smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(N)n(CCCN2CCOCC2)c2nc(C#N)c(C#N)nc12	ZINC000019902560	202025491	/nfs/dbraw/zinc/02/54/91/202025491.db2.gz	FXBHEEFLNPOMJQ-UHFFFAOYSA-N	0	1	336.359	0.351	50	30		ECEAMN
Cn1c(NCCN2CCc3ccccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000045026616	202541902	/nfs/dbraw/zinc/54/19/02/202541902.db2.gz	OEPKHDNGSMVVPJ-UHFFFAOYSA-N	0	1	339.399	0.426	50	30		ECEAMN
C=CC[C@@H](NC(C)=O)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1	ZINC000069741592	203313796	/nfs/dbraw/zinc/31/37/96/203313796.db2.gz	JKLUWBAEIUQPRR-HUUCEWRRSA-N	0	1	325.453	0.618	50	30		ECEAMN
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CCOCC2)C1=O	ZINC000101234292	206283989	/nfs/dbraw/zinc/28/39/89/206283989.db2.gz	FYVLTRNZFDOQQQ-SEYXRHQNSA-N	0	1	336.392	0.677	50	30		ECEAMN
CCc1nc(CN(C)[C@H]2CCN(CCn3cc(C#N)cn3)C2)no1	ZINC000078891427	436282697	/nfs/dbraw/zinc/28/26/97/436282697.db2.gz	SPJLXSHEBAPNRY-AWEZNQCLSA-N	0	1	329.408	0.906	50	30		ECEAMN
CCCc1nc([C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)CCO2)n[nH]1	ZINC000107056918	436607095	/nfs/dbraw/zinc/60/70/95/436607095.db2.gz	HPXPNCWCQRNRBH-SUMWQHHRSA-N	0	1	346.435	0.939	50	30		ECEAMN
CCCc1n[nH]c([C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)CCO2)n1	ZINC000107056918	436607096	/nfs/dbraw/zinc/60/70/96/436607096.db2.gz	HPXPNCWCQRNRBH-SUMWQHHRSA-N	0	1	346.435	0.939	50	30		ECEAMN
C[C@]1(O)NC(=O)[C@H](C#N)[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1	ZINC000230211479	436716600	/nfs/dbraw/zinc/71/66/00/436716600.db2.gz	UWDREXZEKUBQON-OXJKWZBOSA-N	0	1	342.315	0.489	50	30		ECEAMN
C[C@]1(O)NC(=O)[C@H](C#N)[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1	ZINC000252630158	436838201	/nfs/dbraw/zinc/83/82/01/436838201.db2.gz	UWDREXZEKUBQON-MCYUEQNJSA-N	0	1	342.315	0.489	50	30		ECEAMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3csc(NC)n3)C[C@H]2C1=O	ZINC000077472230	436238936	/nfs/dbraw/zinc/23/89/36/436238936.db2.gz	WLJUXPGJKNSCPL-NHYWBVRUSA-N	0	1	336.417	0.716	50	30		ECEAMN
C#CCNC(=O)CCNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1	ZINC000064664534	436649716	/nfs/dbraw/zinc/64/97/16/436649716.db2.gz	UDNUUYMGBISQDT-UHFFFAOYSA-N	0	1	330.369	0.867	50	30		ECEAMN
CC(C)n1c(NN=Cc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004137505	435978242	/nfs/dbraw/zinc/97/82/42/435978242.db2.gz	WQDJRKHPVQXTMC-CAOOACKPSA-N	0	1	327.348	0.845	50	30		ECEAMN
CCCn1c(NN=Cc2ccncc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004816236	435984786	/nfs/dbraw/zinc/98/47/86/435984786.db2.gz	SCPQNBVADNBQPW-VCHYOVAHSA-N	0	1	341.375	0.685	50	30		ECEAMN
COCC[C@@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1	ZINC000091950837	436463988	/nfs/dbraw/zinc/46/39/88/436463988.db2.gz	SVRHIZDUNRRUAT-KRWDZBQOSA-N	0	1	333.388	0.806	50	30		ECEAMN
CCc1nc2n(n1)C[C@H](NC(=O)N1CCN3CCOC[C@@H]3C1)CC2	ZINC000329802142	437415131	/nfs/dbraw/zinc/41/51/31/437415131.db2.gz	ZCEIQROLIZEHCP-OLZOCXBDSA-N	0	1	334.424	0.086	50	30		ECEAMN
CC(C)[C@@H](C#N)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000069652741	435954085	/nfs/dbraw/zinc/95/40/85/435954085.db2.gz	ICFJBVNJAXPAPC-CQSZACIVSA-N	0	1	326.356	0.922	50	30		ECEAMN
N#Cc1ccc(OCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000072269224	436038745	/nfs/dbraw/zinc/03/87/45/436038745.db2.gz	SBKIFVYZGWNQMN-IAGOWNOFSA-N	0	1	329.400	0.995	50	30		ECEAMN
C#CCOc1ccc(CCNC(=O)NC[C@H]2CN(C)CCN2C)cc1	ZINC000106850892	436604402	/nfs/dbraw/zinc/60/44/02/436604402.db2.gz	SCOPCXGWHASETQ-KRWDZBQOSA-N	0	1	344.459	0.786	50	30		ECEAMN
N#Cc1ccc(CCC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1	ZINC000253472456	436847761	/nfs/dbraw/zinc/84/77/61/436847761.db2.gz	MNNMDNDXJDEFDJ-UHFFFAOYSA-N	0	1	340.427	0.899	50	30		ECEAMN
C=CCn1cc(CN2CC[C@@]3(O)CCN(C(=O)COC)C[C@H]3C2)cn1	ZINC000095390592	218322532	/nfs/dbraw/zinc/32/25/32/218322532.db2.gz	ZAZZKQNHBTWADZ-SJLPKXTDSA-N	0	1	348.447	0.501	50	30		ECEAMN
CN1CCN(C(=O)C2(C#N)CCOCC2)C[C@]12CCNC(=O)CC2	ZINC000092098173	436466801	/nfs/dbraw/zinc/46/68/01/436466801.db2.gz	VEYXFJVCIXARTP-KRWDZBQOSA-N	0	1	334.420	0.120	50	30		ECEAMN
CN1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000195574124	436693552	/nfs/dbraw/zinc/69/35/52/436693552.db2.gz	BXIFJHNMMIOJGN-UHFFFAOYSA-N	0	1	326.397	0.223	50	30		ECEAMN
C[C@H]1CN(C(=O)CN2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476420	436663216	/nfs/dbraw/zinc/66/32/16/436663216.db2.gz	HRPMWRAJNRUGRL-GOEBONIOSA-N	0	1	343.431	0.934	50	30		ECEAMN
Cc1[nH]ncc1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1	ZINC000329386633	437362332	/nfs/dbraw/zinc/36/23/32/437362332.db2.gz	SMPJAAZJVYXHFT-ZDUSSCGKSA-N	0	1	345.407	0.484	50	30		ECEAMN
Cc1nc([C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000076048257	202385489	/nfs/dbraw/zinc/38/54/89/202385489.db2.gz	MLOXOPAPYLBDPF-GOEBONIOSA-N	0	1	343.387	0.798	50	30		ECEAMN
CCCn1c(NN=Cc2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000005164853	435982376	/nfs/dbraw/zinc/98/23/76/435982376.db2.gz	NCRXVRSSKAFYKA-RQZCQDPDSA-N	0	1	342.359	0.985	50	30		ECEAMN
O=C1NC(=S)NC(=O)C1=NNc1ccc(Br)cc1	ZINC000005687361	435992109	/nfs/dbraw/zinc/99/21/09/435992109.db2.gz	WAYGFTJTXQIWIM-UHFFFAOYSA-N	0	1	327.163	0.748	50	30		ECEAMN
C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097505	436256628	/nfs/dbraw/zinc/25/66/28/436256628.db2.gz	SGDFAFOASAEXHQ-QGZVFWFLSA-N	0	1	336.432	0.733	50	30		ECEAMN
CN(C[C@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104600	436538415	/nfs/dbraw/zinc/53/84/15/436538415.db2.gz	YJFOEGBARKORBD-HNNXBMFYSA-N	0	1	333.392	0.511	50	30		ECEAMN
N#Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000072269225	436040635	/nfs/dbraw/zinc/04/06/35/436040635.db2.gz	SBKIFVYZGWNQMN-DLBZAZTESA-N	0	1	329.400	0.995	50	30		ECEAMN
N#Cc1ccc(OCCN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451530	203001675	/nfs/dbraw/zinc/00/16/75/203001675.db2.gz	MQJSXTKEQVHFDS-AWEZNQCLSA-N	0	1	338.433	0.442	50	30		ECEAMN
CC(C)(C)[C@@H](O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069626831	203029078	/nfs/dbraw/zinc/02/90/78/203029078.db2.gz	QZPNBLNFIZBRLP-YJBOKZPZSA-N	0	1	336.480	0.819	50	30		ECEAMN
C[N@H+]1CCN(CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H](c2ccccc2)C1	ZINC000106114289	290044774	/nfs/dbraw/zinc/04/47/74/290044774.db2.gz	WBTUVMQKPLFUJG-MRXNPFEDSA-N	0	1	339.399	0.397	50	30		ECEAMN
CN(CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cn1	ZINC000072269173	436038340	/nfs/dbraw/zinc/03/83/40/436038340.db2.gz	WTKKDEQBYBQPHP-HOTGVXAUSA-N	0	1	343.431	0.447	50	30		ECEAMN
CCN(C1CCN(C(=O)NCCn2ccnc2)CC1)S(C)(=O)=O	ZINC000330672787	437585256	/nfs/dbraw/zinc/58/52/56/437585256.db2.gz	OFQKSAXXPVHZKC-UHFFFAOYSA-N	0	1	343.453	0.543	50	30		ECEAMN
C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000330195046	289036199	/nfs/dbraw/zinc/03/61/99/289036199.db2.gz	BJXGKUKOVXBWCT-HZSPNIEDSA-N	0	1	347.481	0.255	50	30		ECEAMN
C=CC[C@H](NC(C)=O)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1	ZINC000069741584	435962407	/nfs/dbraw/zinc/96/24/07/435962407.db2.gz	JKLUWBAEIUQPRR-GJZGRUSLSA-N	0	1	325.453	0.618	50	30		ECEAMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](CCn3cc(Cl)cn3)C[C@H]2C1=O	ZINC000077471353	436239376	/nfs/dbraw/zinc/23/93/76/436239376.db2.gz	XNKLMOIUXLGPPC-WFASDCNBSA-N	0	1	338.795	0.568	50	30		ECEAMN
N#Cc1cccnc1NC[C@@H]1CCN(CC(=O)N2CCOCC2)C1	ZINC000065496882	436664724	/nfs/dbraw/zinc/66/47/24/436664724.db2.gz	CPWJHEYAWMCSGG-AWEZNQCLSA-N	0	1	329.404	0.546	50	30		ECEAMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@](C)(CO)C2)CC1	ZINC000253370055	436839670	/nfs/dbraw/zinc/83/96/70/436839670.db2.gz	LMMCGHNVDCBIOO-AEFFLSMTSA-N	0	1	336.480	0.773	50	30		ECEAMN
C#CCOc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)ccc1OC	ZINC000426575117	438067138	/nfs/dbraw/zinc/06/71/38/438067138.db2.gz	ZODRODUWWBABKG-OLZOCXBDSA-N	0	1	332.356	0.594	50	30		ECEAMN
C[C@H](C(=O)/N=C1/NC(=O)C(C)S1)N1C(=O)c2ccccc2C1=O	ZINC000009071869	211038026	/nfs/dbraw/zinc/03/80/26/211038026.db2.gz	YWPDAFFLOGPAGJ-SFYZADRCSA-N	0	1	331.353	0.805	50	30		ECEAMN
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1N1CCN(C)CC1	ZINC000408028071	300277330	/nfs/dbraw/zinc/27/73/30/300277330.db2.gz	OBPYFYMXJNRPEW-LSDHHAIUSA-N	0	1	328.482	0.578	50	30		ECEAMN
C#CCOc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCN2C)cc1	ZINC000071897744	436028273	/nfs/dbraw/zinc/02/82/73/436028273.db2.gz	SCOPCXGWHASETQ-QGZVFWFLSA-N	0	1	344.459	0.786	50	30		ECEAMN
CN(C)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccsc1	ZINC000026720538	436166620	/nfs/dbraw/zinc/16/66/20/436166620.db2.gz	WHWMZIVAAXVRNY-GFCCVEGCSA-N	0	1	333.417	0.732	50	30		ECEAMN
CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055199	436189982	/nfs/dbraw/zinc/18/99/82/436189982.db2.gz	MEWXNCJWENCFFB-NVXWUHKLSA-N	0	1	349.479	0.233	50	30		ECEAMN
Cn1nc2c(cc1=O)CN(C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064390	436192307	/nfs/dbraw/zinc/19/23/07/436192307.db2.gz	NSFLQGSWGSNPMC-OAHLLOKOSA-N	0	1	340.383	0.450	50	30		ECEAMN
COCCCN(CC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1	ZINC000033032646	436249665	/nfs/dbraw/zinc/24/96/65/436249665.db2.gz	BIENUMWFQPEBEY-UHFFFAOYSA-N	0	1	344.415	0.469	50	30		ECEAMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC3CC3)CC2)CC1	ZINC000091540776	436453276	/nfs/dbraw/zinc/45/32/76/436453276.db2.gz	KHTZAXBQQNDZLN-GOSISDBHSA-N	0	1	347.507	0.706	50	30		ECEAMN
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1	ZINC000095987273	436502909	/nfs/dbraw/zinc/50/29/09/436502909.db2.gz	CLAQFBBINYNFFA-LSDHHAIUSA-N	0	1	348.472	0.771	50	30		ECEAMN
CCCc1nc([C@@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)n[nH]1	ZINC000107141198	436608932	/nfs/dbraw/zinc/60/89/32/436608932.db2.gz	PWMBLTHBUFBVLH-OLZOCXBDSA-N	0	1	334.424	0.891	50	30		ECEAMN
CCCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)n1	ZINC000107141198	436608935	/nfs/dbraw/zinc/60/89/35/436608935.db2.gz	PWMBLTHBUFBVLH-OLZOCXBDSA-N	0	1	334.424	0.891	50	30		ECEAMN
C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200785	436702093	/nfs/dbraw/zinc/70/20/93/436702093.db2.gz	HRPMWRAJNRUGRL-HOCLYGCPSA-N	0	1	343.431	0.934	50	30		ECEAMN
C[C@H]1CN(C(=O)CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200785	436702096	/nfs/dbraw/zinc/70/20/96/436702096.db2.gz	HRPMWRAJNRUGRL-HOCLYGCPSA-N	0	1	343.431	0.934	50	30		ECEAMN
N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1	ZINC000229579595	436715794	/nfs/dbraw/zinc/71/57/94/436715794.db2.gz	UPZRRJULQGTIGN-MSOLQXFVSA-N	0	1	342.443	0.852	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[C@H]2O)CC1	ZINC000252486013	436834586	/nfs/dbraw/zinc/83/45/86/436834586.db2.gz	CLPGGWUBFSEBRY-IXDOHACOSA-N	0	1	336.480	0.772	50	30		ECEAMN
CN1CCN(CCNS(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000170603644	436946340	/nfs/dbraw/zinc/94/63/40/436946340.db2.gz	SDGFJDFNHJIAHA-UHFFFAOYSA-N	0	1	326.397	0.223	50	30		ECEAMN
C=CCn1c(CN)nnc1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000426444519	438059184	/nfs/dbraw/zinc/05/91/84/438059184.db2.gz	JJMGVNMUPPLMTC-PHIMTYICSA-N	0	1	325.438	0.651	50	30		ECEAMN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCOC)C2)c1	ZINC000078602884	217084298	/nfs/dbraw/zinc/08/42/98/217084298.db2.gz	IQAUNUIBHGEIPB-MRXNPFEDSA-N	0	1	329.400	0.833	50	30		ECEAMN
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1N1CCN(C)CC1	ZINC000408028069	297040412	/nfs/dbraw/zinc/04/04/12/297040412.db2.gz	OBPYFYMXJNRPEW-HUUCEWRRSA-N	0	1	328.482	0.578	50	30		ECEAMN
N#Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000072269223	436040185	/nfs/dbraw/zinc/04/01/85/436040185.db2.gz	SBKIFVYZGWNQMN-IRXDYDNUSA-N	0	1	329.400	0.995	50	30		ECEAMN
N#Cc1ccnc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1	ZINC000044949629	436357353	/nfs/dbraw/zinc/35/73/53/436357353.db2.gz	KOUGYEJOTYPSAB-SJORKVTESA-N	0	1	346.431	0.632	50	30		ECEAMN
Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1	ZINC000329386632	437361046	/nfs/dbraw/zinc/36/10/46/437361046.db2.gz	SMPJAAZJVYXHFT-CYBMUJFWSA-N	0	1	345.407	0.484	50	30		ECEAMN
N#Cc1cccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@@H](O)C2)c1	ZINC000097696325	219048477	/nfs/dbraw/zinc/04/84/77/219048477.db2.gz	VNRCZVMNCCVIIU-MRXNPFEDSA-N	0	1	325.372	0.600	50	30		ECEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1	ZINC000253535495	244010765	/nfs/dbraw/zinc/01/07/65/244010765.db2.gz	XAHHJMFCZUJBNZ-ZBINZKHDSA-N	0	1	341.371	0.943	50	30		ECEAMN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1	ZINC000241231300	267308191	/nfs/dbraw/zinc/30/81/91/267308191.db2.gz	KTTQXMRATJOLDA-LBPRGKRZSA-N	0	1	347.400	0.846	50	30		ECEAMN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	ZINC000241231299	267308480	/nfs/dbraw/zinc/30/84/80/267308480.db2.gz	KTTQXMRATJOLDA-GFCCVEGCSA-N	0	1	347.400	0.846	50	30		ECEAMN
Cn1c(NN=Cc2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000252604339	436837430	/nfs/dbraw/zinc/83/74/30/436837430.db2.gz	FYWGANDRLFOYKW-UHFFFAOYSA-N	0	1	330.323	0.556	50	30		ECEAMN
CCOC(=O)CON=C(C(=O)N1Cc2ccncc2C1)c1cc[nH]n1	ZINC000606446199	439409344	/nfs/dbraw/zinc/40/93/44/439409344.db2.gz	BTADDPXWXRQSPG-UHFFFAOYSA-N	0	1	343.343	0.631	50	30		ECEAMN
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(C=O)CC3)c2c1	ZINC000040267948	213285803	/nfs/dbraw/zinc/28/58/03/213285803.db2.gz	GSQLIIMGJYENBB-INIZCTEOSA-N	0	1	342.355	0.970	50	30		ECEAMN
CC(C)(C)[C@H](O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000069626835	435953993	/nfs/dbraw/zinc/95/39/93/435953993.db2.gz	QZPNBLNFIZBRLP-CRAIPNDOSA-N	0	1	336.480	0.819	50	30		ECEAMN
CN1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000195574128	436693842	/nfs/dbraw/zinc/69/38/42/436693842.db2.gz	QAWPFOYSNWAIGG-UHFFFAOYSA-N	0	1	342.852	0.737	50	30		ECEAMN
CC[C@H](O)CN1CCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1	ZINC000253433503	436847229	/nfs/dbraw/zinc/84/72/29/436847229.db2.gz	XQDYDEGKKIHPPY-ZDUSSCGKSA-N	0	1	338.433	0.099	50	30		ECEAMN
Cn1c(NN=Cc2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004115059	210123284	/nfs/dbraw/zinc/12/32/84/210123284.db2.gz	FYWGANDRLFOYKW-CAOOACKPSA-N	0	1	330.323	0.556	50	30		ECEAMN
C=CCc1c(C)nc(N)nc1N1CCN(c2cnn(C)c(=O)c2)CC1	ZINC000095365541	218298106	/nfs/dbraw/zinc/29/81/06/218298106.db2.gz	UVCYOCOMOIVOEQ-UHFFFAOYSA-N	0	1	341.419	0.516	50	30		ECEAMN
C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000330195063	279111529	/nfs/dbraw/zinc/11/15/29/279111529.db2.gz	BJXGKUKOVXBWCT-MGPQQGTHSA-N	0	1	347.481	0.255	50	30		ECEAMN
CN(C[C@H](O)CN1CCN(C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382672	436410047	/nfs/dbraw/zinc/41/00/47/436410047.db2.gz	KSMIZPSSBNARTM-SFHVURJKSA-N	0	1	344.459	0.288	50	30		ECEAMN
CC(C)n1c(NN=Cc2ccncc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004137506	210129641	/nfs/dbraw/zinc/12/96/41/210129641.db2.gz	YPZZDUKDSBTNLZ-CAOOACKPSA-N	0	1	327.348	0.845	50	30		ECEAMN
N#Cc1ccccc1CN1CC[C@@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689355	215186549	/nfs/dbraw/zinc/18/65/49/215186549.db2.gz	TVKVSHPKAZWGPO-ZDUSSCGKSA-N	0	1	339.399	0.762	50	30		ECEAMN
C#CCOC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020725479	212165436	/nfs/dbraw/zinc/16/54/36/212165436.db2.gz	KVAUOXKLVCFQIM-INIZCTEOSA-N	0	1	332.400	0.544	50	30		ECEAMN
CC(C)(C)[C@@H](O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000069626837	435953444	/nfs/dbraw/zinc/95/34/44/435953444.db2.gz	QZPNBLNFIZBRLP-MAUKXSAKSA-N	0	1	336.480	0.819	50	30		ECEAMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(O)cc(C)oc2=O)cc1	ZINC000043191014	436328241	/nfs/dbraw/zinc/32/82/41/436328241.db2.gz	QBRBTTBFJSSPGB-CYBMUJFWSA-N	0	1	338.341	0.322	50	30		ECEAMN
C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cccn3)C[C@]2(C(=O)[O-])C1	ZINC000092077050	436468026	/nfs/dbraw/zinc/46/80/26/436468026.db2.gz	FIWNDIUXMOMQCJ-RHSMWYFYSA-N	0	1	332.404	0.694	50	30		ECEAMN
C=CC[S@@](=O)C[C@@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000138760660	436663682	/nfs/dbraw/zinc/66/36/82/436663682.db2.gz	LWKOLMADZLFMAF-OCGLXOCMSA-N	0	1	336.457	0.563	50	30		ECEAMN
N#Cc1cccnc1NC[C@H]1CCN(CC(=O)N2CCOCC2)C1	ZINC000065496889	436665163	/nfs/dbraw/zinc/66/51/63/436665163.db2.gz	CPWJHEYAWMCSGG-CQSZACIVSA-N	0	1	329.404	0.546	50	30		ECEAMN
C=CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)cn1	ZINC000065410220	258012058	/nfs/dbraw/zinc/01/20/58/258012058.db2.gz	OYXRRGNMWPPNEI-CRAIPNDOSA-N	0	1	344.415	0.824	50	30		ECEAMN
CN1CCCNC(=O)C12CCN(C(=O)c1ccc(C#N)nc1)CC2	ZINC000221320743	436701445	/nfs/dbraw/zinc/70/14/45/436701445.db2.gz	DMOKQZVKAJXMLW-UHFFFAOYSA-N	0	1	327.388	0.380	50	30		ECEAMN
COc1cc(=O)n(C)cc1C(=O)N1CCc2[nH]c(=O)c(C#N)cc2C1	ZINC000225683684	436713049	/nfs/dbraw/zinc/71/30/49/436713049.db2.gz	FGZWVYOKGJMDKE-UHFFFAOYSA-N	0	1	340.339	0.152	50	30		ECEAMN
C=CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1	ZINC000022795734	518880785	/nfs/dbraw/zinc/88/07/85/518880785.db2.gz	WPEIJTIXJLRSMU-INIZCTEOSA-N	0	1	348.422	0.533	50	30		ECEAMN
C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@H]1COCCN1)CC2	ZINC000091706445	436459431	/nfs/dbraw/zinc/45/94/31/436459431.db2.gz	QAAZZPJJIPCPEM-HNNXBMFYSA-N	0	1	335.448	0.782	50	30		ECEAMN
C#CC[C@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)C(N)=O	ZINC000095467226	436496472	/nfs/dbraw/zinc/49/64/72/436496472.db2.gz	YNEVPKVKLWDPLD-AWEZNQCLSA-N	0	1	329.404	0.437	50	30		ECEAMN
N#Cc1ccc(NC[C@H]2CCN(CC(=O)N3CCOCC3)C2)nc1	ZINC000065513158	436665358	/nfs/dbraw/zinc/66/53/58/436665358.db2.gz	SCGJQDHXAUMCLO-OAHLLOKOSA-N	0	1	329.404	0.546	50	30		ECEAMN
C[C@H](C(=O)/N=C1/NC(=O)C(C)S1)N1C(=O)c2ccccc2C1=O	ZINC000009071865	211038085	/nfs/dbraw/zinc/03/80/85/211038085.db2.gz	YWPDAFFLOGPAGJ-HTQZYQBOSA-N	0	1	331.353	0.805	50	30		ECEAMN
CN(CC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(C#N)cn1	ZINC000069777942	435965342	/nfs/dbraw/zinc/96/53/42/435965342.db2.gz	LVNIAWHEHVDWKJ-UHFFFAOYSA-N	0	1	331.420	0.305	50	30		ECEAMN
CN(C)CC(=O)N1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1	ZINC000096298208	436530247	/nfs/dbraw/zinc/53/02/47/436530247.db2.gz	VZWZPOSAZOCRHR-SREVYHEPSA-N	0	1	326.400	0.804	50	30		ECEAMN
CCN(CCC#N)C(=O)CN1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1	ZINC000229306151	436715132	/nfs/dbraw/zinc/71/51/32/436715132.db2.gz	MEWXNCJWENCFFB-RDJZCZTQSA-N	0	1	349.479	0.233	50	30		ECEAMN
C=CCN1CCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712802	215191704	/nfs/dbraw/zinc/19/17/04/215191704.db2.gz	NSZDWFONUPDNEI-CQSZACIVSA-N	0	1	333.436	0.948	50	30		ECEAMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3cnn(C)c3C3CC3)C[C@H]2C1=O	ZINC000072432016	216225146	/nfs/dbraw/zinc/22/51/46/216225146.db2.gz	QAVMUFWTDDAKCC-KSSFIOAISA-N	0	1	344.415	0.829	50	30		ECEAMN
CCc1nc(CN(C)[C@@H]2CCN(CCn3cc(C#N)cn3)C2)no1	ZINC000078891423	217140258	/nfs/dbraw/zinc/14/02/58/217140258.db2.gz	SPJLXSHEBAPNRY-CQSZACIVSA-N	0	1	329.408	0.906	50	30		ECEAMN
COc1nccc(N2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000107700654	436614922	/nfs/dbraw/zinc/61/49/22/436614922.db2.gz	TYXLUWRRZACZPG-QGZVFWFLSA-N	0	1	329.404	0.753	50	30		ECEAMN
CCn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000003893128	210085526	/nfs/dbraw/zinc/08/55/26/210085526.db2.gz	LAGAESOUWYCSRI-RQZCQDPDSA-N	0	1	342.359	0.605	50	30		ECEAMN
CN(C)CCCN1CNC(=NS(=O)(=O)c2ccccc2)NC1	ZINC000022607942	212309889	/nfs/dbraw/zinc/30/98/89/212309889.db2.gz	NKDAXDHRZUTKIP-UHFFFAOYSA-N	0	1	325.438	0.093	50	30		ECEAMN
C[C@@H](C(=O)/N=C1/NC(=O)C(C)S1)N1C(=O)c2ccccc2C1=O	ZINC000009071874	211038179	/nfs/dbraw/zinc/03/81/79/211038179.db2.gz	YWPDAFFLOGPAGJ-YUMQZZPRSA-N	0	1	331.353	0.805	50	30		ECEAMN
CCN1CCN(c2c(C#N)c3c(c4nncn42)CN(C)CC3)CC1	ZINC000013734090	436066476	/nfs/dbraw/zinc/06/64/76/436066476.db2.gz	UGKNRPAXJOWOTO-UHFFFAOYSA-N	0	1	325.420	0.731	50	30		ECEAMN
C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3cnn(C)c3)C[C@]2(C(=O)[O-])C1	ZINC000091304659	436449534	/nfs/dbraw/zinc/44/95/34/436449534.db2.gz	OZCBTOYKDPWGSU-RHSMWYFYSA-N	0	1	332.404	0.384	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@](C)(CO)C2)CC1	ZINC000253370056	436839155	/nfs/dbraw/zinc/83/91/55/436839155.db2.gz	LMMCGHNVDCBIOO-WMZOPIPTSA-N	0	1	336.480	0.773	50	30		ECEAMN
Cc1noc([C@]23CN(c4ncncc4C#N)C[C@H]2CN(C)CC3)n1	ZINC000685940861	549727159	/nfs/dbraw/zinc/72/71/59/549727159.db2.gz	XQTNTPKWKQRKAE-CZUORRHYSA-N	0	1	325.376	0.749	50	30		ECEAMN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCOC)C2)c1	ZINC000078602883	217083658	/nfs/dbraw/zinc/08/36/58/217083658.db2.gz	IQAUNUIBHGEIPB-INIZCTEOSA-N	0	1	329.400	0.833	50	30		ECEAMN
COc1nccc(N2CCN(C)[C@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000092065432	218113178	/nfs/dbraw/zinc/11/31/78/218113178.db2.gz	TYXLUWRRZACZPG-KRWDZBQOSA-N	0	1	329.404	0.753	50	30		ECEAMN
Cn1nc2c(cc1=O)CN(C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064389	436192512	/nfs/dbraw/zinc/19/25/12/436192512.db2.gz	NSFLQGSWGSNPMC-HNNXBMFYSA-N	0	1	340.383	0.450	50	30		ECEAMN
COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602759	436273339	/nfs/dbraw/zinc/27/33/39/436273339.db2.gz	IESOZFCSJOZLTH-MRXNPFEDSA-N	0	1	344.415	0.918	50	30		ECEAMN
C=CC[S@](=O)C[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138804916	436662890	/nfs/dbraw/zinc/66/28/90/436662890.db2.gz	LWKOLMADZLFMAF-WBVLODKDSA-N	0	1	336.457	0.563	50	30		ECEAMN
C=CC[S@](=O)C[C@@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000138804916	436662894	/nfs/dbraw/zinc/66/28/94/436662894.db2.gz	LWKOLMADZLFMAF-WBVLODKDSA-N	0	1	336.457	0.563	50	30		ECEAMN
Cc1nc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)n[nH]1	ZINC000426503780	438063168	/nfs/dbraw/zinc/06/31/68/438063168.db2.gz	ZNWOMFRYFTXYSN-NSHDSACASA-N	0	1	340.391	0.973	50	30		ECEAMN
CCOC(=O)CON=C(C(=O)N1Cc2cccnc2C1)c1cc[nH]n1	ZINC000606445195	439408879	/nfs/dbraw/zinc/40/88/79/439408879.db2.gz	JRIUOJSCENOFBC-UHFFFAOYSA-N	0	1	343.343	0.631	50	30		ECEAMN
CON=CC(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O	ZINC000606445832	439409213	/nfs/dbraw/zinc/40/92/13/439409213.db2.gz	UFIGXKSJYJSISF-UHFFFAOYSA-N	0	1	346.387	0.305	50	30		ECEAMN
C#C[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C1CCOCC1	ZINC000583651984	439495519	/nfs/dbraw/zinc/49/55/19/439495519.db2.gz	WOUZKOUZWUSHFK-GFCCVEGCSA-N	0	1	328.376	0.334	50	30		ECEAMN
CN1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000070007271	435982018	/nfs/dbraw/zinc/98/20/18/435982018.db2.gz	PSWMVJNKEBTHBZ-UHFFFAOYSA-N	0	1	349.822	0.514	50	30		ECEAMN
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](O)C2)CC1	ZINC000097230964	436541410	/nfs/dbraw/zinc/54/14/10/436541410.db2.gz	YYOIKQBRHFRSLR-SJORKVTESA-N	0	1	346.406	0.601	50	30		ECEAMN
CCC#CC[N@H+]1CCN(c2cc(NCCO)ncn2)C[C@@H](C(=O)[O-])C1	ZINC000217788794	241274524	/nfs/dbraw/zinc/27/45/24/241274524.db2.gz	DMVMTJABAVSXOT-AWEZNQCLSA-N	0	1	347.419	0.117	50	30		ECEAMN
COc1cccc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2C)c1O	ZINC000005163957	435982056	/nfs/dbraw/zinc/98/20/56/435982056.db2.gz	VCWWUJFGBLAYJK-FRKPEAEDSA-N	0	1	344.331	0.121	50	30		ECEAMN
Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000008655027	436030777	/nfs/dbraw/zinc/03/07/77/436030777.db2.gz	ITVKVMVWIJENNI-LZYBPNLTSA-N	0	1	328.332	0.122	50	30		ECEAMN
C=CCN1C[C@@]2(C(=O)[O-])CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2C1=O	ZINC000077453314	436238852	/nfs/dbraw/zinc/23/88/52/436238852.db2.gz	YNTWUMMWKZSTRQ-MEDUHNTESA-N	0	1	327.344	0.493	50	30		ECEAMN
CN(C[C@@H](O)CN1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452874	436532981	/nfs/dbraw/zinc/53/29/81/436532981.db2.gz	MWJKIUCIHKGPBH-OAHLLOKOSA-N	0	1	333.392	0.511	50	30		ECEAMN
O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC[C@H]1Cn1ccnn1	ZINC000328969106	437293814	/nfs/dbraw/zinc/29/38/14/437293814.db2.gz	AOAPMFGKXCJAQD-STQMWFEESA-N	0	1	341.437	0.624	50	30		ECEAMN
C#CCNS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(C)c2C)cc1	ZINC000952994041	612140881	/nfs/dbraw/zinc/14/08/81/612140881.db2.gz	ONCDXAOUSBESMQ-UHFFFAOYSA-N	0	1	346.412	0.868	50	30		ECEAMN
N#Cc1cccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@H](O)C2)c1	ZINC000097696324	219048393	/nfs/dbraw/zinc/04/83/93/219048393.db2.gz	VNRCZVMNCCVIIU-INIZCTEOSA-N	0	1	325.372	0.600	50	30		ECEAMN
C#CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097503	436256605	/nfs/dbraw/zinc/25/66/05/436256605.db2.gz	SGDFAFOASAEXHQ-KRWDZBQOSA-N	0	1	336.432	0.733	50	30		ECEAMN
CCCc1nc([C@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCO2)n[nH]1	ZINC000078893235	436282641	/nfs/dbraw/zinc/28/26/41/436282641.db2.gz	PWMBLTHBUFBVLH-QWHCGFSZSA-N	0	1	334.424	0.891	50	30		ECEAMN
CCCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1	ZINC000078893235	436282646	/nfs/dbraw/zinc/28/26/46/436282646.db2.gz	PWMBLTHBUFBVLH-QWHCGFSZSA-N	0	1	334.424	0.891	50	30		ECEAMN
CCn1c(NN=Cc2ccncc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004812340	210283295	/nfs/dbraw/zinc/28/32/95/210283295.db2.gz	NTGKKFBZNHSRIP-RQZCQDPDSA-N	0	1	327.348	0.295	50	30		ECEAMN
Cn1c(NC[C@H](c2ccco2)N2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000028749759	294165194	/nfs/dbraw/zinc/16/51/94/294165194.db2.gz	CWVRAZPZGWCMKM-CYBMUJFWSA-N	0	1	343.387	0.798	50	30		ECEAMN
CCOc1cc(C=NNc2[nH]c(=O)nnc2C)cc([N+](=O)[O-])c1O	ZINC000036096826	436256131	/nfs/dbraw/zinc/25/61/31/436256131.db2.gz	PYWMYYFMCLCFBO-MKMNVTDBSA-N	0	1	334.292	0.932	50	30		ECEAMN
N#Cc1ccnc(N2CCN(CCC(=O)N3CCOCC3)CC2)c1	ZINC000044944032	436355918	/nfs/dbraw/zinc/35/59/18/436355918.db2.gz	YWHCBQRCEKENAT-UHFFFAOYSA-N	0	1	329.404	0.324	50	30		ECEAMN
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000096421251	436531603	/nfs/dbraw/zinc/53/16/03/436531603.db2.gz	WZCCUKKPVROYRW-CQSZACIVSA-N	0	1	336.461	0.614	50	30		ECEAMN
CC(=NNC(=N)N)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000254703012	436850151	/nfs/dbraw/zinc/85/01/51/436850151.db2.gz	KQJBWLUCXKXODC-UHFFFAOYSA-N	0	1	335.389	0.965	50	30		ECEAMN
O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@H]1Cn1ccnn1	ZINC000328969105	437293712	/nfs/dbraw/zinc/29/37/12/437293712.db2.gz	AOAPMFGKXCJAQD-QWHCGFSZSA-N	0	1	341.437	0.624	50	30		ECEAMN
N#Cc1ccnc(N2CCC3(CCN(CC(N)=O)CC3)[C@@H](CO)C2)c1	ZINC000097636671	219043413	/nfs/dbraw/zinc/04/34/13/219043413.db2.gz	DSKUESUSVWBXTE-OAHLLOKOSA-N	0	1	343.431	0.339	50	30		ECEAMN
Cc1nc([C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000229299076	242152670	/nfs/dbraw/zinc/15/26/70/242152670.db2.gz	MLOXOPAPYLBDPF-GDBMZVCRSA-N	0	1	343.387	0.798	50	30		ECEAMN
COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602758	217084245	/nfs/dbraw/zinc/08/42/45/217084245.db2.gz	IESOZFCSJOZLTH-INIZCTEOSA-N	0	1	344.415	0.918	50	30		ECEAMN
C=CCc1c(C)nc(N)nc1N1CCN(C(=O)N2CCOCC2)CC1	ZINC000095387678	218319520	/nfs/dbraw/zinc/31/95/20/218319520.db2.gz	MMCQDRLXAHPDTQ-UHFFFAOYSA-N	0	1	346.435	0.670	50	30		ECEAMN
CCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000097286729	219009164	/nfs/dbraw/zinc/00/91/64/219009164.db2.gz	KLGAAGBEVPHZJG-UHFFFAOYSA-N	0	1	346.435	0.141	50	30		ECEAMN
CS(=O)(=O)NCCc1ccc(-c2csc(NC(=N)N)n2)cc1	ZINC000029456597	436202460	/nfs/dbraw/zinc/20/24/60/436202460.db2.gz	JAZLAKAPIJIYGM-UHFFFAOYSA-N	0	1	339.446	0.807	50	30		ECEAMN
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CC(N3CCOCC3)C1)C2	ZINC000077538338	436242879	/nfs/dbraw/zinc/24/28/79/436242879.db2.gz	AFNOQGBYVNSHFX-CYBMUJFWSA-N	0	1	346.431	0.641	50	30		ECEAMN
N#Cc1ccc(N2CCCN(CC(=O)N3CCOCC3)CC2)cc1	ZINC000046085751	436385308	/nfs/dbraw/zinc/38/53/08/436385308.db2.gz	RMHUBLCKRTUHGC-UHFFFAOYSA-N	0	1	328.416	0.929	50	30		ECEAMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@](C)(CO)C2)CC1	ZINC000089263637	436405978	/nfs/dbraw/zinc/40/59/78/436405978.db2.gz	LMMCGHNVDCBIOO-SJLPKXTDSA-N	0	1	336.480	0.773	50	30		ECEAMN
C[C@@H]1CN(C(=O)CN2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476418	436663055	/nfs/dbraw/zinc/66/30/55/436663055.db2.gz	HRPMWRAJNRUGRL-GDBMZVCRSA-N	0	1	343.431	0.934	50	30		ECEAMN
CCOC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccccc2OC)n1	ZINC000020064248	520904112	/nfs/dbraw/zinc/90/41/12/520904112.db2.gz	WLFWTNUEPUYITI-UHFFFAOYSA-N	0	1	345.359	0.942	50	30		ECEAMN
O=C1NC(=S)NC(=O)C1=NNc1ccc([N+](=O)[O-])cc1Cl	ZINC000828941880	591169773	/nfs/dbraw/zinc/16/97/73/591169773.db2.gz	WFOIKHKJTZPPRA-UHFFFAOYSA-N	0	1	327.709	0.547	50	30		ECEAMN
CCC#CC[N@H+]1CCN(c2cc(NCCO)ncn2)C[C@H](C(=O)[O-])C1	ZINC000097759438	219055421	/nfs/dbraw/zinc/05/54/21/219055421.db2.gz	DMVMTJABAVSXOT-CQSZACIVSA-N	0	1	347.419	0.117	50	30		ECEAMN
CCOC(=O)C=C(N)NNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000019898880	212080796	/nfs/dbraw/zinc/08/07/96/212080796.db2.gz	ADDQJNJMNNBKOX-UHFFFAOYSA-N	0	1	344.349	0.636	50	30		ECEAMN
CC(C)(C)[C@H](O)CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1	ZINC000069627818	435955057	/nfs/dbraw/zinc/95/50/57/435955057.db2.gz	QXMCYDDPOHKFGN-OAHLLOKOSA-N	0	1	336.480	0.964	50	30		ECEAMN
CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C#CCO)cs3)C[C@@]2(C(=O)[O-])C1	ZINC000096162489	436517513	/nfs/dbraw/zinc/51/75/13/436517513.db2.gz	ZNIMSVJTIARGIM-RHSMWYFYSA-N	0	1	348.424	0.457	50	30		ECEAMN
C[C@H](C(=O)N1CCOCC1)[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000222200572	436702232	/nfs/dbraw/zinc/70/22/32/436702232.db2.gz	UCPDMSKQBCJBPZ-ZBFHGGJFSA-N	0	1	343.431	0.934	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)CC1	ZINC000252486011	436833396	/nfs/dbraw/zinc/83/33/96/436833396.db2.gz	CLPGGWUBFSEBRY-IKGGRYGDSA-N	0	1	336.480	0.772	50	30		ECEAMN
CC(C)c1nc2c(n1C)CCN(CCC(=O)N1CCNC[C@@H]1C#N)C2	ZINC000888097470	586350072	/nfs/dbraw/zinc/35/00/72/586350072.db2.gz	KRJZJXWJBISKRU-AWEZNQCLSA-N	0	1	344.463	0.616	50	30		ECEAMN
CN1CCN(C(=O)C2(C#N)CCOCC2)C[C@@]12CCC(=O)N(C)CC2	ZINC000095387230	218319119	/nfs/dbraw/zinc/31/91/19/218319119.db2.gz	DVIXOFKOASDICH-SFHVURJKSA-N	0	1	348.447	0.462	50	30		ECEAMN
CC(C)Cn1c(NN=Cc2ccncc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000033396871	436253331	/nfs/dbraw/zinc/25/33/31/436253331.db2.gz	YWJXHIIKSUTQIU-LSCVHKIXSA-N	0	1	341.375	0.920	50	30		ECEAMN
CN(C)CC#CCNC(=O)Nc1cccc(OCC(=O)N(C)C)c1	ZINC000864060162	590053377	/nfs/dbraw/zinc/05/33/77/590053377.db2.gz	ACGUOFYHGUYOLZ-UHFFFAOYSA-N	0	1	332.404	0.840	50	30		ECEAMN
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C[C@@H](C(=O)/N=C1/NC(=O)C(C)S1)N1C(=O)c2ccccc2C1=O	ZINC000009071873	211037956	/nfs/dbraw/zinc/03/79/56/211037956.db2.gz	YWPDAFFLOGPAGJ-JGVFFNPUSA-N	0	1	331.353	0.805	50	30		ECEAMN
C[C@@H](C(=O)N1CCOCC1)[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000222200523	436702373	/nfs/dbraw/zinc/70/23/73/436702373.db2.gz	UCPDMSKQBCJBPZ-HOCLYGCPSA-N	0	1	343.431	0.934	50	30		ECEAMN
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CC(C)N1CCO[C@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469774	548017798	/nfs/dbraw/zinc/01/77/98/548017798.db2.gz	AWIZCWHEJWLYQA-MRXNPFEDSA-N	0	1	331.420	0.986	50	30		ECEAMN
CC(C)n1c(NN=Cc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009349588	211071953	/nfs/dbraw/zinc/07/19/53/211071953.db2.gz	KPOGSPMCLFNZQL-GIJQJNRQSA-N	0	1	341.375	0.856	50	30		ECEAMN
CCn1c(NN=Cc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004816134	210285874	/nfs/dbraw/zinc/28/58/74/210285874.db2.gz	GSPHALSOUVMABE-RQZCQDPDSA-N	0	1	327.348	0.295	50	30		ECEAMN
C#CCOc1cccc(NC(=O)C(=O)NCCN2CCN(C)CC2)c1	ZINC000071913650	436030562	/nfs/dbraw/zinc/03/05/62/436030562.db2.gz	SZVJFVULZZYHDH-UHFFFAOYSA-N	0	1	344.415	0.001	50	30		ECEAMN
CN(CC#CCNC(=O)CN(C)S(C)(=O)=O)Cc1ccccc1	ZINC000075165159	436155278	/nfs/dbraw/zinc/15/52/78/436155278.db2.gz	CWWBDQQTTSZYSZ-UHFFFAOYSA-N	0	1	337.445	0.129	50	30		ECEAMN
N#Cc1ccc(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)cc1	ZINC000048237284	436444410	/nfs/dbraw/zinc/44/44/10/436444410.db2.gz	PMIMDNMMAJLZHI-IBGZPJMESA-N	0	1	344.459	0.369	50	30		ECEAMN
C[C@]1(O)NC(=O)[C@H](C#N)[C@@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1	ZINC000252630160	436838153	/nfs/dbraw/zinc/83/81/53/436838153.db2.gz	UWDREXZEKUBQON-RTWAVKEYSA-N	0	1	342.315	0.489	50	30		ECEAMN
N#Cc1ccccc1CN1CC[C@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689354	215185784	/nfs/dbraw/zinc/18/57/84/215185784.db2.gz	TVKVSHPKAZWGPO-CYBMUJFWSA-N	0	1	339.399	0.762	50	30		ECEAMN
Cc1cc(C)nc(NC(=N)NCCc2ccc(S(N)(=O)=O)cc2)n1	ZINC000036145157	213072881	/nfs/dbraw/zinc/07/28/81/213072881.db2.gz	BNRHJMJGPCLOHY-UHFFFAOYSA-N	0	1	348.432	0.519	50	30		ECEAMN
CC(C)n1c(NN=Cc2ccncc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009357945	211074382	/nfs/dbraw/zinc/07/43/82/211074382.db2.gz	ZGJGNMKQTZSXHK-GIJQJNRQSA-N	0	1	341.375	0.856	50	30		ECEAMN
CCN(CCC#N)C(=O)CN1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055192	436189748	/nfs/dbraw/zinc/18/97/48/436189748.db2.gz	MEWXNCJWENCFFB-DOTOQJQBSA-N	0	1	349.479	0.233	50	30		ECEAMN
COCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1	ZINC000035421753	436256079	/nfs/dbraw/zinc/25/60/79/436256079.db2.gz	WUVQQPJAYUXTCW-UHFFFAOYSA-N	0	1	344.415	0.469	50	30		ECEAMN
CN1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000048302294	436448070	/nfs/dbraw/zinc/44/80/70/436448070.db2.gz	BRUOMBRWHVQWNG-UHFFFAOYSA-N	0	1	342.852	0.737	50	30		ECEAMN
N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1	ZINC000195549380	436694221	/nfs/dbraw/zinc/69/42/21/436694221.db2.gz	SOLSHSWXSQJRSK-AEFFLSMTSA-N	0	1	342.443	0.710	50	30		ECEAMN
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000408028067	438489597	/nfs/dbraw/zinc/48/95/97/438489597.db2.gz	OBPYFYMXJNRPEW-GJZGRUSLSA-N	0	1	328.482	0.578	50	30		ECEAMN
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1N1CCN(C)CC1	ZINC000408028067	438489600	/nfs/dbraw/zinc/48/96/00/438489600.db2.gz	OBPYFYMXJNRPEW-GJZGRUSLSA-N	0	1	328.482	0.578	50	30		ECEAMN
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CCc1nnc(N(C)C[C@H](O)CN2CCN(C)CC2)c(C#N)c1CC	ZINC000095412044	218349190	/nfs/dbraw/zinc/34/91/90/218349190.db2.gz	LSMNNPZTVRBBJC-AWEZNQCLSA-N	0	1	346.479	0.518	50	30		ECEAMN
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1N1CCN(C)CC1	ZINC000408028066	297040498	/nfs/dbraw/zinc/04/04/98/297040498.db2.gz	OBPYFYMXJNRPEW-CABCVRRESA-N	0	1	328.482	0.578	50	30		ECEAMN
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N#Cc1ccc(NC[C@@H]2CCN(CC(=O)N3CCNC3=O)C2)nc1	ZINC000097200633	201382756	/nfs/dbraw/zinc/38/27/56/201382756.db2.gz	JKKJJIMROPGGAB-ZDUSSCGKSA-N	0	1	328.376	0.239	50	30		ECEAMN
OCC#Cc1csc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1	ZINC000011818527	211253006	/nfs/dbraw/zinc/25/30/06/211253006.db2.gz	RGIWVZSRAQHOPH-IAGOWNOFSA-N	0	1	336.457	0.359	50	30		ECEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000085699398	436389986	/nfs/dbraw/zinc/38/99/86/436389986.db2.gz	WKEYEADUZFQINL-AVUWZVCYSA-N	0	1	325.368	0.637	50	30		ECEAMN
N#Cc1ccnc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000044949633	436357770	/nfs/dbraw/zinc/35/77/70/436357770.db2.gz	KOUGYEJOTYPSAB-DLBZAZTESA-N	0	1	346.431	0.632	50	30		ECEAMN
CCc1nnc(N(C)C[C@@H](O)CN2CCN(C)CC2)c(C#N)c1CC	ZINC000095412045	436493434	/nfs/dbraw/zinc/49/34/34/436493434.db2.gz	LSMNNPZTVRBBJC-CQSZACIVSA-N	0	1	346.479	0.518	50	30		ECEAMN
N#Cc1ccccc1N1CCN(CCC(=O)N2CCOCC2)CC1	ZINC000069324943	436768479	/nfs/dbraw/zinc/76/84/79/436768479.db2.gz	XBYVNISRXJZQKY-UHFFFAOYSA-N	0	1	328.416	0.929	50	30		ECEAMN
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1	ZINC000328590424	437236835	/nfs/dbraw/zinc/23/68/35/437236835.db2.gz	MJYOTIUDJHBJJM-KRWDZBQOSA-N	0	1	347.463	0.829	50	30		ECEAMN
C=CCn1c(NN=Cc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004170004	519195193	/nfs/dbraw/zinc/19/51/93/519195193.db2.gz	NFBITDOIULUJFE-RQZCQDPDSA-N	0	1	325.332	0.450	50	30		ECEAMN
N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1	ZINC000091580860	436455005	/nfs/dbraw/zinc/45/50/05/436455005.db2.gz	SOLSHSWXSQJRSK-FUHWJXTLSA-N	0	1	342.443	0.710	50	30		ECEAMN
CNC(=O)NC(=O)CCN1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000058209319	436621809	/nfs/dbraw/zinc/62/18/09/436621809.db2.gz	AHDZCPKLKHCAKI-UHFFFAOYSA-N	0	1	329.404	0.522	50	30		ECEAMN
COc1ccccc1-c1n[nH]c(NC(=O)CN(C)S(C)(=O)=O)n1	ZINC000058290187	436623371	/nfs/dbraw/zinc/62/33/71/436623371.db2.gz	RZEGJCLJTHVUEA-UHFFFAOYSA-N	0	1	339.377	0.960	50	30		ECEAMN
NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCc3c[nH]nc3C2)c1	ZINC000328594374	437237993	/nfs/dbraw/zinc/23/79/93/437237993.db2.gz	GKWDQQHZVPUNNI-LBPRGKRZSA-N	0	1	349.416	0.618	50	30		ECEAMN
NS(=O)(=O)c1cccc(CNC([O-])=[NH+][C@H]2CCc3cn[nH]c3C2)c1	ZINC000328594374	437237999	/nfs/dbraw/zinc/23/79/99/437237999.db2.gz	GKWDQQHZVPUNNI-LBPRGKRZSA-N	0	1	349.416	0.618	50	30		ECEAMN
CCOC(=O)CON=C(C(=O)NCc1ncc(C)cn1)c1ccn[nH]1	ZINC000606445221	439410001	/nfs/dbraw/zinc/41/00/01/439410001.db2.gz	CQEPUXPEYGGKSN-UHFFFAOYSA-N	0	1	346.347	0.108	50	30		ECEAMN
C[C@@H]1CN(C(=O)CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200728	201033414	/nfs/dbraw/zinc/03/34/14/201033414.db2.gz	HRPMWRAJNRUGRL-ZBFHGGJFSA-N	0	1	343.431	0.934	50	30		ECEAMN
CC(C)(C)[C@@H](O)CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1	ZINC000069627822	435953901	/nfs/dbraw/zinc/95/39/01/435953901.db2.gz	QXMCYDDPOHKFGN-HNNXBMFYSA-N	0	1	336.480	0.964	50	30		ECEAMN
CC(C)[C@H](C#N)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000069652743	435955310	/nfs/dbraw/zinc/95/53/10/435955310.db2.gz	ICFJBVNJAXPAPC-AWEZNQCLSA-N	0	1	326.356	0.922	50	30		ECEAMN
O=C1NC(=S)NC(=O)C1=NNc1cccc(Br)c1	ZINC000006161175	435997270	/nfs/dbraw/zinc/99/72/70/435997270.db2.gz	IDQZVEXENZVANI-UHFFFAOYSA-N	0	1	327.163	0.748	50	30		ECEAMN
N#Cc1ccnc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)c1	ZINC000044949637	436356879	/nfs/dbraw/zinc/35/68/79/436356879.db2.gz	KOUGYEJOTYPSAB-IAGOWNOFSA-N	0	1	346.431	0.632	50	30		ECEAMN
C#Cc1cccc(NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)c1	ZINC000096424068	436532675	/nfs/dbraw/zinc/53/26/75/436532675.db2.gz	MKLKAFMFUHRSJM-QGZVFWFLSA-N	0	1	330.432	0.740	50	30		ECEAMN
Cc1[nH]ncc1CNC(=O)N1CCN(C(=O)c2ccccn2)CC1	ZINC000328659805	437248312	/nfs/dbraw/zinc/24/83/12/437248312.db2.gz	UEXNKXBFJXBQJG-UHFFFAOYSA-N	0	1	328.376	0.985	50	30		ECEAMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@H](n3cccn3)C2)C1	ZINC000329790616	437413166	/nfs/dbraw/zinc/41/31/66/437413166.db2.gz	CXCYPSISPKRDBU-OLZOCXBDSA-N	0	1	341.437	0.325	50	30		ECEAMN
C=CCn1c(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)nc2ccccc21	ZINC000072408587	216199817	/nfs/dbraw/zinc/19/98/17/216199817.db2.gz	UMOJXIBWXUHUIO-KPZWWZAWSA-N	0	1	340.383	0.855	50	30		ECEAMN
C=C(C)CS(=O)(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000189631730	201047926	/nfs/dbraw/zinc/04/79/26/201047926.db2.gz	OXPNBELBJSEUOD-INIZCTEOSA-N	0	1	345.509	0.619	50	30		ECEAMN
C=CC[C@H](NC(C)=O)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1	ZINC000069741589	203314436	/nfs/dbraw/zinc/31/44/36/203314436.db2.gz	JKLUWBAEIUQPRR-LSDHHAIUSA-N	0	1	325.453	0.618	50	30		ECEAMN
COCC[C@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1	ZINC000091950839	436464219	/nfs/dbraw/zinc/46/42/19/436464219.db2.gz	SVRHIZDUNRRUAT-QGZVFWFLSA-N	0	1	333.388	0.806	50	30		ECEAMN
C#Cc1cccc(NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)c1	ZINC000096424069	436532190	/nfs/dbraw/zinc/53/21/90/436532190.db2.gz	MKLKAFMFUHRSJM-KRWDZBQOSA-N	0	1	330.432	0.740	50	30		ECEAMN
O=C1c2ccc(O)c(CN3CCOCC3)c2O/C1=C\N1CCOCC1	ZINC000103895872	436556483	/nfs/dbraw/zinc/55/64/83/436556483.db2.gz	KTFUQCDHGPHABM-VBKFSLOCSA-N	0	1	346.383	0.973	50	30		ECEAMN
CCCc1nc([C@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)CCO2)n[nH]1	ZINC000107056916	436606751	/nfs/dbraw/zinc/60/67/51/436606751.db2.gz	HPXPNCWCQRNRBH-CXAGYDPISA-N	0	1	346.435	0.939	50	30		ECEAMN
CCCc1n[nH]c([C@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)CCO2)n1	ZINC000107056916	436606753	/nfs/dbraw/zinc/60/67/53/436606753.db2.gz	HPXPNCWCQRNRBH-CXAGYDPISA-N	0	1	346.435	0.939	50	30		ECEAMN
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1	ZINC000108376102	436617091	/nfs/dbraw/zinc/61/70/91/436617091.db2.gz	CLAQFBBINYNFFA-HUUCEWRRSA-N	0	1	348.472	0.771	50	30		ECEAMN
C=CCN1CCC[C@@H]1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1	ZINC000065421288	436659152	/nfs/dbraw/zinc/65/91/52/436659152.db2.gz	WSEOPEPOMUCFML-MRXNPFEDSA-N	0	1	330.432	0.666	50	30		ECEAMN
CCn1c(NN=Cc2ccc(O)cc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004095269	523211337	/nfs/dbraw/zinc/21/13/37/523211337.db2.gz	ZEPKGTKFVHUOAD-FRKPEAEDSA-N	0	1	344.331	0.300	50	30		ECEAMN
CC(C)(O)C#Cc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1	ZINC000952990298	612140221	/nfs/dbraw/zinc/14/02/21/612140221.db2.gz	HWJAWZFOTZWUAP-HNNXBMFYSA-N	0	1	341.367	0.958	50	30		ECEAMN
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NN1CC[NH+](C)CC1	ZINC000020828066	202056376	/nfs/dbraw/zinc/05/63/76/202056376.db2.gz	ZEDIJDYVYSSDOE-GZTJUZNOSA-N	0	1	344.375	0.964	50	30		ECEAMN
O=S1(=O)CC=C(CSC(=S)N[C@H]2CCS(=O)(=O)C2)C1	ZINC000334158290	437296117	/nfs/dbraw/zinc/29/61/17/437296117.db2.gz	DMSNOHNJCUANNV-VIFPVBQESA-P	0	1	342.509	0.694	50	30		ECEAMN
COC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccccc2OC)n1	ZINC000002484489	435966116	/nfs/dbraw/zinc/96/61/16/435966116.db2.gz	MGFMZQPFCZUPQV-UHFFFAOYSA-N	0	1	331.332	0.552	50	30		ECEAMN
C=CCn1c(NN=Cc2ccncc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000003893387	435975770	/nfs/dbraw/zinc/97/57/70/435975770.db2.gz	XIZBKGFARALTID-VCHYOVAHSA-N	0	1	339.359	0.461	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@](C)(CO)C2)CC1	ZINC000089263638	436406053	/nfs/dbraw/zinc/40/60/53/436406053.db2.gz	LMMCGHNVDCBIOO-FUHWJXTLSA-N	0	1	336.480	0.773	50	30		ECEAMN
C=CCN1CCC[C@H]1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1	ZINC000065421287	436659801	/nfs/dbraw/zinc/65/98/01/436659801.db2.gz	WSEOPEPOMUCFML-INIZCTEOSA-N	0	1	330.432	0.666	50	30		ECEAMN
CCOC(=O)c1c[nH]c(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1	ZINC000328591473	437237654	/nfs/dbraw/zinc/23/76/54/437237654.db2.gz	HIUNZUZVVQPGTB-QMMMGPOBSA-N	0	1	332.320	0.951	50	30		ECEAMN
CN(CCN(C)C(=O)CC#N)CCN1C(=O)c2ccccc2C1=O	ZINC000576219363	438773054	/nfs/dbraw/zinc/77/30/54/438773054.db2.gz	ZCFALZXIRUOXLQ-UHFFFAOYSA-N	0	1	328.372	0.586	50	30		ECEAMN
N#Cc1cc2c(ccn(CCN3CCCC[C@H]3CO)c2=O)nc1O	ZINC000067674373	283115522	/nfs/dbraw/zinc/11/55/22/283115522.db2.gz	IJGVQXRQNNWTEU-ZDUSSCGKSA-N	0	1	328.372	0.821	50	30		ECEAMN
CCn1c(=O)c2c(nc(NN=Cc3ccccc3O)n2C)n(C)c1=O	ZINC000036693403	213110039	/nfs/dbraw/zinc/11/00/39/213110039.db2.gz	SISBYBSLZLONJO-RQZCQDPDSA-N	0	1	342.359	0.605	50	30		ECEAMN
N#Cc1ccc(CN2CCCN(Cc3nc(N)nc(N)n3)CC2)cc1	ZINC000021405538	212223829	/nfs/dbraw/zinc/22/38/29/212223829.db2.gz	XWGHRDFONCUJGU-UHFFFAOYSA-N	0	1	338.419	0.616	50	30		ECEAMN
CN1C(=O)NC(=O)C(=NNc2ccc(Br)cc2)C1=O	ZINC000005730865	277016119	/nfs/dbraw/zinc/01/61/19/277016119.db2.gz	QMPQIZXYHRVDSC-OVCLIPMQSA-N	0	1	325.122	0.925	50	30		ECEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(C)C(=O)[C@H]32)C1=O	ZINC000015319309	277861935	/nfs/dbraw/zinc/86/19/35/277861935.db2.gz	WKEYEADUZFQINL-QSUJAYFNSA-N	0	1	325.368	0.637	50	30		ECEAMN
Cc1nc([C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000076048253	436186686	/nfs/dbraw/zinc/18/66/86/436186686.db2.gz	MLOXOPAPYLBDPF-HOCLYGCPSA-N	0	1	343.387	0.798	50	30		ECEAMN
CN(C[C@@H](O)CN1CCN(C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382670	436410104	/nfs/dbraw/zinc/41/01/04/436410104.db2.gz	KSMIZPSSBNARTM-GOSISDBHSA-N	0	1	344.459	0.288	50	30		ECEAMN
CCCc1nc([C@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)n[nH]1	ZINC000107141195	436608486	/nfs/dbraw/zinc/60/84/86/436608486.db2.gz	PWMBLTHBUFBVLH-CHWSQXEVSA-N	0	1	334.424	0.891	50	30		ECEAMN
CCCc1n[nH]c([C@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCO2)n1	ZINC000107141195	436608488	/nfs/dbraw/zinc/60/84/88/436608488.db2.gz	PWMBLTHBUFBVLH-CHWSQXEVSA-N	0	1	334.424	0.891	50	30		ECEAMN
CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@H](n3cccn3)C2)C1	ZINC000329790615	437412591	/nfs/dbraw/zinc/41/25/91/437412591.db2.gz	CXCYPSISPKRDBU-CHWSQXEVSA-N	0	1	341.437	0.325	50	30		ECEAMN
C=CCOc1ccc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc1OC	ZINC000072478079	216257138	/nfs/dbraw/zinc/25/71/38/216257138.db2.gz	XLOGCIAYRHDNKX-SCLBCKFNSA-N	0	1	346.383	0.893	50	30		ECEAMN
CCCc1nc([C@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)CCO2)n[nH]1	ZINC000076049228	436187729	/nfs/dbraw/zinc/18/77/29/436187729.db2.gz	HPXPNCWCQRNRBH-DYVFJYSZSA-N	0	1	346.435	0.939	50	30		ECEAMN
CCCc1n[nH]c([C@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)CCO2)n1	ZINC000076049228	436187735	/nfs/dbraw/zinc/18/77/35/436187735.db2.gz	HPXPNCWCQRNRBH-DYVFJYSZSA-N	0	1	346.435	0.939	50	30		ECEAMN
C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH+]1CC(N3CCOCC3)C1)C2	ZINC000077538340	436243061	/nfs/dbraw/zinc/24/30/61/436243061.db2.gz	AFNOQGBYVNSHFX-ZDUSSCGKSA-N	0	1	346.431	0.641	50	30		ECEAMN
C=C(C)CS(=O)(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000189631711	526676827	/nfs/dbraw/zinc/67/68/27/526676827.db2.gz	OXPNBELBJSEUOD-MRXNPFEDSA-N	0	1	345.509	0.619	50	30		ECEAMN
Cc1c(C#N)c(=O)[nH]cc1C(=O)N1CCC2(CC(=O)N(C)C2)CC1	ZINC000072409516	216201231	/nfs/dbraw/zinc/20/12/31/216201231.db2.gz	VGVGCIZNWAVAGZ-UHFFFAOYSA-N	0	1	328.372	0.640	50	30		ECEAMN
CC(C)(O)C#Cc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000022918437	212334847	/nfs/dbraw/zinc/33/48/47/212334847.db2.gz	AXBCVUPTWJHOLU-OALUTQOASA-N	0	1	344.455	0.686	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC3CC3)CC2)CC1	ZINC000091540777	436452650	/nfs/dbraw/zinc/45/26/50/436452650.db2.gz	KHTZAXBQQNDZLN-SFHVURJKSA-N	0	1	347.507	0.706	50	30		ECEAMN
N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1	ZINC000091580862	436454476	/nfs/dbraw/zinc/45/44/76/436454476.db2.gz	SOLSHSWXSQJRSK-WMZOPIPTSA-N	0	1	342.443	0.710	50	30		ECEAMN
COc1nccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c1C#N	ZINC000071589458	436007516	/nfs/dbraw/zinc/00/75/16/436007516.db2.gz	MGOQNGUANXITPG-HZPDHXFCSA-N	0	1	331.420	0.149	50	30		ECEAMN
C[N@H+]1CCN(CCn2cc(C#N)c(=O)[n-]c2=O)[C@H](c2ccccc2)C1	ZINC000048279970	436446199	/nfs/dbraw/zinc/44/61/99/436446199.db2.gz	WBTUVMQKPLFUJG-INIZCTEOSA-N	0	1	339.399	0.809	50	30		ECEAMN
Cn1c(NC[C@@H](c2ccco2)N2CCCC2)c(C#N)c(=O)n(C)c1=O	ZINC000028749762	212634084	/nfs/dbraw/zinc/63/40/84/212634084.db2.gz	CWVRAZPZGWCMKM-ZDUSSCGKSA-N	0	1	343.387	0.798	50	30		ECEAMN
NS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)c1	ZINC000328594373	437238204	/nfs/dbraw/zinc/23/82/04/437238204.db2.gz	GKWDQQHZVPUNNI-GFCCVEGCSA-N	0	1	349.416	0.618	50	30		ECEAMN
NS(=O)(=O)c1cccc(CNC([O-])=[NH+][C@@H]2CCc3cn[nH]c3C2)c1	ZINC000328594373	437238209	/nfs/dbraw/zinc/23/82/09/437238209.db2.gz	GKWDQQHZVPUNNI-GFCCVEGCSA-N	0	1	349.416	0.618	50	30		ECEAMN
N#Cc1ccc(CN2CCCN(C(=O)CCNC(N)=O)CC2)cc1	ZINC000075862366	436180444	/nfs/dbraw/zinc/18/04/44/436180444.db2.gz	OCTWBGPKCSWADI-UHFFFAOYSA-N	0	1	329.404	0.651	50	30		ECEAMN
C=C(C)CN(CC)C(=O)CN1CCC(C(=O)NCCCO)CC1	ZINC000032928691	436248045	/nfs/dbraw/zinc/24/80/45/436248045.db2.gz	HRZXNGRILWORID-UHFFFAOYSA-N	0	1	325.453	0.622	50	30		ECEAMN
CN1CCC(C#N)(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000078869872	436280373	/nfs/dbraw/zinc/28/03/73/436280373.db2.gz	MQSIFOQXNYLADN-QGZVFWFLSA-N	0	1	342.443	0.992	50	30		ECEAMN
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000096421250	436532549	/nfs/dbraw/zinc/53/25/49/436532549.db2.gz	WZCCUKKPVROYRW-AWEZNQCLSA-N	0	1	336.461	0.614	50	30		ECEAMN
Cn1ccc(CCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1	ZINC000328834381	437270389	/nfs/dbraw/zinc/27/03/89/437270389.db2.gz	SAFWKEMBDCJILS-HNNXBMFYSA-N	0	1	335.452	0.921	50	30		ECEAMN
CCCn1c(NN=Cc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004137509	521632458	/nfs/dbraw/zinc/63/24/58/521632458.db2.gz	GILXULGHSOQOGL-RQZCQDPDSA-N	0	1	327.348	0.674	50	30		ECEAMN
CN1CC[NH+](Cc2ccc(Cn3cc(C#N)c(=O)[n-]c3=O)cc2)CC1	ZINC000069161913	215367382	/nfs/dbraw/zinc/36/73/82/215367382.db2.gz	IQPGWMLZRFGQTJ-UHFFFAOYSA-N	0	1	339.399	0.616	50	30		ECEAMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3cnc(NCC)nc3)C[C@H]2C1=O	ZINC000072453693	216240935	/nfs/dbraw/zinc/24/09/35/216240935.db2.gz	DELBFDGSFOAOBH-GUYCJALGSA-N	0	1	345.403	0.439	50	30		ECEAMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(O)cc(C)oc2=O)cc1	ZINC000043191012	436328552	/nfs/dbraw/zinc/32/85/52/436328552.db2.gz	QBRBTTBFJSSPGB-ZDUSSCGKSA-N	0	1	338.341	0.322	50	30		ECEAMN
CN(C[C@H](O)CN1CCN(C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893791	436026906	/nfs/dbraw/zinc/02/69/06/436026906.db2.gz	YFPDJNFALBWVKQ-AWEZNQCLSA-N	0	1	333.392	0.511	50	30		ECEAMN
CCCc1nc([C@@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)CCO2)n[nH]1	ZINC000076049223	436188150	/nfs/dbraw/zinc/18/81/50/436188150.db2.gz	HPXPNCWCQRNRBH-GUYCJALGSA-N	0	1	346.435	0.939	50	30		ECEAMN
CCCc1n[nH]c([C@@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)CCO2)n1	ZINC000076049223	436188155	/nfs/dbraw/zinc/18/81/55/436188155.db2.gz	HPXPNCWCQRNRBH-GUYCJALGSA-N	0	1	346.435	0.939	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CCC[C@H]2O)CC1	ZINC000252486015	436833848	/nfs/dbraw/zinc/83/38/48/436833848.db2.gz	CLPGGWUBFSEBRY-YESZJQIVSA-N	0	1	336.480	0.772	50	30		ECEAMN
CN(CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cn1	ZINC000252506856	436836214	/nfs/dbraw/zinc/83/62/14/436836214.db2.gz	WTKKDEQBYBQPHP-HZPDHXFCSA-N	0	1	343.431	0.447	50	30		ECEAMN
CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1	ZINC000328591472	437237794	/nfs/dbraw/zinc/23/77/94/437237794.db2.gz	HIUNZUZVVQPGTB-MRVPVSSYSA-N	0	1	332.320	0.951	50	30		ECEAMN
C=CCOc1ccc(CNCCNS(=O)(=O)N(C)C)cc1OC	ZINC000291424109	437588671	/nfs/dbraw/zinc/58/86/71/437588671.db2.gz	IJMUYXCJAFQDBF-UHFFFAOYSA-N	0	1	343.449	0.746	50	30		ECEAMN
N#Cc1ccccc1OCCN1CCC[C@@H](CNS(N)(=O)=O)C1	ZINC000069847276	435972644	/nfs/dbraw/zinc/97/26/44/435972644.db2.gz	VSUCBJUBHUCMJL-ZDUSSCGKSA-N	0	1	338.433	0.442	50	30		ECEAMN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC2(O)CCCC2)CC1	ZINC000089263703	436406745	/nfs/dbraw/zinc/40/67/45/436406745.db2.gz	IYMJFXHMSIQYCT-INIZCTEOSA-N	0	1	336.480	0.916	50	30		ECEAMN
CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1	ZINC000107058109	436608175	/nfs/dbraw/zinc/60/81/75/436608175.db2.gz	MEWXNCJWENCFFB-WBVHZDCISA-N	0	1	349.479	0.233	50	30		ECEAMN
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnc[nH]2)c1	ZINC000240897290	436759614	/nfs/dbraw/zinc/75/96/14/436759614.db2.gz	IRVIUNHMPDBMCN-UHFFFAOYSA-N	0	1	335.389	0.541	50	30		ECEAMN
CC[C@@H](O)CN1CCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1	ZINC000253433502	436848431	/nfs/dbraw/zinc/84/84/31/436848431.db2.gz	XQDYDEGKKIHPPY-CYBMUJFWSA-N	0	1	338.433	0.099	50	30		ECEAMN
Cc1nc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)n[nH]1	ZINC000426503778	438062317	/nfs/dbraw/zinc/06/23/17/438062317.db2.gz	ZNWOMFRYFTXYSN-LLVKDONJSA-N	0	1	340.391	0.973	50	30		ECEAMN
CCOC(=O)CON=C(C(=O)N1Cc2cncnc2C1)c1cc[nH]n1	ZINC000606446180	439408220	/nfs/dbraw/zinc/40/82/20/439408220.db2.gz	AGILLBJLQMQESU-UHFFFAOYSA-N	0	1	344.331	0.026	50	30		ECEAMN
C=CCN1CCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712801	215191379	/nfs/dbraw/zinc/19/13/79/215191379.db2.gz	NSZDWFONUPDNEI-AWEZNQCLSA-N	0	1	333.436	0.948	50	30		ECEAMN
N#Cc1ccccc1OCCN1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000069847273	435970714	/nfs/dbraw/zinc/97/07/14/435970714.db2.gz	VSUCBJUBHUCMJL-CYBMUJFWSA-N	0	1	338.433	0.442	50	30		ECEAMN
CCCc1nc([C@@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCO2)n[nH]1	ZINC000078893230	436282160	/nfs/dbraw/zinc/28/21/60/436282160.db2.gz	PWMBLTHBUFBVLH-STQMWFEESA-N	0	1	334.424	0.891	50	30		ECEAMN
CCCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1	ZINC000078893230	436282162	/nfs/dbraw/zinc/28/21/62/436282162.db2.gz	PWMBLTHBUFBVLH-STQMWFEESA-N	0	1	334.424	0.891	50	30		ECEAMN
C=CCNC(=O)CN1CC[NH+](Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000069519474	436778088	/nfs/dbraw/zinc/77/80/88/436778088.db2.gz	PYFGWPDHBCJRDV-UHFFFAOYSA-N	0	1	334.376	0.720	50	30		ECEAMN
CC(C)N1CCO[C@@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469773	548017723	/nfs/dbraw/zinc/01/77/23/548017723.db2.gz	AWIZCWHEJWLYQA-INIZCTEOSA-N	0	1	331.420	0.986	50	30		ECEAMN
C#CCOC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020725474	212165826	/nfs/dbraw/zinc/16/58/26/212165826.db2.gz	KVAUOXKLVCFQIM-MRXNPFEDSA-N	0	1	332.400	0.544	50	30		ECEAMN
COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000078602789	217083567	/nfs/dbraw/zinc/08/35/67/217083567.db2.gz	DEUUSDQRMQVQGD-HNNXBMFYSA-N	0	1	330.388	0.724	50	30		ECEAMN
N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@H](O)C2)CC1	ZINC000071896936	436026630	/nfs/dbraw/zinc/02/66/30/436026630.db2.gz	UPZRRJULQGTIGN-ROUUACIJSA-N	0	1	342.443	0.852	50	30		ECEAMN
CN1CCC(C#N)(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	ZINC000078869869	436280398	/nfs/dbraw/zinc/28/03/98/436280398.db2.gz	MQSIFOQXNYLADN-KRWDZBQOSA-N	0	1	342.443	0.992	50	30		ECEAMN
N#Cc1ccc(OCCN2CCC[C@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451529	436775059	/nfs/dbraw/zinc/77/50/59/436775059.db2.gz	MQJSXTKEQVHFDS-CQSZACIVSA-N	0	1	338.433	0.442	50	30		ECEAMN
Cc1cnn(C[C@@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)c1	ZINC000329227663	546017902	/nfs/dbraw/zinc/01/79/02/546017902.db2.gz	BHXNEPOFDGWLSP-ZDUSSCGKSA-N	0	1	334.380	0.740	50	30		ECEAMN
CN(Cc1cc(C#N)ccc1F)C(=O)CN1CCC(C(N)=O)CC1	ZINC000051186222	214081751	/nfs/dbraw/zinc/08/17/51/214081751.db2.gz	JKBNELFGTIIXGP-UHFFFAOYSA-N	0	1	332.379	0.853	50	30		ECEAMN
C=CCn1c(=O)c2c([nH]c(=NN)n2Cc2ccccc2)n(C)c1=O	ZINC000004370928	210181960	/nfs/dbraw/zinc/18/19/60/210181960.db2.gz	IZLKCQMNOZXDHW-UHFFFAOYSA-N	0	1	326.360	0.417	50	30		ECEAMN
CN1CCN([C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@H]2O)CC1	ZINC000022919607	212335159	/nfs/dbraw/zinc/33/51/59/212335159.db2.gz	CBDZSZHJTMORCD-QZTJIDSGSA-N	0	1	327.428	0.247	50	30		ECEAMN
C=C(C)Cn1c(N2CCN(CC)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000000551596	435956737	/nfs/dbraw/zinc/95/67/37/435956737.db2.gz	KAIRTCIRXCCIBG-UHFFFAOYSA-N	0	1	332.408	0.141	50	30		ECEAMN
N=C(N)NN=C1c2ccccc2N(CC(=O)Nc2ccccc2)C1=O	ZINC000006453401	435999522	/nfs/dbraw/zinc/99/95/22/435999522.db2.gz	DRHXRBZEIIRJSC-QNGOZBTKSA-N	0	1	336.355	0.859	50	30		ECEAMN
CN(C[C@@H](O)CN1CCN(C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893790	436026162	/nfs/dbraw/zinc/02/61/62/436026162.db2.gz	YFPDJNFALBWVKQ-CQSZACIVSA-N	0	1	333.392	0.511	50	30		ECEAMN
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC000222148416	436702653	/nfs/dbraw/zinc/70/26/53/436702653.db2.gz	CLAQFBBINYNFFA-CABCVRRESA-N	0	1	348.472	0.771	50	30		ECEAMN
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1	ZINC000222148416	436702655	/nfs/dbraw/zinc/70/26/55/436702655.db2.gz	CLAQFBBINYNFFA-CABCVRRESA-N	0	1	348.472	0.771	50	30		ECEAMN
Cn1c(NCc2n[nH]c(-c3ccccc3)n2)c(C#N)c(=O)n(C)c1=O	ZINC000065502317	436665273	/nfs/dbraw/zinc/66/52/73/436665273.db2.gz	SFOWPHFBEIFDJC-UHFFFAOYSA-N	0	1	337.343	0.353	50	30		ECEAMN
Cn1c(NCc2nc(-c3ccccc3)n[nH]2)c(C#N)c(=O)n(C)c1=O	ZINC000065502317	436665275	/nfs/dbraw/zinc/66/52/75/436665275.db2.gz	SFOWPHFBEIFDJC-UHFFFAOYSA-N	0	1	337.343	0.353	50	30		ECEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1	ZINC000253535494	244010352	/nfs/dbraw/zinc/01/03/52/244010352.db2.gz	XAHHJMFCZUJBNZ-RIEGTJTDSA-N	0	1	341.371	0.943	50	30		ECEAMN
N#Cc1ccc(OCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000072269222	436040343	/nfs/dbraw/zinc/04/03/43/436040343.db2.gz	SBKIFVYZGWNQMN-SJORKVTESA-N	0	1	329.400	0.995	50	30		ECEAMN
CN(C)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccsc1	ZINC000026720535	436167191	/nfs/dbraw/zinc/16/71/91/436167191.db2.gz	WHWMZIVAAXVRNY-LBPRGKRZSA-N	0	1	333.417	0.732	50	30		ECEAMN
Cc1ccc(S(=O)(=O)N/N=C2\C3CN4CC2(C)CN(C3)CC4)cc1	ZINC000095483280	436495699	/nfs/dbraw/zinc/49/56/99/436495699.db2.gz	AAUFOBGBHBMHIK-FBMGVBCBSA-N	0	1	348.472	0.897	50	30		ECEAMN
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1	ZINC000328590425	437237443	/nfs/dbraw/zinc/23/74/43/437237443.db2.gz	MJYOTIUDJHBJJM-QGZVFWFLSA-N	0	1	347.463	0.829	50	30		ECEAMN
C=CCn1c(NN=Cc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004225847	519195916	/nfs/dbraw/zinc/19/59/16/519195916.db2.gz	HBYVIQQBIDKQLK-VCHYOVAHSA-N	0	1	339.359	0.461	50	30		ECEAMN
Cc1ccc2nc(C3C(O)=CN(CCN4CCOCC4)C3=N)[nH]c2c1	ZINC000019794057	212068937	/nfs/dbraw/zinc/06/89/37/212068937.db2.gz	YNCQOWQVWOONQK-UHFFFAOYSA-N	0	1	341.415	0.716	50	30		ECEAMN
Cc1cnn(C[C@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)c1	ZINC000329227662	546017911	/nfs/dbraw/zinc/01/79/11/546017911.db2.gz	BHXNEPOFDGWLSP-CYBMUJFWSA-N	0	1	334.380	0.740	50	30		ECEAMN
C[N@H+]1CC=C2C(C(=O)[O-])=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@@H]2C1	ZINC000020477642	436110108	/nfs/dbraw/zinc/11/01/08/436110108.db2.gz	JEDHLGDJLUDLAM-HIFRSBDPSA-N	0	1	335.367	0.998	50	30		ECEAMN
CN(C[C@H](O)CN1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452875	436532228	/nfs/dbraw/zinc/53/22/28/436532228.db2.gz	MWJKIUCIHKGPBH-HNNXBMFYSA-N	0	1	333.392	0.511	50	30		ECEAMN
N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1	ZINC000110705464	436628034	/nfs/dbraw/zinc/62/80/34/436628034.db2.gz	SOLSHSWXSQJRSK-SJLPKXTDSA-N	0	1	342.443	0.710	50	30		ECEAMN
OCCC#Cc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000020994056	527531437	/nfs/dbraw/zinc/53/14/37/527531437.db2.gz	ZNVOYLJAHNIVKG-OALUTQOASA-N	0	1	330.428	0.298	50	30		ECEAMN
CCn1c(=O)c2c(nc(NN=Cc3cccnc3)n2C)n(C)c1=O	ZINC000036693392	213109427	/nfs/dbraw/zinc/10/94/27/213109427.db2.gz	OWNLEUIISUKLMD-RQZCQDPDSA-N	0	1	327.348	0.295	50	30		ECEAMN
CN1CCN(C(=O)C2(C#N)CCOCC2)C[C@@]12CCNC(=O)CC2	ZINC000092098175	218118096	/nfs/dbraw/zinc/11/80/96/218118096.db2.gz	VEYXFJVCIXARTP-QGZVFWFLSA-N	0	1	334.420	0.120	50	30		ECEAMN
CCOC(=O)c1[nH]cnc1N=C1SC(=CC(=O)OC)C(=O)N1C	ZINC000004817892	210285709	/nfs/dbraw/zinc/28/57/09/210285709.db2.gz	KXCWJECUYIERIJ-VSPHPNGLSA-N	0	1	338.345	0.836	50	30		ECEAMN
C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@@]2(C(=O)[O-])C1	ZINC000065434982	277206047	/nfs/dbraw/zinc/20/60/47/277206047.db2.gz	ADOQXUSVEXWJCF-SGTLLEGYSA-N	0	1	346.383	0.490	50	30		ECEAMN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC2(O)CCCC2)CC1	ZINC000089263702	436405695	/nfs/dbraw/zinc/40/56/95/436405695.db2.gz	IYMJFXHMSIQYCT-MRXNPFEDSA-N	0	1	336.480	0.916	50	30		ECEAMN
N#Cc1ccc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1	ZINC000048237286	436444571	/nfs/dbraw/zinc/44/45/71/436444571.db2.gz	PMIMDNMMAJLZHI-LJQANCHMSA-N	0	1	344.459	0.369	50	30		ECEAMN
C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cncn3)C[C@]2(C(=O)[O-])C1	ZINC000091594537	518872322	/nfs/dbraw/zinc/87/23/22/518872322.db2.gz	GINUYXAPMAMVEJ-CZUORRHYSA-N	0	1	333.392	0.089	50	30		ECEAMN
N#Cc1cccc(CN2CCN(C(=O)c3cnc[nH]3)C[C@@H](O)C2)c1	ZINC000097402395	219022168	/nfs/dbraw/zinc/02/21/68/219022168.db2.gz	BFJYCCGRZYRLPO-HNNXBMFYSA-N	0	1	325.372	0.600	50	30		ECEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(C)C(=O)[C@@H]32)C1=O	ZINC000006007756	435994514	/nfs/dbraw/zinc/99/45/14/435994514.db2.gz	WKEYEADUZFQINL-OAGQMLSPSA-N	0	1	325.368	0.637	50	30		ECEAMN
C=CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1	ZINC000022795741	518881356	/nfs/dbraw/zinc/88/13/56/518881356.db2.gz	WPEIJTIXJLRSMU-MRXNPFEDSA-N	0	1	348.422	0.533	50	30		ECEAMN
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(C=O)CC3)c2c1	ZINC000040267949	213286232	/nfs/dbraw/zinc/28/62/32/213286232.db2.gz	GSQLIIMGJYENBB-MRXNPFEDSA-N	0	1	342.355	0.970	50	30		ECEAMN
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CCCn1c(NN=Cc2ccncc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004137510	210128962	/nfs/dbraw/zinc/12/89/62/210128962.db2.gz	NXKLFOFHCMVASZ-RQZCQDPDSA-N	0	1	327.348	0.674	50	30		ECEAMN
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CC(C)(C)[C@H](O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069626830	435955246	/nfs/dbraw/zinc/95/52/46/435955246.db2.gz	QZPNBLNFIZBRLP-QAPCUYQASA-N	0	1	336.480	0.819	50	30		ECEAMN
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Cc1nc([C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000107056670	436607581	/nfs/dbraw/zinc/60/75/81/436607581.db2.gz	MLOXOPAPYLBDPF-ZBFHGGJFSA-N	0	1	343.387	0.798	50	30		ECEAMN
CCc1nc2n(n1)C[C@H](NC(=O)N1CCN3CCOC[C@H]3C1)CC2	ZINC000329802140	437415085	/nfs/dbraw/zinc/41/50/85/437415085.db2.gz	ZCEIQROLIZEHCP-CHWSQXEVSA-N	0	1	334.424	0.086	50	30		ECEAMN
CC(C)Cn1c(NN=Cc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004094913	519487322	/nfs/dbraw/zinc/48/73/22/519487322.db2.gz	JDENOKLLZVSQOH-QGMBQPNBSA-N	0	1	341.375	0.920	50	30		ECEAMN
CC(C)c1nc2c(n1C)CCN(CCC(=O)N1CCNC[C@H]1C#N)C2	ZINC000888097472	586349868	/nfs/dbraw/zinc/34/98/68/586349868.db2.gz	KRJZJXWJBISKRU-CQSZACIVSA-N	0	1	344.463	0.616	50	30		ECEAMN
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CN(C[C@@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104599	436538234	/nfs/dbraw/zinc/53/82/34/436538234.db2.gz	YJFOEGBARKORBD-OAHLLOKOSA-N	0	1	333.392	0.511	50	30		ECEAMN
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