45/31/384384531.db2.gz	HHWJLDJFHVLCPD-UHFFFAOYSA-N	0	1	239.304	0.577	20	30		BCEDMN
COc1ccccc1[C@@H](C)NCC(=O)NCC#N	ZINC000149305077	384474440	/nfs/dbraw/zinc/47/44/40/384474440.db2.gz	RQJYXPULVIIEBL-SNVBAGLBSA-N	0	1	247.298	0.986	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(F)C2)CC1	ZINC000490951383	384542645	/nfs/dbraw/zinc/54/26/45/384542645.db2.gz	XMBJUKREGJNHFL-UHFFFAOYSA-N	0	1	224.279	0.512	20	30		BCEDMN
Cc1[nH]ncc1CNc1cnc(C#N)cn1	ZINC000070581258	384587562	/nfs/dbraw/zinc/58/75/62/384587562.db2.gz	RVMNRIXCZHFDIE-UHFFFAOYSA-N	0	1	214.232	0.992	20	30		BCEDMN
C=CCCCN1CCN(CC(N)=O)CC1	ZINC000117874910	384610498	/nfs/dbraw/zinc/61/04/98/384610498.db2.gz	ZXLBONADEJJGQM-UHFFFAOYSA-N	0	1	211.309	0.056	20	30		BCEDMN
CCc1nc([C@H](C)Nc2ccnc(C#N)n2)n[nH]1	ZINC000565230476	384627097	/nfs/dbraw/zinc/62/70/97/384627097.db2.gz	SBUFUYRFMMBBNU-ZETCQYMHSA-N	0	1	243.274	0.624	20	30		BCEDMN
N#C[C@H]1CCC[C@@H]1NC(=O)c1cnn[nH]1	ZINC000086558707	384661902	/nfs/dbraw/zinc/66/19/02/384661902.db2.gz	BEBXWLHKYAYXKR-RQJHMYQMSA-N	0	1	205.221	0.227	20	30		BCEDMN
C=CCCN(C)S(=O)(=O)c1ncc[nH]1	ZINC000308478831	384742660	/nfs/dbraw/zinc/74/26/60/384742660.db2.gz	KOGDNPYFADNIBA-UHFFFAOYSA-N	0	1	215.278	0.606	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)OC	ZINC000223644210	384887570	/nfs/dbraw/zinc/88/75/70/384887570.db2.gz	QBUNBFMTVYJHOW-NXEZZACHSA-N	0	1	242.319	0.418	20	30		BCEDMN
C[C@H](C#N)CNc1ncnc2nc[nH]c21	ZINC000302028570	384953800	/nfs/dbraw/zinc/95/38/00/384953800.db2.gz	BAEZOSWYNBIRLJ-ZCFIWIBFSA-N	0	1	202.221	0.924	20	30		BCEDMN
C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000635765887	384906669	/nfs/dbraw/zinc/90/66/69/384906669.db2.gz	IWJLXJGMYMDZDP-GMTAPVOTSA-N	0	1	249.314	0.814	20	30		BCEDMN
CC1(C)CN(C(=O)c2ccc(C#N)cn2)CCN1	ZINC000148051940	384936745	/nfs/dbraw/zinc/93/67/45/384936745.db2.gz	IVUWMEGRAYYPSP-UHFFFAOYSA-N	0	1	244.298	0.777	20	30		BCEDMN
CCNC(=O)CNCc1ccc(C#N)s1	ZINC000135495512	384972856	/nfs/dbraw/zinc/97/28/56/384972856.db2.gz	UFAOCEWESPGYKW-UHFFFAOYSA-N	0	1	223.301	0.845	20	30		BCEDMN
CC#CCNC(=O)NCc1n[nH]c(C(C)C)n1	ZINC000298041886	385083796	/nfs/dbraw/zinc/08/37/96/385083796.db2.gz	HWGWCIVHNSTWPD-UHFFFAOYSA-N	0	1	235.291	0.751	20	30		BCEDMN
Cn1cc(CNC[C@H](O)C(F)(F)F)cc1C#N	ZINC000236073029	385027353	/nfs/dbraw/zinc/02/73/53/385027353.db2.gz	RNSAQCPTKRCPAU-VIFPVBQESA-N	0	1	247.220	0.910	20	30		BCEDMN
N#CCC1CCN(CC(=O)N2CCC2)CC1	ZINC000334153425	385098329	/nfs/dbraw/zinc/09/83/29/385098329.db2.gz	OJQCJRJMJNDBCN-UHFFFAOYSA-N	0	1	221.304	0.844	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1	ZINC000246095996	385106765	/nfs/dbraw/zinc/10/67/65/385106765.db2.gz	IPZUHIGDBBJZOP-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCO1	ZINC000246095996	385106772	/nfs/dbraw/zinc/10/67/72/385106772.db2.gz	IPZUHIGDBBJZOP-GHMZBOCLSA-N	0	1	224.304	0.235	20	30		BCEDMN
C[C@@H](O)CN1CCN(CC2(C#N)CC2)[C@@H](C)C1	ZINC000407970209	385221404	/nfs/dbraw/zinc/22/14/04/385221404.db2.gz	ZXCMILBCUHRBFH-NWDGAFQWSA-N	0	1	237.347	0.677	20	30		BCEDMN
CC#CCCN1CC[C@@H](S(=O)(=O)NCC)C1	ZINC000157587964	385221699	/nfs/dbraw/zinc/22/16/99/385221699.db2.gz	RQTGVVLHZULHSZ-LLVKDONJSA-N	0	1	244.360	0.413	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(C#N)CC2)[C@@H](C)C1	ZINC000407970212	385221700	/nfs/dbraw/zinc/22/17/00/385221700.db2.gz	ZXCMILBCUHRBFH-RYUDHWBXSA-N	0	1	237.347	0.677	20	30		BCEDMN
N#C[C@H]1CCC[C@H]1NCCn1cncn1	ZINC000330363601	385259133	/nfs/dbraw/zinc/25/91/33/385259133.db2.gz	LLYDPRNNAFZIQM-NXEZZACHSA-N	0	1	205.265	0.560	20	30		BCEDMN
CO[C@H]1C[C@@H](C(=O)N(C)CCC#N)N(C)C1	ZINC000408029629	385445839	/nfs/dbraw/zinc/44/58/39/385445839.db2.gz	IEVGLSUNAONVMN-UWVGGRQHSA-N	0	1	225.292	0.078	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2[nH]nnc2C1	ZINC000408032991	385516107	/nfs/dbraw/zinc/51/61/07/385516107.db2.gz	GFGNDXTZAKKFCM-DTWKUNHWSA-N	0	1	247.302	0.528	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCc2nn[nH]c2C1	ZINC000408032991	385516111	/nfs/dbraw/zinc/51/61/11/385516111.db2.gz	GFGNDXTZAKKFCM-DTWKUNHWSA-N	0	1	247.302	0.528	20	30		BCEDMN
COC(=O)[C@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000564344615	385537106	/nfs/dbraw/zinc/53/71/06/385537106.db2.gz	SMWXDWGZWYMCRS-NSHDSACASA-N	0	1	245.282	0.948	20	30		BCEDMN
Cc1cnn(CCN2CC[C@@](O)(CC#N)C2)c1	ZINC000592152674	385567472	/nfs/dbraw/zinc/56/74/72/385567472.db2.gz	ZYKHCUZVEZXQRU-LBPRGKRZSA-N	0	1	234.303	0.542	20	30		BCEDMN
Cc1cc(C(=O)N2CCO[C@@H](C#N)C2)n[nH]1	ZINC000260024035	385651563	/nfs/dbraw/zinc/65/15/63/385651563.db2.gz	VWRDQISRWCGPNB-QMMMGPOBSA-N	0	1	220.232	0.083	20	30		BCEDMN
N#CCCS(=O)(=O)N1CCN2CCC[C@H]2C1	ZINC000408192769	385672927	/nfs/dbraw/zinc/67/29/27/385672927.db2.gz	PCRUTEKOFWRRQJ-JTQLQIEISA-N	0	1	243.332	0.010	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)[C@H]1CCCCN1CC	ZINC000185707170	385736061	/nfs/dbraw/zinc/73/60/61/385736061.db2.gz	DLYDJDPKGRQRQX-NWDGAFQWSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=CC[C@@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000185948879	385743796	/nfs/dbraw/zinc/74/37/96/385743796.db2.gz	ADDWYSVRJABPDE-LBPRGKRZSA-N	0	1	240.347	0.772	20	30		BCEDMN
C#CCNC(=O)CCNCc1oc(CC)nc1C	ZINC000491740717	385759526	/nfs/dbraw/zinc/75/95/26/385759526.db2.gz	QYXVTPJWTCWGBV-UHFFFAOYSA-N	0	1	249.314	0.775	20	30		BCEDMN
C[C@H](C[S@](C)=O)N(C)CCCC#N	ZINC000185115587	385719873	/nfs/dbraw/zinc/71/98/73/385719873.db2.gz	UNPHTEVXSQXVJS-RNCFNFMXSA-N	0	1	202.323	0.989	20	30		BCEDMN
CN(C(=O)[C@H]1CNCCO1)[C@@H]1CCC[C@H]1C#N	ZINC000602597356	385809061	/nfs/dbraw/zinc/80/90/61/385809061.db2.gz	BDUSNMZDZFZISW-HBNTYKKESA-N	0	1	237.303	0.125	20	30		BCEDMN
C[C@@H]1CN(CCn2ccnc2)C[C@@H](C)N1CC#N	ZINC000602854191	385828190	/nfs/dbraw/zinc/82/81/90/385828190.db2.gz	NXHIZNLEJUYHKU-CHWSQXEVSA-N	0	1	247.346	0.801	20	30		BCEDMN
C#CCN1CCC(C2N=NC(=O)N2CC)CC1	ZINC000378254741	533149533	/nfs/dbraw/zinc/14/95/33/533149533.db2.gz	VGPCGOZUTSVDMN-UHFFFAOYSA-N	0	1	234.303	0.816	20	30		BCEDMN
C=C(C)[C@@H](CO)N1C[C@H](CO)OC(C)(C)C1	ZINC000643253315	385987036	/nfs/dbraw/zinc/98/70/36/385987036.db2.gz	JKWIKOQRCHNWBQ-GHMZBOCLSA-N	0	1	229.320	0.395	20	30		BCEDMN
COCCS(=O)(=O)Nc1cccc(C#N)n1	ZINC000569485756	385992576	/nfs/dbraw/zinc/99/25/76/385992576.db2.gz	YDVDDXQERVADNN-UHFFFAOYSA-N	0	1	241.272	0.341	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)[C@@H]1CCCN1C	ZINC000408396476	385941209	/nfs/dbraw/zinc/94/12/09/385941209.db2.gz	PNGLUPNTXSBOEH-ONGXEEELSA-N	0	1	225.292	0.125	20	30		BCEDMN
COC[C@@](C)(C#N)NC(=O)[C@H]1CCCN1C	ZINC000408396475	385943129	/nfs/dbraw/zinc/94/31/29/385943129.db2.gz	PNGLUPNTXSBOEH-MWLCHTKSSA-N	0	1	225.292	0.125	20	30		BCEDMN
Cc1nc(C(=O)N2CCNC[C@H]2C)ccc1C#N	ZINC000572419020	385954868	/nfs/dbraw/zinc/95/48/68/385954868.db2.gz	SOVUVJKNKZZHAZ-SECBINFHSA-N	0	1	244.298	0.696	20	30		BCEDMN
C=CCn1cc(CNC(=O)[C@@H]2CCCN2C)nn1	ZINC000424909897	386212238	/nfs/dbraw/zinc/21/22/38/386212238.db2.gz	WRCSFMNPHRNUKB-NSHDSACASA-N	0	1	249.318	0.175	20	30		BCEDMN
CC(C#N)C(=O)NCC(=O)OC(C)(C)C	ZINC000347081051	386241902	/nfs/dbraw/zinc/24/19/02/386241902.db2.gz	JCWVPWWUPXCTQE-SSDOTTSWSA-N	0	1	212.249	0.604	20	30		BCEDMN
C[C@H](C#N)C(=O)N1CCCN([C@H](C)CO)CC1	ZINC000347098047	386246700	/nfs/dbraw/zinc/24/67/00/386246700.db2.gz	KXEUHJLNTOGECH-GHMZBOCLSA-N	0	1	239.319	0.061	20	30		BCEDMN
C[C@@H](C#N)C(=O)N1CCCN([C@@H](C)CO)CC1	ZINC000347098049	386247356	/nfs/dbraw/zinc/24/73/56/386247356.db2.gz	KXEUHJLNTOGECH-QWRGUYRKSA-N	0	1	239.319	0.061	20	30		BCEDMN
C=C(C)C[N@H+](C)CC(=O)NC(=O)NCC	ZINC000181264256	386347576	/nfs/dbraw/zinc/34/75/76/386347576.db2.gz	HCZYICRJOCMQNH-UHFFFAOYSA-N	0	1	213.281	0.340	20	30		BCEDMN
C=C(C)CN(C)CC(=O)NC(=O)NCC	ZINC000181264256	386347581	/nfs/dbraw/zinc/34/75/81/386347581.db2.gz	HCZYICRJOCMQNH-UHFFFAOYSA-N	0	1	213.281	0.340	20	30		BCEDMN
C#CCNC(=O)N1CCC(c2cnc[nH]2)CC1	ZINC000371923134	533166501	/nfs/dbraw/zinc/16/65/01/533166501.db2.gz	NDDKVUIXMJVWQY-UHFFFAOYSA-N	0	1	232.287	0.932	20	30		BCEDMN
C=C(CC)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1	ZINC000347545056	386447277	/nfs/dbraw/zinc/44/72/77/386447277.db2.gz	KMFQLCVQQGKTNM-JTQLQIEISA-N	0	1	232.349	0.706	20	30		BCEDMN
C=C(CC)CN1CCC[C@H](S(N)(=O)=O)C1	ZINC000347545056	386447285	/nfs/dbraw/zinc/44/72/85/386447285.db2.gz	KMFQLCVQQGKTNM-JTQLQIEISA-N	0	1	232.349	0.706	20	30		BCEDMN
Cc1nc(C)c(C#N)c(SCc2nn[nH]n2)n1	ZINC000267343166	386471664	/nfs/dbraw/zinc/47/16/64/386471664.db2.gz	ITQMMJKAUZEJCK-UHFFFAOYSA-N	0	1	247.287	0.771	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CCC(CO)CC1	ZINC000046091386	386509118	/nfs/dbraw/zinc/50/91/18/386509118.db2.gz	RXVLLOKMVWCAPM-JTQLQIEISA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCCS(=O)(=O)Nc1ccn(C)n1	ZINC000123075905	386537518	/nfs/dbraw/zinc/53/75/18/386537518.db2.gz	HWYACQIUONALEM-UHFFFAOYSA-N	0	1	215.278	0.738	20	30		BCEDMN
Cn1cc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cn1	ZINC000328791708	386627230	/nfs/dbraw/zinc/62/72/30/386627230.db2.gz	RAAUIJYEQJYWNY-SSDOTTSWSA-N	0	1	246.274	0.931	20	30		BCEDMN
Cn1cc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cn1	ZINC000328791708	386627233	/nfs/dbraw/zinc/62/72/33/386627233.db2.gz	RAAUIJYEQJYWNY-SSDOTTSWSA-N	0	1	246.274	0.931	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1	ZINC000425555650	386628852	/nfs/dbraw/zinc/62/88/52/386628852.db2.gz	YLSFHNVHZGIDBN-UWVGGRQHSA-N	0	1	249.318	0.285	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N1CC[C@H](c2nnc[nH]2)C1	ZINC000425555650	386628859	/nfs/dbraw/zinc/62/88/59/386628859.db2.gz	YLSFHNVHZGIDBN-UWVGGRQHSA-N	0	1	249.318	0.285	20	30		BCEDMN
C[C@H](NC(=O)NCCN1CCC1)[C@@H]1CCOC1	ZINC000328699628	386613809	/nfs/dbraw/zinc/61/38/09/386613809.db2.gz	IGQGMGJJAMOSJE-WDEREUQCSA-N	0	1	241.335	0.621	20	30		BCEDMN
O=C(NCC[C@H](O)C(F)(F)F)c1cnn[nH]1	ZINC000330395944	386699966	/nfs/dbraw/zinc/69/99/66/386699966.db2.gz	RRCATVGVTPBDHL-YFKPBYRVSA-N	0	1	238.169	0.423	20	30		BCEDMN
CSCCCNC(=O)N(C)Cc1nnc[nH]1	ZINC000330496130	386751049	/nfs/dbraw/zinc/75/10/49/386751049.db2.gz	WBNSUPGFGQZILV-UHFFFAOYSA-N	0	1	243.336	0.904	20	30		BCEDMN
COc1ccc(CNCC(=O)N(C)C)cc1C#N	ZINC000087822913	386752195	/nfs/dbraw/zinc/75/21/95/386752195.db2.gz	OFXOBSXLNZQNBW-UHFFFAOYSA-N	0	1	247.298	0.745	20	30		BCEDMN
CC[C@@H](C#N)NC(=O)CN(C)[C@H]1CCSC1	ZINC000330569386	386790813	/nfs/dbraw/zinc/79/08/13/386790813.db2.gz	MXVHNSLCPWYMNU-UWVGGRQHSA-N	0	1	241.360	0.842	20	30		BCEDMN
C[C@@H](CN1CCOCC1)C(=O)N(C)CCC#N	ZINC000330566861	386791155	/nfs/dbraw/zinc/79/11/55/386791155.db2.gz	LCYZENKHQNXAFT-NSHDSACASA-N	0	1	239.319	0.327	20	30		BCEDMN
Cc1cc(C[C@H](C)NC(=O)N(C)CCO)n[nH]1	ZINC000330574144	386793465	/nfs/dbraw/zinc/79/34/65/386793465.db2.gz	LDLGIZKMDPZULW-QMMMGPOBSA-N	0	1	240.307	0.487	20	30		BCEDMN
C=C(C)CS(=O)(=O)N[C@H](C)CN(C)C	ZINC000344895213	386795076	/nfs/dbraw/zinc/79/50/76/386795076.db2.gz	DEXGMECLINJRKL-SECBINFHSA-N	0	1	220.338	0.432	20	30		BCEDMN
C=C(C)CS(=O)(=O)N(C)Cc1nnc[nH]1	ZINC000330523069	386770470	/nfs/dbraw/zinc/77/04/70/386770470.db2.gz	OVYFEARLIKTSGI-UHFFFAOYSA-N	0	1	230.293	0.142	20	30		BCEDMN
CN(CC(=O)NCCC#N)[C@H]1CCSC1	ZINC000330526626	386773578	/nfs/dbraw/zinc/77/35/78/386773578.db2.gz	QSHOIKVYRNGMDP-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
N#CCCCCN1CCC[C@@H](S(N)(=O)=O)C1	ZINC000330656744	386813800	/nfs/dbraw/zinc/81/38/00/386813800.db2.gz	QUDFGDYZJHBSPU-SNVBAGLBSA-N	0	1	245.348	0.433	20	30		BCEDMN
C[C@H](C#N)NC(=O)CCCCc1cn[nH]n1	ZINC000330804907	386891853	/nfs/dbraw/zinc/89/18/53/386891853.db2.gz	BRCJEDDFSQFOHY-MRVPVSSYSA-N	0	1	221.264	0.546	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN1C	ZINC000330707309	386861826	/nfs/dbraw/zinc/86/18/26/386861826.db2.gz	PKFRZOZBSOPFLJ-QWRGUYRKSA-N	0	1	226.320	0.381	20	30		BCEDMN
CC#CCCNC(=O)NCc1n[nH]c(CC)n1	ZINC000458670210	386874411	/nfs/dbraw/zinc/87/44/11/386874411.db2.gz	XCOCXUXYIUQWMB-UHFFFAOYSA-N	0	1	235.291	0.580	20	30		BCEDMN
CC(C)N1CCN(C(=O)NC[C@H](C)C#N)CC1	ZINC000334863011	386917949	/nfs/dbraw/zinc/91/79/49/386917949.db2.gz	SRIIKWVUJRCNQS-LLVKDONJSA-N	0	1	238.335	0.882	20	30		BCEDMN
N#C[C@@H]1CCC[C@@H]1NCCN1C(=O)CNC1=O	ZINC000330816222	386896940	/nfs/dbraw/zinc/89/69/40/386896940.db2.gz	GFMHECPBURKLKB-IUCAKERBSA-N	0	1	236.275	0.024	20	30		BCEDMN
C=C(C)COCCNC(=O)N1CCN[C@H](C)C1	ZINC000417887384	386944138	/nfs/dbraw/zinc/94/41/38/386944138.db2.gz	KOSKAYZCCXMANN-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
CC(C)OC[C@H](O)CNC[C@H](C)C#N	ZINC000572114535	387238537	/nfs/dbraw/zinc/23/85/37/387238537.db2.gz	ZVSMDGZYWVYZRJ-NXEZZACHSA-N	0	1	200.282	0.522	20	30		BCEDMN
CC(C)[C@@H]1CN(C(=O)[C@@H](C)C#N)CCN1C	ZINC000336419586	387245404	/nfs/dbraw/zinc/24/54/04/387245404.db2.gz	NFCDNUADGQSDDY-QWRGUYRKSA-N	0	1	223.320	0.945	20	30		BCEDMN
C=CC(C)(C)C(=O)NCCc1nc[nH]n1	ZINC000572301546	387311332	/nfs/dbraw/zinc/31/13/32/387311332.db2.gz	IGXBMEUDZFIJPJ-UHFFFAOYSA-N	0	1	208.265	0.676	20	30		BCEDMN
C=CCOCC[N@H+](C)[C@@H](C)CC(=O)[O-]	ZINC000514877430	387301320	/nfs/dbraw/zinc/30/13/20/387301320.db2.gz	UXEKFBRVBXWRAZ-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
COC(=O)N1CC(NCc2cc(C#N)n(C)c2)C1	ZINC000191367011	387384253	/nfs/dbraw/zinc/38/42/53/387384253.db2.gz	XIIRAMKTCZMGRR-UHFFFAOYSA-N	0	1	248.286	0.437	20	30		BCEDMN
C=C1CCN(CCN2C(=O)CCC2=O)CC1	ZINC000264448599	387390706	/nfs/dbraw/zinc/39/07/06/387390706.db2.gz	HKRYCIJEDOFOME-UHFFFAOYSA-N	0	1	222.288	0.787	20	30		BCEDMN
C#CC[N@H+](CC)C[C@H](O)Cn1cccn1	ZINC000267310305	387409689	/nfs/dbraw/zinc/40/96/89/387409689.db2.gz	MKDNTVKEWZUHIU-NSHDSACASA-N	0	1	207.277	0.199	20	30		BCEDMN
C[C@H](CCC#N)N1CCc2nn(C)c(=O)cc2C1	ZINC000515655920	387413543	/nfs/dbraw/zinc/41/35/43/387413543.db2.gz	WPUVNOPUHGZXLQ-SNVBAGLBSA-N	0	1	246.314	0.831	20	30		BCEDMN
C[C@H]1CCN(CC(=O)N[C@H](C#N)C2CC2)C1	ZINC000515667559	387415978	/nfs/dbraw/zinc/41/59/78/387415978.db2.gz	NEEYQCMAWALSGT-GXSJLCMTSA-N	0	1	221.304	0.747	20	30		BCEDMN
Cc1n[nH]c(CCNCc2nc(C#N)cs2)n1	ZINC000352795394	387514163	/nfs/dbraw/zinc/51/41/63/387514163.db2.gz	JHWCDXSLDRAOAL-UHFFFAOYSA-N	0	1	248.315	0.774	20	30		BCEDMN
CC#CC(=O)N1CCN(CC2CC2)CC1	ZINC000277546042	387536106	/nfs/dbraw/zinc/53/61/06/387536106.db2.gz	VTBRTNJRDFZNMI-UHFFFAOYSA-N	0	1	206.289	0.564	20	30		BCEDMN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN[C@@H](C)C1	ZINC000424076485	387478952	/nfs/dbraw/zinc/47/89/52/387478952.db2.gz	MBVZZBLVJWNLDU-TUAOUCFPSA-N	0	1	238.331	0.788	20	30		BCEDMN
C=CCOc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1	ZINC000278390270	387553530	/nfs/dbraw/zinc/55/35/30/387553530.db2.gz	MWKGZOZEONFCNH-KBPBESRZSA-N	0	1	249.310	0.789	20	30		BCEDMN
Cc1cc(N[C@@H](C)c2nnc[nH]2)c(C#N)cn1	ZINC000399494951	387750538	/nfs/dbraw/zinc/75/05/38/387750538.db2.gz	JBAKUURULRYSOY-QMMMGPOBSA-N	0	1	228.259	0.975	20	30		BCEDMN
C=CCNC(=O)CN1CCCC[C@H]1COC	ZINC000452030693	387704922	/nfs/dbraw/zinc/70/49/22/387704922.db2.gz	OIJCCSNDRXTGBM-NSHDSACASA-N	0	1	226.320	0.790	20	30		BCEDMN
N#CCC(=O)Nc1nc(-c2ccncc2)n[nH]1	ZINC000433095022	387864580	/nfs/dbraw/zinc/86/45/80/387864580.db2.gz	BQKPLKORQFWFKS-UHFFFAOYSA-N	0	1	228.215	0.719	20	30		BCEDMN
N#Cc1ccc(SCc2nn[nH]n2)nc1	ZINC000435229545	387896054	/nfs/dbraw/zinc/89/60/54/387896054.db2.gz	JEJNMCWOAKJVCL-UHFFFAOYSA-N	0	1	218.245	0.759	20	30		BCEDMN
C=CCn1cc(CNCc2[nH]ncc2C)nn1	ZINC000424177250	387887364	/nfs/dbraw/zinc/88/73/64/387887364.db2.gz	ZLTMMKXEWBUSMS-UHFFFAOYSA-N	0	1	232.291	0.785	20	30		BCEDMN
C=CCOCCCC(=O)N[C@H](C)c1nnc[nH]1	ZINC000176214870	387911615	/nfs/dbraw/zinc/91/16/15/387911615.db2.gz	KCBKZIRXSUBKGF-SECBINFHSA-N	0	1	238.291	0.965	20	30		BCEDMN
C#CCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000490893155	388258333	/nfs/dbraw/zinc/25/83/33/388258333.db2.gz	RPRYTYBAQXBCQQ-MNOVXSKESA-N	0	1	223.320	0.744	20	30		BCEDMN
C=CCCCS(=O)(=O)N[C@H]1CCN(C)C1	ZINC000489096767	388204181	/nfs/dbraw/zinc/20/41/81/388204181.db2.gz	CLVCQPYISXEONB-JTQLQIEISA-N	0	1	232.349	0.576	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC1(C)C	ZINC000489459431	388216391	/nfs/dbraw/zinc/21/63/91/388216391.db2.gz	SZXJIUAZMDYWJK-SECBINFHSA-N	0	1	239.319	0.729	20	30		BCEDMN
C=CCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000646331513	388237777	/nfs/dbraw/zinc/23/77/77/388237777.db2.gz	VBBBSBRUNJPHOR-TXEJJXNPSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)COCC	ZINC000490616916	388242593	/nfs/dbraw/zinc/24/25/93/388242593.db2.gz	MGUCFPCVLJZPHV-LLVKDONJSA-N	0	1	225.288	0.664	20	30		BCEDMN
C#CCN1CCC[C@@H]1COC(=O)c1ccnn1C	ZINC000490614531	388242954	/nfs/dbraw/zinc/24/29/54/388242954.db2.gz	AESPJYHJGTYXNZ-LLVKDONJSA-N	0	1	247.298	0.675	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(O)(CC)CC1	ZINC000490691757	388247603	/nfs/dbraw/zinc/24/76/03/388247603.db2.gz	XKIPUMSHGNLPME-LLVKDONJSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCN1C[C@H](C(=O)OCC)C2(COC2)C1	ZINC000491255148	388280997	/nfs/dbraw/zinc/28/09/97/388280997.db2.gz	WESBIAKBVYTQBG-SNVBAGLBSA-N	0	1	223.272	0.131	20	30		BCEDMN
C#CCN1CCC(C(=O)O[C@@H]2CCOC2)CC1	ZINC000491295853	388283357	/nfs/dbraw/zinc/28/33/57/388283357.db2.gz	JGCVEBRKKPEWET-GFCCVEGCSA-N	0	1	237.299	0.664	20	30		BCEDMN
C#CCN1CCC(C(=O)O[C@H]2CCOC2)CC1	ZINC000491295854	388283627	/nfs/dbraw/zinc/28/36/27/388283627.db2.gz	JGCVEBRKKPEWET-LBPRGKRZSA-N	0	1	237.299	0.664	20	30		BCEDMN
C#C[C@H]1COCCN1Cc1n[nH]c(CC)n1	ZINC000491338943	388286381	/nfs/dbraw/zinc/28/63/81/388286381.db2.gz	MQPOACLLLPFJKT-VIFPVBQESA-N	0	1	220.276	0.201	20	30		BCEDMN
C#CCN(CCCS(=O)(=O)N(C)C)C1CC1	ZINC000491351393	388287589	/nfs/dbraw/zinc/28/75/89/388287589.db2.gz	TZVKONQNJKOCCI-UHFFFAOYSA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CCNC(=O)CCNCc1ncc(C)s1	ZINC000491385140	388290669	/nfs/dbraw/zinc/29/06/69/388290669.db2.gz	QLSADDFJRMFJRJ-UHFFFAOYSA-N	0	1	237.328	0.681	20	30		BCEDMN
C#CCN1C(=O)C[C@H](N2CCCC(C)(C)C2)C1=O	ZINC000491387679	388291369	/nfs/dbraw/zinc/29/13/69/388291369.db2.gz	YJQNILWSOAZRAN-NSHDSACASA-N	0	1	248.326	0.869	20	30		BCEDMN
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCOC1	ZINC000491442076	388295215	/nfs/dbraw/zinc/29/52/15/388295215.db2.gz	ZLZSZDACSFYMIX-ZDUSSCGKSA-N	0	1	238.331	0.484	20	30		BCEDMN
C#CCN(C)S(=O)(=O)CCN(CC)CC	ZINC000491618973	388305203	/nfs/dbraw/zinc/30/52/03/388305203.db2.gz	LVDZHWKSQAZDTR-UHFFFAOYSA-N	0	1	232.349	0.223	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)COc1ccc(C)cc1	ZINC000491628026	388306172	/nfs/dbraw/zinc/30/61/72/388306172.db2.gz	KJLDOVPIQNMCOP-QWHCGFSZSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#CCN(C)CCCNC(=O)[C@@H]1CCC(=O)C1	ZINC000491636823	388307282	/nfs/dbraw/zinc/30/72/82/388307282.db2.gz	VEOOWRGOMCOWSE-LLVKDONJSA-N	0	1	236.315	0.427	20	30		BCEDMN
C#CCNC(=O)CCNCC1(C#N)CC1	ZINC000491658185	388308812	/nfs/dbraw/zinc/30/88/12/388308812.db2.gz	VRDPDGFYBHSLAR-UHFFFAOYSA-N	0	1	205.261	0.019	20	30		BCEDMN
C#CCN1C(=O)C[C@@H](N2CCC(C)CC2)C1=O	ZINC000491672500	388309989	/nfs/dbraw/zinc/30/99/89/388309989.db2.gz	SAWDEEXJVMGQJE-LLVKDONJSA-N	0	1	234.299	0.479	20	30		BCEDMN
C#CCNC(=O)CCN1CCOCC12CCC2	ZINC000491699131	388312345	/nfs/dbraw/zinc/31/23/45/388312345.db2.gz	BFNOAGFCJJQEQG-UHFFFAOYSA-N	0	1	236.315	0.381	20	30		BCEDMN
C#C[C@@H]1COCCN1Cc1n[nH]c(C(C)(C)C)n1	ZINC000491732829	388315768	/nfs/dbraw/zinc/31/57/68/388315768.db2.gz	NKUHUCZOMNYEDN-SNVBAGLBSA-N	0	1	248.330	0.936	20	30		BCEDMN
C#CCN(CC)S(=O)(=O)CCN(CC)CC	ZINC000491737012	388316447	/nfs/dbraw/zinc/31/64/47/388316447.db2.gz	LBUMBLDAYBKKPD-UHFFFAOYSA-N	0	1	246.376	0.613	20	30		BCEDMN
C#C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC000491775717	388319730	/nfs/dbraw/zinc/31/97/30/388319730.db2.gz	VJMSXSUEYLMHDG-MNOVXSKESA-N	0	1	208.305	0.808	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)COc1ccccc1C	ZINC000491778522	388320037	/nfs/dbraw/zinc/32/00/37/388320037.db2.gz	YJMMHRVKPQZGEN-OLZOCXBDSA-N	0	1	249.310	0.318	20	30		BCEDMN
C#C[C@H](CO)NC[C@@H](O)c1cccc(Cl)c1	ZINC000491805108	388321699	/nfs/dbraw/zinc/32/16/99/388321699.db2.gz	ODAWDCVXKMVKQT-VXGBXAGGSA-N	0	1	239.702	0.957	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)NCc1cn[nH]c1C	ZINC000491807091	388322217	/nfs/dbraw/zinc/32/22/17/388322217.db2.gz	BDFICGSNVWPUBR-MRVPVSSYSA-N	0	1	220.276	0.881	20	30		BCEDMN
C#CCN(C[C@](C)(O)C(=O)OCC)C1CC1	ZINC000491817504	388323455	/nfs/dbraw/zinc/32/34/55/388323455.db2.gz	UVKDBAKYZVQZMI-LBPRGKRZSA-N	0	1	225.288	0.398	20	30		BCEDMN
C#CCN(C[C@@](C)(O)C(=O)OCC)C1CC1	ZINC000491817502	388323586	/nfs/dbraw/zinc/32/35/86/388323586.db2.gz	UVKDBAKYZVQZMI-GFCCVEGCSA-N	0	1	225.288	0.398	20	30		BCEDMN
C#CCN(CC#CC)C(=O)NCc1cn[nH]c1C	ZINC000490971403	388262824	/nfs/dbraw/zinc/26/28/24/388262824.db2.gz	BYVFLYWCUYCDMI-UHFFFAOYSA-N	0	1	244.298	0.886	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC2(CCC2)C1	ZINC000491069834	388267840	/nfs/dbraw/zinc/26/78/40/388267840.db2.gz	YVRBPPXCIKRYRI-UHFFFAOYSA-N	0	1	236.315	0.381	20	30		BCEDMN
C#CCN1CCC(C(=O)OC[C@@H](C)O)CC1	ZINC000491072988	388267950	/nfs/dbraw/zinc/26/79/50/388267950.db2.gz	WUQZTRATEIHYGO-SNVBAGLBSA-N	0	1	225.288	0.256	20	30		BCEDMN
C#CCNC(=O)CCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000491122190	388271265	/nfs/dbraw/zinc/27/12/65/388271265.db2.gz	UEMFUUDOASNPMY-TXEJJXNPSA-N	0	1	237.347	0.150	20	30		BCEDMN
C#CCNC(=O)CC[N@H+](C)Cc1cccc(C)n1	ZINC000491120813	388271375	/nfs/dbraw/zinc/27/13/75/388271375.db2.gz	NWSJTNCXSGJVRD-UHFFFAOYSA-N	0	1	245.326	0.961	20	30		BCEDMN
C#CCNC(=O)[C@@H](C)N1CCC(C)(OC)CC1	ZINC000491128029	388271823	/nfs/dbraw/zinc/27/18/23/388271823.db2.gz	YTABKDGADRFJNE-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N(CC)C[C@@H]1CCCO1	ZINC000491166903	388274539	/nfs/dbraw/zinc/27/45/39/388274539.db2.gz	VCKMCJIKZMEIFC-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000491192030	388275517	/nfs/dbraw/zinc/27/55/17/388275517.db2.gz	KHWSLOPXDXXILQ-LURJTMIESA-N	0	1	207.237	0.107	20	30		BCEDMN
C#CCNC(=O)CCN1CCOC[C@@H]1CC	ZINC000491201342	388276722	/nfs/dbraw/zinc/27/67/22/388276722.db2.gz	GSBRWWSFFIECIW-NSHDSACASA-N	0	1	224.304	0.237	20	30		BCEDMN
C#CCN(CC#N)C(=O)c1ccc2cncn2c1	ZINC000491209096	388277590	/nfs/dbraw/zinc/27/75/90/388277590.db2.gz	BRQYXXSMYFWKRV-UHFFFAOYSA-N	0	1	238.250	0.933	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](CCOC)CC(=O)[O-]	ZINC000572654072	388363579	/nfs/dbraw/zinc/36/35/79/388363579.db2.gz	XPYVNQYTAUDJCH-SNVBAGLBSA-N	0	1	231.292	0.347	20	30		BCEDMN
CC(C)=CCCn1c(=O)[nH]cc(C#N)c1=O	ZINC000594913622	388373633	/nfs/dbraw/zinc/37/36/33/388373633.db2.gz	SAZXWDHGSFFGAO-UHFFFAOYSA-N	0	1	219.244	0.765	20	30		BCEDMN
C=CCn1cc(C(=O)N[C@@H](C)c2nnc[nH]2)nn1	ZINC000648804691	388380502	/nfs/dbraw/zinc/38/05/02/388380502.db2.gz	TVZVJORFJKQFDP-ZETCQYMHSA-N	0	1	247.262	0.073	20	30		BCEDMN
N#C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CCOC1	ZINC000547811528	388485932	/nfs/dbraw/zinc/48/59/32/388485932.db2.gz	SSNUUHWKAJXPCM-LBPRGKRZSA-N	0	1	246.270	0.311	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCC[C@H](NC(=O)CC)C1	ZINC000649273267	388488386	/nfs/dbraw/zinc/48/83/86/388488386.db2.gz	VWAORZRUZYJXGW-RYUDHWBXSA-N	0	1	240.347	0.914	20	30		BCEDMN
OC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CO	ZINC000528597698	388550130	/nfs/dbraw/zinc/55/01/30/388550130.db2.gz	GETKQPWGIPEUGG-GJZGRUSLSA-N	0	1	245.322	0.571	20	30		BCEDMN
Cc1nnc(SCc2nn[nH]n2)c(C#N)c1C	ZINC000272872780	388530386	/nfs/dbraw/zinc/53/03/86/388530386.db2.gz	WWOHPZKFWOYGOH-UHFFFAOYSA-N	0	1	247.287	0.771	20	30		BCEDMN
C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)cn2)C1	ZINC000107928364	388609244	/nfs/dbraw/zinc/60/92/44/388609244.db2.gz	JLPQXNGUMXWRSM-NSHDSACASA-N	0	1	244.298	0.635	20	30		BCEDMN
C=CCCCN1CCO[C@@H](CNC(=O)NC)C1	ZINC000528621685	388552189	/nfs/dbraw/zinc/55/21/89/388552189.db2.gz	GDSYREPUEVCCHW-NSHDSACASA-N	0	1	241.335	0.582	20	30		BCEDMN
C=C(Cl)CNC1CCS(=O)(=O)CC1	ZINC000037681412	388569344	/nfs/dbraw/zinc/56/93/44/388569344.db2.gz	KESVMRZMPOPLTE-UHFFFAOYSA-N	0	1	223.725	0.906	20	30		BCEDMN
CO[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1OC	ZINC000488593315	388583198	/nfs/dbraw/zinc/58/31/98/388583198.db2.gz	SVQOLEUKFUKFHQ-CHWSQXEVSA-N	0	1	249.314	0.742	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1	ZINC000528925639	388583914	/nfs/dbraw/zinc/58/39/14/388583914.db2.gz	VXAXUQSSKRCRKM-SFKDOBOXSA-N	0	1	220.272	0.733	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CCCCO2)CC1	ZINC000189559230	388637338	/nfs/dbraw/zinc/63/73/38/388637338.db2.gz	LLYZFZGBKOEXBE-UHFFFAOYSA-N	0	1	236.315	0.886	20	30		BCEDMN
N#Cc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)o1	ZINC000447971717	388739872	/nfs/dbraw/zinc/73/98/72/388739872.db2.gz	MFLQUVJCPLATTA-RYUDHWBXSA-N	0	1	236.271	0.781	20	30		BCEDMN
C#CCN1CCC(C(=O)N(C)CCC#N)CC1	ZINC000126729064	388700733	/nfs/dbraw/zinc/70/07/33/388700733.db2.gz	XJCPNOYWFIDCJY-UHFFFAOYSA-N	0	1	233.315	0.704	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)c1cc(C#N)cn1C	ZINC000081714896	388722326	/nfs/dbraw/zinc/72/23/26/388722326.db2.gz	AHUSLEMSBFQOKO-UHFFFAOYSA-N	0	1	243.270	0.858	20	30		BCEDMN
C[C@@H]1CCN(CC(=O)N2CCOC[C@H]2C#N)C1	ZINC000553492977	388778737	/nfs/dbraw/zinc/77/87/37/388778737.db2.gz	MSDPLPGMGKZOFG-GHMZBOCLSA-N	0	1	237.303	0.079	20	30		BCEDMN
CN1CCC[C@H](N2CCC(C#N)CC2)C1=O	ZINC000539811872	388779497	/nfs/dbraw/zinc/77/94/97/388779497.db2.gz	OMRDNANEZOOGPE-NSHDSACASA-N	0	1	221.304	0.843	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H](C)c1nccs1	ZINC000129192281	388824267	/nfs/dbraw/zinc/82/42/67/388824267.db2.gz	FRZAEBXGNLCXFP-VIFPVBQESA-N	0	1	237.328	0.933	20	30		BCEDMN
C=CCNC(=O)CN[C@@H](CO)c1ccccc1C	ZINC000541053777	388838167	/nfs/dbraw/zinc/83/81/67/388838167.db2.gz	PNLQXUCWLREBKH-ZDUSSCGKSA-N	0	1	248.326	0.920	20	30		BCEDMN
C=CCNC(=O)CN[C@H](CO)c1ccccc1C	ZINC000541053775	388838442	/nfs/dbraw/zinc/83/84/42/388838442.db2.gz	PNLQXUCWLREBKH-CYBMUJFWSA-N	0	1	248.326	0.920	20	30		BCEDMN
CC#CC[C@H](CO)NC(=O)CN(CC)C1CC1	ZINC000649185084	388896594	/nfs/dbraw/zinc/89/65/94/388896594.db2.gz	XFALXIDWLZRWML-LLVKDONJSA-N	0	1	238.331	0.361	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)CCc1cnc[nH]1	ZINC000649183433	388896812	/nfs/dbraw/zinc/89/68/12/388896812.db2.gz	SUQKDMBDKPRUMI-NSHDSACASA-N	0	1	235.287	0.233	20	30		BCEDMN
CC#CC[C@@H](CO)NC(=O)Cc1cc(C)n[nH]1	ZINC000649186415	388897803	/nfs/dbraw/zinc/89/78/03/388897803.db2.gz	YSPCYXVSEMPEEY-JTQLQIEISA-N	0	1	235.287	0.151	20	30		BCEDMN
C#C[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000368196524	533230370	/nfs/dbraw/zinc/23/03/70/533230370.db2.gz	UGIKVKAAYYOSAS-RKDXNWHRSA-N	0	1	232.287	0.588	20	30		BCEDMN
CCN1CCN(c2cnc(C#N)cn2)[C@H](C)C1	ZINC000286319349	132214447	/nfs/dbraw/zinc/21/44/47/132214447.db2.gz	KUFVWSYEEOIPCX-SNVBAGLBSA-N	0	1	231.303	0.879	20	30		BCEDMN
N#Cc1cnc(N2CCN(CC3CC3)CC2)cn1	ZINC000071178879	132391873	/nfs/dbraw/zinc/39/18/73/132391873.db2.gz	IJGCRSMWUSSUOP-UHFFFAOYSA-N	0	1	243.314	0.880	20	30		BCEDMN
C[C@@H](O)CN(CC1(C#N)CC1)[C@@H](C)CO	ZINC000331789264	134002421	/nfs/dbraw/zinc/00/24/21/134002421.db2.gz	USTCQNVMIPVYBJ-VHSXEESVSA-N	0	1	212.293	0.354	20	30		BCEDMN
C=CCNC(=O)CN1C[C@@H](C)N(C)C[C@H]1C	ZINC000351928803	134009373	/nfs/dbraw/zinc/00/93/73/134009373.db2.gz	WFJWQXVUGNQCEK-GHMZBOCLSA-N	0	1	225.336	0.313	20	30		BCEDMN
N#CCNC(=O)c1cccc2nc[nH]c21	ZINC000336387465	134145741	/nfs/dbraw/zinc/14/57/41/134145741.db2.gz	ZSRJJBPEUNSNDG-UHFFFAOYSA-N	0	1	200.201	0.816	20	30		BCEDMN
C[C@@H]1CC[C@H](C)N1CC(=O)N(CC#N)CC#N	ZINC000355406788	134173206	/nfs/dbraw/zinc/17/32/06/134173206.db2.gz	ARUBDRDFTRYZKK-PHIMTYICSA-N	0	1	234.303	0.735	20	30		BCEDMN
C=C[C@H](CO)NC(=O)c1ccc2cncn2c1	ZINC000356860507	134180413	/nfs/dbraw/zinc/18/04/13/134180413.db2.gz	LRAJEUBPXTVMPW-SNVBAGLBSA-N	0	1	231.255	0.611	20	30		BCEDMN
C=CCN1CCC[C@H](CS(N)(=O)=O)C1	ZINC000358184567	134187160	/nfs/dbraw/zinc/18/71/60/134187160.db2.gz	OSBMMQZLVICOLB-VIFPVBQESA-N	0	1	218.322	0.173	20	30		BCEDMN
CCC[C@@H](NC(=O)C(C)C#N)C(=O)OC	ZINC000358801429	134192349	/nfs/dbraw/zinc/19/23/49/134192349.db2.gz	DAYZOGBGXAHNHE-HTQZYQBOSA-N	0	1	212.249	0.604	20	30		BCEDMN
C=CCN(CCOC)C(=O)[C@@H]1CCCN1C	ZINC000361079452	134203085	/nfs/dbraw/zinc/20/30/85/134203085.db2.gz	IURCPFQLNVFKII-NSHDSACASA-N	0	1	226.320	0.742	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@H]2C[C@H]2c2nc[nH]n2)=NO1	ZINC000367785278	134216232	/nfs/dbraw/zinc/21/62/32/134216232.db2.gz	QRTCBNJRUIBWDC-QYNIQEEDSA-N	0	1	235.247	0.147	20	30		BCEDMN
C#CC[C@H](C)NC(=O)[C@H]1CCc2[nH]nnc2C1	ZINC000375503893	134239542	/nfs/dbraw/zinc/23/95/42/134239542.db2.gz	AJUJMYQRZKQFES-IUCAKERBSA-N	0	1	232.287	0.438	20	30		BCEDMN
C#CC[C@H](C)NC(=O)[C@H]1CCc2nn[nH]c2C1	ZINC000375503893	134239543	/nfs/dbraw/zinc/23/95/43/134239543.db2.gz	AJUJMYQRZKQFES-IUCAKERBSA-N	0	1	232.287	0.438	20	30		BCEDMN
N#CCCCN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1	ZINC000375508284	134239678	/nfs/dbraw/zinc/23/96/78/134239678.db2.gz	AIXVRCSOVBSZIC-HTQZYQBOSA-N	0	1	249.236	0.886	20	30		BCEDMN
C[C@H](C#N)S(=O)(=O)NC[C@H](C)N(C)C1CC1	ZINC000218109263	134251404	/nfs/dbraw/zinc/25/14/04/134251404.db2.gz	PQBFFZGQIWYNRO-DTWKUNHWSA-N	0	1	245.348	0.301	20	30		BCEDMN
Cn1cc(C#N)cc1C(=O)N1CCCN(C)CC1	ZINC000177608945	134300599	/nfs/dbraw/zinc/30/05/99/134300599.db2.gz	JSKOTGUADGEMPR-UHFFFAOYSA-N	0	1	246.314	0.674	20	30		BCEDMN
C=CCCCN(C)C(=O)[C@@H](N)COC	ZINC000220245850	134301694	/nfs/dbraw/zinc/30/16/94/134301694.db2.gz	MNDCTDJTXQIICA-VIFPVBQESA-N	0	1	200.282	0.385	20	30		BCEDMN
C=CCNC(=O)NC(=O)CN(C)CC(=C)C	ZINC000181264233	134334681	/nfs/dbraw/zinc/33/46/81/134334681.db2.gz	ANSGWRKNGRHNNU-UHFFFAOYSA-N	0	1	225.292	0.506	20	30		BCEDMN
C[C@H](O)CN1CCN(CC2(C#N)CC2)C[C@@H]1C	ZINC000408110536	134395090	/nfs/dbraw/zinc/39/50/90/134395090.db2.gz	RFIYBPCFXYOGMK-RYUDHWBXSA-N	0	1	237.347	0.677	20	30		BCEDMN
C=CCCS(=O)(=O)NCCN1CCCCC1	ZINC000130662297	134621480	/nfs/dbraw/zinc/62/14/80/134621480.db2.gz	WSUYTROMAXNUEH-UHFFFAOYSA-N	0	1	246.376	0.968	20	30		BCEDMN
C[C@@H](C#N)CN[C@@H]1CCC(=O)NC1(C)C	ZINC000335607814	134878281	/nfs/dbraw/zinc/87/82/81/134878281.db2.gz	HXZGOHKWOBXLHK-DTWKUNHWSA-N	0	1	209.293	0.793	20	30		BCEDMN
C=CCN1CC[C@H](N(C)Cc2cnc[nH]2)C1=O	ZINC000337237222	135009638	/nfs/dbraw/zinc/00/96/38/135009638.db2.gz	YKXRTGVASAYYCI-NSHDSACASA-N	0	1	234.303	0.628	20	30		BCEDMN
CN(C)CC(=O)NCC#Cc1cccc(F)c1	ZINC000338239717	135030344	/nfs/dbraw/zinc/03/03/44/135030344.db2.gz	LGKAGDACYDGXIY-UHFFFAOYSA-N	0	1	234.274	0.855	20	30		BCEDMN
Cc1nnc(NC(=O)c2cc3n(n2)CCCO3)[nH]1	ZINC000330314714	135053037	/nfs/dbraw/zinc/05/30/37/135053037.db2.gz	YCVRJXQGIAUXPA-UHFFFAOYSA-N	0	1	248.246	0.728	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cc3n(n2)CCCO3)n1	ZINC000330314714	135053039	/nfs/dbraw/zinc/05/30/39/135053039.db2.gz	YCVRJXQGIAUXPA-UHFFFAOYSA-N	0	1	248.246	0.728	20	30		BCEDMN
C=CCOCCN1CC[N@H+](CCO)[C@H](C)C1	ZINC000339098984	135059140	/nfs/dbraw/zinc/05/91/40/135059140.db2.gz	HIBBHMXAOXPWBO-GFCCVEGCSA-N	0	1	228.336	0.187	20	30		BCEDMN
C=CCOCCN1CCO[C@@]2(CCOC2)C1	ZINC000339098157	135059441	/nfs/dbraw/zinc/05/94/41/135059441.db2.gz	ZPDDXRZNDHXXSG-LBPRGKRZSA-N	0	1	227.304	0.680	20	30		BCEDMN
C[C@@H](C#N)S(=O)(=O)N1CCN2CCC[C@H]2C1	ZINC000251044796	135061875	/nfs/dbraw/zinc/06/18/75/135061875.db2.gz	PVQJPPSNCURSCL-UWVGGRQHSA-N	0	1	243.332	0.008	20	30		BCEDMN
O=C(NCC#CCO)c1n[nH]c2ccccc21	ZINC000339191861	135064904	/nfs/dbraw/zinc/06/49/04/135064904.db2.gz	BTOWNMIBSNGFHC-UHFFFAOYSA-N	0	1	229.239	0.288	20	30		BCEDMN
COC[C@@H](C(N)=O)N(C)CCCC(C)(C)C#N	ZINC000339363833	135071343	/nfs/dbraw/zinc/07/13/43/135071343.db2.gz	ZPCIARJDQQPYIJ-JTQLQIEISA-N	0	1	241.335	0.748	20	30		BCEDMN
CC#CCCN1CC[C@@H](CS(C)(=O)=O)C1	ZINC000366424041	135075662	/nfs/dbraw/zinc/07/56/62/135075662.db2.gz	XMIKFDVPBMEZQA-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
CNC(=O)[C@@H](C)NCc1cc(C#N)cs1	ZINC000086500204	135087318	/nfs/dbraw/zinc/08/73/18/135087318.db2.gz	OWWFUKIGMVUWIO-SSDOTTSWSA-N	0	1	223.301	0.844	20	30		BCEDMN
C=CCCOCCNC(=O)NCCN1CCC1	ZINC000339907089	135088805	/nfs/dbraw/zinc/08/88/05/135088805.db2.gz	VSSREQKXGVJEBN-UHFFFAOYSA-N	0	1	241.335	0.584	20	30		BCEDMN
Cc1n[nH]c(C(=O)NC[C@H](C)C#N)c1C	ZINC000259703915	135144244	/nfs/dbraw/zinc/14/42/44/135144244.db2.gz	SAXWDFSDQWIVIV-ZCFIWIBFSA-N	0	1	206.249	0.916	20	30		BCEDMN
C[C@H](C#N)CN(C)C(=O)[C@H]1CCCN1C	ZINC000259960063	135146264	/nfs/dbraw/zinc/14/62/64/135146264.db2.gz	LOVOGKXARIDROI-NXEZZACHSA-N	0	1	209.293	0.699	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CSc1nnc(C)[nH]1	ZINC000266857191	135149578	/nfs/dbraw/zinc/14/95/78/135149578.db2.gz	TTXWKMGFNOZLHE-SSDOTTSWSA-N	0	1	239.304	0.624	20	30		BCEDMN
CC[C@H](C#N)NC(=O)CSc1nc(C)n[nH]1	ZINC000266857191	135149581	/nfs/dbraw/zinc/14/95/81/135149581.db2.gz	TTXWKMGFNOZLHE-SSDOTTSWSA-N	0	1	239.304	0.624	20	30		BCEDMN
C[C@H](C#N)NC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000340432994	135181574	/nfs/dbraw/zinc/18/15/74/135181574.db2.gz	IXVDLNCKUMWGPA-SFYZADRCSA-N	0	1	218.260	0.858	20	30		BCEDMN
C=CCCS(=O)(=O)N1CCN[C@@H](C)[C@@H]1C	ZINC000261548883	135187517	/nfs/dbraw/zinc/18/75/17/135187517.db2.gz	OAGSJIIZFZFDSA-UWVGGRQHSA-N	0	1	232.349	0.575	20	30		BCEDMN
CC#CCN(C)C(=O)CN(C)[C@@H]1CCSC1	ZINC000341022099	135233300	/nfs/dbraw/zinc/23/33/00/135233300.db2.gz	DFUFWKAMOOYEAN-LLVKDONJSA-N	0	1	240.372	0.905	20	30		BCEDMN
C=CCOCC(=O)N[C@@H]1CCN(CCOC)C1	ZINC000340965360	135233436	/nfs/dbraw/zinc/23/34/36/135233436.db2.gz	OUFOTEFSAFBIDM-LLVKDONJSA-N	0	1	242.319	0.026	20	30		BCEDMN
C=C[C@@](C)(O)CC(=O)N1CCN(CC)C[C@H]1C	ZINC000341796652	135242481	/nfs/dbraw/zinc/24/24/81/135242481.db2.gz	INMPPKVFNYQXHR-DGCLKSJQSA-N	0	1	240.347	0.866	20	30		BCEDMN
N#CCNC(=O)CN1CCC[C@@H]1[C@H]1CCCO1	ZINC000342043374	135246870	/nfs/dbraw/zinc/24/68/70/135246870.db2.gz	GNNNHBQLSMXVFQ-GHMZBOCLSA-N	0	1	237.303	0.270	20	30		BCEDMN
CN1CCC[C@@H]1CNS(=O)(=O)CCCC#N	ZINC000342352059	135261403	/nfs/dbraw/zinc/26/14/03/135261403.db2.gz	XUZPKNOWYSXQMV-SNVBAGLBSA-N	0	1	245.348	0.304	20	30		BCEDMN
C=CCCN(C)CC(=O)NC1CCOCC1	ZINC000342725983	135315580	/nfs/dbraw/zinc/31/55/80/135315580.db2.gz	TWSUFYGYDXCXQN-UHFFFAOYSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N(CC)CCOCCO	ZINC000281943729	135370543	/nfs/dbraw/zinc/37/05/43/135370543.db2.gz	FBVMUTYSZZHEAN-LLVKDONJSA-N	0	1	244.335	0.008	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N(C)CC[C@H](C)O	ZINC000075781128	135391664	/nfs/dbraw/zinc/39/16/64/135391664.db2.gz	RXJBWTAKWWMQOB-UWVGGRQHSA-N	0	1	214.309	0.380	20	30		BCEDMN
C=C[C@H](CO)NC(=O)NCc1cn[nH]c1C	ZINC000292407424	135655232	/nfs/dbraw/zinc/65/52/32/135655232.db2.gz	MCGOCVOMUBKAGW-SECBINFHSA-N	0	1	224.264	0.064	20	30		BCEDMN
C=CCCCNC(=O)CCc1nc[nH]n1	ZINC000344531931	135776409	/nfs/dbraw/zinc/77/64/09/135776409.db2.gz	ZSRQULQBSOYPJQ-UHFFFAOYSA-N	0	1	208.265	0.820	20	30		BCEDMN
C=CCOCCCN1CCn2c(n[nH]c2=O)C1	ZINC000348058677	136024437	/nfs/dbraw/zinc/02/44/37/136024437.db2.gz	VHFZBBLHXLGVJA-UHFFFAOYSA-N	0	1	238.291	0.392	20	30		BCEDMN
C=CCOCCC[N@H+]1CCO[C@H](C(=O)NC)C1	ZINC000348047098	136029994	/nfs/dbraw/zinc/02/99/94/136029994.db2.gz	LBXUZMRKHREOEW-NSHDSACASA-N	0	1	242.319	0.026	20	30		BCEDMN
C=CCOCCCN1CCO[C@H](C(=O)NC)C1	ZINC000348047098	136029995	/nfs/dbraw/zinc/02/99/95/136029995.db2.gz	LBXUZMRKHREOEW-NSHDSACASA-N	0	1	242.319	0.026	20	30		BCEDMN
C[C@H](NCC(=O)NCC#N)c1cccc(O)c1	ZINC000181554719	397809066	/nfs/dbraw/zinc/80/90/66/397809066.db2.gz	JVGYEYOWTKPBFG-VIFPVBQESA-N	0	1	233.271	0.683	20	30		BCEDMN
Cc1ccc(O)c(CN2CC[C@@](O)(CC#N)C2)n1	ZINC000592523363	397950963	/nfs/dbraw/zinc/95/09/63/397950963.db2.gz	YZNIRWPZNPVWAU-ZDUSSCGKSA-N	0	1	247.298	0.946	20	30		BCEDMN
N#CCCCN1CCC[C@]12CCNC2=O	ZINC000593996186	397963299	/nfs/dbraw/zinc/96/32/99/397963299.db2.gz	NBBFSVNSWQJJGZ-LLVKDONJSA-N	0	1	207.277	0.645	20	30		BCEDMN
C[C@@H](CC#N)NCCN1C[C@H]2CC[C@@H](C1)O2	ZINC000590800519	397915581	/nfs/dbraw/zinc/91/55/81/397915581.db2.gz	YVSBZUJMUNDWBL-SDDRHHMPSA-N	0	1	223.320	0.741	20	30		BCEDMN
C#C[C@@H](C)[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1	ZINC000491507139	398044682	/nfs/dbraw/zinc/04/46/82/398044682.db2.gz	UDRCRCMXQAPWFW-SECBINFHSA-N	0	1	230.271	0.476	20	30		BCEDMN
C=C(C)C[C@H](C)C(=O)Nc1nn[nH]c1C(N)=O	ZINC000297932080	397994240	/nfs/dbraw/zinc/99/42/40/397994240.db2.gz	YPGJJMWACFEAOD-LURJTMIESA-N	0	1	237.263	0.444	20	30		BCEDMN
C[C@H](C(=O)N[C@@H](C#N)CO)N1CCCCCC1	ZINC000597746048	398017167	/nfs/dbraw/zinc/01/71/67/398017167.db2.gz	HOCYYZLWJLASCN-MNOVXSKESA-N	0	1	239.319	0.252	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H]1CCCN1C	ZINC000490701384	398027710	/nfs/dbraw/zinc/02/77/10/398027710.db2.gz	WBKKVFOTTIPBPY-LBPRGKRZSA-N	0	1	218.300	0.566	20	30		BCEDMN
C=C(Cl)CNC(=O)NCc1n[nH]c(CC)n1	ZINC000297604132	397984651	/nfs/dbraw/zinc/98/46/51/397984651.db2.gz	WBPQYSBAPCTTMP-UHFFFAOYSA-N	0	1	243.698	0.919	20	30		BCEDMN
CCO[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1	ZINC000521604586	398096681	/nfs/dbraw/zinc/09/66/81/398096681.db2.gz	LJDUOPIMZOCVHT-JTQLQIEISA-N	0	1	239.319	0.516	20	30		BCEDMN
C[C@@H]1CN(c2ccc(C#N)nn2)[C@H](C)CN1C	ZINC000611256822	398125835	/nfs/dbraw/zinc/12/58/35/398125835.db2.gz	AONOIJOQLFEHBX-NXEZZACHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C#CCCNC(=O)c1cnccc1N(C)C	ZINC000273601446	166148351	/nfs/dbraw/zinc/14/83/51/166148351.db2.gz	LHQNCPOAWFQDJQ-UHFFFAOYSA-N	0	1	217.272	0.901	20	30		BCEDMN
C#CCN(C)C(=O)CSc1nnc(C)[nH]1	ZINC000191053237	166156143	/nfs/dbraw/zinc/15/61/43/166156143.db2.gz	XSJGKUWTKGRRII-UHFFFAOYSA-N	0	1	224.289	0.297	20	30		BCEDMN
C#CCN(C)C(=O)CSc1nc(C)n[nH]1	ZINC000191053237	166156147	/nfs/dbraw/zinc/15/61/47/166156147.db2.gz	XSJGKUWTKGRRII-UHFFFAOYSA-N	0	1	224.289	0.297	20	30		BCEDMN
C=CCCNC(=O)NCCCc1nc[nH]n1	ZINC000665941022	487607788	/nfs/dbraw/zinc/60/77/88/487607788.db2.gz	RNEAUMKFKTWMDQ-UHFFFAOYSA-N	0	1	223.280	0.613	20	30		BCEDMN
N#Cc1ccc(NCCN2CCC2)nc1	ZINC000336740630	409632357	/nfs/dbraw/zinc/63/23/57/409632357.db2.gz	UNFCQSUKIRRMGP-UHFFFAOYSA-N	0	1	202.261	1.071	20	30		BCEDMN
C=CCN(CCCCS(C)(=O)=O)CCOC	ZINC000683041064	487611824	/nfs/dbraw/zinc/61/18/24/487611824.db2.gz	NUCMGHMLWHMEOF-UHFFFAOYSA-N	0	1	249.376	0.946	20	30		BCEDMN
C=CCCNC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000665944023	487613876	/nfs/dbraw/zinc/61/38/76/487613876.db2.gz	CTQARTRLAWNZID-ZETCQYMHSA-N	0	1	209.253	0.741	20	30		BCEDMN
C#CCN(C)C(=O)c1cnccc1N(C)C	ZINC000276958689	166158647	/nfs/dbraw/zinc/15/86/47/166158647.db2.gz	LTLBZGOKVPEIHD-UHFFFAOYSA-N	0	1	217.272	0.853	20	30		BCEDMN
C#CCN[C@H](Cc1ccccc1)C(N)=O	ZINC000273349480	166192314	/nfs/dbraw/zinc/19/23/14/166192314.db2.gz	ARAZEMWOARKTII-LLVKDONJSA-N	0	1	202.257	0.306	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@@H](C)CN1CCOCC1	ZINC000274789810	166216337	/nfs/dbraw/zinc/21/63/37/166216337.db2.gz	YAVYSOSOXBIMFN-QWRGUYRKSA-N	0	1	224.304	0.093	20	30		BCEDMN
C=CCCCN(CCOC)CC(=O)N(C)C	ZINC000118000634	166235419	/nfs/dbraw/zinc/23/54/19/166235419.db2.gz	USOCVRSHPJTUOU-UHFFFAOYSA-N	0	1	228.336	0.989	20	30		BCEDMN
C=CCCCN1CCC[C@H](O)[C@H]1C(=O)OC	ZINC000189595077	166235502	/nfs/dbraw/zinc/23/55/02/166235502.db2.gz	LZZPTKCEBHNAPR-QWRGUYRKSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CCC[C@@H](O)CN1CC(O)(C2CC2)C1	ZINC000375468072	166297442	/nfs/dbraw/zinc/29/74/42/166297442.db2.gz	KEIDSEPJXVNSHG-LLVKDONJSA-N	0	1	211.305	0.770	20	30		BCEDMN
C=CCC[C@H](O)CN(C)[C@@H]1CCN(C)C1=O	ZINC000268597153	166304320	/nfs/dbraw/zinc/30/43/20/166304320.db2.gz	WTXKCZMWXQUFKX-WDEREUQCSA-N	0	1	226.320	0.476	20	30		BCEDMN
C=CCN(C)C(=O)NC[C@H]1CN(C)CCN1C	ZINC000275065211	166316387	/nfs/dbraw/zinc/31/63/87/166316387.db2.gz	JKPDLFFAKKSPKJ-NSHDSACASA-N	0	1	240.351	0.060	20	30		BCEDMN
C=CCNC(=O)CN(C)[C@@H]1CCSC1	ZINC000119900574	166364988	/nfs/dbraw/zinc/36/49/88/166364988.db2.gz	QLTGXBCSLHRFJQ-SECBINFHSA-N	0	1	214.334	0.726	20	30		BCEDMN
C=CCNC(=O)CN1CCC(c2ncc[nH]2)CC1	ZINC000265477984	166365275	/nfs/dbraw/zinc/36/52/75/166365275.db2.gz	KBLROBBRPCWZPI-UHFFFAOYSA-N	0	1	248.330	0.891	20	30		BCEDMN
C=CCNC(=O)CN(C)C[C@H]1CCC[C@H]1O	ZINC000270208721	166366038	/nfs/dbraw/zinc/36/60/38/166366038.db2.gz	XZKYLOOGGCTNCV-GHMZBOCLSA-N	0	1	226.320	0.381	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]1CC	ZINC000292474291	166375980	/nfs/dbraw/zinc/37/59/80/166375980.db2.gz	RPOJYXMFASYHTR-UWVGGRQHSA-N	0	1	239.319	0.871	20	30		BCEDMN
C=CCNC(=O)[C@H](C)N[C@H](C)c1cnn(C)c1	ZINC000273319784	166388844	/nfs/dbraw/zinc/38/88/44/166388844.db2.gz	QUHRMMQAEOLJRC-ZJUUUORDSA-N	0	1	236.319	0.761	20	30		BCEDMN
C=CCNC(=O)CN1C[C@]2(C)COC[C@]2(C)C1	ZINC000661496375	410710108	/nfs/dbraw/zinc/71/01/08/410710108.db2.gz	MOYYLTQLTHHSTB-BETUJISGSA-N	0	1	238.331	0.647	20	30		BCEDMN
N#Cc1cnccc1NCc1n[nH]c(C2CC2)n1	ZINC000566050336	410733428	/nfs/dbraw/zinc/73/34/28/410733428.db2.gz	ZWRNSYKZUBZARO-UHFFFAOYSA-N	0	1	240.270	0.983	20	30		BCEDMN
C=CCCCCCNC(=O)[C@H]1CNCCO1	ZINC000655488525	410792182	/nfs/dbraw/zinc/79/21/82/410792182.db2.gz	GLOJQRVSNJZEJX-LLVKDONJSA-N	0	1	226.320	0.837	20	30		BCEDMN
C=CCCN1CCN(c2nncn2C)CC1	ZINC000653819558	411192418	/nfs/dbraw/zinc/19/24/18/411192418.db2.gz	ZWCTZLDJSAAQLG-UHFFFAOYSA-N	0	1	221.308	0.513	20	30		BCEDMN
C[C@@]1(C#N)CCN(C(=O)[C@]2(C)CNCCO2)C1	ZINC000602532225	411296192	/nfs/dbraw/zinc/29/61/92/411296192.db2.gz	DYNFFMPSJTUWSK-RYUDHWBXSA-N	0	1	237.303	0.127	20	30		BCEDMN
C=C[C@H](CO)N[C@H]1CCN(c2ccccc2)C1=O	ZINC000662165629	411370091	/nfs/dbraw/zinc/37/00/91/411370091.db2.gz	JWYDFJUHLYQFDN-YPMHNXCESA-N	0	1	246.310	0.928	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)N[C@@H](C)CCC	ZINC000662165793	411370403	/nfs/dbraw/zinc/37/04/03/411370403.db2.gz	OZFIGPOHPDUDOM-GARJFASQSA-N	0	1	228.336	0.816	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)c1cncnc1C	ZINC000658334918	411343828	/nfs/dbraw/zinc/34/38/28/411343828.db2.gz	XTIVXJKWXFJTRZ-VHSXEESVSA-N	0	1	207.277	0.983	20	30		BCEDMN
C=CCOCCCNC(=O)[C@@H](N)COC(C)C	ZINC000659359042	411401978	/nfs/dbraw/zinc/40/19/78/411401978.db2.gz	NWBMZULXGJDSDD-NSHDSACASA-N	0	1	244.335	0.448	20	30		BCEDMN
C=CCOCCCNC(=O)N1CCN[C@H](C)C1	ZINC000659596820	411439519	/nfs/dbraw/zinc/43/95/19/411439519.db2.gz	LVDBSXFCVBIBLP-LLVKDONJSA-N	0	1	241.335	0.582	20	30		BCEDMN
C=CCCn1cc(CNCCCO)nn1	ZINC000657286562	411446156	/nfs/dbraw/zinc/44/61/56/411446156.db2.gz	PQRJFKSFMFLWTD-UHFFFAOYSA-N	0	1	210.281	0.326	20	30		BCEDMN
C=CCCn1cc(CNCC2(CO)CC2)nn1	ZINC000657382656	411488046	/nfs/dbraw/zinc/48/80/46/411488046.db2.gz	HUXNIMJHSYVWIW-UHFFFAOYSA-N	0	1	236.319	0.716	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CN1CC[C@@H](C)C1	ZINC000655136759	411502588	/nfs/dbraw/zinc/50/25/88/411502588.db2.gz	BVYKNMDENGTLKA-NEPJUHHUSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CCC[C@@H](CO)NC(=O)CN1CC[C@H](C)C1	ZINC000655136761	411502639	/nfs/dbraw/zinc/50/26/39/411502639.db2.gz	BVYKNMDENGTLKA-RYUDHWBXSA-N	0	1	240.347	0.772	20	30		BCEDMN
C=C[C@H](CO)NCc1ccnn1CCC	ZINC000657794033	411598953	/nfs/dbraw/zinc/59/89/53/411598953.db2.gz	MKMWFBZNRMFPSF-SNVBAGLBSA-N	0	1	209.293	0.930	20	30		BCEDMN
Cc1nnc(NC(=O)c2cc(C#N)ccn2)[nH]1	ZINC000354028495	411772764	/nfs/dbraw/zinc/77/27/64/411772764.db2.gz	OBZOEKOLNQWZLK-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
Cc1n[nH]c(NC(=O)c2cc(C#N)ccn2)n1	ZINC000354028495	411772766	/nfs/dbraw/zinc/77/27/66/411772766.db2.gz	OBZOEKOLNQWZLK-UHFFFAOYSA-N	0	1	228.215	0.632	20	30		BCEDMN
CCc1nc([C@@H](C)Nc2cc(C#N)cnn2)n[nH]1	ZINC000596181204	411787838	/nfs/dbraw/zinc/78/78/38/411787838.db2.gz	YZWPVENKJDKHTM-SSDOTTSWSA-N	0	1	243.274	1.202	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCc2nnc(N)cc2C1	ZINC000363877597	411848595	/nfs/dbraw/zinc/84/85/95/411848595.db2.gz	DLQRPKFEOCYQAP-LLVKDONJSA-N	0	1	248.330	0.744	20	30		BCEDMN
CC#CCN1CCC[C@H](c2nnc(N)o2)C1	ZINC000639822991	411853363	/nfs/dbraw/zinc/85/33/63/411853363.db2.gz	UXTBTYYQRZWGKH-VIFPVBQESA-N	0	1	220.276	0.855	20	30		BCEDMN
CC#CC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000662013938	411938944	/nfs/dbraw/zinc/93/89/44/411938944.db2.gz	XBTPGVQEGZPRIL-NSHDSACASA-N	0	1	223.320	0.697	20	30		BCEDMN
CC#CCN1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000662013938	411938947	/nfs/dbraw/zinc/93/89/47/411938947.db2.gz	XBTPGVQEGZPRIL-NSHDSACASA-N	0	1	223.320	0.697	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000662163430	412013173	/nfs/dbraw/zinc/01/31/73/412013173.db2.gz	AMKCPNQGGJZXIJ-GRYCIOLGSA-N	0	1	240.347	0.627	20	30		BCEDMN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C=C)CO	ZINC000662165630	412014382	/nfs/dbraw/zinc/01/43/82/412014382.db2.gz	LPZZTYYKXLKEIN-NWDGAFQWSA-N	0	1	238.331	0.712	20	30		BCEDMN
C=C[C@H](CO)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000662166272	412014785	/nfs/dbraw/zinc/01/47/85/412014785.db2.gz	YAZMBOMOBUXYSK-WCQYABFASA-N	0	1	248.326	0.828	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCCCC	ZINC000662165279	412014906	/nfs/dbraw/zinc/01/49/06/412014906.db2.gz	CRCRKDGFQSPAEM-NXEZZACHSA-N	0	1	214.309	0.428	20	30		BCEDMN
C=C[C@H](CO)N[C@H](C)C(=O)NCc1ccccc1	ZINC000662166271	412015246	/nfs/dbraw/zinc/01/52/46/412015246.db2.gz	YAZMBOMOBUXYSK-DGCLKSJQSA-N	0	1	248.326	0.828	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCCC[C@H]1CC	ZINC000662167755	412015637	/nfs/dbraw/zinc/01/56/37/412015637.db2.gz	OPRWSDHRPAEIDU-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NC(C)(C)CC	ZINC000662167989	412015789	/nfs/dbraw/zinc/01/57/89/412015789.db2.gz	WXOZUWBZKFCZIE-SECBINFHSA-N	0	1	214.309	0.428	20	30		BCEDMN
C=C[C@H](CO)NCc1ccc(OC)cn1	ZINC000662168412	412016404	/nfs/dbraw/zinc/01/64/04/412016404.db2.gz	FLACYEMLNVSSCT-SECBINFHSA-N	0	1	208.261	0.727	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)N1CCc2ccccc21	ZINC000662167579	412016704	/nfs/dbraw/zinc/01/67/04/412016704.db2.gz	KQLFDASLWQLGPE-GFCCVEGCSA-N	0	1	246.310	0.712	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NC(C1CC1)C1CC1	ZINC000662167817	412016791	/nfs/dbraw/zinc/01/67/91/412016791.db2.gz	IVDUQWUEUIOUDG-LLVKDONJSA-N	0	1	238.331	0.428	20	30		BCEDMN
C=CC[NH+](CC=C)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000662201135	412024648	/nfs/dbraw/zinc/02/46/48/412024648.db2.gz	PBVXXQVKIZXLTN-JTQLQIEISA-N	0	1	238.287	0.346	20	30		BCEDMN
Cc1cc(C[C@H](C)Nc2cc(C#N)cnn2)[nH]n1	ZINC000596165776	412320290	/nfs/dbraw/zinc/32/02/90/412320290.db2.gz	NKYGOLRGFYFTLR-QMMMGPOBSA-N	0	1	242.286	1.423	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCN(CC(C)C)CC1	ZINC000665530898	412349340	/nfs/dbraw/zinc/34/93/40/412349340.db2.gz	GJBRLCKYCLZRMS-ZDUSSCGKSA-N	0	1	240.347	0.724	20	30		BCEDMN
C=CC[C@@]1(C(=O)N[C@@H](C)c2nnc[nH]2)CCC[NH2+]1	ZINC000662752137	412291257	/nfs/dbraw/zinc/29/12/57/412291257.db2.gz	HOCLHGLTKVPGLN-CABZTGNLSA-N	0	1	249.318	0.680	20	30		BCEDMN
C=CC[C@@]1(C(=O)N[C@@H](C)c2nnc[n-]2)CCC[NH2+]1	ZINC000662752137	412291260	/nfs/dbraw/zinc/29/12/60/412291260.db2.gz	HOCLHGLTKVPGLN-CABZTGNLSA-N	0	1	249.318	0.680	20	30		BCEDMN
CN(C)C(=O)CCN[C@H]1CCC[C@@H]1C#N	ZINC000054828037	172360155	/nfs/dbraw/zinc/36/01/55/172360155.db2.gz	BQHHYQLPYLKQRW-ZJUUUORDSA-N	0	1	209.293	0.747	20	30		BCEDMN
CN1CCCN(C(=O)c2ccc(C#N)nc2)CC1	ZINC000115316202	173013781	/nfs/dbraw/zinc/01/37/81/173013781.db2.gz	XNJOHBVROCQNFW-UHFFFAOYSA-N	0	1	244.298	0.731	20	30		BCEDMN
CN1CCC[C@@H]1CNC(=O)c1ccc(C#N)o1	ZINC000335072355	173031767	/nfs/dbraw/zinc/03/17/67/173031767.db2.gz	YCOCCLIERORPJV-SECBINFHSA-N	0	1	233.271	0.975	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2ncccc2C#N)C1	ZINC000069052409	173074720	/nfs/dbraw/zinc/07/47/20/173074720.db2.gz	TWIWGFHWKTWVLF-GFCCVEGCSA-N	0	1	245.330	0.611	20	30		BCEDMN
CN1CCN(Cc2ccnc(C#N)c2)CC1	ZINC000068765377	173089572	/nfs/dbraw/zinc/08/95/72/173089572.db2.gz	QXKAKPHYFABUJS-UHFFFAOYSA-N	0	1	216.288	0.701	20	30		BCEDMN
CN1C[C@@H](NCc2ccc(C#N)o2)CCC1=O	ZINC000135190283	173187286	/nfs/dbraw/zinc/18/72/86/173187286.db2.gz	IOGPLJMSHCELEJ-VIFPVBQESA-N	0	1	233.271	0.862	20	30		BCEDMN
COCCCN(CCO)Cc1ccc(C#N)o1	ZINC000188929968	174224037	/nfs/dbraw/zinc/22/40/37/174224037.db2.gz	RHWRONMSIFMUOD-UHFFFAOYSA-N	0	1	238.287	0.982	20	30		BCEDMN
COCCCN[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594964	174250204	/nfs/dbraw/zinc/25/02/04/174250204.db2.gz	XTKFODLWPNPCBU-LBPRGKRZSA-N	0	1	247.298	0.711	20	30		BCEDMN
COc1ccnc(C(=O)Nc2nn[nH]n2)c1	ZINC000028260678	175356964	/nfs/dbraw/zinc/35/69/64/175356964.db2.gz	ZIDGWBCPYBECKR-UHFFFAOYSA-N	0	1	220.192	0.240	20	30		BCEDMN
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278622802	176013669	/nfs/dbraw/zinc/01/36/69/176013669.db2.gz	FYBOAZPWIFETFK-TVYUQYBPSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](O)[C@@H](O)C1	ZINC000278622802	176013670	/nfs/dbraw/zinc/01/36/70/176013670.db2.gz	FYBOAZPWIFETFK-TVYUQYBPSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278757450	177035315	/nfs/dbraw/zinc/03/53/15/177035315.db2.gz	MKVHEMKKUGJESV-WQAKAFBOSA-N	0	1	232.283	0.657	20	30		BCEDMN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](O)[C@@H](O)C1	ZINC000278757450	177035317	/nfs/dbraw/zinc/03/53/17/177035317.db2.gz	MKVHEMKKUGJESV-WQAKAFBOSA-N	0	1	232.283	0.657	20	30		BCEDMN
N#Cc1cncc(NCCN2CCSCC2)n1	ZINC000401321088	226355054	/nfs/dbraw/zinc/35/50/54/226355054.db2.gz	JIUIRLZYQCGKKF-UHFFFAOYSA-N	0	1	249.343	0.809	20	30		BCEDMN
C=CC[C@H](C)NC(=O)Cc1n[nH]c(C)n1	ZINC000668854190	487665537	/nfs/dbraw/zinc/66/55/37/487665537.db2.gz	CQHKNMMEIBTDBD-ZETCQYMHSA-N	0	1	208.265	0.736	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCO[C@@]2(CCCOC2)C1	ZINC000671696557	487695794	/nfs/dbraw/zinc/69/57/94/487695794.db2.gz	FYWBMOGSXGJZNG-STQMWFEESA-N	0	1	241.331	0.805	20	30		BCEDMN
Cc1cc(CNC2(C(N)=O)CC2)ccc1C#N	ZINC000488252309	533685873	/nfs/dbraw/zinc/68/58/73/533685873.db2.gz	NLQYTQOVTTZWFH-UHFFFAOYSA-N	0	1	229.283	0.974	20	30		BCEDMN
Cc1cc(NCCc2nc[nH]n2)c(C#N)cn1	ZINC000399501220	267299424	/nfs/dbraw/zinc/29/94/24/267299424.db2.gz	KSMBJTSXXLFJQF-UHFFFAOYSA-N	0	1	228.259	0.456	20	30		BCEDMN
C=C[C@](C)(O)C(=O)N1CCCN(CC)CC1	ZINC000668476064	487802079	/nfs/dbraw/zinc/80/20/79/487802079.db2.gz	WOCAXPNAMTYZOG-LBPRGKRZSA-N	0	1	226.320	0.478	20	30		BCEDMN
COCC#CCN1CC[C@@H](n2cncn2)C1	ZINC000681604208	487823273	/nfs/dbraw/zinc/82/32/73/487823273.db2.gz	QFZUOCUGNUEFDC-LLVKDONJSA-N	0	1	220.276	0.175	20	30		BCEDMN
CON=CC(=O)N1C[C@H](C)N(C)C[C@H]1C	ZINC000809744031	586516241	/nfs/dbraw/zinc/51/62/41/586516241.db2.gz	RDZZSXNVNBPGMS-DTWKUNHWSA-N	0	1	213.281	0.170	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000833368213	587709127	/nfs/dbraw/zinc/70/91/27/587709127.db2.gz	CRUFOYWUSFMQFN-IUCAKERBSA-N	0	1	201.266	0.576	20	30		BCEDMN
C#CCC[C@@H](O)CNC[C@@H](C#N)CCC#N	ZINC000843102078	588081863	/nfs/dbraw/zinc/08/18/63/588081863.db2.gz	SUOWYUUDGUNIDZ-VXGBXAGGSA-N	0	1	219.288	0.794	20	30		BCEDMN
CC#CCN1CCC(OC)(OC)[C@H](O)C1	ZINC000931636972	640298439	/nfs/dbraw/zinc/29/84/39/640298439.db2.gz	YSQNQETZEVWQTD-SNVBAGLBSA-N	0	1	213.277	0.065	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@H](C)O[C@H](COC)C1	ZINC000682221867	487929267	/nfs/dbraw/zinc/92/92/67/487929267.db2.gz	RDJJTLZRXYPTQM-SRVKXCTJSA-N	0	1	229.320	0.659	20	30		BCEDMN
C=C(C)[C@H](CO)N1C[C@@H](C)O[C@@H](COC)C1	ZINC000682221869	487929784	/nfs/dbraw/zinc/92/97/84/487929784.db2.gz	RDJJTLZRXYPTQM-UTUOFQBUSA-N	0	1	229.320	0.659	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1CC	ZINC000248484595	323022081	/nfs/dbraw/zinc/02/20/81/323022081.db2.gz	DLYDJDPKGRQRQX-VXGBXAGGSA-N	0	1	240.347	0.914	20	30		BCEDMN
CC(C)[C@@H](C#N)NC(=O)CN1CC[C@@H](C)C1	ZINC000570697230	323067681	/nfs/dbraw/zinc/06/76/81/323067681.db2.gz	ZXPPWELLPYUIIM-GHMZBOCLSA-N	0	1	223.320	0.993	20	30		BCEDMN
CC[C@H](CC#N)NC[C@H]1CCCNC1=O	ZINC000572778170	323068324	/nfs/dbraw/zinc/06/83/24/323068324.db2.gz	ABTFCSFJCDYUKF-NXEZZACHSA-N	0	1	209.293	0.794	20	30		BCEDMN
COCCOC[C@@H](O)CNCC1(C#N)CCC1	ZINC000563008415	323079631	/nfs/dbraw/zinc/07/96/31/323079631.db2.gz	YFKHNYQMBSDJQN-NSHDSACASA-N	0	1	242.319	0.294	20	30		BCEDMN
COC(=O)c1nc[nH]c1NC(=O)CCCC#N	ZINC000563544968	323129550	/nfs/dbraw/zinc/12/95/50/323129550.db2.gz	FOKZEIDEWOQISW-UHFFFAOYSA-N	0	1	236.231	0.829	20	30		BCEDMN
C[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C)N1C	ZINC000310397674	323130943	/nfs/dbraw/zinc/13/09/43/323130943.db2.gz	SYEPHYMFSQOWAX-AOOOYVTPSA-N	0	1	231.303	0.877	20	30		BCEDMN
CN1CCN(C)[C@@H](CNc2ncncc2C#N)C1	ZINC000310733974	323134435	/nfs/dbraw/zinc/13/44/35/323134435.db2.gz	OIJLPBJVMMWHDG-NSHDSACASA-N	0	1	246.318	0.006	20	30		BCEDMN
CN1CCN(C)[C@H](CNc2ncncc2C#N)C1	ZINC000310733973	323134482	/nfs/dbraw/zinc/13/44/82/323134482.db2.gz	OIJLPBJVMMWHDG-LLVKDONJSA-N	0	1	246.318	0.006	20	30		BCEDMN
C#CCN1CCC[C@H](N2CCCC2=O)C1	ZINC000111295716	323158470	/nfs/dbraw/zinc/15/84/70/323158470.db2.gz	HYAFQMVLCDALOG-NSHDSACASA-N	0	1	206.289	0.706	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)[C@@H](C)CN1CCOCC1	ZINC000535761345	323190615	/nfs/dbraw/zinc/19/06/15/323190615.db2.gz	PYJLXMZHINIIFK-QWRGUYRKSA-N	0	1	239.319	0.231	20	30		BCEDMN
CSc1nc(=O)n(CC2(C#N)CC2)[nH]1	ZINC000526997901	323310168	/nfs/dbraw/zinc/31/01/68/323310168.db2.gz	QMBWYWPPWQDIPM-UHFFFAOYSA-N	0	1	210.262	0.597	20	30		BCEDMN
C=C(C)[C@H](CO)N1CCCN(C(N)=O)CC1	ZINC000677048493	487959165	/nfs/dbraw/zinc/95/91/65/487959165.db2.gz	YXXGEIQTWCPJFH-JTQLQIEISA-N	0	1	227.308	0.010	20	30		BCEDMN
C[C@@H](NC(=O)NC[C@H](C)C#N)c1nnc[nH]1	ZINC000541950318	325000961	/nfs/dbraw/zinc/00/09/61/325000961.db2.gz	ROKKEULYCLXSNF-RNFRBKRXSA-N	0	1	222.252	0.325	20	30		BCEDMN
CC#CCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000542671896	325040969	/nfs/dbraw/zinc/04/09/69/325040969.db2.gz	YMVXZHAJWHBBNS-UHFFFAOYSA-N	0	1	222.204	0.461	20	30		BCEDMN
C[C@@H](C#N)CNC(=O)NCCN1CCC1	ZINC000542877456	325060215	/nfs/dbraw/zinc/06/02/15/325060215.db2.gz	SUIMLSMXCXHIRO-VIFPVBQESA-N	0	1	210.281	0.151	20	30		BCEDMN
Cc1[nH]ncc1CNC(=O)NC[C@H](C)C#N	ZINC000545237202	325198799	/nfs/dbraw/zinc/19/87/99/325198799.db2.gz	PKQAFLWXYHFBKD-SSDOTTSWSA-N	0	1	221.264	0.677	20	30		BCEDMN
C=CCCN1CCN(CC(=O)NCC)CC1	ZINC000132464052	325218392	/nfs/dbraw/zinc/21/83/92/325218392.db2.gz	GFQYMGFEYQGMHT-UHFFFAOYSA-N	0	1	225.336	0.316	20	30		BCEDMN
C=CC[C@H](CO)CNc1ccncc1C(N)=O	ZINC000546580951	325288549	/nfs/dbraw/zinc/28/85/49/325288549.db2.gz	ZMYVXXDSKFPLRZ-VIFPVBQESA-N	0	1	235.287	0.199	20	30		BCEDMN
C=CCNC(=O)NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C	ZINC000547768572	325394529	/nfs/dbraw/zinc/39/45/29/325394529.db2.gz	AWGMZPLLLOEPEK-AEJSXWLSSA-N	0	1	239.319	0.869	20	30		BCEDMN
C[C@H]1[C@H](C)N(c2ccnc(C#N)n2)CCN1C	ZINC000566485344	326057039	/nfs/dbraw/zinc/05/70/39/326057039.db2.gz	GSDUGZCWMNNKEV-UWVGGRQHSA-N	0	1	231.303	0.877	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)[O-]	ZINC000568063029	326302596	/nfs/dbraw/zinc/30/25/96/326302596.db2.gz	ZORRHHASROULLL-DTWKUNHWSA-N	0	1	201.266	0.718	20	30		BCEDMN
N#Cc1cncc(NCc2n[nH]c(C3CC3)n2)n1	ZINC000568082861	326305697	/nfs/dbraw/zinc/30/56/97/326305697.db2.gz	VNSADWSFGJQSRG-UHFFFAOYSA-N	0	1	241.258	0.956	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)CN1CC[C@H](C)C1	ZINC000568104985	326309083	/nfs/dbraw/zinc/30/90/83/326309083.db2.gz	KYGNRQZBKUTYDK-JQWIXIFHSA-N	0	1	239.319	0.373	20	30		BCEDMN
CC[C@H]1CN(C)CC[N@@H+]1CCOCCC#N	ZINC000568503780	326360704	/nfs/dbraw/zinc/36/07/04/326360704.db2.gz	SUGKDIMZYLYQAD-LBPRGKRZSA-N	0	1	225.336	0.943	20	30		BCEDMN
N#Cc1ccc(OCCn2nnnc2CN)cc1	ZINC000569240230	326397307	/nfs/dbraw/zinc/39/73/07/326397307.db2.gz	KGRYBAUSVRMAEB-UHFFFAOYSA-N	0	1	244.258	0.082	20	30		BCEDMN
Cc1ccc(OC[C@@H](O)CNCC#CCO)cc1	ZINC000569243288	326397512	/nfs/dbraw/zinc/39/75/12/326397512.db2.gz	GWXYMZLNWNNZAM-ZDUSSCGKSA-N	0	1	249.310	0.320	20	30		BCEDMN
COCC#CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC000682538995	487980745	/nfs/dbraw/zinc/98/07/45/487980745.db2.gz	MNBIMIYKOHWYED-QJPTWQEYSA-N	0	1	236.315	0.222	20	30		BCEDMN
C=CCNC(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000220523799	487988939	/nfs/dbraw/zinc/98/89/39/487988939.db2.gz	NZHDYQDELHBVHR-MRVPVSSYSA-N	0	1	205.261	0.817	20	30		BCEDMN
C=C[C@](C)(CC)C(=O)NCc1nn[nH]n1	ZINC000682361021	488007027	/nfs/dbraw/zinc/00/70/27/488007027.db2.gz	FIGXYNYXXIRTAO-SECBINFHSA-N	0	1	209.253	0.418	20	30		BCEDMN
C#C[C@H](CO)NC[C@H](O)c1cc(C)cc(C)c1	ZINC000491508040	488033424	/nfs/dbraw/zinc/03/34/24/488033424.db2.gz	YEWHEBFVMVNUBO-KGLIPLIRSA-N	0	1	233.311	0.921	20	30		BCEDMN
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C#N)CC1	ZINC000619545313	488041102	/nfs/dbraw/zinc/04/11/02/488041102.db2.gz	JAQCDICFZIULFL-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
CN1CCCC[C@@H]1C(=O)NCC1(C#N)CC1	ZINC000619545313	488041112	/nfs/dbraw/zinc/04/11/12/488041112.db2.gz	JAQCDICFZIULFL-SNVBAGLBSA-N	0	1	221.304	0.891	20	30		BCEDMN
CC#CCCNC(=O)NCc1cc(C)[nH]n1	ZINC000681521720	488060018	/nfs/dbraw/zinc/06/00/18/488060018.db2.gz	SZJMQSZMYROSMS-UHFFFAOYSA-N	0	1	220.276	0.931	20	30		BCEDMN
C=CCCOCC(=O)NCCc1nc(C)n[nH]1	ZINC000673936131	487485677	/nfs/dbraw/zinc/48/56/77/487485677.db2.gz	WGGVRRQNMFTUGW-UHFFFAOYSA-N	0	1	238.291	0.365	20	30		BCEDMN
C=CCC[C@H](O)CN(CC)CC(=O)N(C)C	ZINC000675495321	487741812	/nfs/dbraw/zinc/74/18/12/487741812.db2.gz	MINRGWMVCNVQTM-NSHDSACASA-N	0	1	228.336	0.724	20	30		BCEDMN
O=C(NCC#CCO)c1[nH]nc2c1CCCC2	ZINC000670410263	488152703	/nfs/dbraw/zinc/15/27/03/488152703.db2.gz	CEQCKPRFRXPHOZ-UHFFFAOYSA-N	0	1	233.271	0.014	20	30		BCEDMN
COCC#CCN(C)[C@@H](CO)COC(C)C	ZINC000683371952	488154857	/nfs/dbraw/zinc/15/48/57/488154857.db2.gz	FROUBFAXQGNFRS-LBPRGKRZSA-N	0	1	229.320	0.354	20	30		BCEDMN
C=C(C)[C@H](CO)N(CC)CC(=O)NCC	ZINC000677951694	488164835	/nfs/dbraw/zinc/16/48/35/488164835.db2.gz	QQXFXODPQYACKL-JTQLQIEISA-N	0	1	214.309	0.381	20	30		BCEDMN
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH]nn1	ZINC000683856207	488232757	/nfs/dbraw/zinc/23/27/57/488232757.db2.gz	FRYITVPQWNCVQP-NXEZZACHSA-N	0	1	236.275	0.402	20	30		BCEDMN
C=CCOCCNC(=O)[C@H]1CCCN1C1CC1	ZINC000683868837	488234882	/nfs/dbraw/zinc/23/48/82/488234882.db2.gz	JWBICFBOMMLPEV-GFCCVEGCSA-N	0	1	238.331	0.932	20	30		BCEDMN
CC(C)(CCC(=O)NO)N1CCOCC1	ZINC000671997635	488235655	/nfs/dbraw/zinc/23/56/55/488235655.db2.gz	YPBKRPZXEQIEJL-UHFFFAOYSA-N	0	1	216.281	0.383	20	30		BCEDMN
C=CCCOCC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000672328012	488251970	/nfs/dbraw/zinc/25/19/70/488251970.db2.gz	WPJVPWHQPIEWCZ-QMMMGPOBSA-N	0	1	238.291	0.883	20	30		BCEDMN
CCC#C[C@H](C)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000684008141	488254615	/nfs/dbraw/zinc/25/46/15/488254615.db2.gz	MEXNPJWFLZHKLQ-GWCFXTLKSA-N	0	1	249.314	0.462	20	30		BCEDMN
COCC#CCN(C)CCc1cnccn1	ZINC000678467507	488257928	/nfs/dbraw/zinc/25/79/28/488257928.db2.gz	WIYYUIZYAXXVEH-UHFFFAOYSA-N	0	1	219.288	0.601	20	30		BCEDMN
C=CCOCCNC(=O)NCCN1CCC1	ZINC000679629490	488360419	/nfs/dbraw/zinc/36/04/19/488360419.db2.gz	ZHQHBTYHEJFNJA-UHFFFAOYSA-N	0	1	227.308	0.194	20	30		BCEDMN
COC(=O)[C@](C)(O)CN1CCC(C)(C#N)CC1	ZINC000408183917	490165359	/nfs/dbraw/zinc/16/53/59/490165359.db2.gz	VBAYMDXNTSMZBP-GFCCVEGCSA-N	0	1	240.303	0.536	20	30		BCEDMN
CO/N=C/C(=O)NCCCc1cn[nH]c1C	ZINC000283807510	490301224	/nfs/dbraw/zinc/30/12/24/490301224.db2.gz	WVNDSKFDVNLYMF-NTUHNPAUSA-N	0	1	224.264	0.399	20	30		BCEDMN
COCC#CCN1CCC([C@H](C)O)CC1	ZINC000677818022	490664637	/nfs/dbraw/zinc/66/46/37/490664637.db2.gz	SGHQVRWZQUYSOE-NSHDSACASA-N	0	1	211.305	0.729	20	30		BCEDMN
CCN(CCNS(=O)(=O)[C@@H](C)C#N)C1CC1	ZINC000218105849	535740340	/nfs/dbraw/zinc/74/03/40/535740340.db2.gz	DVJJDWQDMMQIAB-VIFPVBQESA-N	0	1	245.348	0.302	20	30		BCEDMN
C=C(CC)CN1CC[C@H](S(N)(=O)=O)C1	ZINC000358881624	534398557	/nfs/dbraw/zinc/39/85/57/534398557.db2.gz	ZJFGJRJGOPKYBK-VIFPVBQESA-N	0	1	218.322	0.315	20	30		BCEDMN
C=C(Cl)CN1CC[C@H]2C(=O)NC[C@@H]2C1	ZINC000377721072	534440165	/nfs/dbraw/zinc/44/01/65/534440165.db2.gz	ISFJZTJKIOVCGD-RKDXNWHRSA-N	0	1	214.696	0.807	20	30		BCEDMN
C=CCn1c(C)nnc1N1CCN(CC)CC1	ZINC000350624021	534436571	/nfs/dbraw/zinc/43/65/71/534436571.db2.gz	XJEDNUCWAOGXQJ-UHFFFAOYSA-N	0	1	235.335	0.914	20	30		BCEDMN
C=C[C@@H]1CCCCN1CCS(=O)(=O)N(C)C	ZINC000352421633	534558641	/nfs/dbraw/zinc/55/86/41/534558641.db2.gz	MTJQQTILCAOTTA-LLVKDONJSA-N	0	1	246.376	0.918	20	30		BCEDMN
C=CCCCC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000359130748	534659990	/nfs/dbraw/zinc/65/99/90/534659990.db2.gz	YMJFRAYNWUIYAJ-GFCCVEGCSA-N	0	1	239.363	0.705	20	30		BCEDMN
C=CCN(CC)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1	ZINC000361034124	534820076	/nfs/dbraw/zinc/82/00/76/534820076.db2.gz	KPMHXMLHNRXLNB-DTWKUNHWSA-N	0	1	220.276	0.943	20	30		BCEDMN
C=CCNC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C	ZINC000249066706	534856671	/nfs/dbraw/zinc/85/66/71/534856671.db2.gz	QJPVUSMSSHUCMC-JGPRNRPPSA-N	0	1	226.320	0.522	20	30		BCEDMN
C=CCOCCN(CC)[C@@H]1CCNC1=O	ZINC000294074918	534877001	/nfs/dbraw/zinc/87/70/01/534877001.db2.gz	KXNVZLXQLRIZJV-SNVBAGLBSA-N	0	1	212.293	0.399	20	30		BCEDMN
C=CCOCCN1CC[C@@](F)(CO)C1	ZINC000339172899	534878907	/nfs/dbraw/zinc/87/89/07/534878907.db2.gz	BWBKFQBOMNHWTK-JTQLQIEISA-N	0	1	203.257	0.595	20	30		BCEDMN
CC(C)(C)c1nc(CN2CCO[C@@H](C#N)C2)n[nH]1	ZINC000292757471	534898085	/nfs/dbraw/zinc/89/80/85/534898085.db2.gz	XGCADLNRZIPMQY-VIFPVBQESA-N	0	1	249.318	0.827	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)CO1	ZINC000892498655	582898530	/nfs/dbraw/zinc/89/85/30/582898530.db2.gz	LJVZWTQIIPHHFJ-IVZWLZJFSA-N	0	1	238.287	0.645	20	30		BCEDMN
C=CCN(CCO)CCNC(=O)OC(C)(C)C	ZINC000495411582	526274916	/nfs/dbraw/zinc/27/49/16/526274916.db2.gz	FHBXBBOUARIHQH-UHFFFAOYSA-N	0	1	244.335	0.991	20	30		BCEDMN
C#CC[N@H+](C)CCCNc1ncnc2[n-]cnc21	ZINC000292640271	526829390	/nfs/dbraw/zinc/82/93/90/526829390.db2.gz	AVKKVOCJGVAURZ-UHFFFAOYSA-N	0	1	244.302	0.720	20	30		BCEDMN
C#CC[N@@H+](C)CCCNc1ncnc2[n-]cnc21	ZINC000292640271	526829394	/nfs/dbraw/zinc/82/93/94/526829394.db2.gz	AVKKVOCJGVAURZ-UHFFFAOYSA-N	0	1	244.302	0.720	20	30		BCEDMN
C#CCN1CCN(C(=O)CN(CC)C2CC2)CC1	ZINC000173193119	526948472	/nfs/dbraw/zinc/94/84/72/526948472.db2.gz	ZPBBZGPSEASLAD-UHFFFAOYSA-N	0	1	249.358	0.248	20	30		BCEDMN
C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000491644777	527204258	/nfs/dbraw/zinc/20/42/58/527204258.db2.gz	LNXSKXVOBIDPOX-NXEZZACHSA-N	0	1	246.314	0.930	20	30		BCEDMN
C#C[C@H](C)N(C)CCn1cc([N+](=O)[O-])cn1	ZINC000491252589	527332068	/nfs/dbraw/zinc/33/20/68/527332068.db2.gz	IRCZXJSUBAPUAJ-VIFPVBQESA-N	0	1	222.248	0.745	20	30		BCEDMN
CC1(C)C[C@]1(C#N)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000292623042	534939540	/nfs/dbraw/zinc/93/95/40/534939540.db2.gz	YFLMARFDHNQJNE-SNVBAGLBSA-N	0	1	249.230	0.740	20	30		BCEDMN
CC1(C)NC(=O)CC[C@H]1NCC1(C#N)CC1	ZINC000335606870	534971668	/nfs/dbraw/zinc/97/16/68/534971668.db2.gz	ZWBZCODOFPOEFB-SECBINFHSA-N	0	1	221.304	0.937	20	30		BCEDMN
CC(C)(C#N)C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000371281363	534974103	/nfs/dbraw/zinc/97/41/03/534974103.db2.gz	VEKAHNVNGXHAIZ-MRVPVSSYSA-N	0	1	232.287	0.933	20	30		BCEDMN
CC(C)C(N)=NOC[C@H]1CNC(=O)O1	ZINC000282290343	535338227	/nfs/dbraw/zinc/33/82/27/535338227.db2.gz	QKVQQADFMGUVLF-ZCFIWIBFSA-N	0	1	201.226	0.040	20	30		BCEDMN
CCN1CCC[C@@H](NS(=O)(=O)[C@H](C)C#N)C1	ZINC000250188619	535539726	/nfs/dbraw/zinc/53/97/26/535539726.db2.gz	ABOVDSSCWIIVIH-NXEZZACHSA-N	0	1	245.348	0.302	20	30		BCEDMN
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)C(C)C#N	ZINC000359103038	536523504	/nfs/dbraw/zinc/52/35/04/536523504.db2.gz	KCSLELCHEIMQPR-BBBLOLIVSA-N	0	1	238.287	0.946	20	30		BCEDMN
COC[C@](C)(C#N)NC(=O)c1[nH]nc2c1CCC2	ZINC000269510633	536616867	/nfs/dbraw/zinc/61/68/67/536616867.db2.gz	CMYZLCRCZQGLOR-LBPRGKRZSA-N	0	1	248.286	0.557	20	30		BCEDMN
C=C(C)[C@H](CC(=O)N(C)c1nn[nH]n1)OCC	ZINC000892954376	583019770	/nfs/dbraw/zinc/01/97/70/583019770.db2.gz	JABYKACERHPQLB-QMMMGPOBSA-N	0	1	239.279	0.534	20	30		BCEDMN
C#C[C@H](N[C@H](C)COC(C)=O)[C@H]1CCCO1	ZINC000893677944	583195190	/nfs/dbraw/zinc/19/51/90/583195190.db2.gz	YJOICQIJAUALHW-ADEWGFFLSA-N	0	1	225.288	0.708	20	30		BCEDMN
C[C@@H](CO)NN=Cc1ccnn1-c1ccncc1	ZINC000853313165	588732160	/nfs/dbraw/zinc/73/21/60/588732160.db2.gz	AJBRJJHEGVGAIJ-JTQLQIEISA-N	0	1	245.286	0.572	20	30		BCEDMN
Cc1nc(C=NNC2=NC[C@@H](C)N2)[nH]c1C	ZINC000853330493	588733556	/nfs/dbraw/zinc/73/35/56/588733556.db2.gz	NYMZZAYDWRTOHT-ZCFIWIBFSA-N	0	1	220.280	0.298	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn3c2CCC3)N1	ZINC000853329887	588733581	/nfs/dbraw/zinc/73/35/81/588733581.db2.gz	GLSMTNTWPSJUPK-QMMMGPOBSA-N	0	1	232.291	0.101	20	30		BCEDMN
Cn1nncc1N=NCc1c(C2CC2)cnn1C	ZINC000853352189	588737112	/nfs/dbraw/zinc/73/71/12/588737112.db2.gz	KWEGWYDOUQHFOI-UHFFFAOYSA-N	0	1	245.290	0.872	20	30		BCEDMN
CCCn1nccc1C=NNC1=NCCN1	ZINC000853357711	588737882	/nfs/dbraw/zinc/73/78/82/588737882.db2.gz	JXGYMYKCYZCAPL-UHFFFAOYSA-N	0	1	220.280	0.176	20	30		BCEDMN
C[C@H]1COC(=O)C1=NN=c1cc[nH]cc1F	ZINC000853402355	588741167	/nfs/dbraw/zinc/74/11/67/588741167.db2.gz	WZTDXNJRIQNQAB-LURJTMIESA-N	0	1	223.207	0.603	20	30		BCEDMN
Cc1nnc(N=NC2CN(C)C[C@H]2C)n1C	ZINC000853432707	588742163	/nfs/dbraw/zinc/74/21/63/588742163.db2.gz	GBELMEHHIYOMAJ-SSDOTTSWSA-N	0	1	222.296	0.473	20	30		BCEDMN
NC(CN1CCCCCC1)=NOCCO	ZINC000111997833	588778065	/nfs/dbraw/zinc/77/80/65/588778065.db2.gz	MIGWKKJGBKCBQM-UHFFFAOYSA-N	0	1	215.297	0.144	20	30		BCEDMN
C#CC(=O)N1CCC(N2CCOC[C@@H]2C)CC1	ZINC000854568169	588794863	/nfs/dbraw/zinc/79/48/63/588794863.db2.gz	IPXVYEIPYQPPOS-NSHDSACASA-N	0	1	236.315	0.331	20	30		BCEDMN
CC(C)C#CC(=O)NCCc1nc[nH]n1	ZINC000854672821	588800613	/nfs/dbraw/zinc/80/06/13/588800613.db2.gz	ITMMDIBVCDEKNP-UHFFFAOYSA-N	0	1	206.249	0.123	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)[C@@H]1CCCN1C	ZINC000854697745	588802930	/nfs/dbraw/zinc/80/29/30/588802930.db2.gz	KKQUJMGMXAFRID-CMPLNLGQSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)CCc1nc[nH]n1	ZINC000854698624	588802990	/nfs/dbraw/zinc/80/29/90/588802990.db2.gz	CJJDVGNXTXWFNQ-LLVKDONJSA-N	0	1	220.276	0.655	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)C1=NC(=O)N(C)C1	ZINC000854823291	588812070	/nfs/dbraw/zinc/81/20/70/588812070.db2.gz	DXABYTDNQROBJM-APPZFPTMSA-N	0	1	237.259	0.199	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)C2(N(C)C)CC2)C1	ZINC000855047790	588821700	/nfs/dbraw/zinc/82/17/00/588821700.db2.gz	IZUNUYAAJZCQBR-LLVKDONJSA-N	0	1	220.316	0.952	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)N(C)Cc1cnc[nH]1	ZINC000855134861	588822619	/nfs/dbraw/zinc/82/26/19/588822619.db2.gz	BHHRUCYGUKQENI-VIFPVBQESA-N	0	1	221.260	0.406	20	30		BCEDMN
C#CCOCCC(=O)N(C)Cc1cnc[nH]1	ZINC000855136448	588822923	/nfs/dbraw/zinc/82/29/23/588822923.db2.gz	QMNSPLDSGGXUNL-UHFFFAOYSA-N	0	1	221.260	0.408	20	30		BCEDMN
C=CC[C@@H]1CCN1C(=O)[C@]1(C)C[C@@H](O)CN1C	ZINC000890548270	582470426	/nfs/dbraw/zinc/47/04/26/582470426.db2.gz	OQLQNBBYMJTGKL-WZRBSPASSA-N	0	1	238.331	0.619	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)CCc1c[nH]nn1	ZINC000890654562	582493827	/nfs/dbraw/zinc/49/38/27/582493827.db2.gz	DWNGAFUDMJWACW-LLVKDONJSA-N	0	1	232.287	0.752	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)CCc1cnn[nH]1	ZINC000890654562	582493828	/nfs/dbraw/zinc/49/38/28/582493828.db2.gz	DWNGAFUDMJWACW-LLVKDONJSA-N	0	1	232.287	0.752	20	30		BCEDMN
C#C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000890655160	582494083	/nfs/dbraw/zinc/49/40/83/582494083.db2.gz	LWDYYQZYKPDHOJ-OPRDCNLKSA-N	0	1	222.244	0.666	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1	ZINC000890655739	582494726	/nfs/dbraw/zinc/49/47/26/582494726.db2.gz	PXUPSIRDEVNSRD-VIFPVBQESA-N	0	1	218.260	0.362	20	30		BCEDMN
C#C[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1	ZINC000890656383	582494831	/nfs/dbraw/zinc/49/48/31/582494831.db2.gz	WMFXJKWLUZHDJP-VIFPVBQESA-N	0	1	233.271	0.754	20	30		BCEDMN
C[C@H](C(=O)NCC#C[C@@H]1CCCCO1)N(C)C	ZINC000891107918	582611543	/nfs/dbraw/zinc/61/15/43/582611543.db2.gz	VWQTUWJHFVTGFZ-NEPJUHHUSA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N(C)CC1CN(C)C1	ZINC000855640856	588843115	/nfs/dbraw/zinc/84/31/15/588843115.db2.gz	DQMPNWWRHWCBLQ-SNVBAGLBSA-N	0	1	224.304	0.045	20	30		BCEDMN
COCc1ccc(C=NNC2=NC[C@H](C)N2)o1	ZINC000779801821	582735114	/nfs/dbraw/zinc/73/51/14/582735114.db2.gz	YIOCRIMHMCWJLG-QMMMGPOBSA-N	0	1	236.275	0.697	20	30		BCEDMN
CC(C#N)C(=O)N[C@]1(C)CC(C)(C)OC1=O	ZINC000848151580	582749706	/nfs/dbraw/zinc/74/97/06/582749706.db2.gz	LYDNHJIHCMESST-WRWORJQWSA-N	0	1	224.260	0.746	20	30		BCEDMN
C=C(C)[C@@H](CO)Sc1nc(N)cc(N)n1	ZINC000393734451	582920624	/nfs/dbraw/zinc/92/06/24/582920624.db2.gz	VGGZPSCXGYPLHP-ZCFIWIBFSA-N	0	1	226.305	0.500	20	30		BCEDMN
C#CCCN(CCOC)C(=O)[C@@H]1CCCN1C	ZINC000856388039	588871191	/nfs/dbraw/zinc/87/11/91/588871191.db2.gz	HHJLRQJNAWAEDQ-LBPRGKRZSA-N	0	1	238.331	0.579	20	30		BCEDMN
C=C[C@@](C)(CC)C(=O)N(C)c1nn[nH]n1	ZINC000892955367	583018234	/nfs/dbraw/zinc/01/82/34/583018234.db2.gz	ZYLKOOCELNNARL-VIFPVBQESA-N	0	1	209.253	0.765	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1c[nH]nn1)[C@@H]1CCCO1	ZINC000867500515	583117243	/nfs/dbraw/zinc/11/72/43/583117243.db2.gz	ZJWPCDYKCKOAQE-MNOVXSKESA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnn[nH]1)[C@@H]1CCCO1	ZINC000867500515	583117245	/nfs/dbraw/zinc/11/72/45/583117245.db2.gz	ZJWPCDYKCKOAQE-MNOVXSKESA-N	0	1	248.286	0.034	20	30		BCEDMN
CCN1CC[C@@H]1CNC(=O)CSCC#N	ZINC000893871719	583237497	/nfs/dbraw/zinc/23/74/97/583237497.db2.gz	MNRPGKXNVZDSJH-SECBINFHSA-N	0	1	227.333	0.454	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)CSCC#N	ZINC000893871720	583237538	/nfs/dbraw/zinc/23/75/38/583237538.db2.gz	MNRPGKXNVZDSJH-VIFPVBQESA-N	0	1	227.333	0.454	20	30		BCEDMN
C#CCN(CC)C[C@H]1[C@H](C(=O)OC)C1(F)F	ZINC000893975831	583264516	/nfs/dbraw/zinc/26/45/16/583264516.db2.gz	HYKSYFYJQOBVTK-DTWKUNHWSA-N	0	1	231.242	0.996	20	30		BCEDMN
C#CC[C@H]1NC(=O)N(C[C@@H]2CCN2CC)C1=O	ZINC000877880761	583352437	/nfs/dbraw/zinc/35/24/37/583352437.db2.gz	IPNCMTUYQWQNHL-VHSXEESVSA-N	0	1	235.287	0.024	20	30		BCEDMN
CCN(CCC(=O)N(C)OC)C[C@@H](C)C#N	ZINC000788011518	583360276	/nfs/dbraw/zinc/36/02/76/583360276.db2.gz	ALKVUWDZEUAYPR-JTQLQIEISA-N	0	1	227.308	0.878	20	30		BCEDMN
N#Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1	ZINC000840670425	583403114	/nfs/dbraw/zinc/40/31/14/583403114.db2.gz	FJCJOZMAFKJFEK-NXEZZACHSA-N	0	1	247.210	0.662	20	30		BCEDMN
C#C[C@H]1COCCN1Cc1n[nH]c(C)c1C	ZINC000894986139	583564807	/nfs/dbraw/zinc/56/48/07/583564807.db2.gz	UNGJQEFMXGBJTO-NSHDSACASA-N	0	1	219.288	0.861	20	30		BCEDMN
C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cncnc1	ZINC000814886115	583597029	/nfs/dbraw/zinc/59/70/29/583597029.db2.gz	RZCXKAKXQVXDQO-QWRGUYRKSA-N	0	1	244.302	0.671	20	30		BCEDMN
O=C1[C@H](NC2CSC2)CCCN1O	ZINC000895163181	583611196	/nfs/dbraw/zinc/61/11/96/583611196.db2.gz	RYYIXWTUJCDNMF-SSDOTTSWSA-N	0	1	202.279	0.072	20	30		BCEDMN
C#CC[N@@H+]1CCC[C@@H](Nc2cc(=O)[nH]cn2)C1	ZINC000895200255	583623934	/nfs/dbraw/zinc/62/39/34/583623934.db2.gz	FIYCODMYMRWRSZ-SNVBAGLBSA-N	0	1	232.287	0.692	20	30		BCEDMN
Cc1n[nH]c(C2CN(c3ccnc(C#N)n3)C2)n1	ZINC000895328237	583651623	/nfs/dbraw/zinc/65/16/23/583651623.db2.gz	LJOMLXFTHMXOCS-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
Cc1nc(C2CN(c3ccnc(C#N)n3)C2)n[nH]1	ZINC000895328237	583651624	/nfs/dbraw/zinc/65/16/24/583651624.db2.gz	LJOMLXFTHMXOCS-UHFFFAOYSA-N	0	1	241.258	0.379	20	30		BCEDMN
C#CCN1CCC(Nc2cnc(C#N)cn2)CC1	ZINC000895808165	583732738	/nfs/dbraw/zinc/73/27/38/583732738.db2.gz	BVLOVYOIVLALDB-UHFFFAOYSA-N	0	1	241.298	0.858	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(OC)cn1	ZINC000895963460	583753697	/nfs/dbraw/zinc/75/36/97/583753697.db2.gz	IRSWQVMNSWUGIA-LLVKDONJSA-N	0	1	220.272	0.564	20	30		BCEDMN
C[C@@H](CC#N)NC(=O)C1CN([C@H]2CCOC2)C1	ZINC000895982951	583758260	/nfs/dbraw/zinc/75/82/60/583758260.db2.gz	PDOHPJINUUBVQU-ONGXEEELSA-N	0	1	237.303	0.125	20	30		BCEDMN
CC[C@@H]1CCC[N@H+]1CC(=O)NCCC#N	ZINC000727833201	583782633	/nfs/dbraw/zinc/78/26/33/583782633.db2.gz	PDIAYACWJYSSRP-SNVBAGLBSA-N	0	1	209.293	0.891	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000896413762	583801183	/nfs/dbraw/zinc/80/11/83/583801183.db2.gz	HTXFUKDFTYFERN-ZYHUDNBSSA-N	0	1	238.331	0.788	20	30		BCEDMN
C#CCSCC(=O)N[C@@H](C)c1nnc[nH]1	ZINC000896763963	583831459	/nfs/dbraw/zinc/83/14/59/583831459.db2.gz	XADAHXLYOXGDGI-ZETCQYMHSA-N	0	1	224.289	0.348	20	30		BCEDMN
N#CCCCNC(=O)C1CN([C@H]2CCOC2)C1	ZINC000897367953	583942875	/nfs/dbraw/zinc/94/28/75/583942875.db2.gz	KEGYWEHZAPNHGA-NSHDSACASA-N	0	1	237.303	0.127	20	30		BCEDMN
CC#CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1	ZINC000888118958	583967272	/nfs/dbraw/zinc/96/72/72/583967272.db2.gz	OFITYTVRNXSKRX-UHFFFAOYSA-N	0	1	235.243	0.937	20	30		BCEDMN
C#C[C@@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C	ZINC000897433885	583973802	/nfs/dbraw/zinc/97/38/02/583973802.db2.gz	GJLNKTHUJIHWJY-ZJUUUORDSA-N	0	1	208.305	0.997	20	30		BCEDMN
Cc1nnc(C=NNC2=NC[C@H](C)N2)s1	ZINC000863105264	583975984	/nfs/dbraw/zinc/97/59/84/583975984.db2.gz	LDCPYDFBYWKZPT-YFKPBYRVSA-N	0	1	224.293	0.118	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cc[nH]c(=O)c2)N1	ZINC000863105713	583976040	/nfs/dbraw/zinc/97/60/40/583976040.db2.gz	YJRKBCULPLXPNK-ZETCQYMHSA-N	0	1	219.248	0.058	20	30		BCEDMN
Cc1nnc(CN=Nc2cnnn2C)s1	ZINC000863117142	583978101	/nfs/dbraw/zinc/97/81/01/583978101.db2.gz	KFFJXIPJBFSXRH-UHFFFAOYSA-N	0	1	223.265	0.421	20	30		BCEDMN
C#CC[C@@H](CCOC)NCc1cnn(CC)n1	ZINC000858334043	588946384	/nfs/dbraw/zinc/94/63/84/588946384.db2.gz	GWQWIILSULNLPU-NSHDSACASA-N	0	1	236.319	0.816	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@H](C)N(C)C	ZINC000863801111	583996523	/nfs/dbraw/zinc/99/65/23/583996523.db2.gz	VGUSNPMDNMZDSF-UWVGGRQHSA-N	0	1	212.293	0.091	20	30		BCEDMN
C#CCO[N-]C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C	ZINC000897811467	584046297	/nfs/dbraw/zinc/04/62/97/584046297.db2.gz	CRUGTAVQYPFIQE-VIFPVBQESA-N	0	1	210.277	0.540	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)NCc2n[nH]c(C)n2)C1	ZINC000898347534	584111786	/nfs/dbraw/zinc/11/17/86/584111786.db2.gz	PJZORRFCWMCUOH-JTQLQIEISA-N	0	1	247.302	0.668	20	30		BCEDMN
C#CCN(CC)C(=O)NCc1n[nH]c(C)n1	ZINC000898371834	584112874	/nfs/dbraw/zinc/11/28/74/584112874.db2.gz	JQEGYDVNFLEYIF-UHFFFAOYSA-N	0	1	221.264	0.278	20	30		BCEDMN
C#CCSCC(=O)N1CC(N2CCCC2)C1	ZINC000898596268	584144425	/nfs/dbraw/zinc/14/44/25/584144425.db2.gz	LAYJOCYJVHLXSO-UHFFFAOYSA-N	0	1	238.356	0.659	20	30		BCEDMN
C=C1CN(C(=O)CN(C)[C@@H]2CCSC2)C1	ZINC000898699249	584149880	/nfs/dbraw/zinc/14/98/80/584149880.db2.gz	COGACXTXPRERHG-SNVBAGLBSA-N	0	1	226.345	0.822	20	30		BCEDMN
C=C1CN(C(=O)[C@H](C)CN2CCOCC2)C1	ZINC000898699861	584150135	/nfs/dbraw/zinc/15/01/35/584150135.db2.gz	TZDKDVQCYFZCBC-LLVKDONJSA-N	0	1	224.304	0.353	20	30		BCEDMN
C#CCN1CCC(C(=O)N2CC(=C)C2)CC1	ZINC000898695765	584154104	/nfs/dbraw/zinc/15/41/04/584154104.db2.gz	JHUPINOZQQOQLD-UHFFFAOYSA-N	0	1	218.300	0.730	20	30		BCEDMN
C#CC(=O)NC(C)(C)CN1CCN(CC)CC1	ZINC000899218700	584182501	/nfs/dbraw/zinc/18/25/01/584182501.db2.gz	IZSJAWVYPLRGNH-UHFFFAOYSA-N	0	1	237.347	0.152	20	30		BCEDMN
C#CCCc1cc(=O)n(C[C@H](O)CC)[nH]1	ZINC000899355000	584201471	/nfs/dbraw/zinc/20/14/71/584201471.db2.gz	MOZNYWFZUCFLAH-SNVBAGLBSA-N	0	1	208.261	0.759	20	30		BCEDMN
C#CCCc1cc(=O)n(C[C@@H](O)CC)[nH]1	ZINC000899354999	584201622	/nfs/dbraw/zinc/20/16/22/584201622.db2.gz	MOZNYWFZUCFLAH-JTQLQIEISA-N	0	1	208.261	0.759	20	30		BCEDMN
C#CCCc1cc(=O)n(CC(=O)OCC)[nH]1	ZINC000899356692	584202249	/nfs/dbraw/zinc/20/22/49/584202249.db2.gz	QIELZYKXDMVOQC-UHFFFAOYSA-N	0	1	222.244	0.551	20	30		BCEDMN
C#CCc1c(C)[n-]n(C2CC[NH2+]CC2)c1=O	ZINC000899363098	584204657	/nfs/dbraw/zinc/20/46/57/584204657.db2.gz	DESWWSGPWFGGIC-LLVKDONJSA-N	0	1	219.288	0.596	20	30		BCEDMN
C=CCn1cc(CN[C@H]2COC[C@H]2CC)nn1	ZINC000899884508	584246972	/nfs/dbraw/zinc/24/69/72/584246972.db2.gz	HBOSXRMXIKYVIH-PWSUYJOCSA-N	0	1	236.319	0.979	20	30		BCEDMN
C=C(C)CN(CC)C(=O)[C@@]1(C)C[C@H](O)CN1C	ZINC000900169067	584281590	/nfs/dbraw/zinc/28/15/90/584281590.db2.gz	QAAFPEROSUJWQE-WCQYABFASA-N	0	1	240.347	0.866	20	30		BCEDMN
C[C@@H](CC#N)N(C)C(=O)Cc1c[nH]cn1	ZINC000900568933	584326636	/nfs/dbraw/zinc/32/66/36/584326636.db2.gz	ZGEQZNQQLMRPSC-QMMMGPOBSA-N	0	1	206.249	0.713	20	30		BCEDMN
C#CCSCC(=O)N1CCCN(CC)CC1	ZINC000900634569	584334418	/nfs/dbraw/zinc/33/44/18/584334418.db2.gz	SPBLHKQEMPHBCD-UHFFFAOYSA-N	0	1	240.372	0.907	20	30		BCEDMN
C#CC(C)(C)NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC000900704545	584343052	/nfs/dbraw/zinc/34/30/52/584343052.db2.gz	XSQIUXLJPLKDOS-LLVKDONJSA-N	0	1	236.315	0.235	20	30		BCEDMN
C#CCSCCNC(=O)Cc1cnc[nH]1	ZINC000900794054	584352817	/nfs/dbraw/zinc/35/28/17/584352817.db2.gz	CEHRPGOGJOPDTF-UHFFFAOYSA-N	0	1	223.301	0.435	20	30		BCEDMN
C#CC[C@@H](CCOC)Nc1ccncc1C(N)=O	ZINC000858857088	588979255	/nfs/dbraw/zinc/97/92/55/588979255.db2.gz	PKDGOXWPULNBHP-JTQLQIEISA-N	0	1	247.298	0.443	20	30		BCEDMN
C#CC[C@H](CCOC)Nc1ccncc1C(N)=O	ZINC000858857089	588979423	/nfs/dbraw/zinc/97/94/23/588979423.db2.gz	PKDGOXWPULNBHP-SNVBAGLBSA-N	0	1	247.298	0.443	20	30		BCEDMN
C#CC[C@H](COC)Nc1ccncc1C(N)=O	ZINC000858860489	588979767	/nfs/dbraw/zinc/97/97/67/588979767.db2.gz	NPAVYTVLBAJOLB-SECBINFHSA-N	0	1	233.271	0.053	20	30		BCEDMN
CC(=NOCC(F)F)c1c[nH]c(N)n1	ZINC000901217483	584401845	/nfs/dbraw/zinc/40/18/45/584401845.db2.gz	PQOSAIKXWGRCAN-UHFFFAOYSA-N	0	1	204.180	0.998	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2ccn3nccc3n2)NO1	ZINC000901249992	584409676	/nfs/dbraw/zinc/40/96/76/584409676.db2.gz	MDWNAPNDXYFQSS-SSDOTTSWSA-N	0	1	245.242	0.581	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)o1	ZINC000901252339	584410232	/nfs/dbraw/zinc/41/02/32/584410232.db2.gz	DUWYMJNHTMXLCU-UHFFFAOYSA-N	0	1	208.221	0.171	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cnn(C2CCC2)c1	ZINC000901252540	584410306	/nfs/dbraw/zinc/41/03/06/584410306.db2.gz	IHOOJGOMFIHCMN-UHFFFAOYSA-N	0	1	246.318	0.881	20	30		BCEDMN
C[C@H]1Cc2cc(C=NNC3=NCCN3)ccc2O1	ZINC000901252455	584410539	/nfs/dbraw/zinc/41/05/39/584410539.db2.gz	GFJITINIKQELEP-VIFPVBQESA-N	0	1	244.298	0.893	20	30		BCEDMN
C[C@@H]1C(N=N[C@@H]2CCCC[C@H]2O)CCN1C	ZINC000901332709	584425378	/nfs/dbraw/zinc/42/53/78/584425378.db2.gz	KTAACVAFNUFYTI-YUSALJHKSA-N	0	1	225.336	0.960	20	30		BCEDMN
C#CCCOC(=O)NCc1cc(C)[nH]n1	ZINC000858997373	588989245	/nfs/dbraw/zinc/98/92/45/588989245.db2.gz	MJZPYRGEQZXZOT-UHFFFAOYSA-N	0	1	207.233	0.968	20	30		BCEDMN
C=CC[N@H+](C)Cc1c(CO)[nH]cc(OC)c1=O	ZINC000902228239	584541705	/nfs/dbraw/zinc/54/17/05/584541705.db2.gz	FTSRWCBEALXSLL-UHFFFAOYSA-N	0	1	238.287	0.494	20	30		BCEDMN
C=CCN(C)Cc1c(CO)[nH]cc(OC)c1=O	ZINC000902228239	584541706	/nfs/dbraw/zinc/54/17/06/584541706.db2.gz	FTSRWCBEALXSLL-UHFFFAOYSA-N	0	1	238.287	0.494	20	30		BCEDMN
C[C@@H](N[C@@H](C)CC(N)=O)c1cc(C#N)ccn1	ZINC000902848784	584681851	/nfs/dbraw/zinc/68/18/51/584681851.db2.gz	XSWVOORBUIVHLZ-DTWKUNHWSA-N	0	1	232.287	0.868	20	30		BCEDMN
C#CCN1CCC(NC(=O)C(C)(F)F)CC1	ZINC000902944025	584696185	/nfs/dbraw/zinc/69/61/85/584696185.db2.gz	CXJDXZAAFBOHER-UHFFFAOYSA-N	0	1	230.258	0.855	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cn(C)nn1	ZINC000903009047	584717285	/nfs/dbraw/zinc/71/72/85/584717285.db2.gz	XLOOAVIYNVLIDL-NGZCFLSTSA-N	0	1	222.292	0.809	20	30		BCEDMN
CCS(=O)(=O)Nc1ccncc1C#N	ZINC000903149937	584732338	/nfs/dbraw/zinc/73/23/38/584732338.db2.gz	IMAFZFSXAYBWOG-UHFFFAOYSA-N	0	1	211.246	0.137	20	30		BCEDMN
C=CCCC[N@H+](CC)CC(=O)NCC(=O)[O-]	ZINC000903713086	584793380	/nfs/dbraw/zinc/79/33/80/584793380.db2.gz	ZEXKZZMVIDIGBD-UHFFFAOYSA-N	0	1	228.292	0.475	20	30		BCEDMN
C#CCCOC(=O)N[C@@H](C)c1n[nH]c(C)n1	ZINC000859157877	589011316	/nfs/dbraw/zinc/01/13/16/589011316.db2.gz	RDJADCCBDVEQSZ-ZETCQYMHSA-N	0	1	222.248	0.924	20	30		BCEDMN
C[C@@H](CO)N(C)N=C1CCN2CCC[C@@H]12	ZINC000842541290	584901959	/nfs/dbraw/zinc/90/19/59/584901959.db2.gz	HMOLDKMYZSWDIK-ONGXEEELSA-N	0	1	211.309	0.523	20	30		BCEDMN
O=S1(=O)C=C(NNc2ccc(F)cn2)CC1	ZINC000731317545	584924906	/nfs/dbraw/zinc/92/49/06/584924906.db2.gz	AEUTVCZOKKJYJB-UHFFFAOYSA-N	0	1	243.263	0.807	20	30		BCEDMN
C[C@@H]1C[N@@H+](C)CC1=NOC[C@@H]1CCOC1	ZINC000788037699	584928120	/nfs/dbraw/zinc/92/81/20/584928120.db2.gz	XQRXRUGMBMJYDL-NXEZZACHSA-N	0	1	212.293	0.977	20	30		BCEDMN
C[C@@H]1CN(C)CC1=NOC[C@@H]1CCOC1	ZINC000788037699	584928121	/nfs/dbraw/zinc/92/81/21/584928121.db2.gz	XQRXRUGMBMJYDL-NXEZZACHSA-N	0	1	212.293	0.977	20	30		BCEDMN
C=CCCOCC(=O)OCCc1c[nH]nn1	ZINC000734332437	584960166	/nfs/dbraw/zinc/96/01/66/584960166.db2.gz	UTULFKYALRLIAM-UHFFFAOYSA-N	0	1	225.248	0.483	20	30		BCEDMN
C=CCCOCC(=O)OCCc1cnn[nH]1	ZINC000734332437	584960167	/nfs/dbraw/zinc/96/01/67/584960167.db2.gz	UTULFKYALRLIAM-UHFFFAOYSA-N	0	1	225.248	0.483	20	30		BCEDMN
C[C@@H](C#N)C[N@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000736201858	584991676	/nfs/dbraw/zinc/99/16/76/584991676.db2.gz	KLYBDMFAIMNAQY-VIFPVBQESA-N	0	1	241.291	0.011	20	30		BCEDMN
C[C@@H](C#N)C[N@@H+](C)CCC(=O)N(C)CC(=O)[O-]	ZINC000736201858	584991677	/nfs/dbraw/zinc/99/16/77/584991677.db2.gz	KLYBDMFAIMNAQY-VIFPVBQESA-N	0	1	241.291	0.011	20	30		BCEDMN
C#C[C@H](NC(=O)CCc1nc[nH]n1)[C@@H]1CCCO1	ZINC000772892458	585018433	/nfs/dbraw/zinc/01/84/33/585018433.db2.gz	XFULCQYKJQVMPD-UWVGGRQHSA-N	0	1	248.286	0.034	20	30		BCEDMN
C#C[C@@H](NC(=O)Cc1cc(C)n[nH]1)[C@@H]1CCCO1	ZINC000772893191	585018487	/nfs/dbraw/zinc/01/84/87/585018487.db2.gz	SHVLZRDIVWKSKH-NEPJUHHUSA-N	0	1	247.298	0.558	20	30		BCEDMN
Cc1nccc(C=NNC2=NC[C@H](C)N2)n1	ZINC000814897388	585018725	/nfs/dbraw/zinc/01/87/25/585018725.db2.gz	JLNXRFMFNNTLDE-ZETCQYMHSA-N	0	1	218.264	0.056	20	30		BCEDMN
CC[N@@H+](CCC(=O)NCC(=O)[O-])C[C@H](C)C#N	ZINC000737094216	585025708	/nfs/dbraw/zinc/02/57/08/585025708.db2.gz	RPTSUSHYESDIAI-SECBINFHSA-N	0	1	241.291	0.059	20	30		BCEDMN
C#CCN1CCN(C(=O)[C@@H]2CCCCN2C)CC1	ZINC000737851413	585039022	/nfs/dbraw/zinc/03/90/22/585039022.db2.gz	VATXDNQZDUJVKZ-ZDUSSCGKSA-N	0	1	249.358	0.248	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)NCc1ccccc1	ZINC000841507141	585040834	/nfs/dbraw/zinc/04/08/34/585040834.db2.gz	VVCQJICMOJFRTN-RYUDHWBXSA-N	0	1	244.298	0.597	20	30		BCEDMN
C#CCN(CC)C(=O)NCc1cc(C)[nH]n1	ZINC000739020172	585057310	/nfs/dbraw/zinc/05/73/10/585057310.db2.gz	LJTPFNZWLPGCQC-UHFFFAOYSA-N	0	1	220.276	0.883	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1	ZINC000838786072	585070220	/nfs/dbraw/zinc/07/02/20/585070220.db2.gz	FVZUZACNFAIKNB-APPZFPTMSA-N	0	1	208.261	0.877	20	30		BCEDMN
C=CC[C@H](CO)CNCc1cnn(CC)n1	ZINC000838984653	585084199	/nfs/dbraw/zinc/08/41/99/585084199.db2.gz	NDAZFIWYPCXIQC-JTQLQIEISA-N	0	1	224.308	0.572	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCOC1	ZINC000740535204	585102795	/nfs/dbraw/zinc/10/27/95/585102795.db2.gz	KWLRDUUKKOTFDA-VHSXEESVSA-N	0	1	238.287	0.646	20	30		BCEDMN
N#CCCNC(=O)CN(CCCCO)C1CC1	ZINC000741253294	585111690	/nfs/dbraw/zinc/11/16/90/585111690.db2.gz	USUPOFLMSCACIA-UHFFFAOYSA-N	0	1	239.319	0.253	20	30		BCEDMN
CCN(CCCSCC#N)CC(=O)NC	ZINC000745942956	585161505	/nfs/dbraw/zinc/16/15/05/585161505.db2.gz	WIELDCOCHVISSM-UHFFFAOYSA-N	0	1	229.349	0.701	20	30		BCEDMN
C=CCN(CCN1CCCS1(=O)=O)C(C)C	ZINC000746448943	585167978	/nfs/dbraw/zinc/16/79/78/585167978.db2.gz	GDOIDRFNDYMHBX-UHFFFAOYSA-N	0	1	246.376	0.918	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@H]([C@H]2CCCO2)C1	ZINC000886832157	585181119	/nfs/dbraw/zinc/18/11/19/585181119.db2.gz	BSYGRYISZBAQBM-WDEREUQCSA-N	0	1	237.303	0.127	20	30		BCEDMN
C[C@@H](CO)NN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000749820646	585206822	/nfs/dbraw/zinc/20/68/22/585206822.db2.gz	HMRJRISMEJGGIL-VIFPVBQESA-N	0	1	245.286	0.776	20	30		BCEDMN
C[C@@H](C(=O)N1CCC(C#N)CC1)N(C)C	ZINC000750610474	585217886	/nfs/dbraw/zinc/21/78/86/585217886.db2.gz	DVLXJTNBQUKIBD-VIFPVBQESA-N	0	1	209.293	0.699	20	30		BCEDMN
N#CCCN1CCC(c2nc[nH]n2)CC1	ZINC000751500838	585231497	/nfs/dbraw/zinc/23/14/97/585231497.db2.gz	PDDASGVKGUQUJV-UHFFFAOYSA-N	0	1	205.265	0.898	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1cnccn1	ZINC000752161717	585243129	/nfs/dbraw/zinc/24/31/29/585243129.db2.gz	USZZHWJFOWETTI-MRVPVSSYSA-N	0	1	205.265	0.826	20	30		BCEDMN
C[C@@H]1CN(C)CC1N=Nc1ccnc(N(C)C)n1	ZINC000752165575	585243330	/nfs/dbraw/zinc/24/33/30/585243330.db2.gz	KUABEYBVUCYVSC-SECBINFHSA-N	0	1	248.334	0.892	20	30		BCEDMN
COc1ccnc(N=NC2CN(C)C[C@H]2C)n1	ZINC000752160285	585243451	/nfs/dbraw/zinc/24/34/51/585243451.db2.gz	ISRCVZNHJSKWED-MRVPVSSYSA-N	0	1	235.291	0.835	20	30		BCEDMN
C#CCSCCNC(=O)NCCN1CCC1	ZINC000752669717	585248699	/nfs/dbraw/zinc/24/86/99/585248699.db2.gz	AVNBMQALJIOBSQ-UHFFFAOYSA-N	0	1	241.360	0.358	20	30		BCEDMN
CCOC(=O)[C@@H](CC1CC1)NC(=O)C(C)C#N	ZINC000752722319	585248765	/nfs/dbraw/zinc/24/87/65/585248765.db2.gz	CFIXYOGMHIDPDK-WCBMZHEXSA-N	0	1	238.287	0.994	20	30		BCEDMN
C=C(C)CNC(=S)NCCN1CCC1	ZINC000752774261	585249876	/nfs/dbraw/zinc/24/98/76/585249876.db2.gz	PRLHKHNHEDVIQL-UHFFFAOYSA-N	0	1	213.350	0.732	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)NCc1cc(C)[nH]n1	ZINC000753150217	585254249	/nfs/dbraw/zinc/25/42/49/585254249.db2.gz	PJGTYPMTIDXLST-VIFPVBQESA-N	0	1	220.276	0.929	20	30		BCEDMN
C[C@@H]1CSCCN(CC(=O)NCCC#N)C1	ZINC000753837705	585270573	/nfs/dbraw/zinc/27/05/73/585270573.db2.gz	NOIFNZWRNOLSNS-JTQLQIEISA-N	0	1	241.360	0.701	20	30		BCEDMN
CCc1nc(COC(=O)CSCC#N)n[nH]1	ZINC000754775066	585290625	/nfs/dbraw/zinc/29/06/25/585290625.db2.gz	NPPRUSCSVFFPDY-UHFFFAOYSA-N	0	1	240.288	0.667	20	30		BCEDMN
CSCCC=Nn1c(=O)c(C)n[nH]c1=S	ZINC000755511939	585301160	/nfs/dbraw/zinc/30/11/60/585301160.db2.gz	ZTAFWLTZSMPZRT-UHFFFAOYSA-N	0	1	244.345	0.822	20	30		BCEDMN
COC[C@@H](C)C=Nn1c(=O)c(C)n[nH]c1=S	ZINC000755880575	585308896	/nfs/dbraw/zinc/30/88/96/585308896.db2.gz	PTBQGHYEEUVCGC-LURJTMIESA-N	0	1	242.304	0.352	20	30		BCEDMN
Cc1cc[nH+]c([N-]N=Cc2cnnn2C)c1	ZINC000755903985	585309777	/nfs/dbraw/zinc/30/97/77/585309777.db2.gz	UTZSHUBQMDXNQL-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C1CCOCC1	ZINC000756518186	585320562	/nfs/dbraw/zinc/32/05/62/585320562.db2.gz	VYXGWODEGAYBHN-WPRPVWTQSA-N	0	1	238.287	0.504	20	30		BCEDMN
C#C[C@H](N[C@@H](C)c1n[nH]c(C)n1)[C@H]1CCCO1	ZINC000839564294	585330369	/nfs/dbraw/zinc/33/03/69/585330369.db2.gz	PTKHYKFMIBBRGV-INTQDDNPSA-N	0	1	234.303	0.945	20	30		BCEDMN
N#C[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839718192	585338251	/nfs/dbraw/zinc/33/82/51/585338251.db2.gz	IJDKVGYMQMUCNI-BWZBUEFSSA-N	0	1	241.272	0.119	20	30		BCEDMN
N#CCOC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000758131826	585350075	/nfs/dbraw/zinc/35/00/75/585350075.db2.gz	GXIOMZJDYROKOC-ZETCQYMHSA-N	0	1	205.217	0.896	20	30		BCEDMN
C#CCNC(=S)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000758251513	585352799	/nfs/dbraw/zinc/35/27/99/585352799.db2.gz	LRFINLVOOLDFDN-QMMMGPOBSA-N	0	1	236.344	0.746	20	30		BCEDMN
N#CC(C(=O)C1=COCC1)c1ccncn1	ZINC000760335756	585390605	/nfs/dbraw/zinc/39/06/05/585390605.db2.gz	VKSYZDGIPBYNGC-VIFPVBQESA-N	0	1	215.212	0.957	20	30		BCEDMN
C=CCC[C@@H](O)CN1CCCNC(=O)C1	ZINC000760830576	585398213	/nfs/dbraw/zinc/39/82/13/585398213.db2.gz	IJQBINJNGMJGGG-SNVBAGLBSA-N	0	1	212.293	0.135	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1CCN(C)[C@@H](C)C1	ZINC000761074541	585405747	/nfs/dbraw/zinc/40/57/47/585405747.db2.gz	XGBJGWNFDQQURN-WDEREUQCSA-N	0	1	225.336	0.313	20	30		BCEDMN
C#CCOCCN(C)Cc1cnn(C)c1	ZINC000761107561	585409689	/nfs/dbraw/zinc/40/96/89/585409689.db2.gz	GKQHSRDETVACGP-UHFFFAOYSA-N	0	1	207.277	0.502	20	30		BCEDMN
C[C@@H]1CC(N=Nc2cccnn2)CN1C	ZINC000761812761	585418575	/nfs/dbraw/zinc/41/85/75/585418575.db2.gz	OMDMHIGRLDYTQI-MRVPVSSYSA-N	0	1	205.265	0.969	20	30		BCEDMN
COc1ccnc(N=NC2C[C@H](C)N(C)C2)n1	ZINC000761805631	585419042	/nfs/dbraw/zinc/41/90/42/585419042.db2.gz	IVTCIPMZCXFBMX-QMMMGPOBSA-N	0	1	235.291	0.977	20	30		BCEDMN
CC(C#N)C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC000762044519	585425156	/nfs/dbraw/zinc/42/51/56/585425156.db2.gz	MGYPKLKSPRYHST-RNFRBKRXSA-N	0	1	210.233	0.356	20	30		BCEDMN
C[C@H]1CC(NC(=O)c2ccncc2)=NO1	ZINC000763262312	585445338	/nfs/dbraw/zinc/44/53/38/585445338.db2.gz	XNOOLEJEESMMGJ-ZETCQYMHSA-N	0	1	205.217	0.934	20	30		BCEDMN
CC(C)COC(=O)[C@H](C)NC(=O)C(C)C#N	ZINC000765235805	585483167	/nfs/dbraw/zinc/48/31/67/585483167.db2.gz	ATHCBVVNJOSIQQ-BDAKNGLRSA-N	0	1	226.276	0.850	20	30		BCEDMN
COc1ccnc(C(=O)N=C2C[C@@H](C)ON2)c1	ZINC000765373200	585484440	/nfs/dbraw/zinc/48/44/40/585484440.db2.gz	PQLGROVFSIDDIV-SSDOTTSWSA-N	0	1	235.243	0.942	20	30		BCEDMN
Cc1cc(C(=O)N=C2C[C@H](C)ON2)nn1C	ZINC000765375826	585484458	/nfs/dbraw/zinc/48/44/58/585484458.db2.gz	KYCXNAVJZWLBRG-ZETCQYMHSA-N	0	1	222.248	0.581	20	30		BCEDMN
C[C@@H]1CC(=NC(=O)c2ccn(C)n2)NO1	ZINC000765372422	585484484	/nfs/dbraw/zinc/48/44/84/585484484.db2.gz	KTBYHSDIGPFUTL-ZCFIWIBFSA-N	0	1	208.221	0.272	20	30		BCEDMN
C#Cc1ccc(C(=O)NC2=NO[C@H](C)C2)cn1	ZINC000765377908	585484700	/nfs/dbraw/zinc/48/47/00/585484700.db2.gz	JUMJNNSGTRCRTE-MRVPVSSYSA-N	0	1	229.239	0.915	20	30		BCEDMN
Cc1ncoc1C(=O)N=C1C[C@@H](C)ON1	ZINC000765376371	585484807	/nfs/dbraw/zinc/48/48/07/585484807.db2.gz	OPACRFRWNZAGPR-RXMQYKEDSA-N	0	1	209.205	0.835	20	30		BCEDMN
Cc1nccc(C(=O)NC2=NO[C@H](C)C2)n1	ZINC000765382734	585484988	/nfs/dbraw/zinc/48/49/88/585484988.db2.gz	FPWUVKHZZBBXRY-ZCFIWIBFSA-N	0	1	220.232	0.637	20	30		BCEDMN
C#CCNC(=S)N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000765509184	585488790	/nfs/dbraw/zinc/48/87/90/585488790.db2.gz	BZLHDOMDCPDKFE-GHMZBOCLSA-N	0	1	239.388	0.909	20	30		BCEDMN
CNC(=S)NN=C1CCN2CCC[C@@H]12	ZINC000765548507	585489729	/nfs/dbraw/zinc/48/97/29/585489729.db2.gz	MAKKDBBKJYHSFA-QMMMGPOBSA-N	0	1	212.322	0.304	20	30		BCEDMN
C[C@H](C#N)CNN=C1CCN2CCC[C@H]12	ZINC000765582139	585490374	/nfs/dbraw/zinc/49/03/74/585490374.db2.gz	CAWMXEHJBAQHNB-MWLCHTKSSA-N	0	1	206.293	0.960	20	30		BCEDMN
CCCn1cc(C(=O)NC2=NO[C@H](C)C2)nn1	ZINC000767153095	585515023	/nfs/dbraw/zinc/51/50/23/585515023.db2.gz	LQJLLTONCRKDOO-SSDOTTSWSA-N	0	1	237.263	0.540	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C	ZINC000769280676	585552349	/nfs/dbraw/zinc/55/23/49/585552349.db2.gz	BWNXNQKNDSUFAC-CIUDSAMLSA-N	0	1	224.260	0.114	20	30		BCEDMN
CC#CCOC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000770520125	585575597	/nfs/dbraw/zinc/57/55/97/585575597.db2.gz	RDZFBOVFGPLALT-UHFFFAOYSA-N	0	1	222.200	0.371	20	30		BCEDMN
Cc1nc(COC(=O)c2ccc(C#N)nc2)n[nH]1	ZINC000770646156	585578981	/nfs/dbraw/zinc/57/89/81/585578981.db2.gz	AYCBSDLVQHSORU-UHFFFAOYSA-N	0	1	243.226	0.737	20	30		BCEDMN
N#CCCNC(=O)CN1CCCC2(CC2)C1	ZINC000770698990	585580382	/nfs/dbraw/zinc/58/03/82/585580382.db2.gz	FHBONWCBFKMLNI-UHFFFAOYSA-N	0	1	221.304	0.892	20	30		BCEDMN
NC(=O)CON=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000771576428	585597040	/nfs/dbraw/zinc/59/70/40/585597040.db2.gz	YHANGHAQPICZFY-UHFFFAOYSA-N	0	1	239.187	0.136	20	30		BCEDMN
CC(=NOCC(N)=O)c1cc(F)cc(F)c1O	ZINC000771578428	585597149	/nfs/dbraw/zinc/59/71/49/585597149.db2.gz	QDOFQSJOFSNLOX-UHFFFAOYSA-N	0	1	244.197	0.896	20	30		BCEDMN
C#CCCCN1CCn2c(n[nH]c2=O)C1	ZINC000771813714	585601009	/nfs/dbraw/zinc/60/10/09/585601009.db2.gz	WLCHEXULZYGVCF-UHFFFAOYSA-N	0	1	206.249	0.213	20	30		BCEDMN
C#C[C@H](NC(=O)[C@H]1CCCN1C)[C@@H]1CCCO1	ZINC000772889051	585626630	/nfs/dbraw/zinc/62/66/30/585626630.db2.gz	FYOVOCHGJLZXQY-TUAOUCFPSA-N	0	1	236.315	0.378	20	30		BCEDMN
N#C[C@@H](NC(=O)c1ncn[nH]1)c1ccc(F)cc1	ZINC000773262982	585634268	/nfs/dbraw/zinc/63/42/68/585634268.db2.gz	FPTISBRVRIXFPE-SECBINFHSA-N	0	1	245.217	0.938	20	30		BCEDMN
N#C[C@@H](NC(=O)c1nc[nH]n1)c1ccc(F)cc1	ZINC000773262982	585634269	/nfs/dbraw/zinc/63/42/69/585634269.db2.gz	FPTISBRVRIXFPE-SECBINFHSA-N	0	1	245.217	0.938	20	30		BCEDMN
CCOc1nc(C(=O)N=C2C[C@H](C)ON2)co1	ZINC000773536684	585639724	/nfs/dbraw/zinc/63/97/24/585639724.db2.gz	GBYNLOGMZRLJKN-LURJTMIESA-N	0	1	239.231	0.925	20	30		BCEDMN
C[C@@H](CC(N)=O)C(=O)Nc1cc(C#N)ccc1O	ZINC000774080607	585650009	/nfs/dbraw/zinc/65/00/09/585650009.db2.gz	IJVSCMCUVVSCBO-ZETCQYMHSA-N	0	1	247.254	0.714	20	30		BCEDMN
NC(=O)CNN=C1CCCNc2ccccc21	ZINC000774409873	585657403	/nfs/dbraw/zinc/65/74/03/585657403.db2.gz	MVDBQFZPGIKAFS-UHFFFAOYSA-N	0	1	232.287	0.671	20	30		BCEDMN
C#CCNC(=O)CN[C@H](COC)c1ccccc1	ZINC000775306648	585675223	/nfs/dbraw/zinc/67/52/23/585675223.db2.gz	YTRHEFIYCRJOGC-CYBMUJFWSA-N	0	1	246.310	0.713	20	30		BCEDMN
C#CCNC(=O)CCN[C@@H](C)c1nccn1C	ZINC000775379686	585676676	/nfs/dbraw/zinc/67/66/76/585676676.db2.gz	FEWRUQLIRWDKPK-JTQLQIEISA-N	0	1	234.303	0.210	20	30		BCEDMN
C#CC[C@H](NCC(=O)NC(N)=O)c1ccccc1	ZINC000775399710	585677570	/nfs/dbraw/zinc/67/75/70/585677570.db2.gz	TVVUNDZEXVKULF-NSHDSACASA-N	0	1	245.282	0.536	20	30		BCEDMN
C#CCNC(=O)CN(C)[C@@H](CO)CC(C)C	ZINC000775753211	585684162	/nfs/dbraw/zinc/68/41/62/585684162.db2.gz	FYANTRAMUXMBHD-LLVKDONJSA-N	0	1	226.320	0.075	20	30		BCEDMN
C#C[C@H](NCc1n[nH]c(CC)n1)[C@@H]1CCCO1	ZINC000775790605	585684741	/nfs/dbraw/zinc/68/47/41/585684741.db2.gz	QIZYKWXLKMWLIN-UWVGGRQHSA-N	0	1	234.303	0.638	20	30		BCEDMN
COc1c(O)cccc1C=NNC1=NC[C@@H](C)N1	ZINC000779792062	585763666	/nfs/dbraw/zinc/76/36/66/585763666.db2.gz	IQHFMRAHFRUQGW-MRVPVSSYSA-N	0	1	248.286	0.672	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cncc(F)c1	ZINC000779794255	585764345	/nfs/dbraw/zinc/76/43/45/585764345.db2.gz	FPBAMAQVUMYIME-ZETCQYMHSA-N	0	1	235.266	0.882	20	30		BCEDMN
Cc1ncsc1C=NNC1=NC[C@@H](C)N1	ZINC000779794277	585764513	/nfs/dbraw/zinc/76/45/13/585764513.db2.gz	GASNLSVWOGENEY-ZCFIWIBFSA-N	0	1	223.305	0.723	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc3nccn32)N1	ZINC000779800453	585764561	/nfs/dbraw/zinc/76/45/61/585764561.db2.gz	NLZHFBDVUWPPPY-VIFPVBQESA-N	0	1	242.286	0.606	20	30		BCEDMN
COc1ccccc1C=NNC1=NC[C@H](C)N1	ZINC000779799621	585764706	/nfs/dbraw/zinc/76/47/06/585764706.db2.gz	KVAACTQFCVKNDV-VIFPVBQESA-N	0	1	232.287	0.966	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@H](C)N2)cc1O	ZINC000779802235	585764847	/nfs/dbraw/zinc/76/48/47/585764847.db2.gz	CMRNCRPLNXEETN-QMMMGPOBSA-N	0	1	248.286	0.672	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc(C(N)=O)c2)N1	ZINC000779801812	585764885	/nfs/dbraw/zinc/76/48/85/585764885.db2.gz	YEMCNNJEXDLHAY-QMMMGPOBSA-N	0	1	245.286	0.057	20	30		BCEDMN
COc1ccc(C=NNC2=NC[C@H](C)N2)cn1	ZINC000780243859	585774745	/nfs/dbraw/zinc/77/47/45/585774745.db2.gz	YUWMBBQMEMUZHW-QMMMGPOBSA-N	0	1	233.275	0.361	20	30		BCEDMN
CC[C@H](C#N)OC(=O)c1cc(=O)[nH]c(OC)n1	ZINC000781208738	585793358	/nfs/dbraw/zinc/79/33/58/585793358.db2.gz	KMZUPHINGFJZMF-ZCFIWIBFSA-N	0	1	237.215	0.650	20	30		BCEDMN
C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NO	ZINC000782172325	585809279	/nfs/dbraw/zinc/80/92/79/585809279.db2.gz	QLTLPXKWJKVTED-LURJTMIESA-N	0	1	248.242	0.187	20	30		BCEDMN
C#CCOCCNC(=O)CN(CC)C1CC1	ZINC000784609135	585864814	/nfs/dbraw/zinc/86/48/14/585864814.db2.gz	AKEKPQVBDNNYBJ-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C#C[C@H](NCc1ccnc(N)c1)[C@@H]1CCCO1	ZINC000785814404	585881304	/nfs/dbraw/zinc/88/13/04/585881304.db2.gz	NBGSCCTVGWTUAI-RYUDHWBXSA-N	0	1	231.299	0.934	20	30		BCEDMN
C=C[C@H]1CCCCN1CCS(N)(=O)=O	ZINC000785998236	585885123	/nfs/dbraw/zinc/88/51/23/585885123.db2.gz	AECHNUVQUNHSSK-VIFPVBQESA-N	0	1	218.322	0.315	20	30		BCEDMN
C=CCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1	ZINC000786443279	585891567	/nfs/dbraw/zinc/89/15/67/585891567.db2.gz	IKSDAHVWLFDKAJ-LLVKDONJSA-N	0	1	226.320	0.742	20	30		BCEDMN
C[C@H](O)C(=O)Nc1cc(C#N)ccc1O	ZINC000787154221	585902212	/nfs/dbraw/zinc/90/22/12/585902212.db2.gz	HWSGNHHYFBMGBY-LURJTMIESA-N	0	1	206.201	0.583	20	30		BCEDMN
C#CC(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000787684519	585914116	/nfs/dbraw/zinc/91/41/16/585914116.db2.gz	NJFWSFRORBDTMZ-LLVKDONJSA-N	0	1	236.315	0.331	20	30		BCEDMN
CC#CC(=O)Nc1ccc2[nH]nnc2c1	ZINC000788303316	585921159	/nfs/dbraw/zinc/92/11/59/585921159.db2.gz	CPNCQYCSZRFCKX-UHFFFAOYSA-N	0	1	200.201	0.920	20	30		BCEDMN
C[C@@H]1CC(N=N[C@@H]2CCOC2)CN1C1CC1	ZINC000788449213	585924394	/nfs/dbraw/zinc/92/43/94/585924394.db2.gz	WZXPRMSPKFUWGW-NXEZZACHSA-N	0	1	223.320	0.978	20	30		BCEDMN
C#CCC1(C(=O)NCc2nn[nH]n2)CCCCC1	ZINC000788510443	585926070	/nfs/dbraw/zinc/92/60/70/585926070.db2.gz	DDXCJTGCSXRWGB-UHFFFAOYSA-N	0	1	247.302	0.790	20	30		BCEDMN
C=C1CCN(C(=O)c2[nH]nnc2C)CC1	ZINC000789935692	585954299	/nfs/dbraw/zinc/95/42/99/585954299.db2.gz	PRJIGNBAFMAKGW-UHFFFAOYSA-N	0	1	206.249	0.905	20	30		BCEDMN
CCN(C)c1ccc(C=NN[C@H](C)CO)cn1	ZINC000790167306	585958951	/nfs/dbraw/zinc/95/89/51/585958951.db2.gz	QQSBWMORKSBHMY-SNVBAGLBSA-N	0	1	236.319	0.842	20	30		BCEDMN
CCN(C)c1ccc(C=NN[C@@H](C)CO)cn1	ZINC000790167305	585958988	/nfs/dbraw/zinc/95/89/88/585958988.db2.gz	QQSBWMORKSBHMY-JTQLQIEISA-N	0	1	236.319	0.842	20	30		BCEDMN
N#Cc1cc(C(=O)Nc2c[nH]nn2)c[nH]1	ZINC000791231080	585975413	/nfs/dbraw/zinc/97/54/13/585975413.db2.gz	WOKBRPHEVSTLHU-UHFFFAOYSA-N	0	1	202.177	0.257	20	30		BCEDMN
C=C(CN(C)C)C(=O)N(C)[C@@H](C)C[S@@](C)=O	ZINC000791393183	585980179	/nfs/dbraw/zinc/98/01/79/585980179.db2.gz	AKILQZDPHJAEQZ-MGPLVRAMSA-N	0	1	246.376	0.330	20	30		BCEDMN
C#CCN(C)CCCCS(C)(=O)=O	ZINC000792298468	585999384	/nfs/dbraw/zinc/99/93/84/585999384.db2.gz	LSGREZKKTMBKKF-UHFFFAOYSA-N	0	1	203.307	0.376	20	30		BCEDMN
C#C[C@@H](NC(=O)CCc1cnc[nH]1)[C@@H]1CCCO1	ZINC000793855884	586027960	/nfs/dbraw/zinc/02/79/60/586027960.db2.gz	MJFOJYSNTDKVOE-NEPJUHHUSA-N	0	1	247.298	0.639	20	30		BCEDMN
Cc1ccncc1C=NNC1=NC[C@@H](C)N1	ZINC000794529374	586042295	/nfs/dbraw/zinc/04/22/95/586042295.db2.gz	CMCDLYRAIJQABS-SECBINFHSA-N	0	1	217.276	0.661	20	30		BCEDMN
Cn1cnc(C=NNc2cnn(C)c2)c1	ZINC000794537413	586042666	/nfs/dbraw/zinc/04/26/66/586042666.db2.gz	HOYBWLKTERNXDQ-UHFFFAOYSA-N	0	1	204.237	0.600	20	30		BCEDMN
COCCCNN=C1CCN2CCC[C@H]12	ZINC000794542640	586043283	/nfs/dbraw/zinc/04/32/83/586043283.db2.gz	SLTBFISAZULECW-LLVKDONJSA-N	0	1	211.309	0.837	20	30		BCEDMN
COCc1cc(C=NNC2=NC[C@H](C)N2)no1	ZINC000794926584	586055372	/nfs/dbraw/zinc/05/53/72/586055372.db2.gz	BLXDZOOVYQVHSZ-ZETCQYMHSA-N	0	1	237.263	0.092	20	30		BCEDMN
C=C(C)[C@H](CO)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1	ZINC000794975144	586060424	/nfs/dbraw/zinc/06/04/24/586060424.db2.gz	WUGTZCJFBDWVFY-ZRUFSTJUSA-N	0	1	225.288	0.274	20	30		BCEDMN
COCCCON=C1CN(C)C[C@H]1C	ZINC000795041664	586066227	/nfs/dbraw/zinc/06/62/27/586066227.db2.gz	FOMQTKCZWSIBJE-SECBINFHSA-N	0	1	200.282	0.977	20	30		BCEDMN
N#C[C@@H]1CN(Cc2cnc[nH]2)CCN1C1CC1	ZINC000796445070	586103273	/nfs/dbraw/zinc/10/32/73/586103273.db2.gz	JJVOGRJGWVUBTG-GFCCVEGCSA-N	0	1	231.303	0.582	20	30		BCEDMN
C=CCOCCOC(=O)CCc1nc[nH]n1	ZINC000797310937	586125427	/nfs/dbraw/zinc/12/54/27/586125427.db2.gz	BPBMEKMKCGJZRR-UHFFFAOYSA-N	0	1	225.248	0.483	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)[C@H]1CCCCN1C	ZINC000799070771	586155507	/nfs/dbraw/zinc/15/55/07/586155507.db2.gz	SJCWVAHNBFKNPO-VXGBXAGGSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCCN1C	ZINC000799070692	586155630	/nfs/dbraw/zinc/15/56/30/586155630.db2.gz	SJCWVAHNBFKNPO-NEPJUHHUSA-N	0	1	238.331	0.361	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)Cc1cc(C)n[nH]1	ZINC000799080644	586156029	/nfs/dbraw/zinc/15/60/29/586156029.db2.gz	KSLBHPNZHIIXTO-NSHDSACASA-N	0	1	235.287	0.151	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCCCN1C	ZINC000799086063	586156243	/nfs/dbraw/zinc/15/62/43/586156243.db2.gz	BSNDBVXZRKNUHA-NSHDSACASA-N	0	1	219.288	0.456	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@H]1CCCCN1C	ZINC000799086062	586156377	/nfs/dbraw/zinc/15/63/77/586156377.db2.gz	BSNDBVXZRKNUHA-LLVKDONJSA-N	0	1	219.288	0.456	20	30		BCEDMN
Cc1cc(NNC2=CC(=O)N3CCC[C@@H]23)ncn1	ZINC000799480055	586178923	/nfs/dbraw/zinc/17/89/23/586178923.db2.gz	FIBASCUSWCPXKB-JTQLQIEISA-N	0	1	245.286	0.948	20	30		BCEDMN
CC(=NNC1=NC[C@H](C)N1)c1cnoc1C	ZINC000799485521	586179399	/nfs/dbraw/zinc/17/93/99/586179399.db2.gz	QVQWBGTVCXSTQV-LURJTMIESA-N	0	1	221.264	0.644	20	30		BCEDMN
O=C(NO)c1n[nH]nc1-c1ccccc1	ZINC000801602487	586265964	/nfs/dbraw/zinc/26/59/64/586265964.db2.gz	KLMYXSVRSQLCOR-UHFFFAOYSA-N	0	1	204.189	0.591	20	30		BCEDMN
C[C@H](C#N)OCCN(CCO)Cc1cccnc1	ZINC000801929030	586278437	/nfs/dbraw/zinc/27/84/37/586278437.db2.gz	OJUROXGKHOUKGA-GFCCVEGCSA-N	0	1	249.314	0.805	20	30		BCEDMN
C[C@H](C#N)OCCN1CCCC[C@]1(C)C(N)=O	ZINC000801940355	586280161	/nfs/dbraw/zinc/28/01/61/586280161.db2.gz	AEULURGBCGDCNF-ZYHUDNBSSA-N	0	1	239.319	0.645	20	30		BCEDMN
N#CC(C(=O)CCn1ccnn1)c1ccccn1	ZINC000802040766	586286742	/nfs/dbraw/zinc/28/67/42/586286742.db2.gz	RFMFFCMRVQALDC-JTQLQIEISA-N	0	1	241.254	0.940	20	30		BCEDMN
C=CCNC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C	ZINC000806277582	586408770	/nfs/dbraw/zinc/40/87/70/586408770.db2.gz	DFCITMNESAFVHU-WDEREUQCSA-N	0	1	241.335	0.269	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCc1cc(C)[nH]n1	ZINC000806855170	586419589	/nfs/dbraw/zinc/41/95/89/586419589.db2.gz	BBLWYNMUKGSHJE-UHFFFAOYSA-N	0	1	229.283	0.997	20	30		BCEDMN
C#CCC(CC#C)C(=O)NCc1cnc[nH]1	ZINC000806896912	586420400	/nfs/dbraw/zinc/42/04/00/586420400.db2.gz	CBZKSMQOAAVSJQ-UHFFFAOYSA-N	0	1	215.256	0.689	20	30		BCEDMN
C(=NNCCN1CCCCC1)c1cnccn1	ZINC000807964739	586453296	/nfs/dbraw/zinc/45/32/96/586453296.db2.gz	TZNMSBKKFYDOLC-UHFFFAOYSA-N	0	1	233.319	0.886	20	30		BCEDMN
C#Cc1ccc(CN(C)[C@@H]2CCNC2=O)cc1	ZINC000809595020	586508783	/nfs/dbraw/zinc/50/87/83/586508783.db2.gz	FBHNPNMWUAUBER-CYBMUJFWSA-N	0	1	228.295	0.988	20	30		BCEDMN
CCc1cc(CNC(=O)C=NOC)n[nH]1	ZINC000809678493	586511417	/nfs/dbraw/zinc/51/14/17/586511417.db2.gz	DFMASRBYLCQYTO-UHFFFAOYSA-N	0	1	210.237	0.221	20	30		BCEDMN
CON=CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1	ZINC000809722230	586515012	/nfs/dbraw/zinc/51/50/12/586515012.db2.gz	PUQQSPRHAAQWEQ-UHFFFAOYSA-N	0	1	249.230	0.944	20	30		BCEDMN
C#CCCCNS(=O)(=O)CCN(CC)CC	ZINC000810053313	586532389	/nfs/dbraw/zinc/53/23/89/586532389.db2.gz	KCSARZIQZQWLMW-UHFFFAOYSA-N	0	1	246.376	0.661	20	30		BCEDMN
C#CCONC(=O)c1ccc2cncn2c1	ZINC000812786429	586584463	/nfs/dbraw/zinc/58/44/63/586584463.db2.gz	JRIMZWBIVAGXDU-UHFFFAOYSA-N	0	1	215.212	0.629	20	30		BCEDMN
CCN(CC(=O)NCCC#N)C[C@H](C)OC	ZINC000812909262	586588960	/nfs/dbraw/zinc/58/89/60/586588960.db2.gz	TZYLDTQOKKHZSN-JTQLQIEISA-N	0	1	227.308	0.373	20	30		BCEDMN
CC(C)(O)C[NH+]1CCC(=Nn2cnnc2)CC1	ZINC000814212140	586617847	/nfs/dbraw/zinc/61/78/47/586617847.db2.gz	FNROPMXRLJCHJE-UHFFFAOYSA-N	0	1	237.307	0.349	20	30		BCEDMN
Cn1cc(C=NNc2cnccn2)c(=O)[nH]1	ZINC000814217290	586618008	/nfs/dbraw/zinc/61/80/08/586618008.db2.gz	AKMITRDIICYKFY-UHFFFAOYSA-N	0	1	218.220	0.362	20	30		BCEDMN
Cn1nccc1-c1ccccc1C=NNC(=N)N	ZINC000814217759	586618053	/nfs/dbraw/zinc/61/80/53/586618053.db2.gz	MMTYTWGUQXTUAI-UHFFFAOYSA-N	0	1	242.286	0.904	20	30		BCEDMN
Cc1nn(C)c(N)c1CN=Nc1cnccn1	ZINC000814797444	586635018	/nfs/dbraw/zinc/63/50/18/586635018.db2.gz	OINDOBWGRZDHDJ-UHFFFAOYSA-N	0	1	231.263	0.547	20	30		BCEDMN
Cc1cccc(C=NNC2=NC[C@H](C)N2)c1O	ZINC000814898172	586645570	/nfs/dbraw/zinc/64/55/70/586645570.db2.gz	RCXDWYKXGHHXQB-VIFPVBQESA-N	0	1	232.287	0.972	20	30		BCEDMN
Cc1cccnc1NN=Cc1cnn(C)n1	ZINC000814911445	586649123	/nfs/dbraw/zinc/64/91/23/586649123.db2.gz	ICENPWGBHUYETC-UHFFFAOYSA-N	0	1	216.248	0.965	20	30		BCEDMN
CC(=NNCC(C)(C)CO)c1ccc(N)nc1	ZINC000814922595	586651541	/nfs/dbraw/zinc/65/15/41/586651541.db2.gz	OZUCVXFYLNUTST-UHFFFAOYSA-N	0	1	236.319	0.996	20	30		BCEDMN
CN(C)c1ncc(C=[NH+][N-]c2ncn[nH]2)cn1	ZINC000814931804	586653525	/nfs/dbraw/zinc/65/35/25/586653525.db2.gz	GAXANWHJHDYYKU-UHFFFAOYSA-N	0	1	232.251	0.107	20	30		BCEDMN
C[C@H](O)CNN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000814961638	586659804	/nfs/dbraw/zinc/65/98/04/586659804.db2.gz	OMHWLEDGXAIFLF-VIFPVBQESA-N	0	1	245.286	0.776	20	30		BCEDMN
COc1ccc(CN=Nc2cnnn2C)cc1O	ZINC000814981416	586663148	/nfs/dbraw/zinc/66/31/48/586663148.db2.gz	HBQYWRGVVXHYNF-UHFFFAOYSA-N	0	1	247.258	0.975	20	30		BCEDMN
CC(N=Nc1cnnn1C)c1cn[nH]c1	ZINC000814982804	586663301	/nfs/dbraw/zinc/66/33/01/586663301.db2.gz	PDAXSAJJRUJURD-UHFFFAOYSA-N	0	1	205.225	0.374	20	30		BCEDMN
Cn1nncc1NN=Cc1ncc(Cl)n1C	ZINC000814982629	586663611	/nfs/dbraw/zinc/66/36/11/586663611.db2.gz	IQRQJVJGSBLCKU-UHFFFAOYSA-N	0	1	239.670	0.648	20	30		BCEDMN
CN(CCOCCC#N)[C@@H]1CCCCNC1=O	ZINC000815037664	586664626	/nfs/dbraw/zinc/66/46/26/586664626.db2.gz	RSPKQDWBENKYLP-LLVKDONJSA-N	0	1	239.319	0.517	20	30		BCEDMN
CCN(CC(=O)NC)[C@H]1CC[C@H](C#N)C1	ZINC000815020917	586664648	/nfs/dbraw/zinc/66/46/48/586664648.db2.gz	HBPMISWGDMBEDX-UWVGGRQHSA-N	0	1	209.293	0.747	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F	ZINC000815912093	586697236	/nfs/dbraw/zinc/69/72/36/586697236.db2.gz	YZVMRYZBVGSKEZ-RITPCOANSA-N	0	1	218.203	0.733	20	30		BCEDMN
C#CC[C@H](CO)NC(=O)CN1CCC(C)CC1	ZINC000816672531	586754170	/nfs/dbraw/zinc/75/41/70/586754170.db2.gz	CKGXKVFTXDZAMT-GFCCVEGCSA-N	0	1	238.331	0.219	20	30		BCEDMN
C=CCC[C@@H](O)C[N@@H+](C)CCC(=O)[O-]	ZINC000817681151	586817535	/nfs/dbraw/zinc/81/75/35/586817535.db2.gz	ZYGAZCUNXOUWDZ-SECBINFHSA-N	0	1	201.266	0.720	20	30		BCEDMN
C#CCOCCN1CCC[C@@H]1c1ccc(=O)[nH]n1	ZINC000859887063	589068595	/nfs/dbraw/zinc/06/85/95/589068595.db2.gz	CHGXSOLCRDNPPM-GFCCVEGCSA-N	0	1	247.298	0.969	20	30		BCEDMN
C[N@@H+](CCC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1	ZINC000818463104	586891844	/nfs/dbraw/zinc/89/18/44/586891844.db2.gz	YUSSTJHSQRUDPS-GFCCVEGCSA-N	0	1	248.282	0.998	20	30		BCEDMN
CON=CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000818625969	586908180	/nfs/dbraw/zinc/90/81/80/586908180.db2.gz	AOCIMAXUKWRBNZ-DTORHVGOSA-N	0	1	213.281	0.170	20	30		BCEDMN
C#CCOCCC(=O)O[C@@H](C)c1n[nH]c(C)n1	ZINC000840367185	586911491	/nfs/dbraw/zinc/91/14/91/586911491.db2.gz	BTFSFCUMICSSGI-QMMMGPOBSA-N	0	1	237.259	0.757	20	30		BCEDMN
C=C(CO)C(=O)N1CCN(C)C[C@@H]1CC	ZINC000818970214	586918069	/nfs/dbraw/zinc/91/80/69/586918069.db2.gz	DIJURDZXRGHGRX-JTQLQIEISA-N	0	1	212.293	0.088	20	30		BCEDMN
C#CCNC(=O)CCNCc1ccc(F)cn1	ZINC000819167350	586934763	/nfs/dbraw/zinc/93/47/63/586934763.db2.gz	APBVOXWQILHUIQ-UHFFFAOYSA-N	0	1	235.262	0.450	20	30		BCEDMN
CC(C)OCC[C@H](O)CNCCC#N	ZINC000819269358	586945293	/nfs/dbraw/zinc/94/52/93/586945293.db2.gz	GKMPHNPGPNSXCM-JTQLQIEISA-N	0	1	200.282	0.666	20	30		BCEDMN
CON(C)C(=O)CCNCc1ccc(C#N)cn1	ZINC000819311980	586950295	/nfs/dbraw/zinc/95/02/95/586950295.db2.gz	NCFNQNYCZJSMIN-UHFFFAOYSA-N	0	1	248.286	0.453	20	30		BCEDMN
C#CCNC(=O)CCN[C@H]1CCn2ccnc21	ZINC000819338264	586954007	/nfs/dbraw/zinc/95/40/07/586954007.db2.gz	ZDBQSVIFKIUGGJ-JTQLQIEISA-N	0	1	232.287	0.057	20	30		BCEDMN
C#Cc1cccc(CNCCS(C)(=O)=O)c1	ZINC000819356631	586956311	/nfs/dbraw/zinc/95/63/11/586956311.db2.gz	HQUUPHSISLXDOL-UHFFFAOYSA-N	0	1	237.324	0.802	20	30		BCEDMN
C#CCC[NH+]1CCN(CCCCC(=O)[O-])CC1	ZINC000819700675	586986438	/nfs/dbraw/zinc/98/64/38/586986438.db2.gz	CESGXEJYWJTASG-UHFFFAOYSA-N	0	1	238.331	0.882	20	30		BCEDMN
C#CCCC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819700954	586987241	/nfs/dbraw/zinc/98/72/41/586987241.db2.gz	SNJUKWAOPWAKAA-SNVBAGLBSA-N	0	1	240.303	0.311	20	30		BCEDMN
C=C(CC)C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819706104	586987738	/nfs/dbraw/zinc/98/77/38/586987738.db2.gz	OOPBEXBVRCKPTB-JTQLQIEISA-N	0	1	242.319	0.864	20	30		BCEDMN
C[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)N(C)CCC#N	ZINC000819889211	587000899	/nfs/dbraw/zinc/00/08/99/587000899.db2.gz	NNSLRAHCJWPWDT-VIFPVBQESA-N	0	1	241.291	0.153	20	30		BCEDMN
CC(C)C#CC(=O)NCCN1CCN(C)CC1	ZINC000820109999	587022572	/nfs/dbraw/zinc/02/25/72/587022572.db2.gz	MAENIRVZWYHIEW-UHFFFAOYSA-N	0	1	237.347	0.009	20	30		BCEDMN
C#CCN(CC#CC)C(=O)[C@@H]1CCCCN1C	ZINC000820317940	587043648	/nfs/dbraw/zinc/04/36/48/587043648.db2.gz	WVDROGKYXQSBNF-ZDUSSCGKSA-N	0	1	232.327	0.956	20	30		BCEDMN
C#C[C@H](C)NC(=O)NCc1n[nH]c(C2CC2)n1	ZINC000820398957	587046062	/nfs/dbraw/zinc/04/60/62/587046062.db2.gz	AISDMHNJGJSODQ-ZETCQYMHSA-N	0	1	233.275	0.503	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1	ZINC000820423780	587047924	/nfs/dbraw/zinc/04/79/24/587047924.db2.gz	WNGXSLBPFHWVJS-YUMQZZPRSA-N	0	1	235.291	0.749	20	30		BCEDMN
C#C[C@H](C)NC(=O)N1CCN(C)C[C@H]1C(C)C	ZINC000820428687	587048257	/nfs/dbraw/zinc/04/82/57/587048257.db2.gz	REZHZFPLMKVDTI-RYUDHWBXSA-N	0	1	237.347	0.990	20	30		BCEDMN
C#CCN[C@H]1CCO[C@H]1c1nc(C)no1	ZINC000860156358	589082898	/nfs/dbraw/zinc/08/28/98/589082898.db2.gz	LNVOORIXNGIYFO-DTWKUNHWSA-N	0	1	207.233	0.431	20	30		BCEDMN
C=CCCOCCNC(=O)CN1CCCC1	ZINC000821335519	587108335	/nfs/dbraw/zinc/10/83/35/587108335.db2.gz	XNTLDSSZLAYSIP-UHFFFAOYSA-N	0	1	226.320	0.791	20	30		BCEDMN
C[C@@H]1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)=NO1	ZINC000821395521	587116729	/nfs/dbraw/zinc/11/67/29/587116729.db2.gz	WVEDMJHNEBLBFT-BWZBUEFSSA-N	0	1	234.259	0.752	20	30		BCEDMN
O=C([O-])CCNN=C1CC[N@H+]2CCC[C@H]12	ZINC000821524442	587125637	/nfs/dbraw/zinc/12/56/37/587125637.db2.gz	BDBNAOGRDGQYJF-SECBINFHSA-N	0	1	211.265	0.275	20	30		BCEDMN
C=CCONC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000821892007	587145900	/nfs/dbraw/zinc/14/59/00/587145900.db2.gz	ULMAQLRHISBQGE-KGDYZURWSA-N	0	1	209.245	0.644	20	30		BCEDMN
C#C[C@@H](NC(=O)[C@@H](C)N(C)C)[C@H]1CCCO1	ZINC000822073789	587151281	/nfs/dbraw/zinc/15/12/81/587151281.db2.gz	UGMXJZMRDDEEEL-GMTAPVOTSA-N	0	1	224.304	0.234	20	30		BCEDMN
N#C[C@@]1(F)CCN(C(=O)CN2CCCC2)C1	ZINC000822325173	587162186	/nfs/dbraw/zinc/16/21/86/587162186.db2.gz	WWCJPNNQCJHWCN-NSHDSACASA-N	0	1	225.267	0.546	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000822679232	587180727	/nfs/dbraw/zinc/18/07/27/587180727.db2.gz	FGHYVUILIGORAP-NXEZZACHSA-N	0	1	228.255	0.499	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCN1C1CCCC1	ZINC000822679408	587180970	/nfs/dbraw/zinc/18/09/70/587180970.db2.gz	HSVMWFBHHVQMBN-ZDUSSCGKSA-N	0	1	245.326	0.989	20	30		BCEDMN
C#C[C@@H](NC(=O)CCCc1nn[nH]n1)C(C)(C)C	ZINC000822959802	587195538	/nfs/dbraw/zinc/19/55/38/587195538.db2.gz	WEEJZDCYJQMPLN-SECBINFHSA-N	0	1	249.318	0.687	20	30		BCEDMN
C=C(C)C[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480546	587224840	/nfs/dbraw/zinc/22/48/40/587224840.db2.gz	GDHOWHZXEUWDIZ-VHSXEESVSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=C(C)C[N@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823480546	587224842	/nfs/dbraw/zinc/22/48/42/587224842.db2.gz	GDHOWHZXEUWDIZ-VHSXEESVSA-N	0	1	228.292	0.919	20	30		BCEDMN
C=CCC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[O-])C1	ZINC000823497134	587227428	/nfs/dbraw/zinc/22/74/28/587227428.db2.gz	WMWUOQQYQCDMSQ-QWRGUYRKSA-N	0	1	242.319	0.998	20	30		BCEDMN
C=C(C)CONC(=O)Cc1cn(CC)nn1	ZINC000824028817	587249637	/nfs/dbraw/zinc/24/96/37/587249637.db2.gz	TZAGRAOPBZRWKU-UHFFFAOYSA-N	0	1	224.264	0.464	20	30		BCEDMN
CC(C)CCn1cnc(-c2nn[nH]n2)c1C#N	ZINC000824249853	587262853	/nfs/dbraw/zinc/26/28/53/587262853.db2.gz	VSVPZZJODVKNFM-UHFFFAOYSA-N	0	1	231.263	0.981	20	30		BCEDMN
C#CCO[N-]C(=O)[C@H]1CC[N@H+]1C1CCCC1	ZINC000824484128	587271705	/nfs/dbraw/zinc/27/17/05/587271705.db2.gz	UGSZGBBIBBRMRA-LLVKDONJSA-N	0	1	222.288	0.684	20	30		BCEDMN
C#CCCN(CCOC)C(=O)[C@@H](C)N(C)C	ZINC000824749006	587285627	/nfs/dbraw/zinc/28/56/27/587285627.db2.gz	SKUVWGYLUOGZNK-LLVKDONJSA-N	0	1	226.320	0.435	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)[C@@H](C)N(C)C)C1	ZINC000824870695	587291651	/nfs/dbraw/zinc/29/16/51/587291651.db2.gz	XNTOXXCLKAWAKG-MNOVXSKESA-N	0	1	208.305	0.808	20	30		BCEDMN
C#CC[C@H](CCOC)NC(=O)CN1CCCC1	ZINC000825080796	587303168	/nfs/dbraw/zinc/30/31/68/587303168.db2.gz	WZKFXZCFYSJRGB-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
C#CCC[N@H+](CC(=O)[O-])C1CCOCC1	ZINC000825605884	587326985	/nfs/dbraw/zinc/32/69/85/587326985.db2.gz	WRHLNQSVOMQXNM-UHFFFAOYSA-N	0	1	211.261	0.575	20	30		BCEDMN
C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825664488	587330289	/nfs/dbraw/zinc/33/02/89/587330289.db2.gz	BLFPJFDXOZZUKI-MWLCHTKSSA-N	0	1	231.267	0.812	20	30		BCEDMN
CCc1cc(CNc2ncncc2C#N)n[nH]1	ZINC000825748006	587336233	/nfs/dbraw/zinc/33/62/33/587336233.db2.gz	HKYPDKHISLRFPI-UHFFFAOYSA-N	0	1	228.259	0.668	20	30		BCEDMN
C=C[C@H](O)C(=O)NCc1cc(CC)[nH]n1	ZINC000827425449	587380768	/nfs/dbraw/zinc/38/07/68/587380768.db2.gz	PETQLZZMLKCUKY-VIFPVBQESA-N	0	1	209.249	0.135	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@@H](C(C)C)C1	ZINC000827491319	587382771	/nfs/dbraw/zinc/38/27/71/587382771.db2.gz	NXSTYZKCRKTUAX-SNVBAGLBSA-N	0	1	227.308	0.417	20	30		BCEDMN
C#C[C@H](NCc1cnnn1CC)C1CCOCC1	ZINC000827554219	587387667	/nfs/dbraw/zinc/38/76/67/587387667.db2.gz	AZBPXTSOSZWFMS-ZDUSSCGKSA-N	0	1	248.330	0.816	20	30		BCEDMN
C#C[C@@H](NCc1cnnn1C)C1CCOCC1	ZINC000827564618	587388601	/nfs/dbraw/zinc/38/86/01/587388601.db2.gz	DVGHOSMSKNGRLD-GFCCVEGCSA-N	0	1	234.303	0.333	20	30		BCEDMN
CC(C)C1(C(=O)NCC#CCN(C)C)COC1	ZINC000827971647	587413850	/nfs/dbraw/zinc/41/38/50/587413850.db2.gz	CSRLTCRRRYWKPK-UHFFFAOYSA-N	0	1	238.331	0.340	20	30		BCEDMN
CN(C)CC#CCNC(=O)c1cncc(C=O)c1	ZINC000827971830	587413997	/nfs/dbraw/zinc/41/39/97/587413997.db2.gz	IWXVDNYFCRYWDX-UHFFFAOYSA-N	0	1	245.282	0.189	20	30		BCEDMN
C=C(Cl)CNC(=O)C1(N(C)C)CC1	ZINC000828213932	587424564	/nfs/dbraw/zinc/42/45/64/587424564.db2.gz	RWKOAGKRLKIKQS-UHFFFAOYSA-N	0	1	202.685	0.949	20	30		BCEDMN
C[N@@H+](CCCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000828277940	587430698	/nfs/dbraw/zinc/43/06/98/587430698.db2.gz	IEZLFLPQZJNGMU-VIFPVBQESA-N	0	1	211.265	0.974	20	30		BCEDMN
C#C[C@H](NC[C@@](C)(O)C(C)=O)[C@H]1CCCO1	ZINC000828954887	587475430	/nfs/dbraw/zinc/47/54/30/587475430.db2.gz	YBWZIBIAORNGFN-QJPTWQEYSA-N	0	1	225.288	0.097	20	30		BCEDMN
N#CC(C(=O)NC1CC1)C(=O)C12CC(C1)C2	ZINC000860473702	589101946	/nfs/dbraw/zinc/10/19/46/589101946.db2.gz	QDBZXMPWIHGQDO-AZOHRERUSA-N	0	1	218.256	0.774	20	30		BCEDMN
CC(C)C#CC(=O)N[C@H](C)c1nnc[nH]1	ZINC000829335068	587493608	/nfs/dbraw/zinc/49/36/08/587493608.db2.gz	MQEDWAAFDNNOAY-MRVPVSSYSA-N	0	1	206.249	0.641	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@@H](c2cccnc2)C1	ZINC000829500425	587500673	/nfs/dbraw/zinc/50/06/73/587500673.db2.gz	LOOIUAMBKPKTID-CYBMUJFWSA-N	0	1	243.310	0.620	20	30		BCEDMN
C#CCNC(=O)CN1CC[C@H](c2cccnc2)C1	ZINC000829500427	587500809	/nfs/dbraw/zinc/50/08/09/587500809.db2.gz	LOOIUAMBKPKTID-ZDUSSCGKSA-N	0	1	243.310	0.620	20	30		BCEDMN
CN(C)CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000829511864	587501590	/nfs/dbraw/zinc/50/15/90/587501590.db2.gz	AMEYIRFLACPIEK-CYBMUJFWSA-N	0	1	243.310	0.703	20	30		BCEDMN
Cc1conc1C(=O)N=C1C[C@@H](C)ON1	ZINC000867062640	587502172	/nfs/dbraw/zinc/50/21/72/587502172.db2.gz	GKCYLBAOFQXLCS-ZCFIWIBFSA-N	0	1	209.205	0.835	20	30		BCEDMN
CN1CC(C(=O)N[C@H](C#N)C(C)(C)C)=NC1=O	ZINC000829736514	587512446	/nfs/dbraw/zinc/51/24/46/587512446.db2.gz	SAKMLIVAOUDRJN-MRVPVSSYSA-N	0	1	236.275	0.794	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@H]2CCOC2)CC1	ZINC000830162610	587539842	/nfs/dbraw/zinc/53/98/42/587539842.db2.gz	MFHCIXUQSHKJOF-NSHDSACASA-N	0	1	236.315	0.237	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CCN2CCC1CC2	ZINC000830156733	587539937	/nfs/dbraw/zinc/53/99/37/587539937.db2.gz	XEYYELBKDVJWOL-LLVKDONJSA-N	0	1	236.315	0.331	20	30		BCEDMN
C#CC1CCN(CC(=O)NCCCOC)CC1	ZINC000830305787	587545458	/nfs/dbraw/zinc/54/54/58/587545458.db2.gz	VDBSTSYNWVXADT-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=C(Br)Cn1nnnc1CN	ZINC000830463942	587552427	/nfs/dbraw/zinc/55/24/27/587552427.db2.gz	XWGGBKWFLWEZLZ-UHFFFAOYSA-N	0	1	218.058	0.040	20	30		BCEDMN
CCN(CCSC)CC(=O)NCCC#N	ZINC000830993721	587580684	/nfs/dbraw/zinc/58/06/84/587580684.db2.gz	AMDVLUSFWJZFJL-UHFFFAOYSA-N	0	1	229.349	0.701	20	30		BCEDMN
C=CCOCCNC(=O)C1=NC(=O)N(C)C1	ZINC000831906484	587636504	/nfs/dbraw/zinc/63/65/04/587636504.db2.gz	DJKPRLAAJQVYHR-UHFFFAOYSA-N	0	1	225.248	0.058	20	30		BCEDMN
C#CCNC(=O)CN1CCC[C@]2(CCOC2)C1	ZINC000832332322	587654762	/nfs/dbraw/zinc/65/47/62/587654762.db2.gz	IFAOSKRXUUEUAX-ZDUSSCGKSA-N	0	1	236.315	0.238	20	30		BCEDMN
C#CCO[C@H](C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21	ZINC000832697892	587678391	/nfs/dbraw/zinc/67/83/91/587678391.db2.gz	JKQWVXHKTZYMOZ-IJLUTSLNSA-N	0	1	236.315	0.187	20	30		BCEDMN
CC(C)C#CC(=O)NCCN1CCCOCC1	ZINC000832706843	587678687	/nfs/dbraw/zinc/67/86/87/587678687.db2.gz	AIEBDHZDWFRXGK-UHFFFAOYSA-N	0	1	238.331	0.484	20	30		BCEDMN
C=CCCN(C)C(=O)C1=NC(=O)N(C)C1	ZINC000832797010	587690591	/nfs/dbraw/zinc/69/05/91/587690591.db2.gz	ANNVRBXYGFTCII-UHFFFAOYSA-N	0	1	209.249	0.774	20	30		BCEDMN
C#CCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833362242	587707442	/nfs/dbraw/zinc/70/74/42/587707442.db2.gz	HKHIDFNWUKTBGB-WDEREUQCSA-N	0	1	225.288	0.964	20	30		BCEDMN
C#CCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833362363	587708171	/nfs/dbraw/zinc/70/81/71/587708171.db2.gz	OFHACFRXUHTIAE-NXEZZACHSA-N	0	1	211.261	0.574	20	30		BCEDMN
C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000833368669	587709368	/nfs/dbraw/zinc/70/93/68/587709368.db2.gz	PBBDDZBXQSRBTH-UWVGGRQHSA-N	0	1	213.277	0.720	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000833368227	587709416	/nfs/dbraw/zinc/70/94/16/587709416.db2.gz	DAMIQKYFTVLASH-NXEZZACHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000833368227	587709417	/nfs/dbraw/zinc/70/94/17/587709417.db2.gz	DAMIQKYFTVLASH-NXEZZACHSA-N	0	1	229.276	0.099	20	30		BCEDMN
C=CCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373830	587710623	/nfs/dbraw/zinc/71/06/23/587710623.db2.gz	FBVZDUCDWHKUFP-UWVGGRQHSA-N	0	1	241.287	0.901	20	30		BCEDMN
C=CCC[N@H+](C)[C@@H](COCC)C(=O)[O-]	ZINC000833374219	587710923	/nfs/dbraw/zinc/71/09/23/587710923.db2.gz	UYPDPABTPZXUCK-VIFPVBQESA-N	0	1	201.266	0.984	20	30		BCEDMN
C#CC[N@H+]1CC[C@H](NC(=O)[O-])[C@H](CC)C1	ZINC000833787731	587731447	/nfs/dbraw/zinc/73/14/47/587731447.db2.gz	ZAJZPVOBJFLYES-ZJUUUORDSA-N	0	1	210.277	0.988	20	30		BCEDMN
C#CCC[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787644	587731766	/nfs/dbraw/zinc/73/17/66/587731766.db2.gz	WOPQWCHURDYUHI-NXEZZACHSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#CCC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787644	587731768	/nfs/dbraw/zinc/73/17/68/587731768.db2.gz	WOPQWCHURDYUHI-NXEZZACHSA-N	0	1	226.276	0.367	20	30		BCEDMN
C#C[C@@H](CC)NC(=O)[C@@H]1CCCc2n[nH]nc21	ZINC000834385310	587754125	/nfs/dbraw/zinc/75/41/25/587754125.db2.gz	DIAAPXDJTAMIKD-DTWKUNHWSA-N	0	1	232.287	0.753	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C(F)(F)F	ZINC000834479577	587755572	/nfs/dbraw/zinc/75/55/72/587755572.db2.gz	GGCMCORXDUXTSZ-QYNIQEEDSA-N	0	1	235.209	0.413	20	30		BCEDMN
CO[C@H](C)CCC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834500339	587755966	/nfs/dbraw/zinc/75/59/66/587755966.db2.gz	SENPHXQEOLARSK-UTLUCORTSA-N	0	1	225.292	0.029	20	30		BCEDMN
Cc1nc(C)c(C(=O)N[C@H]2CNC[C@@H]2C#N)o1	ZINC000834479251	587756018	/nfs/dbraw/zinc/75/60/18/587756018.db2.gz	BOBRMHUDUFEIHH-IUCAKERBSA-N	0	1	234.259	0.133	20	30		BCEDMN
CCc1oc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1C	ZINC000834480028	587756249	/nfs/dbraw/zinc/75/62/49/587756249.db2.gz	KKSZFYUJUPSPPJ-UWVGGRQHSA-N	0	1	247.298	0.992	20	30		BCEDMN
C=CCC(CC=C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834479357	587756295	/nfs/dbraw/zinc/75/62/95/587756295.db2.gz	DJFMJCWMPKVWAO-NEPJUHHUSA-N	0	1	233.315	0.983	20	30		BCEDMN
Cc1cccnc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834479234	587756297	/nfs/dbraw/zinc/75/62/97/587756297.db2.gz	BHPVJTOUNFWITO-UWVGGRQHSA-N	0	1	230.271	0.231	20	30		BCEDMN
CCCC1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1	ZINC000834481053	587756322	/nfs/dbraw/zinc/75/63/22/587756322.db2.gz	ZNKANIHVGHEIJV-NXEZZACHSA-N	0	1	221.304	0.794	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C(C)(C)C	ZINC000834488739	587756588	/nfs/dbraw/zinc/75/65/88/587756588.db2.gz	GIJZMYQTAFVURO-BBBLOLIVSA-N	0	1	223.320	0.896	20	30		BCEDMN
CC(Cl)(Cl)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834485320	587756610	/nfs/dbraw/zinc/75/66/10/587756610.db2.gz	VGRNSTFSWIAFBE-PHDIDXHHSA-N	0	1	236.102	0.408	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC12CC2	ZINC000834485247	587756723	/nfs/dbraw/zinc/75/67/23/587756723.db2.gz	UCFJRBMUOSQJTC-HRDYMLBCSA-N	0	1	205.261	0.014	20	30		BCEDMN
CC(Cl)(Cl)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834485322	587756758	/nfs/dbraw/zinc/75/67/58/587756758.db2.gz	VGRNSTFSWIAFBE-WDSKDSINSA-N	0	1	236.102	0.408	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccncc1F	ZINC000834488437	587756795	/nfs/dbraw/zinc/75/67/95/587756795.db2.gz	CJNAVNJKTKPRNU-XVKPBYJWSA-N	0	1	234.234	0.062	20	30		BCEDMN
Cc1ccc(N)cc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834484831	587756838	/nfs/dbraw/zinc/75/68/38/587756838.db2.gz	OADVZWDOQWKPJH-CABZTGNLSA-N	0	1	244.298	0.419	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)Cc1ccccc1O	ZINC000834493375	587756992	/nfs/dbraw/zinc/75/69/92/587756992.db2.gz	DEJWDCIHVVIZQE-GHMZBOCLSA-N	0	1	245.282	0.162	20	30		BCEDMN
C[C@H](OCC1CC1)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834493390	587757076	/nfs/dbraw/zinc/75/70/76/587757076.db2.gz	DFPGFMWTQBHKOU-INTQDDNPSA-N	0	1	237.303	0.029	20	30		BCEDMN
CC(C)n1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)n1	ZINC000834488947	587757105	/nfs/dbraw/zinc/75/71/05/587757105.db2.gz	HWOHOMLTPLYIQN-ONGXEEELSA-N	0	1	247.302	0.305	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1Cc2ccccc21	ZINC000834489687	587757126	/nfs/dbraw/zinc/75/71/26/587757126.db2.gz	OPOYKPSZWLIHKB-RAIGVLPGSA-N	0	1	241.294	0.554	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)n1	ZINC000834493894	587757141	/nfs/dbraw/zinc/75/71/41/587757141.db2.gz	ILUYLLDUQQRGCA-JQWIXIFHSA-N	0	1	244.298	0.540	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@H]2C#N)CCOCC1	ZINC000834494109	587757202	/nfs/dbraw/zinc/75/72/02/587757202.db2.gz	KGABZBPQESANHQ-ZJUUUORDSA-N	0	1	237.303	0.031	20	30		BCEDMN
CCc1ocnc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834489212	587757205	/nfs/dbraw/zinc/75/72/05/587757205.db2.gz	KSYRRDHIAMJERF-JGVFFNPUSA-N	0	1	234.259	0.078	20	30		BCEDMN
CC1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCOCC1	ZINC000834494108	587757211	/nfs/dbraw/zinc/75/72/11/587757211.db2.gz	KGABZBPQESANHQ-VHSXEESVSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ncc(C(=O)N[C@@H]2CNC[C@H]2C#N)s1	ZINC000834494681	587757396	/nfs/dbraw/zinc/75/73/96/587757396.db2.gz	OVFTVVGMACWJJF-HTQZYQBOSA-N	0	1	236.300	0.293	20	30		BCEDMN
COCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834494237	587757398	/nfs/dbraw/zinc/75/73/98/587757398.db2.gz	LXJBMKXPMOAJEG-VHSXEESVSA-N	0	1	225.292	0.031	20	30		BCEDMN
Cc1ccc(F)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1	ZINC000834495814	587757416	/nfs/dbraw/zinc/75/74/16/587757416.db2.gz	ZWOKMYNGHUGWDX-BXKDBHETSA-N	0	1	247.273	0.976	20	30		BCEDMN
CC(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1	ZINC000834499492	587757456	/nfs/dbraw/zinc/75/74/56/587757456.db2.gz	IVBZCAXDZRHOII-DTWKUNHWSA-N	0	1	247.254	0.324	20	30		BCEDMN
COCCCCC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834494235	587757516	/nfs/dbraw/zinc/75/75/16/587757516.db2.gz	LXJBMKXPMOAJEG-NXEZZACHSA-N	0	1	225.292	0.031	20	30		BCEDMN
CCCCO[C@H](C)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834495432	587757563	/nfs/dbraw/zinc/75/75/63/587757563.db2.gz	VOJTVWPQLAHOCZ-GMTAPVOTSA-N	0	1	239.319	0.419	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1	ZINC000834505732	587757739	/nfs/dbraw/zinc/75/77/39/587757739.db2.gz	NHFYMKFFYKOLNU-KOLCDFICSA-N	0	1	233.246	0.667	20	30		BCEDMN
CCCn1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)cn1	ZINC000834500134	587757999	/nfs/dbraw/zinc/75/79/99/587757999.db2.gz	QLGMAIRDNADRPV-ONGXEEELSA-N	0	1	247.302	0.134	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccsc1	ZINC000834510842	587758063	/nfs/dbraw/zinc/75/80/63/587758063.db2.gz	FWAVOCARTSZNON-WDEREUQCSA-N	0	1	249.339	0.908	20	30		BCEDMN
Cc1occc1C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834512052	587758211	/nfs/dbraw/zinc/75/82/11/587758211.db2.gz	RIIQMJJTRXWEIO-WPRPVWTQSA-N	0	1	219.244	0.429	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(F)c1	ZINC000834511206	587758279	/nfs/dbraw/zinc/75/82/79/587758279.db2.gz	JKDXTKZOPWCPLR-ONGXEEELSA-N	0	1	233.246	0.667	20	30		BCEDMN
CCOCC1(C(=O)N[C@H]2CNC[C@H]2C#N)CC1	ZINC000834506310	587758307	/nfs/dbraw/zinc/75/83/07/587758307.db2.gz	RVWBIGXMXPTCGK-ZJUUUORDSA-N	0	1	237.303	0.031	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)cc1	ZINC000834511150	587758339	/nfs/dbraw/zinc/75/83/39/587758339.db2.gz	ISOUVPBMGCAYPY-STQMWFEESA-N	0	1	243.310	0.765	20	30		BCEDMN
Cc1ccc(O)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1	ZINC000834506208	587758341	/nfs/dbraw/zinc/75/83/41/587758341.db2.gz	QSICHWGBIWHEQE-GXSJLCMTSA-N	0	1	245.282	0.542	20	30		BCEDMN
Cc1ccc(O)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000834506211	587758380	/nfs/dbraw/zinc/75/83/80/587758380.db2.gz	QSICHWGBIWHEQE-ONGXEEELSA-N	0	1	245.282	0.542	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(Cl)o1	ZINC000834517711	587758499	/nfs/dbraw/zinc/75/84/99/587758499.db2.gz	YMFOAKOMSPVLIX-NKWVEPMBSA-N	0	1	239.662	0.774	20	30		BCEDMN
Cc1ccc(F)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834517113	587758557	/nfs/dbraw/zinc/75/85/57/587758557.db2.gz	QJJXWDOBIUYJHQ-JOYOIKCWSA-N	0	1	247.273	0.976	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)CC[C@@H]1CCCO1	ZINC000834515741	587758597	/nfs/dbraw/zinc/75/85/97/587758597.db2.gz	BJCTTWCFQYNBCQ-OUAUKWLOSA-N	0	1	237.303	0.173	20	30		BCEDMN
C[C@H]1CN=C(NN=C2CCc3cccc(O)c32)N1	ZINC000834968842	587773893	/nfs/dbraw/zinc/77/38/93/587773893.db2.gz	ASIKHFTXAQCIBK-QMMMGPOBSA-N	0	1	244.298	0.980	20	30		BCEDMN
CC[C@H]1CN(CC)CCN1C(=O)C=NOC	ZINC000836950487	587843662	/nfs/dbraw/zinc/84/36/62/587843662.db2.gz	ZLOZWIPKUZTCFJ-JTQLQIEISA-N	0	1	227.308	0.561	20	30		BCEDMN
C#Cc1cccc(CNC(=O)CN(C)C)c1	ZINC000837105549	587854210	/nfs/dbraw/zinc/85/42/10/587854210.db2.gz	DHMSGEFICMWJGN-UHFFFAOYSA-N	0	1	216.284	0.846	20	30		BCEDMN
C#CCO[C@H](C)C(=O)OCc1n[nH]c(CC)n1	ZINC000837841293	587899513	/nfs/dbraw/zinc/89/95/13/587899513.db2.gz	FCMAGPQGKOCJLM-MRVPVSSYSA-N	0	1	237.259	0.449	20	30		BCEDMN
C#CCOCCN[C@@H](C)c1ccn(C)n1	ZINC000840745769	587919695	/nfs/dbraw/zinc/91/96/95/587919695.db2.gz	OVVKPRKJRIDWBB-JTQLQIEISA-N	0	1	207.277	0.721	20	30		BCEDMN
C#CCNC(=S)N1CCN([C@@H](C)CC)CC1	ZINC000840815380	587923188	/nfs/dbraw/zinc/92/31/88/587923188.db2.gz	KDQWOGWTZQDGTD-NSHDSACASA-N	0	1	239.388	0.910	20	30		BCEDMN
Cc1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)ccn1	ZINC000841166226	587948035	/nfs/dbraw/zinc/94/80/35/587948035.db2.gz	MBDYIGABUZQRNP-MWLCHTKSSA-N	0	1	245.286	0.045	20	30		BCEDMN
Cc1cccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)n1	ZINC000841182350	587948222	/nfs/dbraw/zinc/94/82/22/587948222.db2.gz	KYEPMQIBBQYBEB-UWVGGRQHSA-N	0	1	245.286	0.623	20	30		BCEDMN
C=C(C)CN(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000867255193	587949209	/nfs/dbraw/zinc/94/92/09/587949209.db2.gz	ZYUKHQJMDCVTMM-VIFPVBQESA-N	0	1	209.249	0.478	20	30		BCEDMN
C[C@@H](O)CN(C)N=C1CCN2CCC[C@H]12	ZINC000841649338	587966799	/nfs/dbraw/zinc/96/67/99/587966799.db2.gz	GIKVFOBXEGKOHQ-MWLCHTKSSA-N	0	1	211.309	0.523	20	30		BCEDMN
Oc1cccc2c1CCC2=NNC1=NCCN1	ZINC000841658610	587968809	/nfs/dbraw/zinc/96/88/09/587968809.db2.gz	GPJGIUAGNLIXNS-UHFFFAOYSA-N	0	1	230.271	0.591	20	30		BCEDMN
CCCn1cccc1C=NNC1=NCCN1	ZINC000841659202	587969424	/nfs/dbraw/zinc/96/94/24/587969424.db2.gz	NEIFXOCFTHOZSK-UHFFFAOYSA-N	0	1	219.292	0.781	20	30		BCEDMN
COc1cc(C)ccc1C=NNC1=NCCN1	ZINC000841661448	587970017	/nfs/dbraw/zinc/97/00/17/587970017.db2.gz	XPVDNZIABDJEEE-UHFFFAOYSA-N	0	1	232.287	0.886	20	30		BCEDMN
COc1cccc(OC)c1C=NNC1=NCCN1	ZINC000841662584	587970703	/nfs/dbraw/zinc/97/07/03/587970703.db2.gz	ZBBJPEKPKJHNSE-UHFFFAOYSA-N	0	1	248.286	0.587	20	30		BCEDMN
CC(=NNC1=NCCN1)c1ccc2c(c1)OCO2	ZINC000841663197	587970741	/nfs/dbraw/zinc/97/07/41/587970741.db2.gz	VERVOTAHGOPUHV-UHFFFAOYSA-N	0	1	246.270	0.688	20	30		BCEDMN
C#Cc1ccc(CNC(=O)N2CCNCC2)cc1	ZINC000841908848	587983885	/nfs/dbraw/zinc/98/38/85/587983885.db2.gz	VFVMMIOXXAVHIK-UHFFFAOYSA-N	0	1	243.310	0.783	20	30		BCEDMN
C=CCONC(=O)N1CCNC[C@H]1CCC	ZINC000841914083	587984751	/nfs/dbraw/zinc/98/47/51/587984751.db2.gz	YQYGWVXFPZGGKN-SNVBAGLBSA-N	0	1	227.308	0.888	20	30		BCEDMN
C=CCNC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C	ZINC000842170823	588006098	/nfs/dbraw/zinc/00/60/98/588006098.db2.gz	CVTLSROURIUCQD-QWRGUYRKSA-N	0	1	241.335	0.269	20	30		BCEDMN
C=CCNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C	ZINC000842170822	588006420	/nfs/dbraw/zinc/00/64/20/588006420.db2.gz	CVTLSROURIUCQD-MNOVXSKESA-N	0	1	241.335	0.269	20	30		BCEDMN
C#C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC000842326595	588018002	/nfs/dbraw/zinc/01/80/02/588018002.db2.gz	DWLYTFUFGVDWIS-HLTSFMKQSA-N	0	1	209.201	0.607	20	30		BCEDMN
CCN(CCO)N=C1CCN2CCC[C@H]12	ZINC000842536868	588036003	/nfs/dbraw/zinc/03/60/03/588036003.db2.gz	CNGYDCOFUFSLHE-LLVKDONJSA-N	0	1	211.309	0.525	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C1(F)CC1	ZINC000842689791	588053217	/nfs/dbraw/zinc/05/32/17/588053217.db2.gz	FKQYJRHYRKMPOI-SSDOTTSWSA-N	0	1	212.224	0.722	20	30		BCEDMN
Cc1ccc(CC(=O)N[C@H]2CNC[C@H]2C#N)s1	ZINC000843461031	588112489	/nfs/dbraw/zinc/11/24/89/588112489.db2.gz	JIRTVGSFZXCTEF-KOLCDFICSA-N	0	1	249.339	0.827	20	30		BCEDMN
CC(C)(C)/C=C/C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843461858	588112646	/nfs/dbraw/zinc/11/26/46/588112646.db2.gz	XMFODOBFZDTOLS-NUNSBDKSSA-N	0	1	221.304	0.816	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)Cc1cccs1	ZINC000843463376	588112979	/nfs/dbraw/zinc/11/29/79/588112979.db2.gz	WGQCBGZODBPIPH-WPRPVWTQSA-N	0	1	235.312	0.518	20	30		BCEDMN
Cc1c[nH]cc1C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000843464224	588113138	/nfs/dbraw/zinc/11/31/38/588113138.db2.gz	ZXVXOBMFOKVZRW-PSASIEDQSA-N	0	1	218.260	0.165	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)/C=C\c1cccs1	ZINC000843463781	588113248	/nfs/dbraw/zinc/11/32/48/588113248.db2.gz	XWEUCMSGXQZRQP-QKXNICGJSA-N	0	1	247.323	0.989	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C\c1cccs1	ZINC000843463782	588113267	/nfs/dbraw/zinc/11/32/67/588113267.db2.gz	XWEUCMSGXQZRQP-YUPSMKLTSA-N	0	1	247.323	0.989	20	30		BCEDMN
C#CCN(CC)C[C@H]1CN(C2CC2)C(=O)O1	ZINC000844299797	588182328	/nfs/dbraw/zinc/18/23/28/588182328.db2.gz	HFQAITPCKDVJHR-NSHDSACASA-N	0	1	222.288	0.925	20	30		BCEDMN
CCN(CC(=O)NCCC#N)[C@H]1CCCOC1	ZINC000844404251	588190020	/nfs/dbraw/zinc/19/00/20/588190020.db2.gz	LYLBAZWVYBFLEA-NSHDSACASA-N	0	1	239.319	0.517	20	30		BCEDMN
COc1ccc(C=NNC2=NCCN2)c(F)c1	ZINC000844600945	588207285	/nfs/dbraw/zinc/20/72/85/588207285.db2.gz	CHIJOTMCCXRFMJ-UHFFFAOYSA-N	0	1	236.250	0.717	20	30		BCEDMN
C[C@@]1(C#N)CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1	ZINC000867363198	588213156	/nfs/dbraw/zinc/21/31/56/588213156.db2.gz	MDWMDJPZYIERIH-PWSUYJOCSA-N	0	1	248.286	0.595	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)NCc1n[nH]c(CC)n1	ZINC000845620012	588236825	/nfs/dbraw/zinc/23/68/25/588236825.db2.gz	ZKYXPEVCTXRBOP-SSDOTTSWSA-N	0	1	239.279	0.672	20	30		BCEDMN
C=C(C)CONC(=O)Cc1ccnn1C	ZINC000846535282	588271315	/nfs/dbraw/zinc/27/13/15/588271315.db2.gz	WEFMFTQTUSCSKZ-UHFFFAOYSA-N	0	1	209.249	0.587	20	30		BCEDMN
C=C(C)CONC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000846536683	588271897	/nfs/dbraw/zinc/27/18/97/588271897.db2.gz	WNOGWTRAAHSIEF-UHFFFAOYSA-N	0	1	226.192	0.555	20	30		BCEDMN
C=C(C)CO[N-]C(=O)C[N@H+](C)CCC	ZINC000846537719	588272195	/nfs/dbraw/zinc/27/21/95/588272195.db2.gz	ATFVBOXESZZFCY-UHFFFAOYSA-N	0	1	200.282	0.952	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H](C)[NH+]1CCN(C)CC1	ZINC000846538350	588272506	/nfs/dbraw/zinc/27/25/06/588272506.db2.gz	HWAARVIIUZITGA-LLVKDONJSA-N	0	1	241.335	0.246	20	30		BCEDMN
C=C(C)CO[N-]C(=O)[C@@H](C)N1CC[NH+](C)CC1	ZINC000846538350	588272507	/nfs/dbraw/zinc/27/25/07/588272507.db2.gz	HWAARVIIUZITGA-LLVKDONJSA-N	0	1	241.335	0.246	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000846546499	588274226	/nfs/dbraw/zinc/27/42/26/588274226.db2.gz	CGWWIUHGODKCMF-RXMQYKEDSA-N	0	1	226.192	0.554	20	30		BCEDMN
C=C[C@H](C)O[N-]C(=O)Cn1cc[nH+]c1C	ZINC000846553979	588276590	/nfs/dbraw/zinc/27/65/90/588276590.db2.gz	GFQYPVUCIBLLBG-QMMMGPOBSA-N	0	1	209.249	0.814	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC=CCC1	ZINC000846677112	588282207	/nfs/dbraw/zinc/28/22/07/588282207.db2.gz	KOTXFKQRUNQZNR-AXFHLTTASA-N	0	1	219.288	0.570	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000846677811	588282306	/nfs/dbraw/zinc/28/23/06/588282306.db2.gz	OTZISLBYTYLYAL-UWVGGRQHSA-N	0	1	232.287	0.298	20	30		BCEDMN
Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1O	ZINC000846678101	588282327	/nfs/dbraw/zinc/28/23/27/588282327.db2.gz	QWULOCGOSDKXEM-QWRGUYRKSA-N	0	1	245.282	0.542	20	30		BCEDMN
C#C[C@@H]1CCCN(Cc2n[nH]c(C)n2)C1	ZINC000847019037	588301618	/nfs/dbraw/zinc/30/16/18/588301618.db2.gz	NUMHHUXTLSQUOD-SNVBAGLBSA-N	0	1	204.277	0.958	20	30		BCEDMN
C#C[C@H]1CCCN(Cc2n[nH]c(C)n2)C1	ZINC000847019035	588301954	/nfs/dbraw/zinc/30/19/54/588301954.db2.gz	NUMHHUXTLSQUOD-JTQLQIEISA-N	0	1	204.277	0.958	20	30		BCEDMN
C#CCN(CC#N)C(=O)[C@@H]1CCc2[nH]cnc2C1	ZINC000847176146	588308747	/nfs/dbraw/zinc/30/87/47/588308747.db2.gz	ARXZTINWVGVGEY-SNVBAGLBSA-N	0	1	242.282	0.500	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)NC1=NO[C@@H](C)C1	ZINC000847624483	588319383	/nfs/dbraw/zinc/31/93/83/588319383.db2.gz	RKQWFQQSABCJJX-YUMQZZPRSA-N	0	1	236.275	0.827	20	30		BCEDMN
C[C@@H](Cc1cnc[nH]1)C(=O)NC1=NO[C@H](C)C1	ZINC000847624481	588319563	/nfs/dbraw/zinc/31/95/63/588319563.db2.gz	RKQWFQQSABCJJX-JGVFFNPUSA-N	0	1	236.275	0.827	20	30		BCEDMN
C#C[C@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1	ZINC000847760293	588329562	/nfs/dbraw/zinc/32/95/62/588329562.db2.gz	HXPBQENKACKLMA-BDAKNGLRSA-N	0	1	205.261	0.726	20	30		BCEDMN
C#CCOCCC(=O)N1CCN(C)C(C)(C)C1	ZINC000848034060	588346621	/nfs/dbraw/zinc/34/66/21/588346621.db2.gz	UNHBBJVIYZGNOP-UHFFFAOYSA-N	0	1	238.331	0.579	20	30		BCEDMN
NC(=O)CNN=C1CCCN2CCCC[C@H]12	ZINC000848407636	588378449	/nfs/dbraw/zinc/37/84/49/588378449.db2.gz	AUIBUMDIURLJEK-SNVBAGLBSA-N	0	1	224.308	0.066	20	30		BCEDMN
CCn1ncnc1C=NNc1cnn(C)c1	ZINC000848411263	588379978	/nfs/dbraw/zinc/37/99/78/588379978.db2.gz	WJRRJDMCVDRZBM-UHFFFAOYSA-N	0	1	219.252	0.478	20	30		BCEDMN
Cn1nncc1N=NCc1cc2n(n1)CCCC2	ZINC000848411020	588380157	/nfs/dbraw/zinc/38/01/57/588380157.db2.gz	VVXBGNXOIXYJKC-UHFFFAOYSA-N	0	1	245.290	0.794	20	30		BCEDMN
CCc1cccc(C=NNC2=NCCN2)c1O	ZINC000848411862	588380576	/nfs/dbraw/zinc/38/05/76/588380576.db2.gz	DKJNAIHYJUOWSV-UHFFFAOYSA-N	0	1	232.287	0.837	20	30		BCEDMN
C/C(=C/c1ccco1)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000848419640	588382719	/nfs/dbraw/zinc/38/27/19/588382719.db2.gz	ZSNJKFHYFYQMAH-XPBXZXTRSA-N	0	1	245.282	0.911	20	30		BCEDMN
C#C[C@H]1CCCN(CN2CCCC2=O)C1	ZINC000848492339	588386848	/nfs/dbraw/zinc/38/68/48/588386848.db2.gz	ATUNNFIYLBRLGM-NSHDSACASA-N	0	1	206.289	0.912	20	30		BCEDMN
CCNC(NCc1ncccc1[O-])=[NH+]CC	ZINC000849024360	588439699	/nfs/dbraw/zinc/43/96/99/588439699.db2.gz	LUWYYJIZUHVWPK-UHFFFAOYSA-N	0	1	222.292	0.862	20	30		BCEDMN
C[C@H](Cn1cncn1)NCc1ccc(C#N)cn1	ZINC000850462065	588548549	/nfs/dbraw/zinc/54/85/49/588548549.db2.gz	MKEOJCYTCAGSFG-SNVBAGLBSA-N	0	1	242.286	0.723	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CCCF	ZINC000850762062	588565635	/nfs/dbraw/zinc/56/56/35/588565635.db2.gz	VJEZXKLMFHFVSL-QMMMGPOBSA-N	0	1	214.240	0.970	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)C1CC2(CC2(F)F)C1	ZINC000850763188	588565758	/nfs/dbraw/zinc/56/57/58/588565758.db2.gz	BRVGMKMSOPJEOM-DSQUFTABSA-N	0	1	242.225	0.877	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCC1	ZINC000850765279	588565805	/nfs/dbraw/zinc/56/58/05/588565805.db2.gz	YPUOMKHWCLJTST-SCZZXKLOSA-N	0	1	224.260	0.256	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@H](OC)C1CCCC1	ZINC000850764498	588565850	/nfs/dbraw/zinc/56/58/50/588565850.db2.gz	RCMMQNSBLACYIR-MWLCHTKSSA-N	0	1	238.287	0.646	20	30		BCEDMN
C#CCN(CC#CC)C[C@@H](OC)[C@@H]1CCOC1	ZINC000851784817	588628399	/nfs/dbraw/zinc/62/83/99/588628399.db2.gz	LKKOZKGGZKSAIO-ZIAGYGMSSA-N	0	1	235.327	0.996	20	30		BCEDMN
C#CCOCCN1CCN(C(C)=O)CC1(C)C	ZINC000851906038	588642107	/nfs/dbraw/zinc/64/21/07/588642107.db2.gz	SHXYFTWMZOQNLQ-UHFFFAOYSA-N	0	1	238.331	0.579	20	30		BCEDMN
C#C[C@H](NC[C@@H]1CCC(=O)O1)[C@H]1CCCO1	ZINC000851949810	588647155	/nfs/dbraw/zinc/64/71/55/588647155.db2.gz	JQBKAICICCQVRK-GARJFASQSA-N	0	1	223.272	0.462	20	30		BCEDMN
C#CCOCCN[C@@](C)(CO)c1cccc(O)c1	ZINC000852051828	588657821	/nfs/dbraw/zinc/65/78/21/588657821.db2.gz	HCBKITRNUCNYEV-AWEZNQCLSA-N	0	1	249.310	0.839	20	30		BCEDMN
C#C[C@@](C)(CC)NCC(=O)Nc1nncs1	ZINC000852099531	588662705	/nfs/dbraw/zinc/66/27/05/588662705.db2.gz	BHUQYPNQTKSXLR-JTQLQIEISA-N	0	1	238.316	0.868	20	30		BCEDMN
C#CCOCCN1CC[C@@H](OC(=O)N(C)C)C1	ZINC000852113339	588664732	/nfs/dbraw/zinc/66/47/32/588664732.db2.gz	ZNLFLSRBFNRPDI-LLVKDONJSA-N	0	1	240.303	0.409	20	30		BCEDMN
C#CCCCNC(=O)N(C)CC1CN(C)C1	ZINC000852153011	588667575	/nfs/dbraw/zinc/66/75/75/588667575.db2.gz	AJOKZVGFIFHGGO-UHFFFAOYSA-N	0	1	223.320	0.603	20	30		BCEDMN
C[C@@H](C#N)OCC[N@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000852313718	588677896	/nfs/dbraw/zinc/67/78/96/588677896.db2.gz	LXITUFJQDCFFIJ-NWDGAFQWSA-N	0	1	249.318	0.529	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@H]2C[C@H]2C1	ZINC000852633691	588693426	/nfs/dbraw/zinc/69/34/26/588693426.db2.gz	CROKYYTXDYZUNX-UWVGGRQHSA-N	0	1	207.277	0.358	20	30		BCEDMN
C=C[C@H](CO)NCC(=O)NCCCCCC	ZINC000852713331	588697608	/nfs/dbraw/zinc/69/76/08/588697608.db2.gz	DPOQOFNOOXNPQC-LLVKDONJSA-N	0	1	228.336	0.819	20	30		BCEDMN
C=C(Cl)CNC(=O)[C@@H](N)COC(C)C	ZINC000852808007	588704872	/nfs/dbraw/zinc/70/48/72/588704872.db2.gz	GVTVCLUJXRKWFC-QMMMGPOBSA-N	0	1	220.700	0.607	20	30		BCEDMN
CO[C@@H]1CC[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)C1	ZINC000852827765	588706237	/nfs/dbraw/zinc/70/62/37/588706237.db2.gz	PBYTWYRVEATBOT-UKKRHICBSA-N	0	1	237.303	0.029	20	30		BCEDMN
CCC/C=C\C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000852876160	588709514	/nfs/dbraw/zinc/70/95/14/588709514.db2.gz	WNJNAWMGQVYGTK-YVDHIRPGSA-N	0	1	207.277	0.570	20	30		BCEDMN
CCC/C=C\C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000852876157	588709641	/nfs/dbraw/zinc/70/96/41/588709641.db2.gz	WNJNAWMGQVYGTK-BYIQDMNASA-N	0	1	207.277	0.570	20	30		BCEDMN
CSC(C)(C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000852875160	588710023	/nfs/dbraw/zinc/71/00/23/588710023.db2.gz	FWJHGPYDKSXASN-YUMQZZPRSA-N	0	1	227.333	0.356	20	30		BCEDMN
C#C[C@H](CCC)NC(=O)NC[C@@H]1COCCN1	ZINC000861683855	589174365	/nfs/dbraw/zinc/17/43/65/589174365.db2.gz	BVFPNRUVWFPBHL-GHMZBOCLSA-N	0	1	239.319	0.076	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)c2ccn[nH]2)C1	ZINC000862561065	589222294	/nfs/dbraw/zinc/22/22/94/589222294.db2.gz	CQLLFJPFLRYCFA-VIFPVBQESA-N	0	1	203.245	0.895	20	30		BCEDMN
CNC(=S)NN=C1CC[N@@H+](C)C(C)(C)C1	ZINC000863065575	589253996	/nfs/dbraw/zinc/25/39/96/589253996.db2.gz	YXTZGTPWBHNPJC-UHFFFAOYSA-N	0	1	228.365	0.941	20	30		BCEDMN
CCc1[nH]nc(Cl)c1C=NNC1=NCCN1	ZINC000863120985	589260395	/nfs/dbraw/zinc/26/03/95/589260395.db2.gz	XBGMEUJUNDRMGB-UHFFFAOYSA-N	0	1	240.698	0.508	20	30		BCEDMN
O=S1(=O)CCCC(=Nn2cccn2)C1	ZINC000863166100	589267143	/nfs/dbraw/zinc/26/71/43/589267143.db2.gz	TUZPQJKIJMQCBW-UHFFFAOYSA-N	0	1	213.262	0.296	20	30		BCEDMN
CCS(=O)(=O)CC(C)=Nn1cccn1	ZINC000863165698	589267161	/nfs/dbraw/zinc/26/71/61/589267161.db2.gz	LKMJQXSCVZARCF-UHFFFAOYSA-N	0	1	215.278	0.542	20	30		BCEDMN
C#CC[C@@H](CCOC)NC(=O)CCc1cnc[nH]1	ZINC000863782836	589317216	/nfs/dbraw/zinc/31/72/16/589317216.db2.gz	CGWKORBFKLIYOT-NSHDSACASA-N	0	1	249.314	0.887	20	30		BCEDMN
C#CC[C@H](COC)NC(=O)CN(CC)C1CC1	ZINC000863803599	589319921	/nfs/dbraw/zinc/31/99/21/589319921.db2.gz	SPASZXMRNZUEQM-LLVKDONJSA-N	0	1	238.331	0.625	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC000863902736	589324860	/nfs/dbraw/zinc/32/48/60/589324860.db2.gz	KNJTVCXVIWINHY-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C=CC[C@H](CO)CNC(=O)CN(C)C1CCC1	ZINC000863902736	589324861	/nfs/dbraw/zinc/32/48/61/589324861.db2.gz	KNJTVCXVIWINHY-NSHDSACASA-N	0	1	240.347	0.772	20	30		BCEDMN
C#C[C@@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1	ZINC000864266274	589352957	/nfs/dbraw/zinc/35/29/57/589352957.db2.gz	GDINTDVXOOTFLP-SNVBAGLBSA-N	0	1	247.302	0.668	20	30		BCEDMN
C[C@@H](C#N)CN(C)C(=O)[C@@H](O)c1c[nH]cn1	ZINC000864979756	589401676	/nfs/dbraw/zinc/40/16/76/589401676.db2.gz	QMRUKQBOBUOSSN-CBAPKCEASA-N	0	1	222.248	0.061	20	30		BCEDMN
CN(C(=O)[C@@H](O)c1c[nH]cn1)C1(C#N)CCC1	ZINC000864994437	589403474	/nfs/dbraw/zinc/40/34/74/589403474.db2.gz	NFCQKAFPIBBMCI-VIFPVBQESA-N	0	1	234.259	0.348	20	30		BCEDMN
CNC(=S)N1CCc2[nH]c(=O)c(C#N)cc2C1	ZINC000865251171	589415887	/nfs/dbraw/zinc/41/58/87/589415887.db2.gz	QXRVXSSNDAARNC-UHFFFAOYSA-N	0	1	248.311	0.521	20	30		BCEDMN
CN1CC2(C1)CCN(C(=O)c1coc(C#N)c1)C2	ZINC000867834156	589536187	/nfs/dbraw/zinc/53/61/87/589536187.db2.gz	RLTUZRCQJAGPJK-UHFFFAOYSA-N	0	1	245.282	0.929	20	30		BCEDMN
C#C[C@@](C)(CC)NC(=O)Cc1nnc[nH]1	ZINC000868629803	589569378	/nfs/dbraw/zinc/56/93/78/589569378.db2.gz	NLBMSOWCSLRFTP-JTQLQIEISA-N	0	1	206.249	0.265	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)CCc1c[nH]nn1	ZINC000868630741	589569429	/nfs/dbraw/zinc/56/94/29/589569429.db2.gz	YJWWUZIJQSTQCU-LLVKDONJSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#C[C@](C)(CC)NC(=O)CCc1cnn[nH]1	ZINC000868630741	589569430	/nfs/dbraw/zinc/56/94/30/589569430.db2.gz	YJWWUZIJQSTQCU-LLVKDONJSA-N	0	1	220.276	0.655	20	30		BCEDMN
C#CC[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1	ZINC000869073064	589585807	/nfs/dbraw/zinc/58/58/07/589585807.db2.gz	AQFPVYFVMYMFIP-SNVBAGLBSA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CC[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869073274	589585898	/nfs/dbraw/zinc/58/58/98/589585898.db2.gz	GPYFOHAQNRXFLY-JQWIXIFHSA-N	0	1	247.298	0.705	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCc1c[nH]nn1	ZINC000869153357	589590567	/nfs/dbraw/zinc/59/05/67/589590567.db2.gz	BTKUJZFAQUWNHE-SSDOTTSWSA-N	0	1	210.237	0.360	20	30		BCEDMN
C=C[C@@H](C)ONC(=O)CCc1cnn[nH]1	ZINC000869153357	589590568	/nfs/dbraw/zinc/59/05/68/589590568.db2.gz	BTKUJZFAQUWNHE-SSDOTTSWSA-N	0	1	210.237	0.360	20	30		BCEDMN
C[C@]1(C#N)CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1	ZINC000869294166	589596441	/nfs/dbraw/zinc/59/64/41/589596441.db2.gz	IKCZSMKDSSPOKG-GXSJLCMTSA-N	0	1	234.259	0.205	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)CCc2c[nH]nn2)C1	ZINC000869394673	589603312	/nfs/dbraw/zinc/60/33/12/589603312.db2.gz	WEPWDEVAZCBNKG-JTQLQIEISA-N	0	1	232.287	0.609	20	30		BCEDMN
C#CC[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1	ZINC000869394673	589603313	/nfs/dbraw/zinc/60/33/13/589603313.db2.gz	WEPWDEVAZCBNKG-JTQLQIEISA-N	0	1	232.287	0.609	20	30		BCEDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@H]1C#N	ZINC000870668562	589681644	/nfs/dbraw/zinc/68/16/44/589681644.db2.gz	CJLCLAMOFMCMGD-QCLAVDOMSA-N	0	1	237.259	0.802	20	30		BCEDMN
CN(C(=O)C1=NC(=O)N(C)C1)[C@@H]1CCC[C@@H]1C#N	ZINC000870669990	589681956	/nfs/dbraw/zinc/68/19/56/589681956.db2.gz	HGKZZTQURXIYEG-PSASIEDQSA-N	0	1	248.286	0.890	20	30		BCEDMN
CN(C(=O)C1=NC(=O)N(C)C1)[C@@H]1CCC[C@H]1C#N	ZINC000870669992	589682143	/nfs/dbraw/zinc/68/21/43/589682143.db2.gz	HGKZZTQURXIYEG-WCBMZHEXSA-N	0	1	248.286	0.890	20	30		BCEDMN
Cc1cnc(F)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000870941632	589699523	/nfs/dbraw/zinc/69/95/23/589699523.db2.gz	XEZWTAAHHVVUJU-WPRPVWTQSA-N	0	1	248.261	0.371	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N[C@H]1CCCn2nccc21	ZINC000871930666	589833569	/nfs/dbraw/zinc/83/35/69/589833569.db2.gz	ZDCJDKCCPYEIFJ-QWRGUYRKSA-N	0	1	246.314	0.446	20	30		BCEDMN
CC(C)(O)C[C@@H](O)CN1CC(CC#N)C1	ZINC000871983238	589852658	/nfs/dbraw/zinc/85/26/58/589852658.db2.gz	XZTQWRVPKRYPJL-SNVBAGLBSA-N	0	1	212.293	0.354	20	30		BCEDMN
C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CCO[C@H]1C	ZINC000872160058	589885999	/nfs/dbraw/zinc/88/59/99/589885999.db2.gz	YHMXPSKBAULELN-UWVGGRQHSA-N	0	1	213.277	0.984	20	30		BCEDMN
C[C@H]1C(N=Nc2cnccn2)CCN1C	ZINC000872341670	589915116	/nfs/dbraw/zinc/91/51/16/589915116.db2.gz	WPWSUMAAIVBIFZ-QMMMGPOBSA-N	0	1	205.265	0.969	20	30		BCEDMN
C[C@@H](CO)NN=Cc1ccc(F)c(F)c1O	ZINC000872355052	589915506	/nfs/dbraw/zinc/91/55/06/589915506.db2.gz	CQSAPJQBQCZUTO-LURJTMIESA-N	0	1	230.214	0.975	20	30		BCEDMN
C[C@H](CO)NN=Cc1ccc(F)c(F)c1O	ZINC000872355053	589915711	/nfs/dbraw/zinc/91/57/11/589915711.db2.gz	CQSAPJQBQCZUTO-ZCFIWIBFSA-N	0	1	230.214	0.975	20	30		BCEDMN
F[C@@H]1COc2ccccc2C1=NNC1=NCCN1	ZINC000872385770	589929181	/nfs/dbraw/zinc/92/91/81/589929181.db2.gz	PIYLRDSLQHCDJH-SECBINFHSA-N	0	1	248.261	0.670	20	30		BCEDMN
Cn1nc2c(c1C=NNC1=NCCN1)CCCC2	ZINC000872385218	589929234	/nfs/dbraw/zinc/92/92/34/589929234.db2.gz	BJYHAGYJUYOUIZ-UHFFFAOYSA-N	0	1	246.318	0.182	20	30		BCEDMN
C(=NNC1=NCCN1)c1ccnn1CC1CCC1	ZINC000872385579	589929500	/nfs/dbraw/zinc/92/95/00/589929500.db2.gz	IVPVKVJVTSMIOM-UHFFFAOYSA-N	0	1	246.318	0.566	20	30		BCEDMN
Cc1nnc(N=NC2CCN(C)[C@H]2C)n1C	ZINC000872390784	589931091	/nfs/dbraw/zinc/93/10/91/589931091.db2.gz	RCZSUJIYBSAMPJ-ZETCQYMHSA-N	0	1	222.296	0.615	20	30		BCEDMN
Cc1cc(N=NC2C[C@@H](C)N(C)C2)nc(N)n1	ZINC000872420948	589937743	/nfs/dbraw/zinc/93/77/43/589937743.db2.gz	SDWHNIMREZVEOV-MRVPVSSYSA-N	0	1	234.307	0.859	20	30		BCEDMN
N#C[C@H]1CC[C@@H](NCc2cnc(N)cn2)C1	ZINC000873212947	589997135	/nfs/dbraw/zinc/99/71/35/589997135.db2.gz	DFPORNAGHBPNAA-DTWKUNHWSA-N	0	1	217.276	0.841	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NCCCc1cn[nH]c1C	ZINC000873993213	590083713	/nfs/dbraw/zinc/08/37/13/590083713.db2.gz	FTXPRPUESRRCHN-LLVKDONJSA-N	0	1	249.314	0.805	20	30		BCEDMN
C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H](C)N1	ZINC000876530065	590209970	/nfs/dbraw/zinc/20/99/70/590209970.db2.gz	JVLHSCCXFKIPSQ-NXEZZACHSA-N	0	1	206.289	0.609	20	30		BCEDMN
C#CCCCCCCN1CCO[C@@H](C(N)=O)C1	ZINC000876658270	590226843	/nfs/dbraw/zinc/22/68/43/590226843.db2.gz	RHRWDKMYEGSTKF-GFCCVEGCSA-N	0	1	238.331	0.756	20	30		BCEDMN
CCC(C#N)(CC)C(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876801913	590243029	/nfs/dbraw/zinc/24/30/29/590243029.db2.gz	KHQWHVKKSYOKQP-NXEZZACHSA-N	0	1	234.303	0.544	20	30		BCEDMN
CNc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000876801920	590243145	/nfs/dbraw/zinc/24/31/45/590243145.db2.gz	KJSLBJONDHTXES-SKDRFNHKSA-N	0	1	244.298	0.570	20	30		BCEDMN
CCn1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)n1	ZINC000876802301	590243311	/nfs/dbraw/zinc/24/33/11/590243311.db2.gz	NTCZJPFNRBVSQC-MWLCHTKSSA-N	0	1	247.302	0.053	20	30		BCEDMN
CC(C)=C(C)CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000876803079	590244025	/nfs/dbraw/zinc/24/40/25/590244025.db2.gz	ULTSONZVFLPYPU-GHMZBOCLSA-N	0	1	221.304	0.961	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@H]2C#N)CC(F)(F)C1	ZINC000876803893	590244053	/nfs/dbraw/zinc/24/40/53/590244053.db2.gz	YUODRKMIRNEQHT-SFYZADRCSA-N	0	1	243.257	0.650	20	30		BCEDMN
CNc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1	ZINC000876803019	590244138	/nfs/dbraw/zinc/24/41/38/590244138.db2.gz	UEKMTBFPVQVYJQ-JQWIXIFHSA-N	0	1	244.298	0.570	20	30		BCEDMN
CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000876803027	590244155	/nfs/dbraw/zinc/24/41/55/590244155.db2.gz	UFKWDCCQLBCEPS-LNFKQOIKSA-N	0	1	235.331	0.896	20	30		BCEDMN
COC[C@@H](O)CNCc1cccc(C#N)n1	ZINC000877505004	590342319	/nfs/dbraw/zinc/34/23/19/590342319.db2.gz	NGHWCWUIYSAIFO-NSHDSACASA-N	0	1	221.260	0.050	20	30		BCEDMN
N#Cc1cccc(CN[C@@H]2CC[C@H]2O)n1	ZINC000877597605	590371011	/nfs/dbraw/zinc/37/10/11/590371011.db2.gz	RGQIFXVKWKFYMO-GHMZBOCLSA-N	0	1	203.245	0.566	20	30		BCEDMN
COC(=O)C1CC(NCc2cccc(C#N)n2)C1	ZINC000877724154	590402773	/nfs/dbraw/zinc/40/27/73/590402773.db2.gz	SXDOKWZAWZCEAL-UHFFFAOYSA-N	0	1	245.282	0.994	20	30		BCEDMN
C#CCCCCCCN(C)CCS(N)(=O)=O	ZINC000877826206	590428202	/nfs/dbraw/zinc/42/82/02/590428202.db2.gz	UCNSJXSQIQOSKN-UHFFFAOYSA-N	0	1	246.376	0.790	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)CC(C)(C)O	ZINC000878108664	590496731	/nfs/dbraw/zinc/49/67/31/590496731.db2.gz	LZQGNAARCLDCDI-VIFPVBQESA-N	0	1	215.293	0.807	20	30		BCEDMN
C=CC[C@H](C)N1CCO[C@H](CNC(C)=O)C1	ZINC000878112792	590497065	/nfs/dbraw/zinc/49/70/65/590497065.db2.gz	OKYGKZPUEAAWHP-CMPLNLGQSA-N	0	1	226.320	0.788	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@H](CO)C1	ZINC000878123547	590500342	/nfs/dbraw/zinc/50/03/42/590500342.db2.gz	BGDGQJGDQQBHML-VHSXEESVSA-N	0	1	213.277	0.418	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)Cc1nnc[nH]1	ZINC000878176306	590516521	/nfs/dbraw/zinc/51/65/21/590516521.db2.gz	JUMPRGPQZXISIB-QMMMGPOBSA-N	0	1	224.264	0.354	20	30		BCEDMN
C=CC[C@@H](C)N1CCN(C(=O)NC)CC1	ZINC000878261490	590527479	/nfs/dbraw/zinc/52/74/79/590527479.db2.gz	AQZCDQHTTNVLDW-SNVBAGLBSA-N	0	1	211.309	0.908	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N1CCN(C)[C@@H](C)C1	ZINC000878317829	590543664	/nfs/dbraw/zinc/54/36/64/590543664.db2.gz	WLCPCWJXVOZRJI-QWRGUYRKSA-N	0	1	226.320	0.740	20	30		BCEDMN
C#CCCCCCN1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000878319620	590545601	/nfs/dbraw/zinc/54/56/01/590545601.db2.gz	XOWBPWHAPDPOMM-LLVKDONJSA-N	0	1	249.314	0.416	20	30		BCEDMN
C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@@H]1O	ZINC000878335073	590549025	/nfs/dbraw/zinc/54/90/25/590549025.db2.gz	HTSVOUQCMRWIDV-KCJUWKMLSA-N	0	1	206.245	0.964	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N(C)CC1(O)CCC1	ZINC000878430693	590565994	/nfs/dbraw/zinc/56/59/94/590565994.db2.gz	OTEHPUTUSKDIBD-SNVBAGLBSA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@@H](C(=O)OC)N(C)CC1(O)CCC1	ZINC000878430692	590566692	/nfs/dbraw/zinc/56/66/92/590566692.db2.gz	OTEHPUTUSKDIBD-JTQLQIEISA-N	0	1	227.304	0.951	20	30		BCEDMN
C=CC[C@H](C(=O)OC)N1CC[C@](O)(CC)C1	ZINC000878465971	590573013	/nfs/dbraw/zinc/57/30/13/590573013.db2.gz	IZAPJNVYVILVJW-ZYHUDNBSSA-N	0	1	227.304	0.951	20	30		BCEDMN
C#C[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21	ZINC000878517528	590585355	/nfs/dbraw/zinc/58/53/55/590585355.db2.gz	SLJAGWOJZNLQGM-ZJUUUORDSA-N	0	1	204.277	0.719	20	30		BCEDMN
C#C[C@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21	ZINC000878517526	590585626	/nfs/dbraw/zinc/58/56/26/590585626.db2.gz	SLJAGWOJZNLQGM-VHSXEESVSA-N	0	1	204.277	0.719	20	30		BCEDMN
CNC(=O)[C@H]1CCN(Cc2ccc(C#N)o2)C1	ZINC000878721457	590615714	/nfs/dbraw/zinc/61/57/14/590615714.db2.gz	WYERUFJZJRJTSN-VIFPVBQESA-N	0	1	233.271	0.719	20	30		BCEDMN
C#CCN1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1	ZINC000878796285	590624761	/nfs/dbraw/zinc/62/47/61/590624761.db2.gz	GACSDDUUOFIQMZ-QMMMGPOBSA-N	0	1	219.244	0.310	20	30		BCEDMN
C#CCN(C[C@H](O)COC)C1CSC1	ZINC000878909619	590645860	/nfs/dbraw/zinc/64/58/60/590645860.db2.gz	HKWHAZBUWGSGOZ-JTQLQIEISA-N	0	1	215.318	0.044	20	30		BCEDMN
C#CCNC(=O)CN[C@@H](C)c1cnc(C)s1	ZINC000879250278	590721000	/nfs/dbraw/zinc/72/10/00/590721000.db2.gz	BOBHKBSZFQSYQV-QMMMGPOBSA-N	0	1	237.328	0.852	20	30		BCEDMN
CO[C@@H]1CC[C@H](C)N(CC(=O)NCCC#N)C1	ZINC000879319317	590740774	/nfs/dbraw/zinc/74/07/74/590740774.db2.gz	VJLAYENMDRVWCB-WDEREUQCSA-N	0	1	239.319	0.516	20	30		BCEDMN
C[C@@H](C(N)=O)N(C)CCc1cccc(C#N)c1	ZINC000879433490	590768442	/nfs/dbraw/zinc/76/84/42/590768442.db2.gz	USIFIIAZESFCHH-JTQLQIEISA-N	0	1	231.299	0.906	20	30		BCEDMN
C#CCCN1CC[C@@]2(CC(C(=O)OC)=NO2)C1	ZINC000879484682	590778918	/nfs/dbraw/zinc/77/89/18/590778918.db2.gz	WTOVCQIXAGVGEL-GFCCVEGCSA-N	0	1	236.271	0.404	20	30		BCEDMN
N#CCNC(=O)CN1CC[C@H]2CSC[C@@H]2C1	ZINC000879556673	590800695	/nfs/dbraw/zinc/80/06/95/590800695.db2.gz	GDJMGEQWWQZCED-UWVGGRQHSA-N	0	1	239.344	0.311	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)N1C[C@H](O)CC(C)(C)C1	ZINC000879618396	590832742	/nfs/dbraw/zinc/83/27/42/590832742.db2.gz	XTOUNFISFHLURN-GHMZBOCLSA-N	0	1	240.347	0.770	20	30		BCEDMN
C=CCCCN1CCC[C@@H]2OCCNC(=O)[C@H]21	ZINC000879719863	590854824	/nfs/dbraw/zinc/85/48/24/590854824.db2.gz	VBRHYESYNJIIID-RYUDHWBXSA-N	0	1	238.331	0.932	20	30		BCEDMN
C#CCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000879940472	590892124	/nfs/dbraw/zinc/89/21/24/590892124.db2.gz	OFFZAGSQPYRIGZ-RYUDHWBXSA-N	0	1	241.356	0.766	20	30		BCEDMN
C#CCN1CCN(C(=O)c2cc(CC)[nH]n2)CC1	ZINC000128204488	590929349	/nfs/dbraw/zinc/92/93/49/590929349.db2.gz	LJVNIPDICYLZNQ-UHFFFAOYSA-N	0	1	246.314	0.363	20	30		BCEDMN
C=CCNC(=O)CN1CCC[C@@H](CF)C1	ZINC000880234613	590964220	/nfs/dbraw/zinc/96/42/20/590964220.db2.gz	JVRXERSUHZKYMM-JTQLQIEISA-N	0	1	214.284	0.970	20	30		BCEDMN
C#CCO[C@@H](C)C(=O)Nc1cccc2[nH]nnc21	ZINC000880196200	590956683	/nfs/dbraw/zinc/95/66/83/590956683.db2.gz	IDEPXLKCGPYZHJ-QMMMGPOBSA-N	0	1	244.254	0.935	20	30		BCEDMN
N#CCCNC(=O)CN1CC[C@@H](CF)C1	ZINC000880292363	590987883	/nfs/dbraw/zinc/98/78/83/590987883.db2.gz	OUDRQTTWXKGYGR-VIFPVBQESA-N	0	1	213.256	0.308	20	30		BCEDMN
C=CCOCCN(CC(N)=O)C1CCOCC1	ZINC000880395926	591019351	/nfs/dbraw/zinc/01/93/51/591019351.db2.gz	UGTBORFDQWCHBY-UHFFFAOYSA-N	0	1	242.319	0.155	20	30		BCEDMN
C#CCC1(O)CCN([C@@H]2CCCNC2=O)CC1	ZINC000880481493	591055132	/nfs/dbraw/zinc/05/51/32/591055132.db2.gz	VHTKCYQVWPKSTK-LLVKDONJSA-N	0	1	236.315	0.115	20	30		BCEDMN
CC(C)C(N)=NOCCCS(C)(=O)=O	ZINC000128467379	591078217	/nfs/dbraw/zinc/07/82/17/591078217.db2.gz	UWKKGICUWKCJEV-UHFFFAOYSA-N	0	1	222.310	0.366	20	30		BCEDMN
CON=CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1	ZINC000880613295	591111212	/nfs/dbraw/zinc/11/12/12/591111212.db2.gz	SKLFOLVHHHHQJT-SNVBAGLBSA-N	0	1	241.335	0.807	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C1	ZINC000881938104	591279830	/nfs/dbraw/zinc/27/98/30/591279830.db2.gz	XBJJRYNUXUVGKK-VIFPVBQESA-N	0	1	247.273	0.698	20	30		BCEDMN
C#CC1(F)CN(C(=O)[C@H]2CCCN2C)C1	ZINC000881944572	591282461	/nfs/dbraw/zinc/28/24/61/591282461.db2.gz	PKKKWVZFOZTLHQ-SECBINFHSA-N	0	1	210.252	0.264	20	30		BCEDMN
C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC)cn1	ZINC000882486323	591362235	/nfs/dbraw/zinc/36/22/35/591362235.db2.gz	QCWPJIUAVPHDEF-ZDUSSCGKSA-N	0	1	243.310	0.887	20	30		BCEDMN
C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1CC	ZINC000882492679	591372500	/nfs/dbraw/zinc/37/25/00/591372500.db2.gz	BSYSXXJDCVCXSG-MNOVXSKESA-N	0	1	224.304	0.235	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)c1ccc(C#N)n1C	ZINC000882495238	591374186	/nfs/dbraw/zinc/37/41/86/591374186.db2.gz	XBDORCGIHPQIPG-NSHDSACASA-N	0	1	246.314	0.721	20	30		BCEDMN
CCc1nc(SCC(=O)NCCC#N)n[nH]1	ZINC000025317223	591380737	/nfs/dbraw/zinc/38/07/37/591380737.db2.gz	QSUFPHIJWGCJED-UHFFFAOYSA-N	0	1	239.304	0.489	20	30		BCEDMN
CCc1n[nH]c(SCC(=O)NCCC#N)n1	ZINC000025317223	591380742	/nfs/dbraw/zinc/38/07/42/591380742.db2.gz	QSUFPHIJWGCJED-UHFFFAOYSA-N	0	1	239.304	0.489	20	30		BCEDMN
C=C(C)C[C@H](CO)NS(=O)(=O)c1ncc[nH]1	ZINC000882847026	591454979	/nfs/dbraw/zinc/45/49/79/591454979.db2.gz	ZQNBPYLQIXBJES-MRVPVSSYSA-N	0	1	245.304	0.015	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCCN1C	ZINC000882894642	591467309	/nfs/dbraw/zinc/46/73/09/591467309.db2.gz	UWLOFMXAVCHVOI-RYUDHWBXSA-N	0	1	240.347	0.914	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CCc1c[nH]nn1	ZINC000882902881	591471875	/nfs/dbraw/zinc/47/18/75/591471875.db2.gz	RFBGSKRASRQKSG-JTQLQIEISA-N	0	1	238.291	0.181	20	30		BCEDMN
C=C(C)C[C@@H](CO)NC(=O)CCc1cnn[nH]1	ZINC000882902881	591471878	/nfs/dbraw/zinc/47/18/78/591471878.db2.gz	RFBGSKRASRQKSG-JTQLQIEISA-N	0	1	238.291	0.181	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCCO1	ZINC000131000223	591540641	/nfs/dbraw/zinc/54/06/41/591540641.db2.gz	RSCITUGMMWCCDM-ZJUUUORDSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc(C)nc1	ZINC000883123718	591543916	/nfs/dbraw/zinc/54/39/16/591543916.db2.gz	IOIKZNPQNLWLFU-LLVKDONJSA-N	0	1	205.261	0.259	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc2c(cn1)OCCO2	ZINC000883125404	591544152	/nfs/dbraw/zinc/54/41/52/591544152.db2.gz	IGSROHXNNTWSHX-SNVBAGLBSA-N	0	1	248.282	0.327	20	30		BCEDMN
C#CC[C@H](CO)NCc1cnc([C@@H](C)O)s1	ZINC000883125074	591544557	/nfs/dbraw/zinc/54/45/57/591544557.db2.gz	YFLNEGLGSADEFD-RKDXNWHRSA-N	0	1	240.328	0.670	20	30		BCEDMN
CC#CC[C@H](CO)NCc1cnc(Cl)n1C	ZINC000883156351	591556156	/nfs/dbraw/zinc/55/61/56/591556156.db2.gz	LXGHLDAJRXGGLA-SECBINFHSA-N	0	1	241.722	0.937	20	30		BCEDMN
C=C(C)C[C@@H](CO)NCc1ncnn1C	ZINC000883400835	591647553	/nfs/dbraw/zinc/64/75/53/591647553.db2.gz	WLXKQMSCGUKRDK-VIFPVBQESA-N	0	1	210.281	0.232	20	30		BCEDMN
C#CC1(F)CN(C(=O)NCc2cc(C)[nH]n2)C1	ZINC000883434569	591664243	/nfs/dbraw/zinc/66/42/43/591664243.db2.gz	VDBGWQBVLPERKK-UHFFFAOYSA-N	0	1	236.250	0.585	20	30		BCEDMN
CN1CCN(C(=O)NCCC#N)CC1(C)C	ZINC000883655733	591711262	/nfs/dbraw/zinc/71/12/62/591711262.db2.gz	KYIYEQZJNTWSMU-UHFFFAOYSA-N	0	1	224.308	0.636	20	30		BCEDMN
N#C[C@@H]1CNC[C@H]1NC(=O)c1c[nH]cc1C1CC1	ZINC000884250723	591884144	/nfs/dbraw/zinc/88/41/44/591884144.db2.gz	MGDKOJLGSPNWBN-BXKDBHETSA-N	0	1	244.298	0.733	20	30		BCEDMN
CNC(=O)CN(C)C[C@H](O)CC1(C#N)CCC1	ZINC000885952049	592113363	/nfs/dbraw/zinc/11/33/63/592113363.db2.gz	VEHFCZXOFNDPSG-SNVBAGLBSA-N	0	1	239.319	0.109	20	30		BCEDMN
C#CCCN1CCN(Cc2n[nH]cc2C)CC1	ZINC000886091808	592146232	/nfs/dbraw/zinc/14/62/32/592146232.db2.gz	HKAJOOGRBMWAPY-UHFFFAOYSA-N	0	1	232.331	0.859	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cc(C)n(C)n2)C1	ZINC000886209248	592176538	/nfs/dbraw/zinc/17/65/38/592176538.db2.gz	ITDJXXUMLPGRDU-ZDUSSCGKSA-N	0	1	246.358	0.916	20	30		BCEDMN
C#CCN1CCC[C@H](NCc2cc[nH]n2)C1	ZINC000886213219	592178391	/nfs/dbraw/zinc/17/83/91/592178391.db2.gz	NZGJVRWQFDYVRF-LBPRGKRZSA-N	0	1	218.304	0.597	20	30		BCEDMN
C#CC[C@@H]1CCN(CCS(=O)(=O)CC)C1	ZINC000886358459	592217041	/nfs/dbraw/zinc/21/70/41/592217041.db2.gz	VFDRKUKPBBWSIV-LLVKDONJSA-N	0	1	229.345	0.766	20	30		BCEDMN
Cc1ncc(C(=O)N2CCO[C@](C)(C#N)C2)[nH]1	ZINC000887674748	592539891	/nfs/dbraw/zinc/53/98/91/592539891.db2.gz	ILCCKBNLRVASCU-LLVKDONJSA-N	0	1	234.259	0.473	20	30		BCEDMN
C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)N(C)C	ZINC000887678492	592540507	/nfs/dbraw/zinc/54/05/07/592540507.db2.gz	CVWHDGCXUVAJDU-GXSJLCMTSA-N	0	1	225.292	0.078	20	30		BCEDMN
CCN1CC[C@H]1CNC(=O)N(C)C[C@H](C)C#N	ZINC000890073591	592677198	/nfs/dbraw/zinc/67/71/98/592677198.db2.gz	QSQKCEHYSDFNOT-MNOVXSKESA-N	0	1	238.335	0.882	20	30		BCEDMN
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000227148636	601516358	/nfs/dbraw/zinc/51/63/58/601516358.db2.gz	QDTKYOJKTHWIQS-KXUCPTDWSA-N	0	1	240.303	0.330	20	30		BCEDMN
N#CCC[N@H+](CCC(=O)[O-])C1CCOCC1	ZINC000390164823	597365507	/nfs/dbraw/zinc/36/55/07/597365507.db2.gz	DKWUMDVDCVXKLC-UHFFFAOYSA-N	0	1	226.276	0.856	20	30		BCEDMN
C=CCCC[N@H+](C)CCC(=O)NCC(=O)[O-]	ZINC000736102726	600262991	/nfs/dbraw/zinc/26/29/91/600262991.db2.gz	UOMOPZUVTQBJIJ-UHFFFAOYSA-N	0	1	228.292	0.475	20	30		BCEDMN
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(=O)[O-]	ZINC000251099102	600371570	/nfs/dbraw/zinc/37/15/70/600371570.db2.gz	MJIWUJYASZJVBM-DTWKUNHWSA-N	0	1	228.292	0.330	20	30		BCEDMN
N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](O)C2)cc1	ZINC000739105956	600572063	/nfs/dbraw/zinc/57/20/63/600572063.db2.gz	OYPIYPQACXCISD-RYUDHWBXSA-N	0	1	246.266	0.751	20	30		BCEDMN
N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](O)C2)cc1	ZINC000739105956	600572067	/nfs/dbraw/zinc/57/20/67/600572067.db2.gz	OYPIYPQACXCISD-RYUDHWBXSA-N	0	1	246.266	0.751	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000062936484	601942751	/nfs/dbraw/zinc/94/27/51/601942751.db2.gz	BUGIWFZLYPTUCX-NSHDSACASA-N	0	1	226.276	0.085	20	30		BCEDMN
CN(C[C@H]1CC[N@H+](CCC#N)C1)C(=O)[O-]	ZINC000739663078	602541436	/nfs/dbraw/zinc/54/14/36/602541436.db2.gz	AHQSJRKHIBPCBC-SECBINFHSA-N	0	1	211.265	0.832	20	30		BCEDMN
CN(C[C@H]1CC[N@@H+](CCC#N)C1)C(=O)[O-]	ZINC000739663078	602541439	/nfs/dbraw/zinc/54/14/39/602541439.db2.gz	AHQSJRKHIBPCBC-SECBINFHSA-N	0	1	211.265	0.832	20	30		BCEDMN
CC#CC[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000738502465	603347064	/nfs/dbraw/zinc/34/70/64/603347064.db2.gz	DQPRXHMNYOXFLT-ZJUUUORDSA-N	0	1	210.277	0.988	20	30		BCEDMN
C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000042163878	604966391	/nfs/dbraw/zinc/96/63/91/604966391.db2.gz	LREPNPNQPVKOOI-SECBINFHSA-N	0	1	226.276	0.228	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)CC(C)C	ZINC000124953199	634448675	/nfs/dbraw/zinc/44/86/75/634448675.db2.gz	SAMVASCYWHZLNZ-JTQLQIEISA-N	0	1	240.303	0.894	20	30		BCEDMN
C#CCOCCN1Cc2c[nH]nc2[C@H](C)C1	ZINC000931468248	634471366	/nfs/dbraw/zinc/47/13/66/634471366.db2.gz	WPODIQJNFYOJMD-SNVBAGLBSA-N	0	1	219.288	0.979	20	30		BCEDMN
COC1(OC)CCN(CCCC#N)C[C@H]1O	ZINC000931632729	635146957	/nfs/dbraw/zinc/14/69/57/635146957.db2.gz	XTVQAJWQUUKBOH-SNVBAGLBSA-N	0	1	228.292	0.346	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F	ZINC001027875771	635185449	/nfs/dbraw/zinc/18/54/49/635185449.db2.gz	XRNIZOXBQWQKBH-ZJUUUORDSA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C	ZINC001028076693	635352190	/nfs/dbraw/zinc/35/21/90/635352190.db2.gz	VEUPGLIDHLOPEF-GRYCIOLGSA-N	0	1	220.316	0.856	20	30		BCEDMN
N#Cc1cc(CN2CC[C@@H](C(N)=O)C2)cs1	ZINC000891440220	631286028	/nfs/dbraw/zinc/28/60/28/631286028.db2.gz	KCGLCCONAVITKP-SECBINFHSA-N	0	1	235.312	0.927	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)c2n[nH]cc2C)C1	ZINC000971518117	631288647	/nfs/dbraw/zinc/28/86/47/631288647.db2.gz	POBLXQWILVSULK-NSHDSACASA-N	0	1	246.314	0.498	20	30		BCEDMN
N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]2CO)CC1	ZINC000934014174	631594415	/nfs/dbraw/zinc/59/44/15/631594415.db2.gz	ZKGPUCLLPNWRSE-ZJUUUORDSA-N	0	1	210.277	0.108	20	30		BCEDMN
N#Cc1ccc([C@@H](O)CN2CC[C@@H]2CO)cc1	ZINC000934024756	631598898	/nfs/dbraw/zinc/59/88/98/631598898.db2.gz	GKBCVDGKLDAYMB-OLZOCXBDSA-N	0	1	232.283	0.658	20	30		BCEDMN
CN(C)c1ccnc(CNC(=O)CC#N)c1	ZINC000927699644	635685130	/nfs/dbraw/zinc/68/51/30/635685130.db2.gz	AZEXITSXFODLCS-UHFFFAOYSA-N	0	1	218.260	0.677	20	30		BCEDMN
C#CCCCN1CCC(S(C)(=O)=O)CC1	ZINC000309012351	631798728	/nfs/dbraw/zinc/79/87/28/631798728.db2.gz	XSEVTKKZEJMQID-UHFFFAOYSA-N	0	1	229.345	0.909	20	30		BCEDMN
C#C[C@H]1CCCCN1CCN1CCOC1=O	ZINC000934511074	631892772	/nfs/dbraw/zinc/89/27/72/631892772.db2.gz	ITLKCCIKXOTODB-NSHDSACASA-N	0	1	222.288	0.926	20	30		BCEDMN
C#C[C@H]1CCCCN1CCN1C(=O)N[C@H](C)C1=O	ZINC000934514718	631895124	/nfs/dbraw/zinc/89/51/24/631895124.db2.gz	ANGCCQABCJJYKS-MNOVXSKESA-N	0	1	249.314	0.414	20	30		BCEDMN
C=CCN1CCC[C@@H](NC(=O)c2ccnn2C)C1	ZINC001006876163	632016952	/nfs/dbraw/zinc/01/69/52/632016952.db2.gz	SOSHTULBHRLFEM-LLVKDONJSA-N	0	1	248.330	0.800	20	30		BCEDMN
C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccnnc2)C1	ZINC000972414869	632025361	/nfs/dbraw/zinc/02/53/61/632025361.db2.gz	FRPGLKXPAFLSPO-LBPRGKRZSA-N	0	1	246.314	0.809	20	30		BCEDMN
CC[C@@H](NN=C1C[C@H](C)[N@H+](C)C1)C(=O)[O-]	ZINC000308877534	632061233	/nfs/dbraw/zinc/06/12/33/632061233.db2.gz	SQMCBZALLOEYPD-IONNQARKSA-N	0	1	213.281	0.519	20	30		BCEDMN
CC[C@@H](NN=C1C[C@H](C)[N@@H+](C)C1)C(=O)[O-]	ZINC000308877534	632061239	/nfs/dbraw/zinc/06/12/39/632061239.db2.gz	SQMCBZALLOEYPD-IONNQARKSA-N	0	1	213.281	0.519	20	30		BCEDMN
C#CCNC(=O)CN1CCC(C)(OCC)CC1	ZINC000310378669	635777760	/nfs/dbraw/zinc/77/77/60/635777760.db2.gz	GMOIELCQDWLDDX-UHFFFAOYSA-N	0	1	238.331	0.627	20	30		BCEDMN
CCC(CC)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000309499259	632416613	/nfs/dbraw/zinc/41/66/13/632416613.db2.gz	LAVBWPCDLWFFBR-VHSXEESVSA-N	0	1	209.293	0.650	20	30		BCEDMN
C#CCN1CCC[C@@H](CNC(=O)c2cocn2)C1	ZINC001023261815	632429057	/nfs/dbraw/zinc/42/90/57/632429057.db2.gz	KWUSHWRKYSWCNO-NSHDSACASA-N	0	1	247.298	0.750	20	30		BCEDMN
CC(C)[C@H](C)C(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000309509471	632432498	/nfs/dbraw/zinc/43/24/98/632432498.db2.gz	ORDAMHSHAZMWON-LPEHRKFASA-N	0	1	209.293	0.506	20	30		BCEDMN
COC[C@H](CO)NCC#Cc1ccccc1	ZINC000229190972	632524955	/nfs/dbraw/zinc/52/49/55/632524955.db2.gz	JXXISLICWLNEFK-ZDUSSCGKSA-N	0	1	219.284	0.635	20	30		BCEDMN
CN1CCC[C@H]1C(=O)N1CCC[C@H](C#N)C1	ZINC000260114909	632603128	/nfs/dbraw/zinc/60/31/28/632603128.db2.gz	RELMONZZIOFXGU-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)CCF	ZINC000892499588	632804888	/nfs/dbraw/zinc/80/48/88/632804888.db2.gz	YUJHMVOKLWVYAD-ZETCQYMHSA-N	0	1	200.213	0.579	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncn[n-]1	ZINC001024716506	632839702	/nfs/dbraw/zinc/83/97/02/632839702.db2.gz	XCLRGGNCBJZIPV-SNVBAGLBSA-N	0	1	247.302	0.022	20	30		BCEDMN
CCOc1ccc(C=NNC2=NCCN2)cc1	ZINC000256004374	633091300	/nfs/dbraw/zinc/09/13/00/633091300.db2.gz	UJOLXORTGYLPKT-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NCC#N)C2)c1C	ZINC001020029863	633807300	/nfs/dbraw/zinc/80/73/00/633807300.db2.gz	VJJROTFHRUHJFD-MGCOHNPYSA-N	0	1	247.302	0.401	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](C)CO1	ZINC001025906414	633817759	/nfs/dbraw/zinc/81/77/59/633817759.db2.gz	NGOUGVGQAKGQTI-BNDIWNMDSA-N	0	1	248.326	0.091	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C	ZINC001026123084	633851358	/nfs/dbraw/zinc/85/13/58/633851358.db2.gz	BXQSHNRGEVVLRW-JZRPKSSGSA-N	0	1	248.326	0.091	20	30		BCEDMN
CN1CCN(N=Cc2ccc(N)nc2)CC1	ZINC000309310300	633893794	/nfs/dbraw/zinc/89/37/94/633893794.db2.gz	WUJJPGOXATWAHW-UHFFFAOYSA-N	0	1	219.292	0.245	20	30		BCEDMN
C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C1CC1	ZINC000309500409	633937799	/nfs/dbraw/zinc/93/77/99/633937799.db2.gz	LKSDYDPGVIVLKV-SFGNSQDASA-N	0	1	207.277	0.260	20	30		BCEDMN
CN(C[C@H](O)CC#N)[C@@H](CO)Cc1ccccc1	ZINC000930921400	634182180	/nfs/dbraw/zinc/18/21/80/634182180.db2.gz	HVXPZBBKGSKNRI-ZIAGYGMSSA-N	0	1	248.326	0.796	20	30		BCEDMN
N#Cc1ccc(C(=O)NCCCc2nc[nH]n2)o1	ZINC000311092766	634217115	/nfs/dbraw/zinc/21/71/15/634217115.db2.gz	OHIONGNGIDXWLZ-UHFFFAOYSA-N	0	1	245.242	0.632	20	30		BCEDMN
CO[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1	ZINC000120287465	634239586	/nfs/dbraw/zinc/23/95/86/634239586.db2.gz	OSSVAOHGHVODRY-WPRPVWTQSA-N	0	1	238.287	0.789	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1	ZINC001027735955	635131012	/nfs/dbraw/zinc/13/10/12/635131012.db2.gz	BOGWTULXTSWSRM-NEPJUHHUSA-N	0	1	236.315	0.379	20	30		BCEDMN
Cc1cc(C=NNC2=NCCN2)cc(Cl)n1	ZINC000841659723	635149850	/nfs/dbraw/zinc/14/98/50/635149850.db2.gz	BWJMVHDMSVKQFH-UHFFFAOYSA-N	0	1	237.694	0.926	20	30		BCEDMN
C#CCN1CCC[C@@H]1CNC(=O)c1ccnn1C	ZINC001027781635	635150018	/nfs/dbraw/zinc/15/00/18/635150018.db2.gz	BLYPHKWFDHZMEI-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
CC#CCN1CCC[C@H]1CNC(=O)c1ncc[nH]1	ZINC001027873767	635186521	/nfs/dbraw/zinc/18/65/21/635186521.db2.gz	FLUNIXBOFKSCBN-NSHDSACASA-N	0	1	246.314	0.627	20	30		BCEDMN
CC(=NNC1=NCCN1)c1cc(C)ccc1O	ZINC000841663482	635191309	/nfs/dbraw/zinc/19/13/09/635191309.db2.gz	ZEWVFVDQVLKDST-UHFFFAOYSA-N	0	1	232.287	0.973	20	30		BCEDMN
CCN1CCN(c2cc(C#N)nc(C)n2)CC1	ZINC000258992730	635230529	/nfs/dbraw/zinc/23/05/29/635230529.db2.gz	PKFDCCPZLHSXSD-UHFFFAOYSA-N	0	1	231.303	0.799	20	30		BCEDMN
C=C[C@H](CO)N[C@@H]1CCCc2n[nH]cc21	ZINC000336724456	635255860	/nfs/dbraw/zinc/25/58/60/635255860.db2.gz	FVWUYGNNRPOUIS-PSASIEDQSA-N	0	1	207.277	0.924	20	30		BCEDMN
C=CCN1CCCN(C(=O)c2cnn(C)c2)CC1	ZINC000980685750	635257447	/nfs/dbraw/zinc/25/74/47/635257447.db2.gz	BPCBDTZURIRAHG-UHFFFAOYSA-N	0	1	248.330	0.754	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2cc(C)n(C)n2)C1	ZINC001010342548	635382834	/nfs/dbraw/zinc/38/28/34/635382834.db2.gz	WHLLCUBMOAXAIG-LLVKDONJSA-N	0	1	248.330	0.719	20	30		BCEDMN
CC#CCN1CC[C@H](NC(=O)[C@H]2CCOC2)C1	ZINC001010362761	635424409	/nfs/dbraw/zinc/42/44/09/635424409.db2.gz	WRHGHCSGYAKIRH-RYUDHWBXSA-N	0	1	236.315	0.237	20	30		BCEDMN
C=CCN1CCC[C@H]1CNC(=O)c1cnn(C)n1	ZINC001028198231	635466564	/nfs/dbraw/zinc/46/65/64/635466564.db2.gz	BFKPVPFZQQGIHN-JTQLQIEISA-N	0	1	249.318	0.195	20	30		BCEDMN
C=CCN1CCC[C@@H]1CNC(=O)c1cnn(C)n1	ZINC001028198232	635466759	/nfs/dbraw/zinc/46/67/59/635466759.db2.gz	BFKPVPFZQQGIHN-SNVBAGLBSA-N	0	1	249.318	0.195	20	30		BCEDMN
Cc1ncc(C(=O)N2CC[C@H](NCC#N)[C@@H]2C)[nH]1	ZINC000986059801	636483087	/nfs/dbraw/zinc/48/30/87/636483087.db2.gz	YBQHEIIZAKYHOG-WPRPVWTQSA-N	0	1	247.302	0.434	20	30		BCEDMN
C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cc1ccn[nH]1	ZINC000986080629	636490777	/nfs/dbraw/zinc/49/07/77/636490777.db2.gz	FUNCCSZSTXVMIT-ONGXEEELSA-N	0	1	247.302	0.055	20	30		BCEDMN
C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)COC)C1	ZINC000987659570	636658095	/nfs/dbraw/zinc/65/80/95/636658095.db2.gz	ULRVYRLPKXMRPE-UWVGGRQHSA-N	0	1	246.738	0.964	20	30		BCEDMN
C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)COC)C1	ZINC000987659572	636659478	/nfs/dbraw/zinc/65/94/78/636659478.db2.gz	ULRVYRLPKXMRPE-VHSXEESVSA-N	0	1	246.738	0.964	20	30		BCEDMN
Cc1ncc(C(=O)N2C[C@H](NCC#N)C[C@H]2C)[nH]1	ZINC000988364613	636696857	/nfs/dbraw/zinc/69/68/57/636696857.db2.gz	GRNGWFMRMHQWRO-PSASIEDQSA-N	0	1	247.302	0.434	20	30		BCEDMN
COc1ccc(C(C)=NNC2=NCCN2)cc1	ZINC000254817932	636783177	/nfs/dbraw/zinc/78/31/77/636783177.db2.gz	BWTRHXMZWNQTNY-UHFFFAOYSA-N	0	1	232.287	0.968	20	30		BCEDMN
C=CC[C@H](CO)NC(=O)c1cncc2nc[nH]c21	ZINC000897649043	636831284	/nfs/dbraw/zinc/83/12/84/636831284.db2.gz	NDGOFXHTVHIBHM-MRVPVSSYSA-N	0	1	246.270	0.625	20	30		BCEDMN
C#CCNCC(=O)NCC1CCCCC1	ZINC000082239337	636868925	/nfs/dbraw/zinc/86/89/25/636868925.db2.gz	BEIPCNHODDWKIO-UHFFFAOYSA-N	0	1	208.305	0.906	20	30		BCEDMN
C#CCN1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12	ZINC000989883531	636887817	/nfs/dbraw/zinc/88/78/17/636887817.db2.gz	KMSFRJHDKOWEDQ-CABZTGNLSA-N	0	1	242.269	0.998	20	30		BCEDMN
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C=CCN1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1	ZINC001010495733	643179709	/nfs/dbraw/zinc/17/97/09/643179709.db2.gz	JXZLOLIJJJPWPX-LLVKDONJSA-N	0	1	247.298	0.777	20	30		BCEDMN
C#CCN1CC[C@H](NC(=O)c2cnco2)[C@H](C)C1	ZINC000942540619	643196139	/nfs/dbraw/zinc/19/61/39/643196139.db2.gz	NDHBNWJDCVDYEO-MNOVXSKESA-N	0	1	247.298	0.748	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2nocc2C)C1	ZINC001032107439	643262019	/nfs/dbraw/zinc/26/20/19/643262019.db2.gz	IGUWVMQTRWHCTL-UHFFFAOYSA-N	0	1	235.287	0.831	20	30		BCEDMN
C=C(C)CN1CC(CNC(=O)c2ccn(C)n2)C1	ZINC001032184139	643280184	/nfs/dbraw/zinc/28/01/84/643280184.db2.gz	BTKGSYYMQFYTJI-UHFFFAOYSA-N	0	1	248.330	0.658	20	30		BCEDMN
C=CCN1CC(CNC(=O)c2ccn(C)n2)C1	ZINC001032187541	643286240	/nfs/dbraw/zinc/28/62/40/643286240.db2.gz	XMXNPGPCQPTJFM-UHFFFAOYSA-N	0	1	234.303	0.268	20	30		BCEDMN
C=CCN1CC([C@@H](C)NC(=O)c2cnco2)C1	ZINC000970229559	643401950	/nfs/dbraw/zinc/40/19/50/643401950.db2.gz	VIYIIHBQMSHFIQ-SECBINFHSA-N	0	1	235.287	0.911	20	30		BCEDMN
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO1	ZINC001032266928	643416664	/nfs/dbraw/zinc/41/66/64/643416664.db2.gz	YDLHPDRFOZLBQG-RWMBFGLXSA-N	0	1	248.326	0.474	20	30		BCEDMN
CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N	ZINC001032312077	643490254	/nfs/dbraw/zinc/49/02/54/643490254.db2.gz	CMRQUPHFRBTZIF-DCAQKATOSA-N	0	1	221.304	0.841	20	30		BCEDMN
N#C[C@@H](NC(=O)c1ncn[nH]1)C1CCCC1	ZINC000921547209	643600013	/nfs/dbraw/zinc/60/00/13/643600013.db2.gz	IXFHQDWPNRVGFW-MRVPVSSYSA-N	0	1	219.248	0.617	20	30		BCEDMN
N#C[C@@H](NC(=O)c1nc[nH]n1)C1CCCC1	ZINC000921547209	643600016	/nfs/dbraw/zinc/60/00/16/643600016.db2.gz	IXFHQDWPNRVGFW-MRVPVSSYSA-N	0	1	219.248	0.617	20	30		BCEDMN
N#C[C@H](NC(=O)Cc1nnc[nH]1)C1CCCC1	ZINC000921551890	643603323	/nfs/dbraw/zinc/60/33/23/643603323.db2.gz	AOEIHVTXDFEYKG-VIFPVBQESA-N	0	1	233.275	0.546	20	30		BCEDMN
C#CCN(C)[C@H]1CCN(C(=O)C(F)F)C1	ZINC000970925757	643619114	/nfs/dbraw/zinc/61/91/14/643619114.db2.gz	WTFANPUGTMGIPN-QMMMGPOBSA-N	0	1	216.231	0.417	20	30		BCEDMN
C#CCN(C)C(=O)NC[C@@H]1CCN1CC	ZINC000890061435	643737801	/nfs/dbraw/zinc/73/78/01/643737801.db2.gz	HSXYYPHNLJKGHK-JTQLQIEISA-N	0	1	209.293	0.355	20	30		BCEDMN
C#CCN(C1CCN(C)CC1)S(=O)(=O)CC	ZINC000922022810	643847155	/nfs/dbraw/zinc/84/71/55/643847155.db2.gz	AYMWIULHXRJUSW-UHFFFAOYSA-N	0	1	244.360	0.366	20	30		BCEDMN
C#CC1(NC(=O)Cc2n[nH]c(C)n2)CCCC1	ZINC000922218922	643908967	/nfs/dbraw/zinc/90/89/67/643908967.db2.gz	PTHASAZEUNONCB-UHFFFAOYSA-N	0	1	232.287	0.718	20	30		BCEDMN
C=C[C@H](CO)NCc1cnn(CCF)c1	ZINC000922264049	643935306	/nfs/dbraw/zinc/93/53/06/643935306.db2.gz	NNKSGLNHARXVCQ-SNVBAGLBSA-N	0	1	213.256	0.489	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)NCC1(CC#N)CC1	ZINC000922303614	643962726	/nfs/dbraw/zinc/96/27/26/643962726.db2.gz	KTPUGIYMQIWGNO-JTQLQIEISA-N	0	1	236.319	0.684	20	30		BCEDMN
C[C@H](O)[C@@H](O)CNCc1csc(C#N)c1	ZINC000922308567	643965173	/nfs/dbraw/zinc/96/51/73/643965173.db2.gz	FEWCVWLNROCKBB-XVKPBYJWSA-N	0	1	226.301	0.451	20	30		BCEDMN
C=CC[N@H+](CCC(C)(C)O)CC(=O)[O-]	ZINC000086236952	643965621	/nfs/dbraw/zinc/96/56/21/643965621.db2.gz	NUSONFYPSNMZHT-UHFFFAOYSA-N	0	1	201.266	0.720	20	30		BCEDMN
C#C[C@H](CC)NC(=O)NC[C@@H]1CCN1C	ZINC000922526823	644014309	/nfs/dbraw/zinc/01/43/09/644014309.db2.gz	UXNIRQRFXKQRNJ-ZJUUUORDSA-N	0	1	209.293	0.402	20	30		BCEDMN
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCN1C	ZINC000922720624	644076103	/nfs/dbraw/zinc/07/61/03/644076103.db2.gz	ZOFBTJVKDUJFEA-MXWKQRLJSA-N	0	1	239.319	0.333	20	30		BCEDMN
C=C(CC)CNC(=O)NC[C@@H]1CCN1C	ZINC000922779023	644094664	/nfs/dbraw/zinc/09/46/64/644094664.db2.gz	NWMGBBABTLKULV-JTQLQIEISA-N	0	1	211.309	0.956	20	30		BCEDMN
COCCNC(=O)C(C#N)C(=O)CC(C)(C)C	ZINC000193412086	644238602	/nfs/dbraw/zinc/23/86/02/644238602.db2.gz	WUPWFGHHBQGWPX-SECBINFHSA-N	0	1	240.303	0.894	20	30		BCEDMN
C=C[C@H](C)ONC(=O)NC[C@@H]1CCN1C	ZINC000923086904	644264918	/nfs/dbraw/zinc/26/49/18/644264918.db2.gz	RCUZDAKKAMOXBQ-IUCAKERBSA-N	0	1	213.281	0.496	20	30		BCEDMN
C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C	ZINC000923218704	644290814	/nfs/dbraw/zinc/29/08/14/644290814.db2.gz	XVDZHMHQRNDOLM-LPEHRKFASA-N	0	1	209.293	0.400	20	30		BCEDMN
C#CCNC(=O)[C@H](C)N1CCC(OCC)CC1	ZINC000193780816	644280378	/nfs/dbraw/zinc/28/03/78/644280378.db2.gz	BCRBXXGIPDVEHX-NSHDSACASA-N	0	1	238.331	0.625	20	30		BCEDMN
C#CCNCC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000082344094	644367914	/nfs/dbraw/zinc/36/79/14/644367914.db2.gz	VZSFJTTWXKHDRW-GHMZBOCLSA-N	0	1	208.305	0.999	20	30		BCEDMN
C#CCN1CCC[C@@H](NC(=O)/C=C/C)C1	ZINC000923554763	644496647	/nfs/dbraw/zinc/49/66/47/644496647.db2.gz	OYKULUDBOFJEPW-ZXCPCRMDSA-N	0	1	206.289	0.776	20	30		BCEDMN
C#CC(=O)NCCN1CCc2ccccc2C1	ZINC000753919503	644606797	/nfs/dbraw/zinc/60/67/97/644606797.db2.gz	VGRNVVGDWHFITI-UHFFFAOYSA-N	0	1	228.295	0.794	20	30		BCEDMN
C#CCOCCC(=O)OCc1n[nH]c(CC)n1	ZINC000754856877	644612807	/nfs/dbraw/zinc/61/28/07/644612807.db2.gz	GMFMQIWGSIGCMT-UHFFFAOYSA-N	0	1	237.259	0.450	20	30		BCEDMN
C=CCN(CC(=O)[O-])c1cc[nH+]c(N(C)C)n1	ZINC000092464698	644658860	/nfs/dbraw/zinc/65/88/60/644658860.db2.gz	RULXJHFVKFVWDS-UHFFFAOYSA-N	0	1	236.275	0.620	20	30		BCEDMN
Cc1cc(C)c(C=NNC2=NC[C@@H](C)N2)[nH]1	ZINC000779797242	644714528	/nfs/dbraw/zinc/71/45/28/644714528.db2.gz	CRROXEAQOXGSFK-SECBINFHSA-N	0	1	219.292	0.903	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cnn3cccnc23)N1	ZINC000779797952	644715365	/nfs/dbraw/zinc/71/53/65/644715365.db2.gz	LXONNWBZCXEJEL-QMMMGPOBSA-N	0	1	243.274	0.001	20	30		BCEDMN
C[C@H]1CN=C(NN=Cc2cccc(F)c2O)N1	ZINC000779804650	644717410	/nfs/dbraw/zinc/71/74/10/644717410.db2.gz	GIIQONQVESRSOC-ZETCQYMHSA-N	0	1	236.250	0.803	20	30		BCEDMN
CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C	ZINC000958267558	644784753	/nfs/dbraw/zinc/78/47/53/644784753.db2.gz	CEEFHJNAEWIXHJ-GDNZZTSVSA-N	0	1	220.316	0.712	20	30		BCEDMN
C#CCCN1CCN(Cc2ncccn2)CC1	ZINC000792264385	644795628	/nfs/dbraw/zinc/79/56/28/644795628.db2.gz	NVRXBMIHBCZEDQ-UHFFFAOYSA-N	0	1	230.315	0.618	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccoc1	ZINC000958646241	644817293	/nfs/dbraw/zinc/81/72/93/644817293.db2.gz	CLFSUCZAUCSEEZ-IMRBUKKESA-N	0	1	244.294	0.502	20	30		BCEDMN
C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F	ZINC000958800989	644828519	/nfs/dbraw/zinc/82/85/19/644828519.db2.gz	NIPIPZQEZHNZHI-QCLAVDOMSA-N	0	1	240.253	0.321	20	30		BCEDMN
CC#CC(=O)N[C@@H](CCC)c1nn[nH]n1	ZINC000801166461	644838941	/nfs/dbraw/zinc/83/89/41/644838941.db2.gz	JHTCQQZNKTUIKV-ZETCQYMHSA-N	0	1	207.237	0.180	20	30		BCEDMN
CC#CC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000801157788	644839666	/nfs/dbraw/zinc/83/96/66/644839666.db2.gz	AGQKGKGZCWWKQT-UHFFFAOYSA-N	0	1	219.248	0.109	20	30		BCEDMN
C[C@H](C#N)OCCN1CCC[C@H]1C(=O)N(C)C	ZINC000801912320	644846112	/nfs/dbraw/zinc/84/61/12/644846112.db2.gz	NCGVHILSLPYUIM-MNOVXSKESA-N	0	1	239.319	0.468	20	30		BCEDMN
Cc1nc(COC(=O)CCCC#N)n[nH]1	ZINC000813076130	644936726	/nfs/dbraw/zinc/93/67/26/644936726.db2.gz	KKPFPYSCAMURCN-UHFFFAOYSA-N	0	1	208.221	0.850	20	30		BCEDMN
CCn1ccnc1C=NNc1cnnn1C	ZINC000814983949	644947588	/nfs/dbraw/zinc/94/75/88/644947588.db2.gz	QQBORGUTDMUTTG-UHFFFAOYSA-N	0	1	219.252	0.478	20	30		BCEDMN
C=C(CC)Cn1c(N)nc(-c2nn[nH]n2)c1C#N	ZINC000823882584	645051696	/nfs/dbraw/zinc/05/16/96/645051696.db2.gz	ADMJXTYINAQGSC-UHFFFAOYSA-N	0	1	244.262	0.483	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)C1=NC(=O)N(C)C1	ZINC000828041238	645092146	/nfs/dbraw/zinc/09/21/46/645092146.db2.gz	VHVHLNLYJAEQAT-SSDOTTSWSA-N	0	1	209.249	0.820	20	30		BCEDMN
CC(C)C#CC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000828083409	645095034	/nfs/dbraw/zinc/09/50/34/645095034.db2.gz	OURLHEPDQGNBLU-UHFFFAOYSA-N	0	1	247.302	0.745	20	30		BCEDMN
C#CCCCCNC(=O)N1CCNCC1	ZINC000841857853	645229629	/nfs/dbraw/zinc/22/96/29/645229629.db2.gz	BNMRMBIYOSNINB-UHFFFAOYSA-N	0	1	209.293	0.405	20	30		BCEDMN
CNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000845446122	645361316	/nfs/dbraw/zinc/36/13/16/645361316.db2.gz	XHBASAMDQJRACO-IVZWLZJFSA-N	0	1	220.272	0.877	20	30		BCEDMN
O=C(C#CC1CC1)NCCCc1nc[nH]n1	ZINC000847028140	645420186	/nfs/dbraw/zinc/42/01/86/645420186.db2.gz	JRIFOTHSQRRYRT-UHFFFAOYSA-N	0	1	218.260	0.267	20	30		BCEDMN
C=C(C)C[C@H](CO)N[C@@H](C)c1cnn(C)n1	ZINC000926866887	645462296	/nfs/dbraw/zinc/46/22/96/645462296.db2.gz	ZGVIZUVKTZHHHO-VHSXEESVSA-N	0	1	224.308	0.793	20	30		BCEDMN
C#CCNC(=O)CN1C[C@]2(C)COC[C@]2(C)C1	ZINC000852464216	645482350	/nfs/dbraw/zinc/48/23/50/645482350.db2.gz	LXPWTLGXEIGEIR-BETUJISGSA-N	0	1	236.315	0.094	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N([C@H](C)C#N)C1CC1	ZINC000855583454	645531716	/nfs/dbraw/zinc/53/17/16/645531716.db2.gz	YYZDOBABFCMCJE-ZCFIWIBFSA-N	0	1	219.248	0.630	20	30		BCEDMN
Cc1nn[nH]c1C(=O)N([C@@H](C)C#N)C1CC1	ZINC000855583453	645531732	/nfs/dbraw/zinc/53/17/32/645531732.db2.gz	YYZDOBABFCMCJE-LURJTMIESA-N	0	1	219.248	0.630	20	30		BCEDMN
O[C@@H]1CCC[C@H]1NN=C1CN2C[C@@H]1CCC2	ZINC000863119008	645703554	/nfs/dbraw/zinc/70/35/54/645703554.db2.gz	HLLJLGCHBXCNKG-HOSYDEDBSA-N	0	1	223.320	0.571	20	30		BCEDMN
C#CC[C@@H](COC)NC(=O)[C@@H]1CCCN1C	ZINC000863799832	645706463	/nfs/dbraw/zinc/70/64/63/645706463.db2.gz	RGSPFJHSCNCYID-QWRGUYRKSA-N	0	1	224.304	0.235	20	30		BCEDMN
N#C[C@@H]1CCCN(C(=O)CCCc2nn[nH]n2)C1	ZINC000928214513	645709634	/nfs/dbraw/zinc/70/96/34/645709634.db2.gz	PLSKGKHHEWAGAZ-VIFPVBQESA-N	0	1	248.290	0.285	20	30		BCEDMN
C#CCC1(O)CCN(CC#CCOC)CC1	ZINC000880480705	645832408	/nfs/dbraw/zinc/83/24/08/645832408.db2.gz	CKYQEOUTTCAMCK-UHFFFAOYSA-N	0	1	221.300	0.486	20	30		BCEDMN
C[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)N(C)C	ZINC000928799518	645858861	/nfs/dbraw/zinc/85/88/61/645858861.db2.gz	CXUMXKOXCNJYJX-NKWVEPMBSA-N	0	1	237.225	0.897	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)Cc1ccc(C#N)nc1	ZINC000928579048	645837467	/nfs/dbraw/zinc/83/74/67/645837467.db2.gz	POXDCXQATBWFHD-LBPRGKRZSA-N	0	1	244.298	0.316	20	30		BCEDMN
C#CC[C@@H](CO)NCc1cnc(N(C)C)nc1	ZINC000883124061	645848159	/nfs/dbraw/zinc/84/81/59/645848159.db2.gz	UTSKRMLZGZPXHR-NSHDSACASA-N	0	1	234.303	0.016	20	30		BCEDMN
C#CC[C@H](CO)NCc1cc(C(F)(F)F)n[nH]1	ZINC000883124227	645848243	/nfs/dbraw/zinc/84/82/43/645848243.db2.gz	AZAFLBJDNIVUJW-SSDOTTSWSA-N	0	1	247.220	0.902	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@](C)(O)C=C)CC1	ZINC000928651344	645851990	/nfs/dbraw/zinc/85/19/90/645851990.db2.gz	SJPAGPISRANGKQ-ZDUSSCGKSA-N	0	1	236.315	0.137	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H]2CC2(F)F)CC1	ZINC000928651591	645853563	/nfs/dbraw/zinc/85/35/63/645853563.db2.gz	WUTBTDALWFYXMW-JTQLQIEISA-N	0	1	242.269	0.855	20	30		BCEDMN
C#CCN1CCC(NC(=O)[C@@H](C#N)CC)CC1	ZINC000928649354	645853768	/nfs/dbraw/zinc/85/37/68/645853768.db2.gz	ILIKGOCCVNAYJM-LLVKDONJSA-N	0	1	233.315	0.750	20	30		BCEDMN
C=CCN1CC(=O)N([C@H](C)c2n[nH]c(C)n2)C1=O	ZINC000929008323	645927620	/nfs/dbraw/zinc/92/76/20/645927620.db2.gz	UAHNIYVXEKEZPN-SSDOTTSWSA-N	0	1	249.274	0.624	20	30		BCEDMN
C#CCN(C)CCCNC(=O)c1cc(=O)cc[nH]1	ZINC000929083617	645934538	/nfs/dbraw/zinc/93/45/38/645934538.db2.gz	MHUHPERGHLEGDA-UHFFFAOYSA-N	0	1	247.298	0.060	20	30		BCEDMN
C#CC[C@H](CO)NCc1oc(C)nc1C	ZINC000723630523	711527287	/nfs/dbraw/zinc/52/72/87/711527287.db2.gz	FOOZKOPWVHTCSF-SNVBAGLBSA-N	0	1	208.261	0.765	20	30		BCEDMN
C=C1CCN(CC2CN(S(C)(=O)=O)C2)CC1	ZINC000929605539	646196377	/nfs/dbraw/zinc/19/63/77/646196377.db2.gz	ZAPIHFJYZBQKLO-UHFFFAOYSA-N	0	1	244.360	0.530	20	30		BCEDMN
C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CCN2C)C1=O	ZINC000925196920	646207745	/nfs/dbraw/zinc/20/77/45/646207745.db2.gz	POGTZXCXICSAGE-VHSXEESVSA-N	0	1	237.303	0.577	20	30		BCEDMN
C=CCC[C@@H]1NC(=O)N(C[C@@H]2CCN2C)C1=O	ZINC000925196514	646207993	/nfs/dbraw/zinc/20/79/93/646207993.db2.gz	NLFDCLIAFJOIST-UWVGGRQHSA-N	0	1	237.303	0.577	20	30		BCEDMN
CN1CC[C@@H]1CNC(=O)N1CCC(C#N)CC1	ZINC000925407629	646261890	/nfs/dbraw/zinc/26/18/90/646261890.db2.gz	MHOCLWCDPVRTRW-LLVKDONJSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=CC[C@H](C)NC(=O)NC[C@@H]1CCN1C	ZINC000925406478	646262886	/nfs/dbraw/zinc/26/28/86/646262886.db2.gz	NOTWKNXETQWJRB-UWVGGRQHSA-N	0	1	211.309	0.954	20	30		BCEDMN
C=CC[C@@H](C)NC(=O)NC[C@H]1CCN1C	ZINC000925406477	646263698	/nfs/dbraw/zinc/26/36/98/646263698.db2.gz	NOTWKNXETQWJRB-NXEZZACHSA-N	0	1	211.309	0.954	20	30		BCEDMN
CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCN1C	ZINC000925422665	646270902	/nfs/dbraw/zinc/27/09/02/646270902.db2.gz	APLZTVPUSRDSFI-SNVBAGLBSA-N	0	1	238.335	0.882	20	30		BCEDMN
C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CCN1C	ZINC000925430860	646279758	/nfs/dbraw/zinc/27/97/58/646279758.db2.gz	CCLNBNCBKYXGEK-MNOVXSKESA-N	0	1	241.335	0.317	20	30		BCEDMN
CN1CC[C@H]1CNC(=O)N1CCC[C@@H](C#N)C1	ZINC000925432771	646279798	/nfs/dbraw/zinc/27/97/98/646279798.db2.gz	OXJCPUIZKQGOLD-QWRGUYRKSA-N	0	1	236.319	0.636	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1	ZINC001075471932	711644012	/nfs/dbraw/zinc/64/40/12/711644012.db2.gz	DGSZYVRCXYSZGO-DTWKUNHWSA-N	0	1	230.258	0.970	20	30		BCEDMN
CC(C)(C#N)CNC[C@H](O)C1(O)CCOCC1	ZINC000905202263	711812632	/nfs/dbraw/zinc/81/26/32/711812632.db2.gz	GSBNKBWQCMIQQH-JTQLQIEISA-N	0	1	242.319	0.028	20	30		BCEDMN
CN(C)CC#CCNC(=O)Cc1cscn1	ZINC000913524487	711823422	/nfs/dbraw/zinc/82/34/22/711823422.db2.gz	OIBCSADATPCWAM-UHFFFAOYSA-N	0	1	237.328	0.367	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)C(C)C)C1	ZINC001032927747	711967436	/nfs/dbraw/zinc/96/74/36/711967436.db2.gz	BQWZHGDGKSWDAQ-NSHDSACASA-N	0	1	208.305	0.808	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CC[C@H](N2CCC2)C1	ZINC000702295163	712043330	/nfs/dbraw/zinc/04/33/30/712043330.db2.gz	GEVFPVBDBWQILT-MNOVXSKESA-N	0	1	221.304	0.843	20	30		BCEDMN
C=CCN[C@@H]1COCCC1(OC)OC	ZINC000704684369	712113146	/nfs/dbraw/zinc/11/31/46/712113146.db2.gz	BDZQPAITRZBWGS-SECBINFHSA-N	0	1	201.266	0.540	20	30		BCEDMN
C#CC(C)(C)NC(=O)C1=NC(=O)N(C)C1	ZINC000708325746	712187551	/nfs/dbraw/zinc/18/75/51/712187551.db2.gz	NSWAZTUQPTXBCU-UHFFFAOYSA-N	0	1	207.233	0.267	20	30		BCEDMN
CC(C)N(CCC#N)C(=O)C1=NC(=O)N(C)C1	ZINC000708406132	712192446	/nfs/dbraw/zinc/19/24/46/712192446.db2.gz	YLAZGGPSFDNQPI-UHFFFAOYSA-N	0	1	236.275	0.890	20	30		BCEDMN
C=CCNC(=O)CN[C@@H]1CCC1(OC)OC	ZINC000710966437	712269666	/nfs/dbraw/zinc/26/96/66/712269666.db2.gz	KEOCILJQXYVJBC-SECBINFHSA-N	0	1	228.292	0.030	20	30		BCEDMN
C#CCCS(=O)(=O)NC[C@H](C)N(C)C1CC1	ZINC000711064904	712278293	/nfs/dbraw/zinc/27/82/93/712278293.db2.gz	HSQQDXBZZGEVTR-JTQLQIEISA-N	0	1	244.360	0.412	20	30		BCEDMN
N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccco1	ZINC000379425877	712384541	/nfs/dbraw/zinc/38/45/41/712384541.db2.gz	BYZRNRIXCUZFAK-SFYZADRCSA-N	0	1	205.217	0.121	20	30		BCEDMN
N#C[C@H]1CNC[C@@H]1NC(=O)c1ccco1	ZINC000379425878	712384597	/nfs/dbraw/zinc/38/45/97/712384597.db2.gz	BYZRNRIXCUZFAK-YUMQZZPRSA-N	0	1	205.217	0.121	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000786447005	712420148	/nfs/dbraw/zinc/42/01/48/712420148.db2.gz	HNRLXVKXCNNOQL-BBBLOLIVSA-N	0	1	238.287	0.504	20	30		BCEDMN
Cc1nc(C#N)cc(NC[C@H]2CCN2C)n1	ZINC000712579257	712432860	/nfs/dbraw/zinc/43/28/60/712432860.db2.gz	DDPKGRKILDHRNX-SNVBAGLBSA-N	0	1	217.276	0.773	20	30		BCEDMN
CCN1CC[C@H]1CNc1ncncc1C#N	ZINC000712571487	712447381	/nfs/dbraw/zinc/44/73/81/712447381.db2.gz	YAWOHJQECZGPAT-JTQLQIEISA-N	0	1	217.276	0.276	20	30		BCEDMN
C#CC[C@@H](COC)NCc1ccnn1C	ZINC000716928753	712596444	/nfs/dbraw/zinc/59/64/44/712596444.db2.gz	NHECTOHOXGGLDN-JTQLQIEISA-N	0	1	207.277	0.548	20	30		BCEDMN
CC#CC[C@@H](CO)NCc1cc(C)nn1C	ZINC000717732097	712668160	/nfs/dbraw/zinc/66/81/60/712668160.db2.gz	GNFGDPFNZOLKPM-NSHDSACASA-N	0	1	221.304	0.592	20	30		BCEDMN
C#C[C@H](NCCCS(C)(=O)=O)[C@H]1CCCO1	ZINC000381358505	710628606	/nfs/dbraw/zinc/62/86/06/710628606.db2.gz	DYCBMDJROGQFQI-WDEREUQCSA-N	0	1	245.344	0.192	20	30		BCEDMN
C#CCCN1CC[C@@H]1CNC(=O)c1cn(C)cn1	ZINC001038163483	710677243	/nfs/dbraw/zinc/67/72/43/710677243.db2.gz	JJXQOPBGJTZGPX-LLVKDONJSA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001038195013	710679052	/nfs/dbraw/zinc/67/90/52/710679052.db2.gz	RIHDHCBYYLAAKZ-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001038195013	710679056	/nfs/dbraw/zinc/67/90/56/710679056.db2.gz	RIHDHCBYYLAAKZ-JTQLQIEISA-N	0	1	247.298	0.777	20	30		BCEDMN
C[C@@H](O)CN(C)Cc1cncc(C#N)c1	ZINC000721537736	710680679	/nfs/dbraw/zinc/68/06/79/710680679.db2.gz	CCDBEWAUAFLJLV-SECBINFHSA-N	0	1	205.261	0.766	20	30		BCEDMN
C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCCN1C	ZINC001038416771	710685510	/nfs/dbraw/zinc/68/55/10/710685510.db2.gz	LLMFEHUMMGUXDL-QWHCGFSZSA-N	0	1	249.358	0.294	20	30		BCEDMN
COC[C@H](C)NN=C(C)c1ccc(N)nc1	ZINC000382108456	710785663	/nfs/dbraw/zinc/78/56/63/710785663.db2.gz	JJRDJDWQJZBVOI-QMMMGPOBSA-N	0	1	222.292	0.843	20	30		BCEDMN
C#CCN1CC(N(C)C(=O)[C@H]2CCCCN2C)C1	ZINC001043094640	710803104	/nfs/dbraw/zinc/80/31/04/710803104.db2.gz	ANMAIGJORVMWFJ-CYBMUJFWSA-N	0	1	249.358	0.247	20	30		BCEDMN
C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1ccn[nH]1	ZINC001044477590	710827417	/nfs/dbraw/zinc/82/74/17/710827417.db2.gz	DVNCYPYUOZMVSN-ZJUUUORDSA-N	0	1	247.302	0.516	20	30		BCEDMN
C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC001046190822	710854151	/nfs/dbraw/zinc/85/41/51/710854151.db2.gz	XIGXZEIFDIKNKO-GXTWGEPZSA-N	0	1	249.358	0.294	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2ncc[nH]2)C1	ZINC001046301657	710858690	/nfs/dbraw/zinc/85/86/90/710858690.db2.gz	SULSKIDQNNLSIC-LBPRGKRZSA-N	0	1	234.303	0.790	20	30		BCEDMN
C=CCN1CC[C@](C)(NC(=O)c2ccnnc2)C1	ZINC001046650566	710863426	/nfs/dbraw/zinc/86/34/26/710863426.db2.gz	MUJHXWCGEJEEQU-ZDUSSCGKSA-N	0	1	246.314	0.857	20	30		BCEDMN
C=C(C)CN(CC)CCS(N)(=O)=O	ZINC000388368134	711058809	/nfs/dbraw/zinc/05/88/09/711058809.db2.gz	WGKYGALTNZLBSH-UHFFFAOYSA-N	0	1	206.311	0.173	20	30		BCEDMN
CC1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCC1	ZINC000390755255	711132189	/nfs/dbraw/zinc/13/21/89/711132189.db2.gz	GXABJARWQQMHSB-IUCAKERBSA-N	0	1	207.277	0.404	20	30		BCEDMN
CSC[C@H](C)C(=O)N[C@H]1CNC[C@H]1C#N	ZINC000390778932	711133656	/nfs/dbraw/zinc/13/36/56/711133656.db2.gz	HRPAZPWCQJCLTN-YIZRAAEISA-N	0	1	227.333	0.213	20	30		BCEDMN
CSC[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000390778927	711133897	/nfs/dbraw/zinc/13/38/97/711133897.db2.gz	HRPAZPWCQJCLTN-CIUDSAMLSA-N	0	1	227.333	0.213	20	30		BCEDMN
C#CCN1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2	ZINC001071107822	711166770	/nfs/dbraw/zinc/16/67/70/711166770.db2.gz	ONXRJDUFZYRAMF-AAEUAGOBSA-N	0	1	236.315	0.331	20	30		BCEDMN
C=CCNC(=O)C[NH2+]Cc1ccoc1C(=O)[O-]	ZINC000393799375	711175056	/nfs/dbraw/zinc/17/50/56/711175056.db2.gz	PCMUPPLBQNWQQD-UHFFFAOYSA-N	0	1	238.243	0.370	20	30		BCEDMN
C=CCNC(=O)CNc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000393791892	711175118	/nfs/dbraw/zinc/17/51/18/711175118.db2.gz	ZKTHBEQNYCFOCM-UHFFFAOYSA-N	0	1	249.270	0.224	20	30		BCEDMN
C=CCNC(=O)CNCc1ccc(O)c(F)c1	ZINC000393831339	711176731	/nfs/dbraw/zinc/17/67/31/711176731.db2.gz	JOCAKVHSSZQRCQ-UHFFFAOYSA-N	0	1	238.262	0.923	20	30		BCEDMN
C#CCN1C[C@H](NC(=O)CC)CC[C@H]1C	ZINC001071278758	711183288	/nfs/dbraw/zinc/18/32/88/711183288.db2.gz	IWFUULATZWCZGH-GHMZBOCLSA-N	0	1	208.305	0.999	20	30		BCEDMN
CC#CCN1C[C@@H](NC(C)=O)CC[C@@H]1C	ZINC001071289786	711186273	/nfs/dbraw/zinc/18/62/73/711186273.db2.gz	XJJSFZFWYMTXKL-JQWIXIFHSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1	ZINC001010649437	710594016	/nfs/dbraw/zinc/59/40/16/710594016.db2.gz	HDYZAVVRBOKPHQ-LLVKDONJSA-N	0	1	244.298	0.876	20	30		BCEDMN
C#C[C@@H](NCCCS(C)(=O)=O)[C@@H]1CCCO1	ZINC000381358499	710628471	/nfs/dbraw/zinc/62/84/71/710628471.db2.gz	DYCBMDJROGQFQI-MNOVXSKESA-N	0	1	245.344	0.192	20	30		BCEDMN
C#CCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001038607989	710699397	/nfs/dbraw/zinc/69/93/97/710699397.db2.gz	NUFLHYUPODPJRH-WUHRBBMRSA-N	0	1	248.326	0.093	20	30		BCEDMN
CCc1cc(C(=O)N(C)C2CN(CC#N)C2)n[nH]1	ZINC001042493519	710787342	/nfs/dbraw/zinc/78/73/42/710787342.db2.gz	NCXXOOPTLCMEQS-UHFFFAOYSA-N	0	1	247.302	0.252	20	30		BCEDMN
C#C[C@@](C)(CC)NCCS(C)(=O)=O	ZINC000384183047	710806581	/nfs/dbraw/zinc/80/65/81/710806581.db2.gz	QYLJOWPWGKCMBT-VIFPVBQESA-N	0	1	203.307	0.423	20	30		BCEDMN
C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2)C1	ZINC001046335229	710860153	/nfs/dbraw/zinc/86/01/53/710860153.db2.gz	GMOVEKYNPMJJKN-ZDUSSCGKSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2)C1	ZINC001046335229	710860157	/nfs/dbraw/zinc/86/01/57/710860157.db2.gz	GMOVEKYNPMJJKN-ZDUSSCGKSA-N	0	1	231.299	0.842	20	30		BCEDMN
C#CCN1CCC2(CN(C(=O)c3cocn3)C2)C1	ZINC001072532435	711380684	/nfs/dbraw/zinc/38/06/84/711380684.db2.gz	KATJZFRJBFYHGI-UHFFFAOYSA-N	0	1	245.282	0.456	20	30		BCEDMN
C=CCN1CCCO[C@@H](CNC(C)=O)C1	ZINC001073499203	711440552	/nfs/dbraw/zinc/44/05/52/711440552.db2.gz	GAHCOHFTMSTYHY-NSHDSACASA-N	0	1	212.293	0.399	20	30		BCEDMN
C#CCCN1CC[C@H](NC(=O)c2ocnc2C)C1	ZINC001010464978	711454517	/nfs/dbraw/zinc/45/45/17/711454517.db2.gz	UCILENUUIIOMMI-NSHDSACASA-N	0	1	247.298	0.810	20	30		BCEDMN
C[C@@H](C(=O)NCC#C[C@@H]1CCCCO1)N(C)C	ZINC000891113204	711483133	/nfs/dbraw/zinc/48/31/33/711483133.db2.gz	VWQTUWJHFVTGFZ-RYUDHWBXSA-N	0	1	238.331	0.625	20	30		BCEDMN
CCC1(CC)CNC(=O)[C@H]1NCC#CCOC	ZINC000933287959	711510676	/nfs/dbraw/zinc/51/06/76/711510676.db2.gz	GUTZNBLSJPKYMS-LLVKDONJSA-N	0	1	238.331	0.531	20	30		BCEDMN
C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCO1	ZINC001038041394	711565940	/nfs/dbraw/zinc/56/59/40/711565940.db2.gz	RZLFHFUPAYFZOW-VXGBXAGGSA-N	0	1	238.331	0.932	20	30		BCEDMN
C=CC[C@@H]1CCN1Cc1cc(=O)n(C)c(=O)n1C	ZINC000934469323	711587655	/nfs/dbraw/zinc/58/76/55/711587655.db2.gz	SIXMWQIZFYPMLY-SNVBAGLBSA-N	0	1	249.314	0.234	20	30		BCEDMN
C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1	ZINC001075523962	711685574	/nfs/dbraw/zinc/68/55/74/711685574.db2.gz	HYHVBXDJSFUPDZ-YNEHKIRRSA-N	0	1	248.326	0.331	20	30		BCEDMN
CN(CC1=CCCOC1)C[C@H](O)CC#N	ZINC000930997729	711706332	/nfs/dbraw/zinc/70/63/32/711706332.db2.gz	KQIYNUPDNYOFII-LLVKDONJSA-N	0	1	210.277	0.539	20	30		BCEDMN
C#CCNC(=O)CN1CCCC[C@@H]1COCC	ZINC000313210435	711715377	/nfs/dbraw/zinc/71/53/77/711715377.db2.gz	PHPJZJDFBFFDKE-GFCCVEGCSA-N	0	1	238.331	0.627	20	30		BCEDMN
COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C	ZINC000125100902	711716646	/nfs/dbraw/zinc/71/66/46/711716646.db2.gz	HNRLXVKXCNNOQL-IVZWLZJFSA-N	0	1	238.287	0.504	20	30		BCEDMN
CC(C)[C@H]1CN(C)CCN1C(=O)NCCC#N	ZINC000335290798	711723073	/nfs/dbraw/zinc/72/30/73/711723073.db2.gz	LIQGCQCQRWREST-LLVKDONJSA-N	0	1	238.335	0.882	20	30		BCEDMN
C#CCN1CCC[C@H]1CNC(=O)c1cn(C)cn1	ZINC001027824821	711736495	/nfs/dbraw/zinc/73/64/95/711736495.db2.gz	PHDOJYQBTNCKOP-NSHDSACASA-N	0	1	246.314	0.248	20	30		BCEDMN
C=CCN1CCCN(C(=O)Cc2cnoc2)CC1	ZINC000981807796	711756090	/nfs/dbraw/zinc/75/60/90/711756090.db2.gz	AXVHLVLQEZXXMP-UHFFFAOYSA-N	0	1	249.314	0.937	20	30		BCEDMN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000048542933	711769990	/nfs/dbraw/zinc/76/99/90/711769990.db2.gz	VKNPHMUWXSGFAI-IWSPIJDZSA-N	0	1	208.261	0.876	20	30		BCEDMN
C=CCOCCCC(=O)NC[C@H]1CCN1C	ZINC000928564059	711778457	/nfs/dbraw/zinc/77/84/57/711778457.db2.gz	QYCSWKYVUVPRIY-LLVKDONJSA-N	0	1	226.320	0.790	20	30		BCEDMN
C=CCN1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1	ZINC001075981485	711800298	/nfs/dbraw/zinc/80/02/98/711800298.db2.gz	JTJISQGZEROBTE-GXSJLCMTSA-N	0	1	247.302	0.137	20	30		BCEDMN
C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CSC1	ZINC000912362174	711820185	/nfs/dbraw/zinc/82/01/85/711820185.db2.gz	QBDLEVADKHYSMC-RKDXNWHRSA-N	0	1	240.284	0.229	20	30		BCEDMN
C#CCN(C(=O)[C@H](C)N(C)C)C1CSC1	ZINC000912362744	711820381	/nfs/dbraw/zinc/82/03/81/711820381.db2.gz	VPLRGVDOWBZYKR-VIFPVBQESA-N	0	1	226.345	0.514	20	30		BCEDMN
C=C1CN(C(=O)C(C)(C)CN2CCOCC2)C1	ZINC000912446311	711820546	/nfs/dbraw/zinc/82/05/46/711820546.db2.gz	PYVRIQKGIFVREF-UHFFFAOYSA-N	0	1	238.331	0.743	20	30		BCEDMN
CCO[C@@H](C(=O)NCC#CCN(C)C)C1CC1	ZINC000913524427	711823266	/nfs/dbraw/zinc/82/32/66/711823266.db2.gz	MMBDZULUUYMUCB-GFCCVEGCSA-N	0	1	238.331	0.483	20	30		BCEDMN
COc1ccccc1C(=O)NCC#CCN(C)C	ZINC000913514270	711823608	/nfs/dbraw/zinc/82/36/08/711823608.db2.gz	KKBAQHUZDKHZCG-UHFFFAOYSA-N	0	1	246.310	0.990	20	30		BCEDMN
CN(C)CC#CCNC(=O)/C=C/c1cnn(C)c1	ZINC000913515647	711823730	/nfs/dbraw/zinc/82/37/30/711823730.db2.gz	GXSWGZRLLYDSBO-VOTSOKGWSA-N	0	1	246.314	0.115	20	30		BCEDMN
CN(C)CC#CCNC(=O)[C@H]1C[C@]12CCOC2	ZINC000913521045	711824035	/nfs/dbraw/zinc/82/40/35/711824035.db2.gz	JEBVDNMDLWLEEN-YPMHNXCESA-N	0	1	236.315	0.094	20	30		BCEDMN
COC1(C(=O)NCC#CCN(C)C)CCC1	ZINC000913521138	711824057	/nfs/dbraw/zinc/82/40/57/711824057.db2.gz	MGBPTQXEKXKODV-UHFFFAOYSA-N	0	1	224.304	0.237	20	30		BCEDMN
C=CCN1CC(NC(=O)Cc2cc(C)n[nH]2)C1	ZINC001030208580	711828048	/nfs/dbraw/zinc/82/80/48/711828048.db2.gz	LTMRXCVDXCQZEW-UHFFFAOYSA-N	0	1	234.303	0.247	20	30		BCEDMN
CC#CCN1CCC[C@@H](NC(C)=O)[C@@H]1C	ZINC000992930494	711861750	/nfs/dbraw/zinc/86/17/50/711861750.db2.gz	ZLWNNPWMMQBYGG-CMPLNLGQSA-N	0	1	208.305	0.999	20	30		BCEDMN
C=CCCN1CC[C@H]1CNC(=O)c1[nH]nnc1C	ZINC001038583133	711877775	/nfs/dbraw/zinc/87/77/75/711877775.db2.gz	SFGPHHIWAHMCIX-JTQLQIEISA-N	0	1	249.318	0.493	20	30		BCEDMN
N#CCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000359046749	711936421	/nfs/dbraw/zinc/93/64/21/711936421.db2.gz	VGYBYWOWLMSSNR-MRVPVSSYSA-N	0	1	233.275	0.480	20	30		BCEDMN
CC#CCN1CC[C@@H](N(C)C(=O)CC)C1	ZINC001032846013	711962263	/nfs/dbraw/zinc/96/22/63/711962263.db2.gz	JRUBKKFCIJWYCU-LLVKDONJSA-N	0	1	208.305	0.952	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)Cn2cccn2)C1	ZINC001032907682	711967253	/nfs/dbraw/zinc/96/72/53/711967253.db2.gz	XNMVGNYGSZEAIP-GFCCVEGCSA-N	0	1	248.330	0.602	20	30		BCEDMN
Cc1cc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)n[nH]1	ZINC001032937572	711969297	/nfs/dbraw/zinc/96/92/97/711969297.db2.gz	WLJHICZUKWPPPE-SNVBAGLBSA-N	0	1	247.302	0.388	20	30		BCEDMN
C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1	ZINC001033006926	711971020	/nfs/dbraw/zinc/97/10/20/711971020.db2.gz	ACGSUMAMOVZKSL-LLVKDONJSA-N	0	1	248.330	0.752	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1	ZINC001033006929	711971133	/nfs/dbraw/zinc/97/11/33/711971133.db2.gz	ACGSUMAMOVZKSL-NSHDSACASA-N	0	1	248.330	0.752	20	30		BCEDMN
C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1	ZINC001033326116	711983618	/nfs/dbraw/zinc/98/36/18/711983618.db2.gz	JLVJCYHLMFFYOI-GRYCIOLGSA-N	0	1	220.316	0.808	20	30		BCEDMN
C#CCONC(=O)c1ccc2[nH]nnc2c1	ZINC000700581199	711998359	/nfs/dbraw/zinc/99/83/59/711998359.db2.gz	ZUADVOPGASVFMI-UHFFFAOYSA-N	0	1	216.200	0.253	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cccnn2)C1	ZINC001033526335	712000052	/nfs/dbraw/zinc/00/00/52/712000052.db2.gz	LACBBRUFACADKS-NSHDSACASA-N	0	1	246.314	0.809	20	30		BCEDMN
C=CCN1CC[C@H](N(C)C(=O)c2cnon2)C1	ZINC001033527291	712000619	/nfs/dbraw/zinc/00/06/19/712000619.db2.gz	OJUYSPJSQREORE-VIFPVBQESA-N	0	1	236.275	0.402	20	30		BCEDMN
C#CCONC(=O)c1cnc2ccccc2c1O	ZINC000700614798	712002423	/nfs/dbraw/zinc/00/24/23/712002423.db2.gz	JIPVVADNJQVKJG-UHFFFAOYSA-N	0	1	242.234	0.823	20	30		BCEDMN
C#CCN1CC[C@@H](N(CC)C(=O)c2ccn[nH]2)C1	ZINC001033762953	712017945	/nfs/dbraw/zinc/01/79/45/712017945.db2.gz	CKJLEQQMYBOJLY-LLVKDONJSA-N	0	1	246.314	0.579	20	30		BCEDMN
C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn[n-]2)C1	ZINC001034284017	712056999	/nfs/dbraw/zinc/05/69/99/712056999.db2.gz	WOKAQGKKRCPANK-JTQLQIEISA-N	0	1	247.302	0.022	20	30		BCEDMN
C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1	ZINC000704665696	712114274	/nfs/dbraw/zinc/11/42/74/712114274.db2.gz	ODVVHIILXXIEAR-LLVKDONJSA-N	0	1	243.310	0.921	20	30		BCEDMN
C#CCNCC(=O)NCCCCCC(=O)OC	ZINC000707280589	712168717	/nfs/dbraw/zinc/16/87/17/712168717.db2.gz	RQIXFXZHBFHDLL-UHFFFAOYSA-N	0	1	240.303	0.059	20	30		BCEDMN
C=C(Cl)CN1C[C@H](CO)[C@H](CO)C1	ZINC000707858318	712180422	/nfs/dbraw/zinc/18/04/22/712180422.db2.gz	HVHGMDNEXUIWNF-DTORHVGOSA-N	0	1	205.685	0.272	20	30		BCEDMN
CC(C)[C@H](C#N)NC(=O)C1=NC(=O)N(C)C1	ZINC000708395810	712192483	/nfs/dbraw/zinc/19/24/83/712192483.db2.gz	DVGMTKSYAOQCTR-ZETCQYMHSA-N	0	1	222.248	0.404	20	30		BCEDMN
CN1CC(C(=O)N2CCC(CC#N)CC2)=NC1=O	ZINC000708405891	712192680	/nfs/dbraw/zinc/19/26/80/712192680.db2.gz	LYIVOSFYSTXALQ-UHFFFAOYSA-N	0	1	248.286	0.892	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1	ZINC001079401675	712347918	/nfs/dbraw/zinc/34/79/18/712347918.db2.gz	FDNZUCUUGVTEIK-ZYHUDNBSSA-N	0	1	248.330	0.656	20	30		BCEDMN
C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1	ZINC001079481371	712349230	/nfs/dbraw/zinc/34/92/30/712349230.db2.gz	FVLXWBXKYIILRQ-GHMZBOCLSA-N	0	1	248.330	0.656	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC001080518055	712353127	/nfs/dbraw/zinc/35/31/27/712353127.db2.gz	AWEOHBKJZKUGGY-ZYHUDNBSSA-N	0	1	246.314	0.022	20	30		BCEDMN
C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1	ZINC001080650961	712353899	/nfs/dbraw/zinc/35/38/99/712353899.db2.gz	XCQVTOUHSMMWST-DGCLKSJQSA-N	0	1	246.310	0.892	20	30		BCEDMN
N#C[C@H]1CNC[C@H]1NC(=O)c1ccco1	ZINC000379425876	712384619	/nfs/dbraw/zinc/38/46/19/712384619.db2.gz	BYZRNRIXCUZFAK-JGVFFNPUSA-N	0	1	205.217	0.121	20	30		BCEDMN
CN(CCOCCO)Cc1cncc(C#N)c1	ZINC000721542580	712390432	/nfs/dbraw/zinc/39/04/32/712390432.db2.gz	CKFCJVMVTDBBNT-UHFFFAOYSA-N	0	1	235.287	0.394	20	30		BCEDMN
CCN1CC[C@@H]1CNc1cc(C#N)cnn1	ZINC000712593266	712435242	/nfs/dbraw/zinc/43/52/42/712435242.db2.gz	XWIWPECVVMUYPW-SNVBAGLBSA-N	0	1	217.276	0.854	20	30		BCEDMN
CCN1CC[C@@H]1CNc1cc(C#N)ncn1	ZINC000712570365	712447417	/nfs/dbraw/zinc/44/74/17/712447417.db2.gz	QLSQFTBCONYLHH-SNVBAGLBSA-N	0	1	217.276	0.854	20	30		BCEDMN
CCN1CC[C@H]1CNc1cc(C#N)ncn1	ZINC000712570363	712447437	/nfs/dbraw/zinc/44/74/37/712447437.db2.gz	QLSQFTBCONYLHH-JTQLQIEISA-N	0	1	217.276	0.854	20	30		BCEDMN
N#CCCNC(=O)c1[nH]nc2c1CCCC2	ZINC000713728657	712470350	/nfs/dbraw/zinc/47/03/50/712470350.db2.gz	UFJSUDZFCAQGIJ-UHFFFAOYSA-N	0	1	218.260	0.932	20	30		BCEDMN
C#CCSCCNCc1cn(CC)nn1	ZINC000714886451	712499000	/nfs/dbraw/zinc/49/90/00/712499000.db2.gz	JABRQMPFFCCZFN-UHFFFAOYSA-N	0	1	224.333	0.754	20	30		BCEDMN
C=CCC[N@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715730328	712531494	/nfs/dbraw/zinc/53/14/94/712531494.db2.gz	CVPKRLIRHCPOIU-UHFFFAOYSA-N	0	1	215.249	0.512	20	30		BCEDMN
C#CCC[C@H](O)CNC(=O)c1[nH]nc(C)c1C	ZINC000716624914	712568116	/nfs/dbraw/zinc/56/81/16/712568116.db2.gz	XWVZLTXYCQXGGB-JTQLQIEISA-N	0	1	235.287	0.531	20	30		BCEDMN
OCC#CCNC[C@H](O)c1c(F)cccc1F	ZINC000717438451	712657639	/nfs/dbraw/zinc/65/76/39/712657639.db2.gz	QDLMKZTURZBNGV-NSHDSACASA-N	0	1	241.237	0.584	20	30		BCEDMN
OCC#CCNC[C@@H](O)c1ccc(F)cc1F	ZINC000717437562	712657748	/nfs/dbraw/zinc/65/77/48/712657748.db2.gz	IJUNRTSVSHVNGS-GFCCVEGCSA-N	0	1	241.237	0.584	20	30		BCEDMN
C#CC[C@H](CO)NCc1ccc(CO)o1	ZINC000717788537	712677637	/nfs/dbraw/zinc/67/76/37/712677637.db2.gz	UNMAOTSZYTUFJS-SECBINFHSA-N	0	1	209.245	0.246	20	30		BCEDMN
CC#CC[C@@H](CO)N[C@H](C)c1cnccn1	ZINC000717813191	712680674	/nfs/dbraw/zinc/68/06/74/712680674.db2.gz	HNZMVOPGQGVLDQ-MNOVXSKESA-N	0	1	219.288	0.902	20	30		BCEDMN
CN(C)CC#CCNC(=O)OCC(F)(F)F	ZINC000717959842	712735260	/nfs/dbraw/zinc/73/52/60/712735260.db2.gz	XXMUBHNDRJADNB-UHFFFAOYSA-N	0	1	238.209	0.840	20	30		BCEDMN
C#C[C@@H](CO)NC[C@@H](O)c1ccc(F)c(F)c1	ZINC000718137603	712747530	/nfs/dbraw/zinc/74/75/30/712747530.db2.gz	RQRMUFGBNYELTJ-JOYOIKCWSA-N	0	1	241.237	0.582	20	30		BCEDMN
C[C@H]1[C@H](NC(=O)c2ccc(C#N)o2)CCN1C	ZINC000719365287	712805889	/nfs/dbraw/zinc/80/58/89/712805889.db2.gz	YQFYNXNWGXPCKQ-WCBMZHEXSA-N	0	1	233.271	0.974	20	30		BCEDMN
CC[C@H](C#N)C(=O)N1CCC(c2nn[nH]n2)CC1	ZINC000720443695	712844089	/nfs/dbraw/zinc/84/40/89/712844089.db2.gz	LWEWCTLUVFUSEM-MRVPVSSYSA-N	0	1	248.290	0.455	20	30		BCEDMN