smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000304485978	713791250	/nfs/dbraw/zinc/79/12/50/713791250.db2.gz	LIGGUUKPCHJHCM-UHFFFAOYSA-N	1	3	360.424	3.108	20	30		FGEDHO
COc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1C#N	ZINC000579778139	505618682	/nfs/dbraw/zinc/61/86/82/505618682.db2.gz	KJQAGXDGCZIVJG-UHFFFAOYSA-N	1	3	365.477	3.331	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1	ZINC000111496063	495082027	/nfs/dbraw/zinc/08/20/27/495082027.db2.gz	LZQNSDHWASFUOD-SFHVURJKSA-N	1	3	364.578	3.227	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1	ZINC000111496063	495082032	/nfs/dbraw/zinc/08/20/32/495082032.db2.gz	LZQNSDHWASFUOD-SFHVURJKSA-N	1	3	364.578	3.227	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1	ZINC000106328665	495445053	/nfs/dbraw/zinc/44/50/53/495445053.db2.gz	IFFDYEVOEYATBY-OAQYLSRUSA-N	1	3	372.557	3.191	20	30		FGEDHO
C[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCCC1	ZINC000183226425	495888007	/nfs/dbraw/zinc/88/80/07/495888007.db2.gz	QXMIZEFIXKBWBG-LJQANCHMSA-N	1	3	354.542	3.377	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000171699330	495994459	/nfs/dbraw/zinc/99/44/59/495994459.db2.gz	RPAHBMRHAALEJL-HXUWFJFHSA-N	1	3	358.530	3.019	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1	ZINC000369341717	499393172	/nfs/dbraw/zinc/39/31/72/499393172.db2.gz	GBSQMDNUAVKWOG-VLCRHTCISA-N	1	3	356.510	3.068	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1	ZINC000369341717	499393173	/nfs/dbraw/zinc/39/31/73/499393173.db2.gz	GBSQMDNUAVKWOG-VLCRHTCISA-N	1	3	356.510	3.068	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1ccccc1C#N	ZINC000411556597	499762811	/nfs/dbraw/zinc/76/28/11/499762811.db2.gz	YEULIXPUTBFTSJ-OALUTQOASA-N	1	3	356.514	3.377	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1	ZINC000431966648	500449768	/nfs/dbraw/zinc/44/97/68/500449768.db2.gz	WBAYWPLTMXMMFG-QUCCMNQESA-N	1	3	364.578	3.227	20	30		FGEDHO
CCCN1CCN(c2ccccc2C[NH2+]CCc2cccc(C#N)c2)CC1	ZINC000466424444	502567798	/nfs/dbraw/zinc/56/77/98/502567798.db2.gz	HZDXZKPEAKBHJD-UHFFFAOYSA-N	1	3	362.521	3.423	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1	ZINC000507460941	503302442	/nfs/dbraw/zinc/30/24/42/503302442.db2.gz	KDDNYOMYVSLOQX-ACIOBRDBSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1	ZINC000507460941	503302446	/nfs/dbraw/zinc/30/24/46/503302446.db2.gz	KDDNYOMYVSLOQX-ACIOBRDBSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1	ZINC000507460941	503302450	/nfs/dbraw/zinc/30/24/50/503302450.db2.gz	KDDNYOMYVSLOQX-ACIOBRDBSA-N	1	3	361.489	3.437	20	30		FGEDHO
C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000560532369	505117329	/nfs/dbraw/zinc/11/73/29/505117329.db2.gz	YXVNRJKRFGOZRX-KDURUIRLSA-N	1	3	354.542	3.485	20	30		FGEDHO
COCC[C@H]1CCCCN(CC#CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1	ZINC000551395930	505217363	/nfs/dbraw/zinc/21/73/63/505217363.db2.gz	WTKMKHIGXHYACE-SZPZYZBQSA-N	1	3	364.574	3.267	20	30		FGEDHO
COCC[C@H]1CCCCN(CC#CC[N@H+]2CCCC[C@@H](CCOC)C2)C1	ZINC000551395930	505217366	/nfs/dbraw/zinc/21/73/66/505217366.db2.gz	WTKMKHIGXHYACE-SZPZYZBQSA-N	1	3	364.574	3.267	20	30		FGEDHO
COCC[C@H]1CCCC[N@@H+](CC#CCN2CCCC[C@@H](CCOC)C2)C1	ZINC000551395930	505217368	/nfs/dbraw/zinc/21/73/68/505217368.db2.gz	WTKMKHIGXHYACE-SZPZYZBQSA-N	1	3	364.574	3.267	20	30		FGEDHO
COCC[C@H]1CCCC[N@H+](CC#CCN2CCCC[C@@H](CCOC)C2)C1	ZINC000551395930	505217372	/nfs/dbraw/zinc/21/73/72/505217372.db2.gz	WTKMKHIGXHYACE-SZPZYZBQSA-N	1	3	364.574	3.267	20	30		FGEDHO
N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1	ZINC000594438202	507132943	/nfs/dbraw/zinc/13/29/43/507132943.db2.gz	NDWXLQTVCQVNPK-HXUWFJFHSA-N	1	3	356.514	3.090	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000594500277	507156853	/nfs/dbraw/zinc/15/68/53/507156853.db2.gz	LJESBIKJQJAHHE-JOCHJYFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000594500277	507156861	/nfs/dbraw/zinc/15/68/61/507156861.db2.gz	LJESBIKJQJAHHE-JOCHJYFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000595074757	507379320	/nfs/dbraw/zinc/37/93/20/507379320.db2.gz	WFYZJHYXKONKJZ-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595074757	507379326	/nfs/dbraw/zinc/37/93/26/507379326.db2.gz	WFYZJHYXKONKJZ-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1	ZINC000598721602	507568077	/nfs/dbraw/zinc/56/80/77/507568077.db2.gz	VUMCWGRTDGYEHI-GOSISDBHSA-N	1	3	363.933	3.442	20	30		FGEDHO
CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)CC(C)C	ZINC000303770216	713788224	/nfs/dbraw/zinc/78/82/24/713788224.db2.gz	BQVBRQSDJPPCIJ-INIZCTEOSA-N	1	3	350.507	3.187	20	30		FGEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)O1	ZINC000067453132	494544500	/nfs/dbraw/zinc/54/45/00/494544500.db2.gz	REASGIBRKPVTAH-RTBURBONSA-N	1	3	358.530	3.015	20	30		FGEDHO
C=CCC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1	ZINC000121081647	494585769	/nfs/dbraw/zinc/58/57/69/494585769.db2.gz	BOOAWOBIXQCEFL-LEWJYISDSA-N	1	3	355.526	3.218	20	30		FGEDHO
CC1CCN(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180035987	495831220	/nfs/dbraw/zinc/83/12/20/495831220.db2.gz	OLGZXNCEFLDHMX-UHFFFAOYSA-N	1	3	351.498	3.170	20	30		FGEDHO
C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1	ZINC000171711193	496001054	/nfs/dbraw/zinc/00/10/54/496001054.db2.gz	ICYIDGNWYKRATI-GOSISDBHSA-N	1	3	364.559	3.081	20	30		FGEDHO
C=CCN1CCC(NC(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1	ZINC000171738126	496015044	/nfs/dbraw/zinc/01/50/44/496015044.db2.gz	QHPMCNGLLKZBJW-UHFFFAOYSA-N	1	3	374.529	3.179	20	30		FGEDHO
C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1	ZINC000171768813	496029584	/nfs/dbraw/zinc/02/95/84/496029584.db2.gz	PMRHHOQROJPAQU-KRWDZBQOSA-N	1	3	353.466	3.380	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000177508248	496091582	/nfs/dbraw/zinc/09/15/82/496091582.db2.gz	RABKUBGDIQYTKP-RTBURBONSA-N	1	3	371.525	3.148	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000177513132	496092452	/nfs/dbraw/zinc/09/24/52/496092452.db2.gz	QJXUCKWVXAMJGV-KDURUIRLSA-N	1	3	371.525	3.148	20	30		FGEDHO
CC1CCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181417837	496386933	/nfs/dbraw/zinc/38/69/33/496386933.db2.gz	HOGGYCHCIVKEGU-UHFFFAOYSA-N	1	3	354.542	3.234	20	30		FGEDHO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181569571	496450090	/nfs/dbraw/zinc/45/00/90/496450090.db2.gz	PMIXGFBXBCWIJD-VAMGGRTRSA-N	1	3	368.569	3.479	20	30		FGEDHO
COc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C#N	ZINC000569112571	505855485	/nfs/dbraw/zinc/85/54/85/505855485.db2.gz	ICTNPBZHPYJWQZ-INIZCTEOSA-N	1	3	353.466	3.358	20	30		FGEDHO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21	ZINC000330204154	498061333	/nfs/dbraw/zinc/06/13/33/498061333.db2.gz	BJBMFWJRJYKVIT-SQNIBIBYSA-N	1	3	357.498	3.319	20	30		FGEDHO
C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377407935	499687879	/nfs/dbraw/zinc/68/78/79/499687879.db2.gz	CTDMVUCMINCBHD-YLJYHZDGSA-N	1	3	359.477	3.206	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccccc1C#N	ZINC000411556598	499762702	/nfs/dbraw/zinc/76/27/02/499762702.db2.gz	YEULIXPUTBFTSJ-RBUKOAKNSA-N	1	3	356.514	3.377	20	30		FGEDHO
COc1cc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000442883123	500639740	/nfs/dbraw/zinc/63/97/40/500639740.db2.gz	UIJAGSCJQJTROB-ROUUACIJSA-N	1	3	371.525	3.278	20	30		FGEDHO
C[NH+](C)CCOc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccn1	ZINC000481680317	501847403	/nfs/dbraw/zinc/84/74/03/501847403.db2.gz	YPDYXINPXMUEEZ-NRFANRHFSA-N	1	3	364.493	3.451	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C	ZINC000520201299	504434046	/nfs/dbraw/zinc/43/40/46/504434046.db2.gz	IVDOILGXSZCARB-IBGZPJMESA-N	1	3	364.578	3.201	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(C)C	ZINC000520201299	504434050	/nfs/dbraw/zinc/43/40/50/504434050.db2.gz	IVDOILGXSZCARB-IBGZPJMESA-N	1	3	364.578	3.201	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594440527	507133140	/nfs/dbraw/zinc/13/31/40/507133140.db2.gz	DWDLYFUOPKQPJM-YLJYHZDGSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594440527	507133144	/nfs/dbraw/zinc/13/31/44/507133144.db2.gz	DWDLYFUOPKQPJM-YLJYHZDGSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1	ZINC000594441236	507135054	/nfs/dbraw/zinc/13/50/54/507135054.db2.gz	PMVRJAATWDEDAI-OPYAIIAOSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1	ZINC000594441311	507135229	/nfs/dbraw/zinc/13/52/29/507135229.db2.gz	QTBHQMRQUQOIKT-OAQYLSRUSA-N	1	3	370.541	3.479	20	30		FGEDHO
C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1	ZINC000594441311	507135238	/nfs/dbraw/zinc/13/52/38/507135238.db2.gz	QTBHQMRQUQOIKT-OAQYLSRUSA-N	1	3	370.541	3.479	20	30		FGEDHO
CN1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)(N2CCCCC2)CC1	ZINC000594929938	507319139	/nfs/dbraw/zinc/31/91/39/507319139.db2.gz	QDBFHGZAGWZBLF-UHFFFAOYSA-N	1	3	366.553	3.282	20	30		FGEDHO
N#CCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1	ZINC000136570464	495388101	/nfs/dbraw/zinc/38/81/01/495388101.db2.gz	WOPAGOFXFUFQTC-FGZHOGPDSA-N	1	3	371.525	3.227	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1	ZINC000106035467	495405739	/nfs/dbraw/zinc/40/57/39/495405739.db2.gz	MHRLILGXDYHSJF-UHFFFAOYSA-N	1	3	355.526	3.441	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1	ZINC000106035467	495405743	/nfs/dbraw/zinc/40/57/43/495405743.db2.gz	MHRLILGXDYHSJF-UHFFFAOYSA-N	1	3	355.526	3.441	20	30		FGEDHO
C=C(Cl)COc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000151380431	495821277	/nfs/dbraw/zinc/82/12/77/495821277.db2.gz	GQUNCKGOWKBGRD-MRXNPFEDSA-N	1	3	352.906	3.315	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1	ZINC000174581683	496019863	/nfs/dbraw/zinc/01/98/63/496019863.db2.gz	PMDCJNTWNMRSLL-LJQANCHMSA-N	1	3	370.541	3.017	20	30		FGEDHO
C=CC[NH+]1CCC(NCc2ccc(OC)c(OCc3cccnc3)c2)CC1	ZINC000237323545	497220236	/nfs/dbraw/zinc/22/02/36/497220236.db2.gz	PHNBIFCGAPIBOU-UHFFFAOYSA-N	1	3	367.493	3.409	20	30		FGEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC[C@H](O)c1ccc(C#N)cc1	ZINC000189949832	497303960	/nfs/dbraw/zinc/30/39/60/497303960.db2.gz	FZXNIYWCHOHHFU-RSUKUSEWSA-N	1	3	363.505	3.338	20	30		FGEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC[C@H](O)c1ccc(C#N)cc1	ZINC000189949832	497303964	/nfs/dbraw/zinc/30/39/64/497303964.db2.gz	FZXNIYWCHOHHFU-RSUKUSEWSA-N	1	3	363.505	3.338	20	30		FGEDHO
Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)c1	ZINC000267422539	497548252	/nfs/dbraw/zinc/54/82/52/497548252.db2.gz	LBSZXGLLFLDENV-UHFFFAOYSA-N	1	3	366.509	3.187	20	30		FGEDHO
COc1cccc(NC(=[NH2+])NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1	ZINC000262426174	497554534	/nfs/dbraw/zinc/55/45/34/497554534.db2.gz	CQWPPOQVOTXDNX-UHFFFAOYSA-N	1	3	370.419	3.227	20	30		FGEDHO
C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000280603038	497823226	/nfs/dbraw/zinc/82/32/26/497823226.db2.gz	XGBXERIFZMBZID-PGRDOPGGSA-N	1	3	374.488	3.267	20	30		FGEDHO
C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000280603038	497823228	/nfs/dbraw/zinc/82/32/28/497823228.db2.gz	XGBXERIFZMBZID-PGRDOPGGSA-N	1	3	374.488	3.267	20	30		FGEDHO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000280615323	497826836	/nfs/dbraw/zinc/82/68/36/497826836.db2.gz	KMGOJSWJAHJTRO-KNQAVFIVSA-N	1	3	357.542	3.288	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000280958991	497964687	/nfs/dbraw/zinc/96/46/87/497964687.db2.gz	YBJUMWUWZBHTFU-QFIPXVFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342839	499393511	/nfs/dbraw/zinc/39/35/11/499393511.db2.gz	KSJDLWGQZUNEAS-COPCDDAFSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342839	499393512	/nfs/dbraw/zinc/39/35/12/499393512.db2.gz	KSJDLWGQZUNEAS-COPCDDAFSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1	ZINC000377705918	499722958	/nfs/dbraw/zinc/72/29/58/499722958.db2.gz	ZYRPESBAIPLIHL-QGZVFWFLSA-N	1	3	350.466	3.473	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1	ZINC000377705918	499722959	/nfs/dbraw/zinc/72/29/59/499722959.db2.gz	ZYRPESBAIPLIHL-QGZVFWFLSA-N	1	3	350.466	3.473	20	30		FGEDHO
C=CCOc1cccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1	ZINC000421366048	500029068	/nfs/dbraw/zinc/02/90/68/500029068.db2.gz	CDCWVGITUMPWIQ-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1cccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1	ZINC000421366048	500029070	/nfs/dbraw/zinc/02/90/70/500029070.db2.gz	CDCWVGITUMPWIQ-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1cccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c1	ZINC000421366048	500029072	/nfs/dbraw/zinc/02/90/72/500029072.db2.gz	CDCWVGITUMPWIQ-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000417539098	500100972	/nfs/dbraw/zinc/10/09/72/500100972.db2.gz	OBWPGNVGZCABMA-OAQYLSRUSA-N	1	3	366.509	3.179	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1	ZINC000431966646	500449703	/nfs/dbraw/zinc/44/97/03/500449703.db2.gz	WBAYWPLTMXMMFG-AZUAARDMSA-N	1	3	364.578	3.227	20	30		FGEDHO
CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1	ZINC000447540507	500620533	/nfs/dbraw/zinc/62/05/33/500620533.db2.gz	JIAQWCGPSJWRAP-VABKMULXSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1	ZINC000447540507	500620537	/nfs/dbraw/zinc/62/05/37/500620537.db2.gz	JIAQWCGPSJWRAP-VABKMULXSA-N	1	3	363.505	3.482	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CCN(C)[C@@H](C)C2)n1	ZINC000596148053	506279984	/nfs/dbraw/zinc/27/99/84/506279984.db2.gz	YRAJCWNPSCLAAS-XMTFNYHQSA-N	1	3	370.545	3.051	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CCN(C)[C@@H](C)C2)n1	ZINC000596148053	506279988	/nfs/dbraw/zinc/27/99/88/506279988.db2.gz	YRAJCWNPSCLAAS-XMTFNYHQSA-N	1	3	370.545	3.051	20	30		FGEDHO
C[N@H+](CCOc1ccc(C#N)cc1)CC1CCN(c2ccncc2)CC1	ZINC000501081179	502931307	/nfs/dbraw/zinc/93/13/07/502931307.db2.gz	PELAMZGOPZHFKG-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
C[N@@H+](CCOc1ccc(C#N)cc1)CC1CCN(c2ccncc2)CC1	ZINC000501081179	502931309	/nfs/dbraw/zinc/93/13/09/502931309.db2.gz	PELAMZGOPZHFKG-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000594440883	507134575	/nfs/dbraw/zinc/13/45/75/507134575.db2.gz	IXBBTELOOZLJHM-MISYRCLQSA-N	1	3	356.514	3.082	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000594440883	507134579	/nfs/dbraw/zinc/13/45/79/507134579.db2.gz	IXBBTELOOZLJHM-MISYRCLQSA-N	1	3	356.514	3.082	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1	ZINC000594440981	507135072	/nfs/dbraw/zinc/13/50/72/507135072.db2.gz	KIPPFECLZNSZIJ-UEXGIBASSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1	ZINC000594440981	507135080	/nfs/dbraw/zinc/13/50/80/507135080.db2.gz	KIPPFECLZNSZIJ-UEXGIBASSA-N	1	3	370.541	3.192	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1	ZINC000598721603	507567953	/nfs/dbraw/zinc/56/79/53/507567953.db2.gz	VUMCWGRTDGYEHI-SFHVURJKSA-N	1	3	363.933	3.442	20	30		FGEDHO
CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1	ZINC000611391164	507659143	/nfs/dbraw/zinc/65/91/43/507659143.db2.gz	XVXJKKUFDFGXSM-DEOSSOPVSA-N	1	3	374.532	3.473	20	30		FGEDHO
N#Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1	ZINC000595896732	507732197	/nfs/dbraw/zinc/73/21/97/507732197.db2.gz	WKLZREBTHCDWFC-LZLYRXPVSA-N	1	3	367.415	3.295	20	30		FGEDHO
C=CCOc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1	ZINC000077202593	494032806	/nfs/dbraw/zinc/03/28/06/494032806.db2.gz	UJIGKZPXDQIHOX-LJQANCHMSA-N	1	3	374.529	3.131	20	30		FGEDHO
C=CCOc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1	ZINC000077202593	494032808	/nfs/dbraw/zinc/03/28/08/494032808.db2.gz	UJIGKZPXDQIHOX-LJQANCHMSA-N	1	3	374.529	3.131	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2	ZINC000574611990	505813920	/nfs/dbraw/zinc/81/39/20/505813920.db2.gz	RFGBGHPOHKNAFB-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2	ZINC000574611990	505813925	/nfs/dbraw/zinc/81/39/25/505813925.db2.gz	RFGBGHPOHKNAFB-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000171699327	495994390	/nfs/dbraw/zinc/99/43/90/495994390.db2.gz	RPAHBMRHAALEJL-FQEVSTJZSA-N	1	3	358.530	3.019	20	30		FGEDHO
C[C@H]1CN(CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000177488912	496083763	/nfs/dbraw/zinc/08/37/63/496083763.db2.gz	RUYCGUNHOXUFDV-OALUTQOASA-N	1	3	371.525	3.148	20	30		FGEDHO
CCc1cccc(NC(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)c1	ZINC000178567075	496501073	/nfs/dbraw/zinc/50/10/73/496501073.db2.gz	OFFWMFUCSYUIHQ-UHFFFAOYSA-N	1	3	366.509	3.133	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1	ZINC000279551869	497470324	/nfs/dbraw/zinc/47/03/24/497470324.db2.gz	OBAYJEJFNWISLY-FQEVSTJZSA-N	1	3	364.493	3.011	20	30		FGEDHO
CC[NH+](CC)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280753723	497884777	/nfs/dbraw/zinc/88/47/77/497884777.db2.gz	IDSQDOFHSXWJLG-JOCHJYFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1	ZINC000280863886	497926912	/nfs/dbraw/zinc/92/69/12/497926912.db2.gz	QTYLRSHGDVUMNK-QFIPXVFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912056	497947577	/nfs/dbraw/zinc/94/75/77/497947577.db2.gz	UNYFSCMHYIVACG-PXNSSMCTSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912056	497947582	/nfs/dbraw/zinc/94/75/82/497947582.db2.gz	UNYFSCMHYIVACG-PXNSSMCTSA-N	1	3	352.482	3.011	20	30		FGEDHO
CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000582154070	506145206	/nfs/dbraw/zinc/14/52/06/506145206.db2.gz	ZZYVQBOYLITBHQ-UHFFFAOYSA-N	1	3	368.447	3.035	20	30		FGEDHO
C=C(C)[C@@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000423049700	500335657	/nfs/dbraw/zinc/33/56/57/500335657.db2.gz	KGIOCFRIFWQYHQ-RDTXWAMCSA-N	1	3	366.452	3.493	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000611622475	506232990	/nfs/dbraw/zinc/23/29/90/506232990.db2.gz	LHLTUARJGOYJNC-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000611622475	506232996	/nfs/dbraw/zinc/23/29/96/506232996.db2.gz	LHLTUARJGOYJNC-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1	ZINC000596058103	506233026	/nfs/dbraw/zinc/23/30/26/506233026.db2.gz	CUCPFRQQSYRPLM-QFIPXVFZSA-N	1	3	366.553	3.234	20	30		FGEDHO
CN1CCCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000598993371	506266692	/nfs/dbraw/zinc/26/66/92/506266692.db2.gz	ANQIWJFYSLZSMP-GOSISDBHSA-N	1	3	351.498	3.285	20	30		FGEDHO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959802	502183790	/nfs/dbraw/zinc/18/37/90/502183790.db2.gz	ZGCMJKNOCQZTEZ-UXHICEINSA-N	1	3	352.482	3.011	20	30		FGEDHO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959802	502183791	/nfs/dbraw/zinc/18/37/91/502183791.db2.gz	ZGCMJKNOCQZTEZ-UXHICEINSA-N	1	3	352.482	3.011	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549927	502810403	/nfs/dbraw/zinc/81/04/03/502810403.db2.gz	RORHPZQPCXSQHA-GDBMZVCRSA-N	1	3	353.388	3.059	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549927	502810405	/nfs/dbraw/zinc/81/04/05/502810405.db2.gz	RORHPZQPCXSQHA-GDBMZVCRSA-N	1	3	353.388	3.059	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000489677721	503008782	/nfs/dbraw/zinc/00/87/82/503008782.db2.gz	LOTVOFGSKMDLQI-HXUWFJFHSA-N	1	3	369.553	3.420	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000489677721	503008786	/nfs/dbraw/zinc/00/87/86/503008786.db2.gz	LOTVOFGSKMDLQI-HXUWFJFHSA-N	1	3	369.553	3.420	20	30		FGEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC[N@H+](C)C1CCCCC1	ZINC000548717103	504539616	/nfs/dbraw/zinc/53/96/16/504539616.db2.gz	VETORADBSMGWPY-UHFFFAOYSA-N	1	3	370.541	3.103	20	30		FGEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC[N@@H+](C)C1CCCCC1	ZINC000548717103	504539621	/nfs/dbraw/zinc/53/96/21/504539621.db2.gz	VETORADBSMGWPY-UHFFFAOYSA-N	1	3	370.541	3.103	20	30		FGEDHO
C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000560532370	505117391	/nfs/dbraw/zinc/11/73/91/505117391.db2.gz	YXVNRJKRFGOZRX-OALUTQOASA-N	1	3	354.542	3.485	20	30		FGEDHO
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H](N)CCCC#N)cc1	ZINC000583142439	506613171	/nfs/dbraw/zinc/61/31/71/506613171.db2.gz	WIUHBVRWEFYKCB-OAQYLSRUSA-N	1	3	364.493	3.053	20	30		FGEDHO
CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(CN(C)C)cc1	ZINC000609029873	506764812	/nfs/dbraw/zinc/76/48/12/506764812.db2.gz	ZRLOXCZRVOMKSN-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(CN(C)C)cc1	ZINC000609029873	506764821	/nfs/dbraw/zinc/76/48/21/506764821.db2.gz	ZRLOXCZRVOMKSN-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
CN(c1ccccc1C[NH2+]CCc1ccc(C#N)cc1)C1CCN(C)CC1	ZINC000594955643	507331102	/nfs/dbraw/zinc/33/11/02/507331102.db2.gz	QTXYQZCRVCAHGS-UHFFFAOYSA-N	1	3	362.521	3.421	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000595074755	507379694	/nfs/dbraw/zinc/37/96/94/507379694.db2.gz	WFYZJHYXKONKJZ-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000595074755	507379700	/nfs/dbraw/zinc/37/97/00/507379700.db2.gz	WFYZJHYXKONKJZ-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#CC1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1	ZINC000602518942	507735198	/nfs/dbraw/zinc/73/51/98/507735198.db2.gz	AMAMXEKXXVABSY-UHFFFAOYSA-N	1	3	354.542	3.256	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000602535769	507740762	/nfs/dbraw/zinc/74/07/62/507740762.db2.gz	SEHSHHSJFDMYBP-SFHVURJKSA-N	1	3	359.514	3.206	20	30		FGEDHO
CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCSCC#N)C2)ccn1	ZINC000856600247	732040749	/nfs/dbraw/zinc/04/07/49/732040749.db2.gz	RVRSAVSBFYSYME-IBGZPJMESA-N	1	3	362.543	3.022	20	30		FGEDHO
CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCSCC#N)C2)ccn1	ZINC000856600247	732040752	/nfs/dbraw/zinc/04/07/52/732040752.db2.gz	RVRSAVSBFYSYME-IBGZPJMESA-N	1	3	362.543	3.022	20	30		FGEDHO
COCC[N@H+](C)CCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1	ZINC000122058296	494916881	/nfs/dbraw/zinc/91/68/81/494916881.db2.gz	RYCKCFAIXOZFOO-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1	ZINC000122058296	494916886	/nfs/dbraw/zinc/91/68/86/494916886.db2.gz	RYCKCFAIXOZFOO-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NCc2ccccc2CN(C)C(C)C)cc1OC	ZINC000104162935	495270221	/nfs/dbraw/zinc/27/02/21/495270221.db2.gz	MLZVBWGKBOIPJR-UHFFFAOYSA-N	1	3	370.497	3.471	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NC[C@H]2CCCN(Cc3cccs3)C2)cc1	ZINC000104180747	495270733	/nfs/dbraw/zinc/27/07/33/495270733.db2.gz	WGMMZBMSERDIFA-OAHLLOKOSA-N	1	3	358.511	3.396	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1	ZINC000106034055	495405296	/nfs/dbraw/zinc/40/52/96/495405296.db2.gz	ZCPPNIBPAKNDGR-IBGZPJMESA-N	1	3	373.516	3.194	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1	ZINC000106330421	495445446	/nfs/dbraw/zinc/44/54/46/495445446.db2.gz	AUXZXWIGLCVSON-IBGZPJMESA-N	1	3	352.567	3.083	20	30		FGEDHO
C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1	ZINC000185811522	495734220	/nfs/dbraw/zinc/73/42/20/495734220.db2.gz	ZKLKWVIXWCHTQH-ICSRJNTNSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1	ZINC000185811522	495734226	/nfs/dbraw/zinc/73/42/26/495734226.db2.gz	ZKLKWVIXWCHTQH-ICSRJNTNSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CCCCC1	ZINC000180068817	495843833	/nfs/dbraw/zinc/84/38/33/495843833.db2.gz	CWIHWEGPWYORTM-KRWDZBQOSA-N	1	3	351.498	3.170	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2	ZINC000574611992	505814022	/nfs/dbraw/zinc/81/40/22/505814022.db2.gz	RFGBGHPOHKNAFB-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2	ZINC000574611992	505814025	/nfs/dbraw/zinc/81/40/25/505814025.db2.gz	RFGBGHPOHKNAFB-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
CC(C)CN1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000182045571	496647909	/nfs/dbraw/zinc/64/79/09/496647909.db2.gz	KNXYQGCKCSKFCK-QFIPXVFZSA-N	1	3	368.569	3.480	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1	ZINC000572148023	505901139	/nfs/dbraw/zinc/90/11/39/505901139.db2.gz	NJEZAXQAMOMVIR-ONCXSQPRSA-N	1	3	356.489	3.176	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCCCCC[NH+]2CCCCC2)cc1	ZINC000280648992	497842320	/nfs/dbraw/zinc/84/23/20/497842320.db2.gz	ZZLPIMVUSWESFE-FQEVSTJZSA-N	1	3	352.482	3.013	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1	ZINC000329749703	497888167	/nfs/dbraw/zinc/88/81/67/497888167.db2.gz	UMJZWHLTCAWQHK-SJLPKXTDSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1	ZINC000329749703	497888173	/nfs/dbraw/zinc/88/81/73/497888173.db2.gz	UMJZWHLTCAWQHK-SJLPKXTDSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1	ZINC000329749703	497888184	/nfs/dbraw/zinc/88/81/84/497888184.db2.gz	UMJZWHLTCAWQHK-SJLPKXTDSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1	ZINC000329749703	497888191	/nfs/dbraw/zinc/88/81/91/497888191.db2.gz	UMJZWHLTCAWQHK-SJLPKXTDSA-N	1	3	373.545	3.158	20	30		FGEDHO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280856076	497924620	/nfs/dbraw/zinc/92/46/20/497924620.db2.gz	KODOISOPQHRTJP-JOCHJYFZSA-N	1	3	374.488	3.351	20	30		FGEDHO
N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000312856527	498763697	/nfs/dbraw/zinc/76/36/97/498763697.db2.gz	GYFASLGFVKNTNM-FCHUYYIVSA-N	1	3	361.489	3.391	20	30		FGEDHO
N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000312856527	498763704	/nfs/dbraw/zinc/76/37/04/498763704.db2.gz	GYFASLGFVKNTNM-FCHUYYIVSA-N	1	3	361.489	3.391	20	30		FGEDHO
C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCN(C2CCOCC2)CC1	ZINC000367430287	499197988	/nfs/dbraw/zinc/19/79/88/499197988.db2.gz	KFSYOPITEAAHGU-UHFFFAOYSA-N	1	3	371.525	3.444	20	30		FGEDHO
C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCN(C2CCOCC2)CC1	ZINC000367430287	499197989	/nfs/dbraw/zinc/19/79/89/499197989.db2.gz	KFSYOPITEAAHGU-UHFFFAOYSA-N	1	3	371.525	3.444	20	30		FGEDHO
N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)n2c1	ZINC000369485537	499407998	/nfs/dbraw/zinc/40/79/98/499407998.db2.gz	HZXODJWJFJPROI-FQEVSTJZSA-N	1	3	359.477	3.208	20	30		FGEDHO
COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1OCCCC#N	ZINC000375473357	499523480	/nfs/dbraw/zinc/52/34/80/499523480.db2.gz	NNBHBVCSCVBXFH-UHFFFAOYSA-N	1	3	357.498	3.438	20	30		FGEDHO
COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1OCCCC#N	ZINC000375473357	499523481	/nfs/dbraw/zinc/52/34/81/499523481.db2.gz	NNBHBVCSCVBXFH-UHFFFAOYSA-N	1	3	357.498	3.438	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2	ZINC000414309917	499776542	/nfs/dbraw/zinc/77/65/42/499776542.db2.gz	RYAJTOMYAQCVQJ-QFIPXVFZSA-N	1	3	361.489	3.162	20	30		FGEDHO
C[C@@H](CCC#N)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2	ZINC000602677996	506258489	/nfs/dbraw/zinc/25/84/89/506258489.db2.gz	ZAMXJNYAKMTOBE-FPOVZHCZSA-N	1	3	355.526	3.445	20	30		FGEDHO
Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593323599	506539911	/nfs/dbraw/zinc/53/99/11/506539911.db2.gz	QWKUQDYXFYFRKY-INIZCTEOSA-N	1	3	363.509	3.036	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594441529	507135999	/nfs/dbraw/zinc/13/59/99/507135999.db2.gz	SJMUTTFEHKFXGB-PXNSSMCTSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594441529	507136003	/nfs/dbraw/zinc/13/60/03/507136003.db2.gz	SJMUTTFEHKFXGB-PXNSSMCTSA-N	1	3	356.514	3.088	20	30		FGEDHO
CC(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000584139322	507172999	/nfs/dbraw/zinc/17/29/99/507172999.db2.gz	FPMDVGNAOAKDRY-CYBMUJFWSA-N	1	3	353.388	3.288	20	30		FGEDHO
CC(C#N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000584139322	507173008	/nfs/dbraw/zinc/17/30/08/507173008.db2.gz	FPMDVGNAOAKDRY-CYBMUJFWSA-N	1	3	353.388	3.288	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000594974191	507338231	/nfs/dbraw/zinc/33/82/31/507338231.db2.gz	HMYMRCQIIMIAJJ-QFIPXVFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1	ZINC000594974191	507338240	/nfs/dbraw/zinc/33/82/40/507338240.db2.gz	HMYMRCQIIMIAJJ-QFIPXVFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000595074758	507379202	/nfs/dbraw/zinc/37/92/02/507379202.db2.gz	WFYZJHYXKONKJZ-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595074758	507379209	/nfs/dbraw/zinc/37/92/09/507379209.db2.gz	WFYZJHYXKONKJZ-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C)C1	ZINC000303872216	713789565	/nfs/dbraw/zinc/78/95/65/713789565.db2.gz	BWWYNFIFBBYTGJ-CHWSQXEVSA-N	1	3	358.408	3.432	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC[C@@H](C)C1	ZINC000305240051	713792994	/nfs/dbraw/zinc/79/29/94/713792994.db2.gz	QRBJBMKSFIRDAX-CHWSQXEVSA-N	1	3	358.408	3.432	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C#N)s1	ZINC000374286659	713910487	/nfs/dbraw/zinc/91/04/87/713910487.db2.gz	YYAOGXQWMQNDEK-UHFFFAOYSA-N	1	3	360.571	3.248	20	30		FGEDHO
C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC000961370430	762747265	/nfs/dbraw/zinc/74/72/65/762747265.db2.gz	CPPBACOKTXRKJX-BHIYHBOVSA-N	1	3	367.965	3.030	20	30		FGEDHO
C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1	ZINC000961370430	762747273	/nfs/dbraw/zinc/74/72/73/762747273.db2.gz	CPPBACOKTXRKJX-BHIYHBOVSA-N	1	3	367.965	3.030	20	30		FGEDHO
N#Cc1ccc(NC(=O)CCN2CCC(C[NH+]3CCCCCC3)CC2)cc1	ZINC000052713766	494055931	/nfs/dbraw/zinc/05/59/31/494055931.db2.gz	RXXKKVXXYZNBAB-UHFFFAOYSA-N	1	3	368.525	3.475	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1	ZINC000106255907	495439861	/nfs/dbraw/zinc/43/98/61/495439861.db2.gz	NMIAJOWHOZRQLY-UHFFFAOYSA-N	1	3	372.557	3.368	20	30		FGEDHO
COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000185694894	495684244	/nfs/dbraw/zinc/68/42/44/495684244.db2.gz	LMLQPQVGJBTMRD-AEFFLSMTSA-N	1	3	357.498	3.188	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)c(F)c1	ZINC000160136278	495892770	/nfs/dbraw/zinc/89/27/70/495892770.db2.gz	LMZNCVJQPUINDX-LJQANCHMSA-N	1	3	356.489	3.130	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000163273437	496491324	/nfs/dbraw/zinc/49/13/24/496491324.db2.gz	NIYGANLYMPKLTM-UHFFFAOYSA-N	1	3	369.553	3.445	20	30		FGEDHO
CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280930073	497954524	/nfs/dbraw/zinc/95/45/24/497954524.db2.gz	VXMIHQUOASXABE-JOCHJYFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280930073	497954531	/nfs/dbraw/zinc/95/45/31/497954531.db2.gz	VXMIHQUOASXABE-JOCHJYFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)cc1	ZINC000369627135	499428110	/nfs/dbraw/zinc/42/81/10/499428110.db2.gz	DKYGFXAIPFTCBH-UXHICEINSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000369627135	499428112	/nfs/dbraw/zinc/42/81/12/499428112.db2.gz	DKYGFXAIPFTCBH-UXHICEINSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1	ZINC000373451558	499470598	/nfs/dbraw/zinc/47/05/98/499470598.db2.gz	CPSFYQKVQLLMCE-SFTDATJTSA-N	1	3	364.493	3.108	20	30		FGEDHO
Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422980671	500326875	/nfs/dbraw/zinc/32/68/75/500326875.db2.gz	QKXDVAXLDFJRFG-MAUKXSAKSA-N	1	3	367.472	3.179	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C	ZINC000448462147	500761884	/nfs/dbraw/zinc/76/18/84/500761884.db2.gz	QXCCCJHOYNKWAE-HSALFYBXSA-N	1	3	364.578	3.057	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(C)C	ZINC000448462147	500761887	/nfs/dbraw/zinc/76/18/87/500761887.db2.gz	QXCCCJHOYNKWAE-HSALFYBXSA-N	1	3	364.578	3.057	20	30		FGEDHO
CCN1CCN(CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000481916253	501917506	/nfs/dbraw/zinc/91/75/06/501917506.db2.gz	NHYJBGWRVSTMFV-QFIPXVFZSA-N	1	3	354.542	3.333	20	30		FGEDHO
CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000532589596	504704214	/nfs/dbraw/zinc/70/42/14/504704214.db2.gz	YTXSKISQHKEKOZ-RHSMWYFYSA-N	1	3	362.905	3.345	20	30		FGEDHO
CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000532589596	504704218	/nfs/dbraw/zinc/70/42/18/504704218.db2.gz	YTXSKISQHKEKOZ-RHSMWYFYSA-N	1	3	362.905	3.345	20	30		FGEDHO
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000558788588	505492566	/nfs/dbraw/zinc/49/25/66/505492566.db2.gz	VRGQDMUTWOPYJZ-FDFHNCONSA-N	1	3	353.510	3.293	20	30		FGEDHO
C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCCN(C)C)cc1	ZINC000090107095	494443514	/nfs/dbraw/zinc/44/35/14/494443514.db2.gz	CXFNXJWOFXDGRT-QGZVFWFLSA-N	1	3	353.466	3.228	20	30		FGEDHO
C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCC[N@H+]1C	ZINC000125322390	495425892	/nfs/dbraw/zinc/42/58/92/495425892.db2.gz	BPNNSEPCFWJMCM-QGZVFWFLSA-N	1	3	363.575	3.069	20	30		FGEDHO
C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H]1CCC[N@@H+]1C	ZINC000125322390	495425895	/nfs/dbraw/zinc/42/58/95/495425895.db2.gz	BPNNSEPCFWJMCM-QGZVFWFLSA-N	1	3	363.575	3.069	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000106265769	495441022	/nfs/dbraw/zinc/44/10/22/495441022.db2.gz	WNBGQQXKKHDJOP-HDICACEKSA-N	1	3	364.578	3.083	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000106265769	495441027	/nfs/dbraw/zinc/44/10/27/495441027.db2.gz	WNBGQQXKKHDJOP-HDICACEKSA-N	1	3	364.578	3.083	20	30		FGEDHO
CC1CC[NH+](C2CCC(NCc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000131082099	495489886	/nfs/dbraw/zinc/48/98/86/495489886.db2.gz	BTSSVLYQFIRNSA-UHFFFAOYSA-N	1	3	351.498	3.339	20	30		FGEDHO
Cn1cc(CNCc2cccc(C[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1	ZINC000180044682	495835302	/nfs/dbraw/zinc/83/53/02/495835302.db2.gz	UKTDUYSMKNXHMG-UHFFFAOYSA-N	1	3	359.477	3.310	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1	ZINC000180274769	495932121	/nfs/dbraw/zinc/93/21/21/495932121.db2.gz	VYMOTAHNHJPVQW-KRWDZBQOSA-N	1	3	350.466	3.379	20	30		FGEDHO
N#Cc1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)nc1	ZINC000161645426	496214292	/nfs/dbraw/zinc/21/42/92/496214292.db2.gz	HUETVGFZSQGKIC-UHFFFAOYSA-N	1	3	367.541	3.309	20	30		FGEDHO
N#Cc1ccc(N2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)nc1	ZINC000161645426	496214297	/nfs/dbraw/zinc/21/42/97/496214297.db2.gz	HUETVGFZSQGKIC-UHFFFAOYSA-N	1	3	367.541	3.309	20	30		FGEDHO
C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OCCOC)c(OC)c2)CC1	ZINC000152989682	496316502	/nfs/dbraw/zinc/31/65/02/496316502.db2.gz	UUCYJANTWASHKL-QGZVFWFLSA-N	1	3	362.514	3.412	20	30		FGEDHO
C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1)C1CCOCC1	ZINC000248946950	497139312	/nfs/dbraw/zinc/13/93/12/497139312.db2.gz	ZKLKWVIXWCHTQH-UYAOXDASSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1)C1CCOCC1	ZINC000248946950	497139317	/nfs/dbraw/zinc/13/93/17/497139317.db2.gz	ZKLKWVIXWCHTQH-UYAOXDASSA-N	1	3	371.525	3.348	20	30		FGEDHO
CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1	ZINC000189790416	497244920	/nfs/dbraw/zinc/24/49/20/497244920.db2.gz	XHBLVMKBGSVUEE-SFHVURJKSA-N	1	3	370.541	3.179	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000280958990	497965183	/nfs/dbraw/zinc/96/51/83/497965183.db2.gz	YBJUMWUWZBHTFU-JOCHJYFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000312856532	498762858	/nfs/dbraw/zinc/76/28/58/498762858.db2.gz	GYFASLGFVKNTNM-VXKWHMMOSA-N	1	3	361.489	3.391	20	30		FGEDHO
N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000312856532	498762863	/nfs/dbraw/zinc/76/28/63/498762863.db2.gz	GYFASLGFVKNTNM-VXKWHMMOSA-N	1	3	361.489	3.391	20	30		FGEDHO
CN(CCC#N)c1ccc(CNCc2ccccc2OCC[NH+](C)C)cc1	ZINC000299349012	499031673	/nfs/dbraw/zinc/03/16/73/499031673.db2.gz	XSCYCQHUCCZTRL-UHFFFAOYSA-N	1	3	366.509	3.267	20	30		FGEDHO
COc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C#N	ZINC000284174239	499062213	/nfs/dbraw/zinc/06/22/13/499062213.db2.gz	XEYWZYKWCUDIMZ-UHFFFAOYSA-N	1	3	365.477	3.330	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1	ZINC000371497098	499334430	/nfs/dbraw/zinc/33/44/30/499334430.db2.gz	IYSIFPMHDDIHNH-KNQAVFIVSA-N	1	3	367.537	3.016	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1	ZINC000371497098	499334432	/nfs/dbraw/zinc/33/44/32/499334432.db2.gz	IYSIFPMHDDIHNH-KNQAVFIVSA-N	1	3	367.537	3.016	20	30		FGEDHO
N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCN(Cc4ccccc4)C3)n2c1	ZINC000369485538	499407846	/nfs/dbraw/zinc/40/78/46/499407846.db2.gz	HZXODJWJFJPROI-HXUWFJFHSA-N	1	3	359.477	3.208	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000373456052	499470884	/nfs/dbraw/zinc/47/08/84/499470884.db2.gz	RUGBVLTUFWOOEG-WOJBJXKFSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000373456052	499470885	/nfs/dbraw/zinc/47/08/85/499470885.db2.gz	RUGBVLTUFWOOEG-WOJBJXKFSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@@H](CCC#N)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2	ZINC000602677997	506258177	/nfs/dbraw/zinc/25/81/77/506258177.db2.gz	ZAMXJNYAKMTOBE-PZJWPPBQSA-N	1	3	355.526	3.445	20	30		FGEDHO
CC[NH+](CC)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C	ZINC000472145551	502246729	/nfs/dbraw/zinc/24/67/29/502246729.db2.gz	JABNSWCNYKKSNV-PMACEKPBSA-N	1	3	354.498	3.113	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000554960528	505312997	/nfs/dbraw/zinc/31/29/97/505312997.db2.gz	OFIXRECKBIEVSE-BVSLBCMMSA-N	1	3	367.537	3.029	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000554960528	505313001	/nfs/dbraw/zinc/31/30/01/505313001.db2.gz	OFIXRECKBIEVSE-BVSLBCMMSA-N	1	3	367.537	3.029	20	30		FGEDHO
N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1	ZINC000589315669	506514592	/nfs/dbraw/zinc/51/45/92/506514592.db2.gz	ONQXPXGECYNMTI-ZWKOTPCHSA-N	1	3	367.415	3.044	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC[C@@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716355	507078163	/nfs/dbraw/zinc/07/81/63/507078163.db2.gz	KPKDVSVCBLCXTK-UEXGIBASSA-N	1	3	355.526	3.309	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716355	507078168	/nfs/dbraw/zinc/07/81/68/507078168.db2.gz	KPKDVSVCBLCXTK-UEXGIBASSA-N	1	3	355.526	3.309	20	30		FGEDHO
Cn1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180067939	495844010	/nfs/dbraw/zinc/84/40/10/495844010.db2.gz	IKUKFJFGRNSGIP-UHFFFAOYSA-N	1	3	351.498	3.311	20	30		FGEDHO
C[C@@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181415177	496385380	/nfs/dbraw/zinc/38/53/80/496385380.db2.gz	QZSNUGXWOZAURT-LJQANCHMSA-N	1	3	354.542	3.377	20	30		FGEDHO
C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000182265994	496723296	/nfs/dbraw/zinc/72/32/96/496723296.db2.gz	VJRUIBBASIAYOS-AVRDEDQJSA-N	1	3	364.489	3.116	20	30		FGEDHO
C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000182265994	496723298	/nfs/dbraw/zinc/72/32/98/496723298.db2.gz	VJRUIBBASIAYOS-AVRDEDQJSA-N	1	3	364.489	3.116	20	30		FGEDHO
CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000280771459	497893129	/nfs/dbraw/zinc/89/31/29/497893129.db2.gz	DKIBGCMQHNOTEP-QFIPXVFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000280771459	497893136	/nfs/dbraw/zinc/89/31/36/497893136.db2.gz	DKIBGCMQHNOTEP-QFIPXVFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCN1C1CCCC1	ZINC000328940397	498993347	/nfs/dbraw/zinc/99/33/47/498993347.db2.gz	KSHSEKPOUOZRSC-AQNXPRMDSA-N	1	3	363.546	3.118	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000433347304	500678113	/nfs/dbraw/zinc/67/81/13/500678113.db2.gz	LZDPREJXVQQXOQ-JBACZVJFSA-N	1	3	371.525	3.012	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000433347304	500678115	/nfs/dbraw/zinc/67/81/15/500678115.db2.gz	LZDPREJXVQQXOQ-JBACZVJFSA-N	1	3	371.525	3.012	20	30		FGEDHO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CCC)CC1	ZINC000435727684	501019057	/nfs/dbraw/zinc/01/90/57/501019057.db2.gz	DRWVAAJPNYFQHM-UNMCSNQZSA-N	1	3	357.542	3.289	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(C#N)cc1	ZINC000482148098	501990148	/nfs/dbraw/zinc/99/01/48/501990148.db2.gz	YMMHRCVPBGTMIL-AZUAARDMSA-N	1	3	356.514	3.377	20	30		FGEDHO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090681	502227597	/nfs/dbraw/zinc/22/75/97/502227597.db2.gz	PLMYZNXLJXFYKE-FXAWDEMLSA-N	1	3	366.509	3.257	20	30		FGEDHO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090681	502227598	/nfs/dbraw/zinc/22/75/98/502227598.db2.gz	PLMYZNXLJXFYKE-FXAWDEMLSA-N	1	3	366.509	3.257	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)C(C)C	ZINC000483676626	502460029	/nfs/dbraw/zinc/46/00/29/502460029.db2.gz	BZEJHOHIEBXZJN-XUVXKRRUSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)C(C)C	ZINC000483676626	502460031	/nfs/dbraw/zinc/46/00/31/502460031.db2.gz	BZEJHOHIEBXZJN-XUVXKRRUSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1	ZINC000520696027	504559853	/nfs/dbraw/zinc/55/98/53/504559853.db2.gz	SHBRIUMTVMOVDY-HXUWFJFHSA-N	1	3	364.578	3.227	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1	ZINC000594440980	507134986	/nfs/dbraw/zinc/13/49/86/507134986.db2.gz	KIPPFECLZNSZIJ-OPYAIIAOSA-N	1	3	370.541	3.192	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000594440884	507135198	/nfs/dbraw/zinc/13/51/98/507135198.db2.gz	IXBBTELOOZLJHM-YSIASYRMSA-N	1	3	356.514	3.082	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000594440884	507135205	/nfs/dbraw/zinc/13/52/05/507135205.db2.gz	IXBBTELOOZLJHM-YSIASYRMSA-N	1	3	356.514	3.082	20	30		FGEDHO
C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1	ZINC000594441310	507135976	/nfs/dbraw/zinc/13/59/76/507135976.db2.gz	QTBHQMRQUQOIKT-NRFANRHFSA-N	1	3	370.541	3.479	20	30		FGEDHO
C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1	ZINC000594441310	507135983	/nfs/dbraw/zinc/13/59/83/507135983.db2.gz	QTBHQMRQUQOIKT-NRFANRHFSA-N	1	3	370.541	3.479	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1	ZINC000598593946	507510592	/nfs/dbraw/zinc/51/05/92/507510592.db2.gz	YKGBLFSAIJWLDM-HKBOAZHASA-N	1	3	355.526	3.274	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1	ZINC000598593946	507510596	/nfs/dbraw/zinc/51/05/96/507510596.db2.gz	YKGBLFSAIJWLDM-HKBOAZHASA-N	1	3	355.526	3.274	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000602546285	507744554	/nfs/dbraw/zinc/74/45/54/507744554.db2.gz	JDCLTNNZUZGMFE-LJQANCHMSA-N	1	3	371.525	3.350	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC(C)CC1	ZINC000303900078	713790226	/nfs/dbraw/zinc/79/02/26/713790226.db2.gz	WMTBWJZZWSQAKE-ZDUSSCGKSA-N	1	3	358.408	3.432	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000106263996	495441166	/nfs/dbraw/zinc/44/11/66/495441166.db2.gz	YLCLZYGREUWKIU-RTBURBONSA-N	1	3	364.578	3.084	20	30		FGEDHO
CN(C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C	ZINC000179896222	495774413	/nfs/dbraw/zinc/77/44/13/495774413.db2.gz	HILOFEWAKZCUDQ-RBUKOAKNSA-N	1	3	356.514	3.010	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1	ZINC000180274786	495932618	/nfs/dbraw/zinc/93/26/18/495932618.db2.gz	VYMOTAHNHJPVQW-QGZVFWFLSA-N	1	3	350.466	3.379	20	30		FGEDHO
C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000180553231	496042064	/nfs/dbraw/zinc/04/20/64/496042064.db2.gz	VGBNGPALJJWZDB-QGZVFWFLSA-N	1	3	353.466	3.380	20	30		FGEDHO
C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1	ZINC000181524407	496432612	/nfs/dbraw/zinc/43/26/12/496432612.db2.gz	SURVEVAXZCEUBP-KRWDZBQOSA-N	1	3	353.466	3.380	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC	ZINC000367611352	499217473	/nfs/dbraw/zinc/21/74/73/499217473.db2.gz	BUWTXQTYKAADTF-FCGDIQPGSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC	ZINC000367611352	499217474	/nfs/dbraw/zinc/21/74/74/499217474.db2.gz	BUWTXQTYKAADTF-FCGDIQPGSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OC	ZINC000367611352	499217476	/nfs/dbraw/zinc/21/74/76/499217476.db2.gz	BUWTXQTYKAADTF-FCGDIQPGSA-N	1	3	357.498	3.339	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(C#N)c1	ZINC000371155578	499294405	/nfs/dbraw/zinc/29/44/05/499294405.db2.gz	IGIZWLOHVLBGAY-UHFFFAOYSA-N	1	3	354.542	3.186	20	30		FGEDHO
CC1CC[NH+](CC2CCN(CCC(=O)Nc3sccc3C#N)CC2)CC1	ZINC000368960822	499350883	/nfs/dbraw/zinc/35/08/83/499350883.db2.gz	BGLXXVZGPYJTNT-UHFFFAOYSA-N	1	3	374.554	3.392	20	30		FGEDHO
COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000442882060	500639922	/nfs/dbraw/zinc/63/99/22/500639922.db2.gz	PGBDPMBUEFROHM-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000442882060	500639924	/nfs/dbraw/zinc/63/99/24/500639924.db2.gz	PGBDPMBUEFROHM-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
CN1CCCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000598993372	506266480	/nfs/dbraw/zinc/26/64/80/506266480.db2.gz	ANQIWJFYSLZSMP-SFHVURJKSA-N	1	3	351.498	3.285	20	30		FGEDHO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090683	502227502	/nfs/dbraw/zinc/22/75/02/502227502.db2.gz	PLMYZNXLJXFYKE-XLIONFOSSA-N	1	3	366.509	3.257	20	30		FGEDHO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090683	502227506	/nfs/dbraw/zinc/22/75/06/502227506.db2.gz	PLMYZNXLJXFYKE-XLIONFOSSA-N	1	3	366.509	3.257	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1sccc1C#N	ZINC000503222211	503370454	/nfs/dbraw/zinc/37/04/54/503370454.db2.gz	LAYATRKSIKAISN-SJORKVTESA-N	1	3	362.543	3.439	20	30		FGEDHO
C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ccc(C#N)o3)cc2)C[C@H]1C	ZINC000540653134	503845654	/nfs/dbraw/zinc/84/56/54/503845654.db2.gz	IEOCVNANNAZDLZ-QZTJIDSGSA-N	1	3	367.493	3.450	20	30		FGEDHO
CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000532589597	504704625	/nfs/dbraw/zinc/70/46/25/504704625.db2.gz	YTXSKISQHKEKOZ-WMLDXEAASA-N	1	3	362.905	3.345	20	30		FGEDHO
CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000532589597	504704630	/nfs/dbraw/zinc/70/46/30/504704630.db2.gz	YTXSKISQHKEKOZ-WMLDXEAASA-N	1	3	362.905	3.345	20	30		FGEDHO
CC(C)(C)N1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1	ZINC000593703230	506741294	/nfs/dbraw/zinc/74/12/94/506741294.db2.gz	RDACAQLROQGUHX-UHFFFAOYSA-N	1	3	354.542	3.375	20	30		FGEDHO
CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(CN(C)C)cc1	ZINC000609029818	506764620	/nfs/dbraw/zinc/76/46/20/506764620.db2.gz	IGALOTCIUMXCQR-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(CN(C)C)cc1	ZINC000609029818	506764627	/nfs/dbraw/zinc/76/46/27/506764627.db2.gz	IGALOTCIUMXCQR-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(NCc3ccccc3)CC2)cc1	ZINC000595509234	507536928	/nfs/dbraw/zinc/53/69/28/507536928.db2.gz	DSMFEOLVUBKKGR-UHFFFAOYSA-N	1	3	362.477	3.141	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000598730339	507570959	/nfs/dbraw/zinc/57/09/59/507570959.db2.gz	UCLFRRCICGNCMI-UXHICEINSA-N	1	3	355.526	3.179	20	30		FGEDHO
CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCSCC#N)C2)ccn1	ZINC000856600248	732040616	/nfs/dbraw/zinc/04/06/16/732040616.db2.gz	RVRSAVSBFYSYME-LJQANCHMSA-N	1	3	362.543	3.022	20	30		FGEDHO
CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCSCC#N)C2)ccn1	ZINC000856600248	732040620	/nfs/dbraw/zinc/04/06/20/732040620.db2.gz	RVRSAVSBFYSYME-LJQANCHMSA-N	1	3	362.543	3.022	20	30		FGEDHO
CN(CCC#N)c1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1	ZINC000069711509	494000366	/nfs/dbraw/zinc/00/03/66/494000366.db2.gz	NYWZXOAWDSWXAK-UHFFFAOYSA-N	1	3	366.509	3.267	20	30		FGEDHO
CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000113513732	495307760	/nfs/dbraw/zinc/30/77/60/495307760.db2.gz	HIBDQXDTLUCHLN-HNNXBMFYSA-N	1	3	374.554	3.101	20	30		FGEDHO
CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000113513732	495307763	/nfs/dbraw/zinc/30/77/63/495307763.db2.gz	HIBDQXDTLUCHLN-HNNXBMFYSA-N	1	3	374.554	3.101	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1	ZINC000106274984	495442041	/nfs/dbraw/zinc/44/20/41/495442041.db2.gz	QQAICHFRBRSRHU-UHFFFAOYSA-N	1	3	372.557	3.320	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185670920	495672030	/nfs/dbraw/zinc/67/20/30/495672030.db2.gz	GYHCRPBQBWVAFN-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185670920	495672032	/nfs/dbraw/zinc/67/20/32/495672032.db2.gz	GYHCRPBQBWVAFN-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	ZINC000185670920	495672034	/nfs/dbraw/zinc/67/20/34/495672034.db2.gz	GYHCRPBQBWVAFN-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
CC(C)CN1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000182045549	496648635	/nfs/dbraw/zinc/64/86/35/496648635.db2.gz	KNXYQGCKCSKFCK-JOCHJYFZSA-N	1	3	368.569	3.480	20	30		FGEDHO
CC(C)CN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000278731323	497203022	/nfs/dbraw/zinc/20/30/22/497203022.db2.gz	UKNAZXWZIVLGCE-UHFFFAOYSA-N	1	3	366.513	3.069	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000602728049	506275829	/nfs/dbraw/zinc/27/58/29/506275829.db2.gz	HXQAODUIVLZCKH-QKNQBKEWSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000602728049	506275831	/nfs/dbraw/zinc/27/58/31/506275831.db2.gz	HXQAODUIVLZCKH-QKNQBKEWSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000602728049	506275833	/nfs/dbraw/zinc/27/58/33/506275833.db2.gz	HXQAODUIVLZCKH-QKNQBKEWSA-N	1	3	355.526	3.443	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C(C)C	ZINC000567149953	505377921	/nfs/dbraw/zinc/37/79/21/505377921.db2.gz	GXRHFNVZKYHRRL-QUCCMNQESA-N	1	3	364.578	3.057	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594441527	507135536	/nfs/dbraw/zinc/13/55/36/507135536.db2.gz	SJMUTTFEHKFXGB-FXAWDEMLSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594441527	507135541	/nfs/dbraw/zinc/13/55/41/507135541.db2.gz	SJMUTTFEHKFXGB-FXAWDEMLSA-N	1	3	356.514	3.088	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000598725264	507568939	/nfs/dbraw/zinc/56/89/39/507568939.db2.gz	WRJMXZBKKFBLCZ-UWHLTILDSA-N	1	3	355.526	3.177	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC[C@@H](C)C1	ZINC000305240052	713792928	/nfs/dbraw/zinc/79/29/28/713792928.db2.gz	QRBJBMKSFIRDAX-OLZOCXBDSA-N	1	3	358.408	3.432	20	30		FGEDHO
C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1	ZINC000799725028	724087916	/nfs/dbraw/zinc/08/79/16/724087916.db2.gz	CHPKBAIDSDDRMY-QGZVFWFLSA-N	1	3	365.949	3.495	20	30		FGEDHO
N#Cc1cccc(NC(=O)CCN2CCC(C[NH+]3CCCCCC3)CC2)c1	ZINC000052713768	494055850	/nfs/dbraw/zinc/05/58/50/494055850.db2.gz	RUBZHXVTFQZKJJ-UHFFFAOYSA-N	1	3	368.525	3.475	20	30		FGEDHO
C=C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000122218207	494941797	/nfs/dbraw/zinc/94/17/97/494941797.db2.gz	WLKRVOJWSKDRAA-GOSISDBHSA-N	1	3	355.526	3.021	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1	ZINC000113617957	495322188	/nfs/dbraw/zinc/32/21/88/495322188.db2.gz	LCKRSTIGNIBDIZ-SFHVURJKSA-N	1	3	372.557	3.456	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185670972	495672686	/nfs/dbraw/zinc/67/26/86/495672686.db2.gz	GYHCRPBQBWVAFN-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185670972	495672693	/nfs/dbraw/zinc/67/26/93/495672693.db2.gz	GYHCRPBQBWVAFN-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1	ZINC000185670972	495672701	/nfs/dbraw/zinc/67/27/01/495672701.db2.gz	GYHCRPBQBWVAFN-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
N#C[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1	ZINC000185785664	495725800	/nfs/dbraw/zinc/72/58/00/495725800.db2.gz	XTSXAJFHUFVVQP-FCHUYYIVSA-N	1	3	354.542	3.256	20	30		FGEDHO
C=CCN1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1	ZINC000172265018	496235278	/nfs/dbraw/zinc/23/52/78/496235278.db2.gz	ZPLCEYOXNKTQTE-KRWDZBQOSA-N	1	3	358.530	3.065	20	30		FGEDHO
C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(OCC#N)cc1	ZINC000181827205	496561195	/nfs/dbraw/zinc/56/11/95/496561195.db2.gz	WXBSHIQBAFQZQJ-IBGZPJMESA-N	1	3	370.541	3.190	20	30		FGEDHO
C[NH+](C)CCOc1ccccc1N1CCN(CCCC(C)(C)C#N)CC1	ZINC000267368592	497534645	/nfs/dbraw/zinc/53/46/45/497534645.db2.gz	JTZWACBVQDZFGX-UHFFFAOYSA-N	1	3	358.530	3.079	20	30		FGEDHO
CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCCC1	ZINC000276951883	497697196	/nfs/dbraw/zinc/69/71/96/497697196.db2.gz	VLSADEAEYNBERN-UHFFFAOYSA-N	1	3	354.542	3.234	20	30		FGEDHO
C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000280767801	497889955	/nfs/dbraw/zinc/88/99/55/497889955.db2.gz	DBPRLDHMTRMRFJ-DYESRHJHSA-N	1	3	374.488	3.486	20	30		FGEDHO
CN(CCCSCC#N)[C@H]1CCC[N@H+](CCCSCC#N)CC1	ZINC000372887381	499189777	/nfs/dbraw/zinc/18/97/77/499189777.db2.gz	ZJFWYPWITYTLIY-KRWDZBQOSA-N	1	3	354.589	3.066	20	30		FGEDHO
CN(CCCSCC#N)[C@H]1CCC[N@@H+](CCCSCC#N)CC1	ZINC000372887381	499189779	/nfs/dbraw/zinc/18/97/79/499189779.db2.gz	ZJFWYPWITYTLIY-KRWDZBQOSA-N	1	3	354.589	3.066	20	30		FGEDHO
CC(C)N1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433319168	500671786	/nfs/dbraw/zinc/67/17/86/500671786.db2.gz	NQJGYYPSRRIRCI-SFHVURJKSA-N	1	3	366.513	3.069	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C	ZINC000448462150	500761823	/nfs/dbraw/zinc/76/18/23/500761823.db2.gz	QXCCCJHOYNKWAE-XUVXKRRUSA-N	1	3	364.578	3.057	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C	ZINC000448462150	500761826	/nfs/dbraw/zinc/76/18/26/500761826.db2.gz	QXCCCJHOYNKWAE-XUVXKRRUSA-N	1	3	364.578	3.057	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C(C)C	ZINC000483676625	502460118	/nfs/dbraw/zinc/46/01/18/502460118.db2.gz	BZEJHOHIEBXZJN-VAMGGRTRSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C(C)C	ZINC000483676625	502460122	/nfs/dbraw/zinc/46/01/22/502460122.db2.gz	BZEJHOHIEBXZJN-VAMGGRTRSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000530447268	503968170	/nfs/dbraw/zinc/96/81/70/503968170.db2.gz	YOSJDCDTUSCTBB-UHFFFAOYSA-N	1	3	360.546	3.496	20	30		FGEDHO
C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321373	506538476	/nfs/dbraw/zinc/53/84/76/506538476.db2.gz	IQBWZHYUGPYRRD-WZONZLPQSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321373	506538480	/nfs/dbraw/zinc/53/84/80/506538480.db2.gz	IQBWZHYUGPYRRD-WZONZLPQSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324130	506541385	/nfs/dbraw/zinc/54/13/85/506541385.db2.gz	YFQRYYYNWQOLJI-XMSQKQJNSA-N	1	3	354.542	3.423	20	30		FGEDHO
N#CCCCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1	ZINC000594436605	507132596	/nfs/dbraw/zinc/13/25/96/507132596.db2.gz	DPNTZMFAINDHSA-HXUWFJFHSA-N	1	3	356.514	3.090	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2)CC1	ZINC000594944308	507324438	/nfs/dbraw/zinc/32/44/38/507324438.db2.gz	TXDOTXAMFYKCTI-JOCHJYFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2)CC1	ZINC000594944308	507324444	/nfs/dbraw/zinc/32/44/44/507324444.db2.gz	TXDOTXAMFYKCTI-JOCHJYFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1	ZINC000602535823	507740613	/nfs/dbraw/zinc/74/06/13/507740613.db2.gz	UANSKKUXLAIBGU-TZIWHRDSSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000602535823	507740621	/nfs/dbraw/zinc/74/06/21/507740621.db2.gz	UANSKKUXLAIBGU-TZIWHRDSSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000602535823	507740625	/nfs/dbraw/zinc/74/06/25/507740625.db2.gz	UANSKKUXLAIBGU-TZIWHRDSSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C)C1	ZINC000303872219	713789491	/nfs/dbraw/zinc/78/94/91/713789491.db2.gz	BWWYNFIFBBYTGJ-OLZOCXBDSA-N	1	3	358.408	3.432	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C)C1	ZINC000303872220	713789639	/nfs/dbraw/zinc/78/96/39/713789639.db2.gz	BWWYNFIFBBYTGJ-QWHCGFSZSA-N	1	3	358.408	3.432	20	30		FGEDHO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2	ZINC000639757197	717599133	/nfs/dbraw/zinc/59/91/33/717599133.db2.gz	IJBZDFXFCDANBV-QGZVFWFLSA-N	1	3	361.555	3.069	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821554	494764967	/nfs/dbraw/zinc/76/49/67/494764967.db2.gz	VNDDOHJYFOQQJR-LJQANCHMSA-N	1	3	372.557	3.433	20	30		FGEDHO
N#Cc1ccc2ncc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)n2c1	ZINC000123523232	495145991	/nfs/dbraw/zinc/14/59/91/495145991.db2.gz	KZVNNOQBXNZYIE-QGZVFWFLSA-N	1	3	365.506	3.269	20	30		FGEDHO
N#Cc1ccc2ncc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)n2c1	ZINC000123523232	495145993	/nfs/dbraw/zinc/14/59/93/495145993.db2.gz	KZVNNOQBXNZYIE-QGZVFWFLSA-N	1	3	365.506	3.269	20	30		FGEDHO
C=C(C)COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OC	ZINC000268953807	496833583	/nfs/dbraw/zinc/83/35/83/496833583.db2.gz	FQNHHWKALZVCIE-WOJBJXKFSA-N	1	3	374.525	3.118	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1	ZINC000265205874	497071553	/nfs/dbraw/zinc/07/15/53/497071553.db2.gz	SLZCEMANZWLMHB-SIKLNZKXSA-N	1	3	372.557	3.263	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1	ZINC000265205874	497071557	/nfs/dbraw/zinc/07/15/57/497071557.db2.gz	SLZCEMANZWLMHB-SIKLNZKXSA-N	1	3	372.557	3.263	20	30		FGEDHO
Cc1ccc(NC(=[NH2+])NCc2ccccc2CN2CCC(O)CC2)cc1C	ZINC000267458984	497558464	/nfs/dbraw/zinc/55/84/64/497558464.db2.gz	UMYJDFVXWWGDEV-UHFFFAOYSA-N	1	3	366.509	3.187	20	30		FGEDHO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1	ZINC000282543770	498551825	/nfs/dbraw/zinc/55/18/25/498551825.db2.gz	RRJMUWDGPAKDPI-VXKWHMMOSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1	ZINC000282543770	498551839	/nfs/dbraw/zinc/55/18/39/498551839.db2.gz	RRJMUWDGPAKDPI-VXKWHMMOSA-N	1	3	363.505	3.482	20	30		FGEDHO
C[C@@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1	ZINC000329366481	499109598	/nfs/dbraw/zinc/10/95/98/499109598.db2.gz	KLUIQNPSFQZZPV-VQIMIIECSA-N	1	3	372.557	3.462	20	30		FGEDHO
C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000368069906	499261490	/nfs/dbraw/zinc/26/14/90/499261490.db2.gz	NYXRCBVRYCONNB-JBACZVJFSA-N	1	3	355.526	3.006	20	30		FGEDHO
C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000368069906	499261491	/nfs/dbraw/zinc/26/14/91/499261491.db2.gz	NYXRCBVRYCONNB-JBACZVJFSA-N	1	3	355.526	3.006	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](N)c4ccccc43)C2)c(F)c1	ZINC000579342536	506151735	/nfs/dbraw/zinc/15/17/35/506151735.db2.gz	VRVBZXFYGWONFJ-CWFSZBLJSA-N	1	3	350.441	3.401	20	30		FGEDHO
C=CCOc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1	ZINC000414533456	499804098	/nfs/dbraw/zinc/80/40/98/499804098.db2.gz	BLFDAHUGABMUOX-UHFFFAOYSA-N	1	3	366.505	3.368	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)C1	ZINC000433347303	500678285	/nfs/dbraw/zinc/67/82/85/500678285.db2.gz	LZDPREJXVQQXOQ-GIVPXCGWSA-N	1	3	371.525	3.012	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)C1	ZINC000433347303	500678288	/nfs/dbraw/zinc/67/82/88/500678288.db2.gz	LZDPREJXVQQXOQ-GIVPXCGWSA-N	1	3	371.525	3.012	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1	ZINC000602656281	506248293	/nfs/dbraw/zinc/24/82/93/506248293.db2.gz	XSJWDFFVSXKWHR-GOSISDBHSA-N	1	3	371.525	3.348	20	30		FGEDHO
CC[N@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000561396003	505334975	/nfs/dbraw/zinc/33/49/75/505334975.db2.gz	RYJSNGWVTRFVLN-UHFFFAOYSA-N	1	3	351.498	3.267	20	30		FGEDHO
CC[N@@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000561396003	505334977	/nfs/dbraw/zinc/33/49/77/505334977.db2.gz	RYJSNGWVTRFVLN-UHFFFAOYSA-N	1	3	351.498	3.267	20	30		FGEDHO
N#Cc1ccccc1NC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1	ZINC000608779661	506706710	/nfs/dbraw/zinc/70/67/10/506706710.db2.gz	ODCUJZRSUJEJNP-UHFFFAOYSA-N	1	3	368.525	3.475	20	30		FGEDHO
CN1CCC([NH+]2CCC(NCc3ccc(C(C)(C)C#N)cc3)CC2)CC1	ZINC000594503283	507158781	/nfs/dbraw/zinc/15/87/81/507158781.db2.gz	UOWGDONHUTVXOR-UHFFFAOYSA-N	1	3	354.542	3.136	20	30		FGEDHO
C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065405	507374973	/nfs/dbraw/zinc/37/49/73/507374973.db2.gz	AYEIYWDTNSSZRQ-MGPUTAFESA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065405	507374974	/nfs/dbraw/zinc/37/49/74/507374974.db2.gz	AYEIYWDTNSSZRQ-MGPUTAFESA-N	1	3	353.441	3.115	20	30		FGEDHO
N#C[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1	ZINC000185785679	495725755	/nfs/dbraw/zinc/72/57/55/495725755.db2.gz	XTSXAJFHUFVVQP-VXKWHMMOSA-N	1	3	354.542	3.256	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1	ZINC000171552032	495924337	/nfs/dbraw/zinc/92/43/37/495924337.db2.gz	XIVIHEOUSUNZEP-UHFFFAOYSA-N	1	3	370.541	3.122	20	30		FGEDHO
C=C(C)COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OC	ZINC000268953802	496833464	/nfs/dbraw/zinc/83/34/64/496833464.db2.gz	FQNHHWKALZVCIE-UXHICEINSA-N	1	3	374.525	3.118	20	30		FGEDHO
CC1CCN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000278568430	497155048	/nfs/dbraw/zinc/15/50/48/497155048.db2.gz	DJRPERUTTBRFDD-UHFFFAOYSA-N	1	3	366.513	3.070	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000280157275	497666747	/nfs/dbraw/zinc/66/67/47/497666747.db2.gz	WVLNNTXSRPMRSX-VDGAXYAQSA-N	1	3	364.493	3.010	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000280157275	497666753	/nfs/dbraw/zinc/66/67/53/497666753.db2.gz	WVLNNTXSRPMRSX-VDGAXYAQSA-N	1	3	364.493	3.010	20	30		FGEDHO
C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000280603049	497823185	/nfs/dbraw/zinc/82/31/85/497823185.db2.gz	XGBXERIFZMBZID-XMSQKQJNSA-N	1	3	374.488	3.267	20	30		FGEDHO
C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000280603049	497823188	/nfs/dbraw/zinc/82/31/88/497823188.db2.gz	XGBXERIFZMBZID-XMSQKQJNSA-N	1	3	374.488	3.267	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896888	497940848	/nfs/dbraw/zinc/94/08/48/497940848.db2.gz	SSXACHAAZRNHRS-OPYAIIAOSA-N	1	3	366.509	3.115	20	30		FGEDHO
CCC[NH+]1CCC(NC(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1	ZINC000329937048	497960709	/nfs/dbraw/zinc/96/07/09/497960709.db2.gz	RVHCKMBAAYLEKF-UHFFFAOYSA-N	1	3	373.545	3.029	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1	ZINC000371497100	499334455	/nfs/dbraw/zinc/33/44/55/499334455.db2.gz	IYSIFPMHDDIHNH-UGKGYDQZSA-N	1	3	367.537	3.016	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1	ZINC000371497100	499334457	/nfs/dbraw/zinc/33/44/57/499334457.db2.gz	IYSIFPMHDDIHNH-UGKGYDQZSA-N	1	3	367.537	3.016	20	30		FGEDHO
Cc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C#N	ZINC000488229576	502664425	/nfs/dbraw/zinc/66/44/25/502664425.db2.gz	XRPUWTBHPCMXJP-UHFFFAOYSA-N	1	3	368.569	3.495	20	30		FGEDHO
CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000517204735	503672548	/nfs/dbraw/zinc/67/25/48/503672548.db2.gz	CNGCXZKRXFDNOM-UHFFFAOYSA-N	1	3	368.447	3.084	20	30		FGEDHO
C=CCc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1O	ZINC000530723026	504065191	/nfs/dbraw/zinc/06/51/91/504065191.db2.gz	JSUPBZKMWQLFPB-IRXDYDNUSA-N	1	3	362.514	3.108	20	30		FGEDHO
CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)CC1	ZINC000564690313	505493065	/nfs/dbraw/zinc/49/30/65/505493065.db2.gz	SWIGGPUZANCNAY-QHCPKHFHSA-N	1	3	360.505	3.083	20	30		FGEDHO
C=CCN1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000185431142	495574660	/nfs/dbraw/zinc/57/46/60/495574660.db2.gz	BVIAYAIYVDXJFP-UHFFFAOYSA-N	1	3	355.526	3.055	20	30		FGEDHO
[NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccccn1	ZINC000178570237	496502254	/nfs/dbraw/zinc/50/22/54/496502254.db2.gz	GKLXCODYDHBPBW-UHFFFAOYSA-N	1	3	357.889	3.374	20	30		FGEDHO
C=C(C)CN(CC)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C	ZINC000184747060	496517055	/nfs/dbraw/zinc/51/70/55/496517055.db2.gz	FWRFOUNMGUVAIA-RTBURBONSA-N	1	3	357.542	3.157	20	30		FGEDHO
CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1	ZINC000189790436	497245261	/nfs/dbraw/zinc/24/52/61/497245261.db2.gz	XHBLVMKBGSVUEE-GOSISDBHSA-N	1	3	370.541	3.179	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1	ZINC000572148024	505901107	/nfs/dbraw/zinc/90/11/07/505901107.db2.gz	NJEZAXQAMOMVIR-QGZVKYPTSA-N	1	3	356.489	3.176	20	30		FGEDHO
C=CCC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000245903507	497565385	/nfs/dbraw/zinc/56/53/85/497565385.db2.gz	BOOAWOBIXQCEFL-NHCUHLMSSA-N	1	3	355.526	3.218	20	30		FGEDHO
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280856082	497924389	/nfs/dbraw/zinc/92/43/89/497924389.db2.gz	KODOISOPQHRTJP-QFIPXVFZSA-N	1	3	374.488	3.351	20	30		FGEDHO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1	ZINC000282543776	498551649	/nfs/dbraw/zinc/55/16/49/498551649.db2.gz	RRJMUWDGPAKDPI-YADHBBJMSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1	ZINC000282543776	498551655	/nfs/dbraw/zinc/55/16/55/498551655.db2.gz	RRJMUWDGPAKDPI-YADHBBJMSA-N	1	3	363.505	3.482	20	30		FGEDHO
COc1cccc(NC(=[NH2+])NC[C@H]2CCCN(Cc3cccs3)C2)c1	ZINC000303864998	498722588	/nfs/dbraw/zinc/72/25/88/498722588.db2.gz	BLUIXDMPZSLICT-OAHLLOKOSA-N	1	3	358.511	3.396	20	30		FGEDHO
C=CCOc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1	ZINC000368291986	499282631	/nfs/dbraw/zinc/28/26/31/499282631.db2.gz	BCOGEZRNYXUQFU-UHFFFAOYSA-N	1	3	357.542	3.101	20	30		FGEDHO
CN(CC#Cc1ccc(F)cc1)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000438449819	500787110	/nfs/dbraw/zinc/78/71/10/500787110.db2.gz	DENUOIFMTPSBTB-UHFFFAOYSA-N	1	3	371.544	3.305	20	30		FGEDHO
N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1	ZINC000596059147	506232866	/nfs/dbraw/zinc/23/28/66/506232866.db2.gz	NCFJBNXTAANXPG-FQEVSTJZSA-N	1	3	352.526	3.239	20	30		FGEDHO
C=CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Cl	ZINC000441377009	501130532	/nfs/dbraw/zinc/13/05/32/501130532.db2.gz	BPGZRHCDMOPYCK-UHFFFAOYSA-N	1	3	351.922	3.020	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1	ZINC000455931206	501419115	/nfs/dbraw/zinc/41/91/15/501419115.db2.gz	PHPPXEFALWNBFE-FQEVSTJZSA-N	1	3	356.514	3.398	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(C#N)cc1	ZINC000482148105	501990256	/nfs/dbraw/zinc/99/02/56/501990256.db2.gz	YMMHRCVPBGTMIL-ICSRJNTNSA-N	1	3	356.514	3.377	20	30		FGEDHO
N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891944	504945074	/nfs/dbraw/zinc/94/50/74/504945074.db2.gz	GYBMBHHMYDUUDO-QHAWAJNXSA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891944	504945076	/nfs/dbraw/zinc/94/50/76/504945076.db2.gz	GYBMBHHMYDUUDO-QHAWAJNXSA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891944	504945077	/nfs/dbraw/zinc/94/50/77/504945077.db2.gz	GYBMBHHMYDUUDO-QHAWAJNXSA-N	1	3	353.510	3.197	20	30		FGEDHO
C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1	ZINC000592479532	507673126	/nfs/dbraw/zinc/67/31/26/507673126.db2.gz	ADJSTTVZBBUDPX-UHFFFAOYSA-N	1	3	370.541	3.122	20	30		FGEDHO
CS[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H](SC)C3)c2)C1	ZINC000878665770	736905647	/nfs/dbraw/zinc/90/56/47/736905647.db2.gz	LPLHCADQTSVQKA-RTBURBONSA-N	1	3	361.580	3.433	20	30		FGEDHO
CS[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@@H](SC)C3)c2)C1	ZINC000878665770	736905650	/nfs/dbraw/zinc/90/56/50/736905650.db2.gz	LPLHCADQTSVQKA-RTBURBONSA-N	1	3	361.580	3.433	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1	ZINC000050032944	493893533	/nfs/dbraw/zinc/89/35/33/493893533.db2.gz	LYBDDRMFFQBLMU-IBGZPJMESA-N	1	3	367.537	3.022	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000050032944	493893539	/nfs/dbraw/zinc/89/35/39/493893539.db2.gz	LYBDDRMFFQBLMU-IBGZPJMESA-N	1	3	367.537	3.022	20	30		FGEDHO
C=CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000188833804	496923045	/nfs/dbraw/zinc/92/30/45/496923045.db2.gz	OLVIQIFWVIGQSZ-QFIPXVFZSA-N	1	3	369.553	3.411	20	30		FGEDHO
C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1	ZINC000271911813	497485822	/nfs/dbraw/zinc/48/58/22/497485822.db2.gz	FCHNMZFTMIRRDG-QGZVFWFLSA-N	1	3	366.484	3.296	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000280337107	497724456	/nfs/dbraw/zinc/72/44/56/497724456.db2.gz	HNGRRCQDHMICLA-LJQANCHMSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@H]([NH2+]C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000280767805	497890217	/nfs/dbraw/zinc/89/02/17/497890217.db2.gz	DBPRLDHMTRMRFJ-LAUBAEHRSA-N	1	3	374.488	3.486	20	30		FGEDHO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(C#N)cc1	ZINC000282543760	498552081	/nfs/dbraw/zinc/55/20/81/498552081.db2.gz	RRJMUWDGPAKDPI-FCHUYYIVSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(C#N)cc1	ZINC000282543760	498552088	/nfs/dbraw/zinc/55/20/88/498552088.db2.gz	RRJMUWDGPAKDPI-FCHUYYIVSA-N	1	3	363.505	3.482	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336425	499422250	/nfs/dbraw/zinc/42/22/50/499422250.db2.gz	GNODZAFBXYHPJO-LMNJBCLMSA-N	1	3	355.526	3.467	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336425	499422251	/nfs/dbraw/zinc/42/22/51/499422251.db2.gz	GNODZAFBXYHPJO-LMNJBCLMSA-N	1	3	355.526	3.467	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccccc1C#N	ZINC000411556599	499762764	/nfs/dbraw/zinc/76/27/64/499762764.db2.gz	YEULIXPUTBFTSJ-RTBURBONSA-N	1	3	356.514	3.377	20	30		FGEDHO
N#Cc1ccc(CN2CCC(NCC[NH2+]C3CCCCCC3)CC2)cc1	ZINC000423285819	500361652	/nfs/dbraw/zinc/36/16/52/500361652.db2.gz	YULHYYRJJIDESD-UHFFFAOYSA-N	1	3	354.542	3.425	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1	ZINC000431966649	500449789	/nfs/dbraw/zinc/44/97/89/500449789.db2.gz	WBAYWPLTMXMMFG-UYAOXDASSA-N	1	3	364.578	3.227	20	30		FGEDHO
C=CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1	ZINC000458127422	501376944	/nfs/dbraw/zinc/37/69/44/501376944.db2.gz	MTKOWYBGUACPSB-UHFFFAOYSA-N	1	3	362.562	3.123	20	30		FGEDHO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1	ZINC000515165835	503282972	/nfs/dbraw/zinc/28/29/72/503282972.db2.gz	KKSATTXFTKQSBE-NRFANRHFSA-N	1	3	358.526	3.151	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1sccc1C#N	ZINC000503222208	503370604	/nfs/dbraw/zinc/37/06/04/503370604.db2.gz	LAYATRKSIKAISN-DLBZAZTESA-N	1	3	362.543	3.439	20	30		FGEDHO
C[C@H](O)C[C@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469106	503562168	/nfs/dbraw/zinc/56/21/68/503562168.db2.gz	OANMBDTYZPNDLQ-MYGLTJDJSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@H](O)C[C@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469106	503562171	/nfs/dbraw/zinc/56/21/71/503562171.db2.gz	OANMBDTYZPNDLQ-MYGLTJDJSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469106	503562173	/nfs/dbraw/zinc/56/21/73/503562173.db2.gz	OANMBDTYZPNDLQ-MYGLTJDJSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469106	503562177	/nfs/dbraw/zinc/56/21/77/503562177.db2.gz	OANMBDTYZPNDLQ-MYGLTJDJSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@H](O)C[C@@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469100	503562458	/nfs/dbraw/zinc/56/24/58/503562458.db2.gz	OANMBDTYZPNDLQ-CMOCDZPBSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@H](O)C[C@@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469100	503562463	/nfs/dbraw/zinc/56/24/63/503562463.db2.gz	OANMBDTYZPNDLQ-CMOCDZPBSA-N	1	3	364.574	3.021	20	30		FGEDHO
CN(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1	ZINC000537296562	503872728	/nfs/dbraw/zinc/87/27/28/503872728.db2.gz	XLZALTLZCPUIOG-UHFFFAOYSA-N	1	3	354.542	3.377	20	30		FGEDHO
C[N@H+](CCNC1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1	ZINC000537296562	503872733	/nfs/dbraw/zinc/87/27/33/503872733.db2.gz	XLZALTLZCPUIOG-UHFFFAOYSA-N	1	3	354.542	3.377	20	30		FGEDHO
C[N@@H+](CCNC1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1	ZINC000537296562	503872737	/nfs/dbraw/zinc/87/27/37/503872737.db2.gz	XLZALTLZCPUIOG-UHFFFAOYSA-N	1	3	354.542	3.377	20	30		FGEDHO
CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(C#N)cc2F)CC1	ZINC000532587974	504703140	/nfs/dbraw/zinc/70/31/40/504703140.db2.gz	HWTTYJAOWCBCQP-UHFFFAOYSA-N	1	3	366.484	3.125	20	30		FGEDHO
COCC[C@@H]1CCCCN(CC#CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1	ZINC000551395932	505217062	/nfs/dbraw/zinc/21/70/62/505217062.db2.gz	WTKMKHIGXHYACE-VXKWHMMOSA-N	1	3	364.574	3.267	20	30		FGEDHO
COCC[C@@H]1CCCCN(CC#CC[N@H+]2CCCC[C@@H](CCOC)C2)C1	ZINC000551395932	505217065	/nfs/dbraw/zinc/21/70/65/505217065.db2.gz	WTKMKHIGXHYACE-VXKWHMMOSA-N	1	3	364.574	3.267	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@@H](O)CC2(C#N)CC2)C1	ZINC000600716391	507079206	/nfs/dbraw/zinc/07/92/06/507079206.db2.gz	KYYCKARGMQSFPH-UEXGIBASSA-N	1	3	355.526	3.309	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@@H](O)CC2(C#N)CC2)C1	ZINC000600716391	507079213	/nfs/dbraw/zinc/07/92/13/507079213.db2.gz	KYYCKARGMQSFPH-UEXGIBASSA-N	1	3	355.526	3.309	20	30		FGEDHO
N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1	ZINC000592183607	507527565	/nfs/dbraw/zinc/52/75/65/507527565.db2.gz	KQSZCUKLGMTSLM-HXUWFJFHSA-N	1	3	368.525	3.055	20	30		FGEDHO
CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1	ZINC000611391165	507659656	/nfs/dbraw/zinc/65/96/56/507659656.db2.gz	XVXJKKUFDFGXSM-XMMPIXPASA-N	1	3	374.532	3.473	20	30		FGEDHO
C[NH+](C)CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1	ZINC000611395255	507661086	/nfs/dbraw/zinc/66/10/86/507661086.db2.gz	YZERGYDJGJBVAD-FQEVSTJZSA-N	1	3	350.466	3.061	20	30		FGEDHO
N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1	ZINC000595896729	507731460	/nfs/dbraw/zinc/73/14/60/507731460.db2.gz	WKLZREBTHCDWFC-BQFCYCMXSA-N	1	3	367.415	3.295	20	30		FGEDHO
N#Cc1cc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)cs1	ZINC000922334193	758895376	/nfs/dbraw/zinc/89/53/76/758895376.db2.gz	FXFGIHSDHNKXPS-UHFFFAOYSA-N	1	3	355.507	3.127	20	30		FGEDHO
C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000580459109	505764665	/nfs/dbraw/zinc/76/46/65/505764665.db2.gz	AZFIMUHQFISXNN-ROUUACIJSA-N	1	3	373.504	3.452	20	30		FGEDHO
N#CCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1	ZINC000136570515	495387670	/nfs/dbraw/zinc/38/76/70/495387670.db2.gz	WOPAGOFXFUFQTC-FCHUYYIVSA-N	1	3	371.525	3.227	20	30		FGEDHO
C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1	ZINC000171768815	496029282	/nfs/dbraw/zinc/02/92/82/496029282.db2.gz	PMRHHOQROJPAQU-QGZVFWFLSA-N	1	3	353.466	3.380	20	30		FGEDHO
C[C@@H]1CN(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000156031013	496138493	/nfs/dbraw/zinc/13/84/93/496138493.db2.gz	QIBYCYUSBQLPEH-RTBURBONSA-N	1	3	371.525	3.148	20	30		FGEDHO
C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000186903896	496203320	/nfs/dbraw/zinc/20/33/20/496203320.db2.gz	KTQBASFOCHVKEF-QGZVFWFLSA-N	1	3	370.541	3.035	20	30		FGEDHO
C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000182266019	496723502	/nfs/dbraw/zinc/72/35/02/496723502.db2.gz	VJRUIBBASIAYOS-GCJKJVERSA-N	1	3	364.489	3.116	20	30		FGEDHO
C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000182266019	496723504	/nfs/dbraw/zinc/72/35/04/496723504.db2.gz	VJRUIBBASIAYOS-GCJKJVERSA-N	1	3	364.489	3.116	20	30		FGEDHO
C[N@H+](CCN1CCN(CCCCC(C)(C)C#N)CC1)Cc1ccccc1	ZINC000277682607	496851034	/nfs/dbraw/zinc/85/10/34/496851034.db2.gz	KQDVBBYYGFAUIR-UHFFFAOYSA-N	1	3	356.558	3.456	20	30		FGEDHO
C[N@@H+](CCN1CCN(CCCCC(C)(C)C#N)CC1)Cc1ccccc1	ZINC000277682607	496851042	/nfs/dbraw/zinc/85/10/42/496851042.db2.gz	KQDVBBYYGFAUIR-UHFFFAOYSA-N	1	3	356.558	3.456	20	30		FGEDHO
CC[N@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279644736	497496400	/nfs/dbraw/zinc/49/64/00/497496400.db2.gz	WZQWHXWQPQTLJH-NRFANRHFSA-N	1	3	360.461	3.009	20	30		FGEDHO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279644736	497496402	/nfs/dbraw/zinc/49/64/02/497496402.db2.gz	WZQWHXWQPQTLJH-NRFANRHFSA-N	1	3	360.461	3.009	20	30		FGEDHO
CCc1cccc(NC(=[NH2+])NCc2ccccc2CN2CCC(O)CC2)c1	ZINC000267406204	497544563	/nfs/dbraw/zinc/54/45/63/497544563.db2.gz	HEEUEGFHINTOOU-UHFFFAOYSA-N	1	3	366.509	3.133	20	30		FGEDHO
CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1	ZINC000576436587	506157940	/nfs/dbraw/zinc/15/79/40/506157940.db2.gz	WXRPAZXGJHHCIO-DEOSSOPVSA-N	1	3	374.532	3.473	20	30		FGEDHO
C=C(C)[C@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000423049698	500335786	/nfs/dbraw/zinc/33/57/86/500335786.db2.gz	KGIOCFRIFWQYHQ-KDOFPFPSSA-N	1	3	366.452	3.493	20	30		FGEDHO
CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C#N)cc1OC	ZINC000482141651	501987748	/nfs/dbraw/zinc/98/77/48/501987748.db2.gz	KJJIBUQPPQYJQZ-RBUKOAKNSA-N	1	3	359.514	3.436	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(C#N)cc1	ZINC000482148107	501990513	/nfs/dbraw/zinc/99/05/13/501990513.db2.gz	YMMHRCVPBGTMIL-QUCCMNQESA-N	1	3	356.514	3.377	20	30		FGEDHO
N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891942	504945028	/nfs/dbraw/zinc/94/50/28/504945028.db2.gz	GYBMBHHMYDUUDO-NJDAHSKKSA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891942	504945030	/nfs/dbraw/zinc/94/50/30/504945030.db2.gz	GYBMBHHMYDUUDO-NJDAHSKKSA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891942	504945032	/nfs/dbraw/zinc/94/50/32/504945032.db2.gz	GYBMBHHMYDUUDO-NJDAHSKKSA-N	1	3	353.510	3.197	20	30		FGEDHO
N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)c1	ZINC000593323031	506540065	/nfs/dbraw/zinc/54/00/65/506540065.db2.gz	ONDGLCRJQPBIQS-DNVJHFABSA-N	1	3	366.553	3.423	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716348	507078767	/nfs/dbraw/zinc/07/87/67/507078767.db2.gz	KPKDVSVCBLCXTK-DBXWQHBBSA-N	1	3	355.526	3.309	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594441533	507135832	/nfs/dbraw/zinc/13/58/32/507135832.db2.gz	SJMUTTFEHKFXGB-YLJYHZDGSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594441533	507135835	/nfs/dbraw/zinc/13/58/35/507135835.db2.gz	SJMUTTFEHKFXGB-YLJYHZDGSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H](NCCOCC[NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	ZINC000611388479	507657934	/nfs/dbraw/zinc/65/79/34/507657934.db2.gz	INUXKJHFNJIXEU-QZTJIDSGSA-N	1	3	362.477	3.448	20	30		FGEDHO
C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@H](N2CCCCC2)C1	ZINC000086506087	700371889	/nfs/dbraw/zinc/37/18/89/700371889.db2.gz	MQLKDNSYSCNQRI-HNNXBMFYSA-N	1	3	363.575	3.076	20	30		FGEDHO
C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC	ZINC000623356354	715317875	/nfs/dbraw/zinc/31/78/75/715317875.db2.gz	KWLANJPWVMSVHX-AWEZNQCLSA-N	1	3	350.890	3.487	20	30		FGEDHO
CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000072725067	494241557	/nfs/dbraw/zinc/24/15/57/494241557.db2.gz	LDNUFEXUHJVFPY-QGZVFWFLSA-N	1	3	362.905	3.346	20	30		FGEDHO
CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000072725067	494241560	/nfs/dbraw/zinc/24/15/60/494241560.db2.gz	LDNUFEXUHJVFPY-QGZVFWFLSA-N	1	3	362.905	3.346	20	30		FGEDHO
C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)c1ccc(C#N)cc1	ZINC000092821049	494763621	/nfs/dbraw/zinc/76/36/21/494763621.db2.gz	JABCRWGDIWHWEY-QFIPXVFZSA-N	1	3	364.493	3.225	20	30		FGEDHO
C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)c1ccc(C#N)cc1	ZINC000092821049	494763632	/nfs/dbraw/zinc/76/36/32/494763632.db2.gz	JABCRWGDIWHWEY-QFIPXVFZSA-N	1	3	364.493	3.225	20	30		FGEDHO
CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000175013448	496207298	/nfs/dbraw/zinc/20/72/98/496207298.db2.gz	FMVOPHHMJAFZHS-UXHICEINSA-N	1	3	351.498	3.426	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000280157267	497666594	/nfs/dbraw/zinc/66/65/94/497666594.db2.gz	WVLNNTXSRPMRSX-FFZOFVMBSA-N	1	3	364.493	3.010	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000280157267	497666596	/nfs/dbraw/zinc/66/65/96/497666596.db2.gz	WVLNNTXSRPMRSX-FFZOFVMBSA-N	1	3	364.493	3.010	20	30		FGEDHO
CC[NH+](CC)Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000280891694	497939079	/nfs/dbraw/zinc/93/90/79/497939079.db2.gz	SJJMCGXQXKEBOL-QFIPXVFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218085	498605458	/nfs/dbraw/zinc/60/54/58/498605458.db2.gz	VAANSUXSXNVPRI-JWWGGVBKSA-N	1	3	364.493	3.104	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218085	498605460	/nfs/dbraw/zinc/60/54/60/498605460.db2.gz	VAANSUXSXNVPRI-JWWGGVBKSA-N	1	3	364.493	3.104	20	30		FGEDHO
CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090684	502227285	/nfs/dbraw/zinc/22/72/85/502227285.db2.gz	PLMYZNXLJXFYKE-YLJYHZDGSA-N	1	3	366.509	3.257	20	30		FGEDHO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090684	502227291	/nfs/dbraw/zinc/22/72/91/502227291.db2.gz	PLMYZNXLJXFYKE-YLJYHZDGSA-N	1	3	366.509	3.257	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000536703508	503687814	/nfs/dbraw/zinc/68/78/14/503687814.db2.gz	QEWIDSMMTWUXAG-IBGZPJMESA-N	1	3	370.541	3.209	20	30		FGEDHO
CC(C)N1CCCC[C@H]1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000556108992	504798576	/nfs/dbraw/zinc/79/85/76/504798576.db2.gz	DCLBIYQXBNNSDK-QFIPXVFZSA-N	1	3	354.542	3.329	20	30		FGEDHO
CC(C)N1CCCC[C@H]1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000556108992	504798578	/nfs/dbraw/zinc/79/85/78/504798578.db2.gz	DCLBIYQXBNNSDK-QFIPXVFZSA-N	1	3	354.542	3.329	20	30		FGEDHO
N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1	ZINC000593323766	506541641	/nfs/dbraw/zinc/54/16/41/506541641.db2.gz	WRMKNVFREYYWFT-BHDDXSALSA-N	1	3	352.526	3.033	20	30		FGEDHO
CC(C)(C#N)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000594498975	507155883	/nfs/dbraw/zinc/15/58/83/507155883.db2.gz	WLUXJQDWJMKEDP-NHCUHLMSSA-N	1	3	355.526	3.345	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]CC[C@@H](N)Cc3ccccc3)CC2)cc1	ZINC000602020381	507557114	/nfs/dbraw/zinc/55/71/14/507557114.db2.gz	KUBOZYMDQXOSKS-JOCHJYFZSA-N	1	3	362.521	3.072	20	30		FGEDHO
C=CCOc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1	ZINC000077202594	494032443	/nfs/dbraw/zinc/03/24/43/494032443.db2.gz	UJIGKZPXDQIHOX-IBGZPJMESA-N	1	3	374.529	3.131	20	30		FGEDHO
C=CCOc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1	ZINC000077202594	494032448	/nfs/dbraw/zinc/03/24/48/494032448.db2.gz	UJIGKZPXDQIHOX-IBGZPJMESA-N	1	3	374.529	3.131	20	30		FGEDHO
C=CC1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000111256464	495055226	/nfs/dbraw/zinc/05/52/26/495055226.db2.gz	WDPOEBOXVPRXLI-SFHVURJKSA-N	1	3	355.526	3.054	20	30		FGEDHO
CCN1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000113330768	495297929	/nfs/dbraw/zinc/29/79/29/495297929.db2.gz	BKMXXRRPBDQADH-SFHVURJKSA-N	1	3	351.498	3.285	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185719235	495696509	/nfs/dbraw/zinc/69/65/09/495696509.db2.gz	FEUYMSYMMSCAMW-GOEBONIOSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185719235	495696515	/nfs/dbraw/zinc/69/65/15/495696515.db2.gz	FEUYMSYMMSCAMW-GOEBONIOSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(C2CCC2)C1	ZINC000185719235	495696521	/nfs/dbraw/zinc/69/65/21/495696521.db2.gz	FEUYMSYMMSCAMW-GOEBONIOSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1	ZINC000174581671	496020000	/nfs/dbraw/zinc/02/00/00/496020000.db2.gz	PMDCJNTWNMRSLL-IBGZPJMESA-N	1	3	370.541	3.017	20	30		FGEDHO
COc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C#N	ZINC000569112572	505855414	/nfs/dbraw/zinc/85/54/14/505855414.db2.gz	ICTNPBZHPYJWQZ-MRXNPFEDSA-N	1	3	353.466	3.358	20	30		FGEDHO
C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1	ZINC000182028813	496641107	/nfs/dbraw/zinc/64/11/07/496641107.db2.gz	GPSRSQCJEWNLDV-HBGVWJBISA-N	1	3	357.498	3.007	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1	ZINC000572148021	505901032	/nfs/dbraw/zinc/90/10/32/505901032.db2.gz	NJEZAXQAMOMVIR-KVPLUYHFSA-N	1	3	356.489	3.176	20	30		FGEDHO
C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000280603015	497822805	/nfs/dbraw/zinc/82/28/05/497822805.db2.gz	XGBXERIFZMBZID-AVRDEDQJSA-N	1	3	374.488	3.267	20	30		FGEDHO
C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000280603015	497822812	/nfs/dbraw/zinc/82/28/12/497822812.db2.gz	XGBXERIFZMBZID-AVRDEDQJSA-N	1	3	374.488	3.267	20	30		FGEDHO
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000280615328	497826570	/nfs/dbraw/zinc/82/65/70/497826570.db2.gz	KMGOJSWJAHJTRO-UGKGYDQZSA-N	1	3	357.542	3.288	20	30		FGEDHO
Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422980670	500326341	/nfs/dbraw/zinc/32/63/41/500326341.db2.gz	QKXDVAXLDFJRFG-CRAIPNDOSA-N	1	3	367.472	3.179	20	30		FGEDHO
CCN1CCC(Nc2nc(C)cc(NC3CC[NH+](CC)CC3)c2C#N)CC1	ZINC000596061121	506235213	/nfs/dbraw/zinc/23/52/13/506235213.db2.gz	CMZNQLCUEDZFEB-UHFFFAOYSA-N	1	3	370.545	3.054	20	30		FGEDHO
CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000532589598	504704159	/nfs/dbraw/zinc/70/41/59/504704159.db2.gz	YTXSKISQHKEKOZ-YOEHRIQHSA-N	1	3	362.905	3.345	20	30		FGEDHO
CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000532589598	504704161	/nfs/dbraw/zinc/70/41/61/504704161.db2.gz	YTXSKISQHKEKOZ-YOEHRIQHSA-N	1	3	362.905	3.345	20	30		FGEDHO
CC(C)CN1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000557394196	505124071	/nfs/dbraw/zinc/12/40/71/505124071.db2.gz	LRGQYFAZUMYGQL-FQEVSTJZSA-N	1	3	354.542	3.485	20	30		FGEDHO
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000558788591	505492445	/nfs/dbraw/zinc/49/24/45/505492445.db2.gz	VRGQDMUTWOPYJZ-FKBYEOEOSA-N	1	3	353.510	3.293	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@H](O)CC2(C#N)CC2)C1	ZINC000600716387	507078820	/nfs/dbraw/zinc/07/88/20/507078820.db2.gz	KYYCKARGMQSFPH-LVCYWYKZSA-N	1	3	355.526	3.309	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@H](O)CC2(C#N)CC2)C1	ZINC000600716387	507078827	/nfs/dbraw/zinc/07/88/27/507078827.db2.gz	KYYCKARGMQSFPH-LVCYWYKZSA-N	1	3	355.526	3.309	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccccc2Br)CC1	ZINC000819024278	727339288	/nfs/dbraw/zinc/33/92/88/727339288.db2.gz	NGWTXHCUDICVRE-KRWDZBQOSA-N	1	3	353.304	3.113	20	30		FGEDHO
CSC1(CNCc2cc(C#N)ccc2Br)CC[NH+](C)CC1	ZINC000922139613	758858415	/nfs/dbraw/zinc/85/84/15/758858415.db2.gz	OWLWETLSFXZKNO-UHFFFAOYSA-N	1	3	368.344	3.238	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1	ZINC000050032941	493893433	/nfs/dbraw/zinc/89/34/33/493893433.db2.gz	LYBDDRMFFQBLMU-LJQANCHMSA-N	1	3	367.537	3.022	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1	ZINC000050032941	493893438	/nfs/dbraw/zinc/89/34/38/493893438.db2.gz	LYBDDRMFFQBLMU-LJQANCHMSA-N	1	3	367.537	3.022	20	30		FGEDHO
C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCC[N@H+]1C	ZINC000125322653	495426233	/nfs/dbraw/zinc/42/62/33/495426233.db2.gz	BPNNSEPCFWJMCM-KRWDZBQOSA-N	1	3	363.575	3.069	20	30		FGEDHO
C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H]1CCC[N@@H+]1C	ZINC000125322653	495426236	/nfs/dbraw/zinc/42/62/36/495426236.db2.gz	BPNNSEPCFWJMCM-KRWDZBQOSA-N	1	3	363.575	3.069	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1	ZINC000106259915	495439709	/nfs/dbraw/zinc/43/97/09/495439709.db2.gz	QAGHWPCEMZFACY-FQEVSTJZSA-N	1	3	364.578	3.083	20	30		FGEDHO
CN(C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C	ZINC000179896187	495774530	/nfs/dbraw/zinc/77/45/30/495774530.db2.gz	HILOFEWAKZCUDQ-RTBURBONSA-N	1	3	356.514	3.010	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000177508209	496090807	/nfs/dbraw/zinc/09/08/07/496090807.db2.gz	RABKUBGDIQYTKP-KDURUIRLSA-N	1	3	371.525	3.148	20	30		FGEDHO
CN(C)Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1	ZINC000181416278	496385909	/nfs/dbraw/zinc/38/59/09/496385909.db2.gz	XMXYEWLUQHQQPD-UHFFFAOYSA-N	1	3	362.521	3.374	20	30		FGEDHO
C=CCN1CCC(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1	ZINC000184561700	496439895	/nfs/dbraw/zinc/43/98/95/496439895.db2.gz	CJVXMXAUVISLDD-NRFANRHFSA-N	1	3	372.557	3.093	20	30		FGEDHO
C=CCN1CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1	ZINC000184561700	496439897	/nfs/dbraw/zinc/43/98/97/496439897.db2.gz	CJVXMXAUVISLDD-NRFANRHFSA-N	1	3	372.557	3.093	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000248611976	497056222	/nfs/dbraw/zinc/05/62/22/497056222.db2.gz	XTWLDCOXAHCGTN-KAGYGMCKSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000248611976	497056227	/nfs/dbraw/zinc/05/62/27/497056227.db2.gz	XTWLDCOXAHCGTN-KAGYGMCKSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000248611976	497056233	/nfs/dbraw/zinc/05/62/33/497056233.db2.gz	XTWLDCOXAHCGTN-KAGYGMCKSA-N	1	3	372.553	3.397	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752630	497720370	/nfs/dbraw/zinc/72/03/70/497720370.db2.gz	NYWYSYYIBTZIHD-QRWLVFNGSA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752630	497720372	/nfs/dbraw/zinc/72/03/72/497720372.db2.gz	NYWYSYYIBTZIHD-QRWLVFNGSA-N	1	3	353.441	3.115	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000284215857	499069840	/nfs/dbraw/zinc/06/98/40/499069840.db2.gz	ZSQPWROGNTYSMQ-UHFFFAOYSA-N	1	3	368.481	3.095	20	30		FGEDHO
CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000411752604	499786662	/nfs/dbraw/zinc/78/66/62/499786662.db2.gz	DKWQDYIYLQLWHI-FQEVSTJZSA-N	1	3	356.514	3.000	20	30		FGEDHO
C[C@H](CCC#N)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2	ZINC000602677995	506258421	/nfs/dbraw/zinc/25/84/21/506258421.db2.gz	ZAMXJNYAKMTOBE-CTNGQTDRSA-N	1	3	355.526	3.445	20	30		FGEDHO
CC(C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000470808314	501811467	/nfs/dbraw/zinc/81/14/67/501811467.db2.gz	NZUSPXFDYXJQEZ-LEWJYISDSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872899	502162071	/nfs/dbraw/zinc/16/20/71/502162071.db2.gz	RMAGGSNSBAECGJ-QKLQHJQFSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872899	502162074	/nfs/dbraw/zinc/16/20/74/502162074.db2.gz	RMAGGSNSBAECGJ-QKLQHJQFSA-N	1	3	366.509	3.113	20	30		FGEDHO
Cc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N	ZINC000599307568	506405641	/nfs/dbraw/zinc/40/56/41/506405641.db2.gz	UNDHKWVCGOKLAL-UHFFFAOYSA-N	1	3	368.569	3.495	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC(C)CC1	ZINC000305256468	713792954	/nfs/dbraw/zinc/79/29/54/713792954.db2.gz	WPFSKDQZDVCCNE-CYBMUJFWSA-N	1	3	358.408	3.432	20	30		FGEDHO
C[NH+]1CCC(CNCc2cc(C#N)cnc2Cl)(c2ccccc2)CC1	ZINC000877718599	736709834	/nfs/dbraw/zinc/70/98/34/736709834.db2.gz	NJSSETHYFADTBM-UHFFFAOYSA-N	1	3	354.885	3.360	20	30		FGEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1	ZINC000067453128	494544254	/nfs/dbraw/zinc/54/42/54/494544254.db2.gz	REASGIBRKPVTAH-KDURUIRLSA-N	1	3	358.530	3.015	20	30		FGEDHO
C=C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000122218413	494942187	/nfs/dbraw/zinc/94/21/87/494942187.db2.gz	WLKRVOJWSKDRAA-SFHVURJKSA-N	1	3	355.526	3.021	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1	ZINC000106034053	495404888	/nfs/dbraw/zinc/40/48/88/495404888.db2.gz	ZCPPNIBPAKNDGR-LJQANCHMSA-N	1	3	373.516	3.194	20	30		FGEDHO
C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CCCCC1	ZINC000180068835	495844399	/nfs/dbraw/zinc/84/43/99/495844399.db2.gz	CWIHWEGPWYORTM-QGZVFWFLSA-N	1	3	351.498	3.170	20	30		FGEDHO
C[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCCC1	ZINC000183226400	495888391	/nfs/dbraw/zinc/88/83/91/495888391.db2.gz	QXMIZEFIXKBWBG-IBGZPJMESA-N	1	3	354.542	3.377	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000177488894	496083225	/nfs/dbraw/zinc/08/32/25/496083225.db2.gz	RUYCGUNHOXUFDV-KDURUIRLSA-N	1	3	371.525	3.148	20	30		FGEDHO
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC[C@H](O)c1ccc(C#N)cc1	ZINC000189949852	497304079	/nfs/dbraw/zinc/30/40/79/497304079.db2.gz	FZXNIYWCHOHHFU-SPEDKVCISA-N	1	3	363.505	3.338	20	30		FGEDHO
C[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000280831506	497915387	/nfs/dbraw/zinc/91/53/87/497915387.db2.gz	OEULTUVQYKOTGL-IBGZPJMESA-N	1	3	352.482	3.011	20	30		FGEDHO
C[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000280831506	497915392	/nfs/dbraw/zinc/91/53/92/497915392.db2.gz	OEULTUVQYKOTGL-IBGZPJMESA-N	1	3	352.482	3.011	20	30		FGEDHO
N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000312856535	498763005	/nfs/dbraw/zinc/76/30/05/498763005.db2.gz	GYFASLGFVKNTNM-YADHBBJMSA-N	1	3	361.489	3.391	20	30		FGEDHO
N#Cc1ccccc1OCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000312856535	498763010	/nfs/dbraw/zinc/76/30/10/498763010.db2.gz	GYFASLGFVKNTNM-YADHBBJMSA-N	1	3	361.489	3.391	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)cc1	ZINC000369627136	499428265	/nfs/dbraw/zinc/42/82/65/499428265.db2.gz	DKYGFXAIPFTCBH-VQTJNVASSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000369627136	499428266	/nfs/dbraw/zinc/42/82/66/499428266.db2.gz	DKYGFXAIPFTCBH-VQTJNVASSA-N	1	3	364.493	3.154	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C#N)c(F)c1	ZINC000375461993	499521741	/nfs/dbraw/zinc/52/17/41/499521741.db2.gz	KKADGSPKPMEVTE-UHFFFAOYSA-N	1	3	372.532	3.325	20	30		FGEDHO
CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1	ZINC000449082581	500920012	/nfs/dbraw/zinc/92/00/12/500920012.db2.gz	OHIRAWTXCIOEHX-UHFFFAOYSA-N	1	3	354.542	3.386	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872896	502161995	/nfs/dbraw/zinc/16/19/95/502161995.db2.gz	RMAGGSNSBAECGJ-FUHIMQAGSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872896	502161997	/nfs/dbraw/zinc/16/19/97/502161997.db2.gz	RMAGGSNSBAECGJ-FUHIMQAGSA-N	1	3	366.509	3.113	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C(C)C	ZINC000483676623	502459491	/nfs/dbraw/zinc/45/94/91/502459491.db2.gz	BZEJHOHIEBXZJN-HSALFYBXSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C(C)C	ZINC000483676623	502459494	/nfs/dbraw/zinc/45/94/94/502459494.db2.gz	BZEJHOHIEBXZJN-HSALFYBXSA-N	1	3	364.578	3.199	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1sccc1C#N	ZINC000503222209	503370374	/nfs/dbraw/zinc/37/03/74/503370374.db2.gz	LAYATRKSIKAISN-IAGOWNOFSA-N	1	3	362.543	3.439	20	30		FGEDHO
C[C@@H](O)C[C@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469102	503561770	/nfs/dbraw/zinc/56/17/70/503561770.db2.gz	OANMBDTYZPNDLQ-COPRSSIGSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469102	503561773	/nfs/dbraw/zinc/56/17/73/503561773.db2.gz	OANMBDTYZPNDLQ-COPRSSIGSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469102	503561775	/nfs/dbraw/zinc/56/17/75/503561775.db2.gz	OANMBDTYZPNDLQ-COPRSSIGSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469102	503561777	/nfs/dbraw/zinc/56/17/77/503561777.db2.gz	OANMBDTYZPNDLQ-COPRSSIGSA-N	1	3	364.574	3.021	20	30		FGEDHO
C=CCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1	ZINC000543618099	503830341	/nfs/dbraw/zinc/83/03/41/503830341.db2.gz	MTBPKRCCUJMKSA-UHFFFAOYSA-N	1	3	357.542	3.101	20	30		FGEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[N@H+](C)C1CCCCC1	ZINC000546017218	504675889	/nfs/dbraw/zinc/67/58/89/504675889.db2.gz	NSFMUNJOTUCNPG-UHFFFAOYSA-N	1	3	370.541	3.103	20	30		FGEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[N@@H+](C)C1CCCCC1	ZINC000546017218	504675891	/nfs/dbraw/zinc/67/58/91/504675891.db2.gz	NSFMUNJOTUCNPG-UHFFFAOYSA-N	1	3	370.541	3.103	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000598725265	507569795	/nfs/dbraw/zinc/56/97/95/507569795.db2.gz	WRJMXZBKKFBLCZ-XSDIEEQYSA-N	1	3	355.526	3.177	20	30		FGEDHO
C=CCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC	ZINC000093735071	494914530	/nfs/dbraw/zinc/91/45/30/494914530.db2.gz	BQKXHLUJSBRRPH-UHFFFAOYSA-N	1	3	374.525	3.337	20	30		FGEDHO
C=CC[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1	ZINC000171811588	496044997	/nfs/dbraw/zinc/04/49/97/496044997.db2.gz	IJNSIBJGWHVXHF-IBGZPJMESA-N	1	3	369.553	3.096	20	30		FGEDHO
C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCCCC1	ZINC000181539328	496437304	/nfs/dbraw/zinc/43/73/04/496437304.db2.gz	ORGDPIWDZURSHH-IBGZPJMESA-N	1	3	354.542	3.234	20	30		FGEDHO
COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1OCCCC#N	ZINC000194938274	496767443	/nfs/dbraw/zinc/76/74/43/496767443.db2.gz	LTWZRNILVXSRII-UHFFFAOYSA-N	1	3	357.498	3.342	20	30		FGEDHO
CN(C)CCN1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000271054673	497254246	/nfs/dbraw/zinc/25/42/46/497254246.db2.gz	CFXSHPMVSSNLSN-UHFFFAOYSA-N	1	3	354.542	3.006	20	30		FGEDHO
Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290402314	498538243	/nfs/dbraw/zinc/53/82/43/498538243.db2.gz	JNJVUEKWQACLFY-HXUWFJFHSA-N	1	3	363.509	3.122	20	30		FGEDHO
Cn1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290402314	498538246	/nfs/dbraw/zinc/53/82/46/498538246.db2.gz	JNJVUEKWQACLFY-HXUWFJFHSA-N	1	3	363.509	3.122	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340928	499393258	/nfs/dbraw/zinc/39/32/58/499393258.db2.gz	BFJCEVKJQXHHEI-STZQEDGTSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340928	499393259	/nfs/dbraw/zinc/39/32/59/499393259.db2.gz	BFJCEVKJQXHHEI-STZQEDGTSA-N	1	3	371.525	3.348	20	30		FGEDHO
C#CCCOc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000372413340	499432007	/nfs/dbraw/zinc/43/20/07/499432007.db2.gz	KJVXRVMTWNCWHD-UHFFFAOYSA-N	1	3	356.510	3.164	20	30		FGEDHO
C#CCCOc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000372413340	499432009	/nfs/dbraw/zinc/43/20/09/499432009.db2.gz	KJVXRVMTWNCWHD-UHFFFAOYSA-N	1	3	356.510	3.164	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CC2	ZINC000423523372	500381810	/nfs/dbraw/zinc/38/18/10/500381810.db2.gz	IIAKBCXBNWZGOR-QFIPXVFZSA-N	1	3	360.505	3.129	20	30		FGEDHO
C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CCN(CCC)CC1	ZINC000435727681	501019003	/nfs/dbraw/zinc/01/90/03/501019003.db2.gz	DRWVAAJPNYFQHM-IFMALSPDSA-N	1	3	357.542	3.289	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C(C)C	ZINC000483676624	502460016	/nfs/dbraw/zinc/46/00/16/502460016.db2.gz	BZEJHOHIEBXZJN-SLFFLAALSA-N	1	3	364.578	3.199	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C(C)C	ZINC000483676624	502460019	/nfs/dbraw/zinc/46/00/19/502460019.db2.gz	BZEJHOHIEBXZJN-SLFFLAALSA-N	1	3	364.578	3.199	20	30		FGEDHO
C[C@@H](NCC#CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1	ZINC000513415685	502932008	/nfs/dbraw/zinc/93/20/08/502932008.db2.gz	KMOJSYXTNKZDJK-HZPDHXFCSA-N	1	3	372.476	3.444	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000536703509	503688874	/nfs/dbraw/zinc/68/88/74/503688874.db2.gz	QEWIDSMMTWUXAG-LJQANCHMSA-N	1	3	370.541	3.209	20	30		FGEDHO
N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1	ZINC000551072349	505152866	/nfs/dbraw/zinc/15/28/66/505152866.db2.gz	UXVNTDFFZNVYTB-DEOSSOPVSA-N	1	3	374.532	3.340	20	30		FGEDHO
N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1	ZINC000551072349	505152868	/nfs/dbraw/zinc/15/28/68/505152868.db2.gz	UXVNTDFFZNVYTB-DEOSSOPVSA-N	1	3	374.532	3.340	20	30		FGEDHO
CN1CCN(CC2(C)CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1	ZINC000597084334	506764407	/nfs/dbraw/zinc/76/44/07/506764407.db2.gz	YFDVVRWWKHKSDQ-UHFFFAOYSA-N	1	3	366.553	3.091	20	30		FGEDHO
C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1)c1ccccc1	ZINC000594436223	507130897	/nfs/dbraw/zinc/13/08/97/507130897.db2.gz	BWAYIYMAPDQWKX-MJGOQNOKSA-N	1	3	356.514	3.177	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000594440882	507134822	/nfs/dbraw/zinc/13/48/22/507134822.db2.gz	IXBBTELOOZLJHM-DFQSSKMNSA-N	1	3	356.514	3.082	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000594440882	507134826	/nfs/dbraw/zinc/13/48/26/507134826.db2.gz	IXBBTELOOZLJHM-DFQSSKMNSA-N	1	3	356.514	3.082	20	30		FGEDHO
N#Cc1ccc(OCCNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1	ZINC000610271284	507170771	/nfs/dbraw/zinc/17/07/71/507170771.db2.gz	MBESBCSVKOTRPA-UHFFFAOYSA-N	1	3	365.477	3.201	20	30		FGEDHO
C=CCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000568050886	505604122	/nfs/dbraw/zinc/60/41/22/505604122.db2.gz	LHBZMFQEGAGDKU-QGZVFWFLSA-N	1	3	374.492	3.057	20	30		FGEDHO
CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[N@H+](C)C1	ZINC000118842644	495047038	/nfs/dbraw/zinc/04/70/38/495047038.db2.gz	VTTXQWBILJRDLZ-HNNXBMFYSA-N	1	3	374.554	3.101	20	30		FGEDHO
CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[N@@H+](C)C1	ZINC000118842644	495047042	/nfs/dbraw/zinc/04/70/42/495047042.db2.gz	VTTXQWBILJRDLZ-HNNXBMFYSA-N	1	3	374.554	3.101	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185766618	495718959	/nfs/dbraw/zinc/71/89/59/495718959.db2.gz	JHXXREMSGWJFMC-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185766618	495718963	/nfs/dbraw/zinc/71/89/63/495718963.db2.gz	JHXXREMSGWJFMC-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1	ZINC000185766618	495718964	/nfs/dbraw/zinc/71/89/64/495718964.db2.gz	JHXXREMSGWJFMC-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1	ZINC000171811590	496045765	/nfs/dbraw/zinc/04/57/65/496045765.db2.gz	IJNSIBJGWHVXHF-LJQANCHMSA-N	1	3	369.553	3.096	20	30		FGEDHO
C=C(C)COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OC	ZINC000268953804	496832868	/nfs/dbraw/zinc/83/28/68/496832868.db2.gz	FQNHHWKALZVCIE-VQTJNVASSA-N	1	3	374.525	3.118	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1	ZINC000572148025	505901131	/nfs/dbraw/zinc/90/11/31/505901131.db2.gz	NJEZAXQAMOMVIR-RAUXBKROSA-N	1	3	356.489	3.176	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752635	497720390	/nfs/dbraw/zinc/72/03/90/497720390.db2.gz	NYWYSYYIBTZIHD-YWZLYKJASA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752635	497720392	/nfs/dbraw/zinc/72/03/92/497720392.db2.gz	NYWYSYYIBTZIHD-YWZLYKJASA-N	1	3	353.441	3.115	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)c(F)c1	ZINC000579342537	506151856	/nfs/dbraw/zinc/15/18/56/506151856.db2.gz	VRVBZXFYGWONFJ-RYGJVYDSSA-N	1	3	350.441	3.401	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C	ZINC000415948707	499931985	/nfs/dbraw/zinc/93/19/85/499931985.db2.gz	ABNNYIQSXUWWCR-LJQANCHMSA-N	1	3	374.504	3.292	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CCN(C)[C@H](C)C2)n1	ZINC000596148049	506280532	/nfs/dbraw/zinc/28/05/32/506280532.db2.gz	YRAJCWNPSCLAAS-BRSBDYLESA-N	1	3	370.545	3.051	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CCN(C)[C@H](C)C2)n1	ZINC000596148049	506280534	/nfs/dbraw/zinc/28/05/34/506280534.db2.gz	YRAJCWNPSCLAAS-BRSBDYLESA-N	1	3	370.545	3.051	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000554960530	505312549	/nfs/dbraw/zinc/31/25/49/505312549.db2.gz	OFIXRECKBIEVSE-ILWGZMRPSA-N	1	3	367.537	3.029	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000554960530	505312555	/nfs/dbraw/zinc/31/25/55/505312555.db2.gz	OFIXRECKBIEVSE-ILWGZMRPSA-N	1	3	367.537	3.029	20	30		FGEDHO
CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)CC1	ZINC000564690311	505492547	/nfs/dbraw/zinc/49/25/47/505492547.db2.gz	SWIGGPUZANCNAY-HSZRJFAPSA-N	1	3	360.505	3.083	20	30		FGEDHO
CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1	ZINC000594925500	507318140	/nfs/dbraw/zinc/31/81/40/507318140.db2.gz	NEDSVHGOGBBLCG-UHFFFAOYSA-N	1	3	374.532	3.279	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc2)CC1	ZINC000594974234	507338139	/nfs/dbraw/zinc/33/81/39/507338139.db2.gz	IYIQTALOISPFGT-JOCHJYFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc2)CC1	ZINC000594974234	507338146	/nfs/dbraw/zinc/33/81/46/507338146.db2.gz	IYIQTALOISPFGT-JOCHJYFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]CCc3ccc4cn[nH]c4c3)CC2)cc1	ZINC000585765585	507620465	/nfs/dbraw/zinc/62/04/65/507620465.db2.gz	XHALXADVJMYIDC-UHFFFAOYSA-N	1	3	359.477	3.231	20	30		FGEDHO
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000876755490	736140682	/nfs/dbraw/zinc/14/06/82/736140682.db2.gz	LTFVKJHYEMMWLE-KRWDZBQOSA-N	1	3	370.324	3.138	20	30		FGEDHO
C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000876948327	736167109	/nfs/dbraw/zinc/16/71/09/736167109.db2.gz	LQJGTAUDCKXYMO-MRXNPFEDSA-N	1	3	353.919	3.283	20	30		FGEDHO
COCC[N@H+](C)CCCC1CCN(Cc2cc(C#N)ccc2OC)CC1	ZINC000122131814	494929067	/nfs/dbraw/zinc/92/90/67/494929067.db2.gz	TZJCTVODVMPHDG-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COCC[N@@H+](C)CCCC1CCN(Cc2cc(C#N)ccc2OC)CC1	ZINC000122131814	494929070	/nfs/dbraw/zinc/92/90/70/494929070.db2.gz	TZJCTVODVMPHDG-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(Cc3cccs3)C2)cc1	ZINC000104180744	495271106	/nfs/dbraw/zinc/27/11/06/495271106.db2.gz	WGMMZBMSERDIFA-HNNXBMFYSA-N	1	3	358.511	3.396	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1	ZINC000106328666	495444746	/nfs/dbraw/zinc/44/47/46/495444746.db2.gz	IFFDYEVOEYATBY-NRFANRHFSA-N	1	3	372.557	3.191	20	30		FGEDHO
C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000153047780	496335840	/nfs/dbraw/zinc/33/58/40/496335840.db2.gz	UGQIILYECYIBOY-KRWDZBQOSA-N	1	3	361.505	3.353	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000175473994	496406817	/nfs/dbraw/zinc/40/68/17/496406817.db2.gz	NUJPXDINCKDGMV-IBGZPJMESA-N	1	3	372.557	3.237	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1	ZINC000175473994	496406822	/nfs/dbraw/zinc/40/68/22/496406822.db2.gz	NUJPXDINCKDGMV-IBGZPJMESA-N	1	3	372.557	3.237	20	30		FGEDHO
C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc(OCC#N)cc1	ZINC000271814048	497459175	/nfs/dbraw/zinc/45/91/75/497459175.db2.gz	BGTXIIKGOKYBHJ-SFHVURJKSA-N	1	3	367.493	3.423	20	30		FGEDHO
CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)CC1	ZINC000576317114	506128711	/nfs/dbraw/zinc/12/87/11/506128711.db2.gz	RCQGDTLWPZRMGZ-DEOSSOPVSA-N	1	3	374.532	3.473	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1	ZINC000373419061	499468723	/nfs/dbraw/zinc/46/87/23/499468723.db2.gz	UCYHMPVTGORUMI-FGZHOGPDSA-N	1	3	372.472	3.021	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1	ZINC000373419059	499468730	/nfs/dbraw/zinc/46/87/30/499468730.db2.gz	UCYHMPVTGORUMI-FCHUYYIVSA-N	1	3	372.472	3.021	20	30		FGEDHO
C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1	ZINC000414303707	499775711	/nfs/dbraw/zinc/77/57/11/499775711.db2.gz	LWAJCQPECBNPML-QGZVFWFLSA-N	1	3	367.468	3.375	20	30		FGEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cc1F	ZINC000421333394	500019623	/nfs/dbraw/zinc/01/96/23/500019623.db2.gz	NUJBAVGCCKKAJH-UHFFFAOYSA-N	1	3	366.484	3.389	20	30		FGEDHO
CCN1CCN(CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000481916252	501917385	/nfs/dbraw/zinc/91/73/85/501917385.db2.gz	NHYJBGWRVSTMFV-JOCHJYFZSA-N	1	3	354.542	3.333	20	30		FGEDHO
C[C@H](NCC#CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1	ZINC000513415681	502932223	/nfs/dbraw/zinc/93/22/23/502932223.db2.gz	KMOJSYXTNKZDJK-HOTGVXAUSA-N	1	3	372.476	3.444	20	30		FGEDHO
CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C#N)ccc3C)CC2)CC1	ZINC000516581579	503541561	/nfs/dbraw/zinc/54/15/61/503541561.db2.gz	HPPVKRNMCCVVIV-UHFFFAOYSA-N	1	3	354.498	3.002	20	30		FGEDHO
C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1)c1ccccc1	ZINC000594436217	507131047	/nfs/dbraw/zinc/13/10/47/507131047.db2.gz	BWAYIYMAPDQWKX-HKUYNNGSSA-N	1	3	356.514	3.177	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1	ZINC000602535821	507740268	/nfs/dbraw/zinc/74/02/68/507740268.db2.gz	UANSKKUXLAIBGU-FPOVZHCZSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000602535821	507740272	/nfs/dbraw/zinc/74/02/72/507740272.db2.gz	UANSKKUXLAIBGU-FPOVZHCZSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000602535821	507740280	/nfs/dbraw/zinc/74/02/80/507740280.db2.gz	UANSKKUXLAIBGU-FPOVZHCZSA-N	1	3	355.526	3.240	20	30		FGEDHO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000876755492	736140425	/nfs/dbraw/zinc/14/04/25/736140425.db2.gz	LTFVKJHYEMMWLE-QGZVFWFLSA-N	1	3	370.324	3.138	20	30		FGEDHO
CC1(N2CCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000880474727	737178163	/nfs/dbraw/zinc/17/81/63/737178163.db2.gz	LDDYVGZRVKFRNO-UHFFFAOYSA-N	1	3	360.889	3.100	20	30		FGEDHO
C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCCN(C)C)cc1	ZINC000090107092	494443162	/nfs/dbraw/zinc/44/31/62/494443162.db2.gz	CXFNXJWOFXDGRT-KRWDZBQOSA-N	1	3	353.466	3.228	20	30		FGEDHO
COCC[N@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2OC)CC1	ZINC000122058845	494917097	/nfs/dbraw/zinc/91/70/97/494917097.db2.gz	VNAWQAIGJPVCOA-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C#N)cc2OC)CC1	ZINC000122058845	494917101	/nfs/dbraw/zinc/91/71/01/494917101.db2.gz	VNAWQAIGJPVCOA-UHFFFAOYSA-N	1	3	359.514	3.137	20	30		FGEDHO
C[C@H]1CN(CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000177513147	496092707	/nfs/dbraw/zinc/09/27/07/496092707.db2.gz	QJXUCKWVXAMJGV-OALUTQOASA-N	1	3	371.525	3.148	20	30		FGEDHO
CC[NH+](CC)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279572341	497474866	/nfs/dbraw/zinc/47/48/66/497474866.db2.gz	PUJMFHDEZFZVNX-QFIPXVFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000280767810	497889799	/nfs/dbraw/zinc/88/97/99/497889799.db2.gz	DBPRLDHMTRMRFJ-UTKZUKDTSA-N	1	3	374.488	3.486	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1	ZINC000280988074	497977899	/nfs/dbraw/zinc/97/78/99/497977899.db2.gz	MWDLXRWUSCUULW-FPOVZHCZSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000280988074	497977906	/nfs/dbraw/zinc/97/79/06/497977906.db2.gz	MWDLXRWUSCUULW-FPOVZHCZSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342841	499393638	/nfs/dbraw/zinc/39/36/38/499393638.db2.gz	KSJDLWGQZUNEAS-STZQEDGTSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342841	499393640	/nfs/dbraw/zinc/39/36/40/499393640.db2.gz	KSJDLWGQZUNEAS-STZQEDGTSA-N	1	3	370.541	3.015	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1	ZINC000412039127	499815715	/nfs/dbraw/zinc/81/57/15/499815715.db2.gz	LIKWYVMHSBXCDH-UHFFFAOYSA-N	1	3	355.526	3.443	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C	ZINC000415948706	499931989	/nfs/dbraw/zinc/93/19/89/499931989.db2.gz	ABNNYIQSXUWWCR-IBGZPJMESA-N	1	3	374.504	3.292	20	30		FGEDHO
C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422976174	500326133	/nfs/dbraw/zinc/32/61/33/500326133.db2.gz	HXJMBYZAGVLLTJ-NBHGPNQESA-N	1	3	366.484	3.214	20	30		FGEDHO
Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423060500	500336749	/nfs/dbraw/zinc/33/67/49/500336749.db2.gz	OPSOXACWDRTENL-ZCGYKAAXSA-N	1	3	365.481	3.156	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CC2	ZINC000423523351	500381717	/nfs/dbraw/zinc/38/17/17/500381717.db2.gz	IIAKBCXBNWZGOR-JOCHJYFZSA-N	1	3	360.505	3.129	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1	ZINC000515165836	503282692	/nfs/dbraw/zinc/28/26/92/503282692.db2.gz	KKSATTXFTKQSBE-OAQYLSRUSA-N	1	3	358.526	3.151	20	30		FGEDHO
C=CCN(Cc1ccccc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000553084926	504823620	/nfs/dbraw/zinc/82/36/20/504823620.db2.gz	FVHBCAZVESUZLB-UHFFFAOYSA-N	1	3	369.553	3.398	20	30		FGEDHO
N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891941	504945223	/nfs/dbraw/zinc/94/52/23/504945223.db2.gz	GYBMBHHMYDUUDO-HKBOAZHASA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891941	504945227	/nfs/dbraw/zinc/94/52/27/504945227.db2.gz	GYBMBHHMYDUUDO-HKBOAZHASA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891941	504945229	/nfs/dbraw/zinc/94/52/29/504945229.db2.gz	GYBMBHHMYDUUDO-HKBOAZHASA-N	1	3	353.510	3.197	20	30		FGEDHO
Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593323600	506541957	/nfs/dbraw/zinc/54/19/57/506541957.db2.gz	QWKUQDYXFYFRKY-MRXNPFEDSA-N	1	3	363.509	3.036	20	30		FGEDHO
CCCC[N@H+](C)CC1CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000077313198	494055202	/nfs/dbraw/zinc/05/52/02/494055202.db2.gz	DKCZCINNTQMQSI-UHFFFAOYSA-N	1	3	359.514	3.390	20	30		FGEDHO
CCCC[N@@H+](C)CC1CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000077313198	494055205	/nfs/dbraw/zinc/05/52/05/494055205.db2.gz	DKCZCINNTQMQSI-UHFFFAOYSA-N	1	3	359.514	3.390	20	30		FGEDHO
CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000264195585	496834472	/nfs/dbraw/zinc/83/44/72/496834472.db2.gz	HBBGCVJTEIBKLF-UHFFFAOYSA-N	1	3	374.554	3.242	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000280157264	497666288	/nfs/dbraw/zinc/66/62/88/497666288.db2.gz	WVLNNTXSRPMRSX-DBVUQKKJSA-N	1	3	364.493	3.010	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000280157264	497666293	/nfs/dbraw/zinc/66/62/93/497666293.db2.gz	WVLNNTXSRPMRSX-DBVUQKKJSA-N	1	3	364.493	3.010	20	30		FGEDHO
CCCC[N@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281048877	498000309	/nfs/dbraw/zinc/00/03/09/498000309.db2.gz	XVFPLJBJMSXRIQ-OAQYLSRUSA-N	1	3	366.509	3.211	20	30		FGEDHO
CCCC[N@@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281048877	498000316	/nfs/dbraw/zinc/00/03/16/498000316.db2.gz	XVFPLJBJMSXRIQ-OAQYLSRUSA-N	1	3	366.509	3.211	20	30		FGEDHO
C[C@@H]1CN(CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000286234755	498334336	/nfs/dbraw/zinc/33/43/36/498334336.db2.gz	SYEJXVKAXOOLSU-RTBURBONSA-N	1	3	370.541	3.006	20	30		FGEDHO
C[NH+](C)CC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000331900684	498494457	/nfs/dbraw/zinc/49/44/57/498494457.db2.gz	HSUMAYVFHPNFBU-UHFFFAOYSA-N	1	3	374.554	3.101	20	30		FGEDHO
N#Cc1ccccc1OCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000312856530	498764751	/nfs/dbraw/zinc/76/47/51/498764751.db2.gz	GYFASLGFVKNTNM-FGZHOGPDSA-N	1	3	361.489	3.391	20	30		FGEDHO
N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000312856530	498764756	/nfs/dbraw/zinc/76/47/56/498764756.db2.gz	GYFASLGFVKNTNM-FGZHOGPDSA-N	1	3	361.489	3.391	20	30		FGEDHO
C=C(C)[C@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000423049699	500335798	/nfs/dbraw/zinc/33/57/98/500335798.db2.gz	KGIOCFRIFWQYHQ-KSSFIOAISA-N	1	3	366.452	3.493	20	30		FGEDHO
C=CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Cl	ZINC000532120021	504540850	/nfs/dbraw/zinc/54/08/50/504540850.db2.gz	MLPLHTDMQSUEOH-UHFFFAOYSA-N	1	3	352.906	3.230	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1	ZINC000552493032	505502763	/nfs/dbraw/zinc/50/27/63/505502763.db2.gz	RMJVXHLILXTGLQ-UHFFFAOYSA-N	1	3	355.526	3.443	20	30		FGEDHO
CC(C)(C#N)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1	ZINC000594498974	507155183	/nfs/dbraw/zinc/15/51/83/507155183.db2.gz	WLUXJQDWJMKEDP-LEWJYISDSA-N	1	3	355.526	3.345	20	30		FGEDHO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000597942314	507190645	/nfs/dbraw/zinc/19/06/45/507190645.db2.gz	LLDOYUYMHDVGES-AWEZNQCLSA-N	1	3	372.538	3.083	20	30		FGEDHO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000597942314	507190652	/nfs/dbraw/zinc/19/06/52/507190652.db2.gz	LLDOYUYMHDVGES-AWEZNQCLSA-N	1	3	372.538	3.083	20	30		FGEDHO
C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1	ZINC000154328137	705030961	/nfs/dbraw/zinc/03/09/61/705030961.db2.gz	QMPJNCNXQFYZCQ-SFHVURJKSA-N	1	3	365.949	3.496	20	30		FGEDHO
C#CCOc1cccc(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000778163979	724305543	/nfs/dbraw/zinc/30/55/43/724305543.db2.gz	KMPXKTMRYIYKQB-IAGOWNOFSA-N	1	3	364.917	3.331	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1csc(C#N)c1	ZINC000892149652	739970722	/nfs/dbraw/zinc/97/07/22/739970722.db2.gz	FRROPYLTTWBYPJ-UHFFFAOYSA-N	1	3	360.571	3.248	20	30		FGEDHO
C=C(C)CN(CC)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000579790867	505621539	/nfs/dbraw/zinc/62/15/39/505621539.db2.gz	FFOYCTREMNEFOQ-UHFFFAOYSA-N	1	3	369.553	3.399	20	30		FGEDHO
C[C@H]1CN(CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1	ZINC000067453129	494544225	/nfs/dbraw/zinc/54/42/25/494544225.db2.gz	REASGIBRKPVTAH-OALUTQOASA-N	1	3	358.530	3.015	20	30		FGEDHO
C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000186903877	496203723	/nfs/dbraw/zinc/20/37/23/496203723.db2.gz	KTQBASFOCHVKEF-KRWDZBQOSA-N	1	3	370.541	3.035	20	30		FGEDHO
N#CCCNCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000574684967	505831099	/nfs/dbraw/zinc/83/10/99/505831099.db2.gz	XREBSQFHSKMJTA-UHFFFAOYSA-N	1	3	354.420	3.111	20	30		FGEDHO
O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC[NH+](C2CC2)CC1	ZINC000330218608	498066673	/nfs/dbraw/zinc/06/66/73/498066673.db2.gz	JNGOVDUUERXJIV-UHFFFAOYSA-N	1	3	357.498	3.106	20	30		FGEDHO
C[C@@H]1CN(CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000286232922	498332927	/nfs/dbraw/zinc/33/29/27/498332927.db2.gz	SYEJXVKAXOOLSU-KDURUIRLSA-N	1	3	370.541	3.006	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218079	498605982	/nfs/dbraw/zinc/60/59/82/498605982.db2.gz	VAANSUXSXNVPRI-HRQSHJORSA-N	1	3	364.493	3.104	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218079	498605989	/nfs/dbraw/zinc/60/59/89/498605989.db2.gz	VAANSUXSXNVPRI-HRQSHJORSA-N	1	3	364.493	3.104	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340926	499393142	/nfs/dbraw/zinc/39/31/42/499393142.db2.gz	BFJCEVKJQXHHEI-COPCDDAFSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340926	499393144	/nfs/dbraw/zinc/39/31/44/499393144.db2.gz	BFJCEVKJQXHHEI-COPCDDAFSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422976175	500326279	/nfs/dbraw/zinc/32/62/79/500326279.db2.gz	HXJMBYZAGVLLTJ-SCWSEQNSSA-N	1	3	366.484	3.214	20	30		FGEDHO
CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1	ZINC000447533726	500618384	/nfs/dbraw/zinc/61/83/84/500618384.db2.gz	YUALZNASHXQYSD-QFIPXVFZSA-N	1	3	363.509	3.206	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549929	502810275	/nfs/dbraw/zinc/81/02/75/502810275.db2.gz	RORHPZQPCXSQHA-HOCLYGCPSA-N	1	3	353.388	3.059	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549929	502810278	/nfs/dbraw/zinc/81/02/78/502810278.db2.gz	RORHPZQPCXSQHA-HOCLYGCPSA-N	1	3	353.388	3.059	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000562061275	505507502	/nfs/dbraw/zinc/50/75/02/505507502.db2.gz	IYTAMNSAAIIAGH-ILWGZMRPSA-N	1	3	369.553	3.253	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000562061275	505507505	/nfs/dbraw/zinc/50/75/05/505507505.db2.gz	IYTAMNSAAIIAGH-ILWGZMRPSA-N	1	3	369.553	3.253	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000594440885	507135393	/nfs/dbraw/zinc/13/53/93/507135393.db2.gz	IXBBTELOOZLJHM-YZGWKJHDSA-N	1	3	356.514	3.082	20	30		FGEDHO
CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000594440885	507135396	/nfs/dbraw/zinc/13/53/96/507135396.db2.gz	IXBBTELOOZLJHM-YZGWKJHDSA-N	1	3	356.514	3.082	20	30		FGEDHO
CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1	ZINC000591478059	507266113	/nfs/dbraw/zinc/26/61/13/507266113.db2.gz	YUOKBXJFJJNUQZ-UHFFFAOYSA-N	1	3	368.569	3.480	20	30		FGEDHO
CCN1CCC([N@H+]2CCCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1	ZINC000591478059	507266118	/nfs/dbraw/zinc/26/61/18/507266118.db2.gz	YUOKBXJFJJNUQZ-UHFFFAOYSA-N	1	3	368.569	3.480	20	30		FGEDHO
C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065407	507374822	/nfs/dbraw/zinc/37/48/22/507374822.db2.gz	AYEIYWDTNSSZRQ-YWZLYKJASA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065407	507374831	/nfs/dbraw/zinc/37/48/31/507374831.db2.gz	AYEIYWDTNSSZRQ-YWZLYKJASA-N	1	3	353.441	3.115	20	30		FGEDHO
C=CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1	ZINC000615002671	507717841	/nfs/dbraw/zinc/71/78/41/507717841.db2.gz	OQPZAXZSEIJLDR-UHFFFAOYSA-N	1	3	355.526	3.402	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821555	494764087	/nfs/dbraw/zinc/76/40/87/494764087.db2.gz	VNDDOHJYFOQQJR-IBGZPJMESA-N	1	3	372.557	3.433	20	30		FGEDHO
CN(C)CC(C)(C)CNC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1	ZINC000170715491	495578479	/nfs/dbraw/zinc/57/84/79/495578479.db2.gz	CKXYXRMJALLGDR-UHFFFAOYSA-O	1	3	370.542	3.090	20	30		FGEDHO
C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1	ZINC000182028854	496640536	/nfs/dbraw/zinc/64/05/36/496640536.db2.gz	GPSRSQCJEWNLDV-CZAAIQMYSA-N	1	3	357.498	3.007	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912066	497947101	/nfs/dbraw/zinc/94/71/01/497947101.db2.gz	UNYFSCMHYIVACG-YLJYHZDGSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912066	497947108	/nfs/dbraw/zinc/94/71/08/497947108.db2.gz	UNYFSCMHYIVACG-YLJYHZDGSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912061	497947910	/nfs/dbraw/zinc/94/79/10/497947910.db2.gz	UNYFSCMHYIVACG-XLIONFOSSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912061	497947915	/nfs/dbraw/zinc/94/79/15/497947915.db2.gz	UNYFSCMHYIVACG-XLIONFOSSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000411517828	499750419	/nfs/dbraw/zinc/75/04/19/499750419.db2.gz	NQYUAPZEONNAQV-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000411517828	499750421	/nfs/dbraw/zinc/75/04/21/499750421.db2.gz	NQYUAPZEONNAQV-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1	ZINC000411517828	499750422	/nfs/dbraw/zinc/75/04/22/499750422.db2.gz	NQYUAPZEONNAQV-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F	ZINC000414309413	499776412	/nfs/dbraw/zinc/77/64/12/499776412.db2.gz	RHOKUYVVUGDKKN-KRWDZBQOSA-N	1	3	367.468	3.375	20	30		FGEDHO
C=CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1	ZINC000442969533	500655405	/nfs/dbraw/zinc/65/54/05/500655405.db2.gz	SUDHXCXTBZAPER-NFBKMPQASA-N	1	3	367.537	3.055	20	30		FGEDHO
C=CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1	ZINC000442969533	500655408	/nfs/dbraw/zinc/65/54/08/500655408.db2.gz	SUDHXCXTBZAPER-NFBKMPQASA-N	1	3	367.537	3.055	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)C1	ZINC000433347305	500678165	/nfs/dbraw/zinc/67/81/65/500678165.db2.gz	LZDPREJXVQQXOQ-NRSPTQNISA-N	1	3	371.525	3.012	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)C1	ZINC000433347305	500678168	/nfs/dbraw/zinc/67/81/68/500678168.db2.gz	LZDPREJXVQQXOQ-NRSPTQNISA-N	1	3	371.525	3.012	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C	ZINC000455571070	501337367	/nfs/dbraw/zinc/33/73/67/501337367.db2.gz	YEXKWRJOZYAVEE-HXUWFJFHSA-N	1	3	362.562	3.001	20	30		FGEDHO
C=CCSc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000485469230	501830015	/nfs/dbraw/zinc/83/00/15/501830015.db2.gz	UJECIDZMSAWZQG-UHFFFAOYSA-N	1	3	373.566	3.253	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000501071109	502927796	/nfs/dbraw/zinc/92/77/96/502927796.db2.gz	UYCTZCDOGHKKEP-GOSISDBHSA-N	1	3	358.530	3.043	20	30		FGEDHO
[NH2+]=C(NCc1ccc(Cl)s1)NC1CCN(Cc2ccccc2)CC1	ZINC000261978250	713716675	/nfs/dbraw/zinc/71/66/75/713716675.db2.gz	GVYLSOMANRTQOL-UHFFFAOYSA-N	1	3	362.930	3.470	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1	ZINC000106330422	495445730	/nfs/dbraw/zinc/44/57/30/495445730.db2.gz	AUXZXWIGLCVSON-LJQANCHMSA-N	1	3	352.567	3.083	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1	ZINC000106330327	495445983	/nfs/dbraw/zinc/44/59/83/495445983.db2.gz	IUMWWKSKPZDBSE-HXUWFJFHSA-N	1	3	364.578	3.227	20	30		FGEDHO
N#Cc1csc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1	ZINC000177686939	496160692	/nfs/dbraw/zinc/16/06/92/496160692.db2.gz	LDASGHYOHNZUNW-UHFFFAOYSA-N	1	3	368.550	3.307	20	30		FGEDHO
C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000153047871	496335551	/nfs/dbraw/zinc/33/55/51/496335551.db2.gz	UGQIILYECYIBOY-QGZVFWFLSA-N	1	3	361.505	3.353	20	30		FGEDHO
N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675183	498167587	/nfs/dbraw/zinc/16/75/87/498167587.db2.gz	ULOXFQZPDHHFTL-XZOQPEGZSA-N	1	3	361.489	3.190	20	30		FGEDHO
N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675183	498167593	/nfs/dbraw/zinc/16/75/93/498167593.db2.gz	ULOXFQZPDHHFTL-XZOQPEGZSA-N	1	3	361.489	3.190	20	30		FGEDHO
C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1	ZINC000369908115	499149971	/nfs/dbraw/zinc/14/99/71/499149971.db2.gz	JLSSEDGSQAJLQF-GOSISDBHSA-N	1	3	354.542	3.088	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)cc1	ZINC000369627137	499428231	/nfs/dbraw/zinc/42/82/31/499428231.db2.gz	DKYGFXAIPFTCBH-WOJBJXKFSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000369627137	499428233	/nfs/dbraw/zinc/42/82/33/499428233.db2.gz	DKYGFXAIPFTCBH-WOJBJXKFSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000411517825	499750617	/nfs/dbraw/zinc/75/06/17/499750617.db2.gz	NQYUAPZEONNAQV-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000411517825	499750619	/nfs/dbraw/zinc/75/06/19/499750619.db2.gz	NQYUAPZEONNAQV-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1	ZINC000411517825	499750620	/nfs/dbraw/zinc/75/06/20/499750620.db2.gz	NQYUAPZEONNAQV-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000558788585	505492869	/nfs/dbraw/zinc/49/28/69/505492869.db2.gz	VRGQDMUTWOPYJZ-BHDDXSALSA-N	1	3	353.510	3.293	20	30		FGEDHO
C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321358	506538250	/nfs/dbraw/zinc/53/82/50/506538250.db2.gz	IQBWZHYUGPYRRD-FDDCHVKYSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321358	506538253	/nfs/dbraw/zinc/53/82/53/506538253.db2.gz	IQBWZHYUGPYRRD-FDDCHVKYSA-N	1	3	362.521	3.071	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000598730340	507570634	/nfs/dbraw/zinc/57/06/34/507570634.db2.gz	UCLFRRCICGNCMI-VQTJNVASSA-N	1	3	355.526	3.179	20	30		FGEDHO
C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@@H](N2CCCCC2)C1	ZINC000086506088	700371939	/nfs/dbraw/zinc/37/19/39/700371939.db2.gz	MQLKDNSYSCNQRI-OAHLLOKOSA-N	1	3	363.575	3.076	20	30		FGEDHO
CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)CC(C)C	ZINC000303770217	713788086	/nfs/dbraw/zinc/78/80/86/713788086.db2.gz	BQVBRQSDJPPCIJ-MRXNPFEDSA-N	1	3	350.507	3.187	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(F)c(Br)c2)CC1	ZINC000819024772	727339333	/nfs/dbraw/zinc/33/93/33/727339333.db2.gz	VCNMQOVNOGZZMJ-KRWDZBQOSA-N	1	3	371.294	3.252	20	30		FGEDHO
CN(CCC#N)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1	ZINC000069711241	494000834	/nfs/dbraw/zinc/00/08/34/494000834.db2.gz	XVNDJPLKKZWFSH-UHFFFAOYSA-N	1	3	366.509	3.267	20	30		FGEDHO
CCCC[N@H+](C)CC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000109025611	494822824	/nfs/dbraw/zinc/82/28/24/494822824.db2.gz	HTAAWIYZRJMVDB-UHFFFAOYSA-N	1	3	362.543	3.392	20	30		FGEDHO
CCCC[N@@H+](C)CC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000109025611	494822827	/nfs/dbraw/zinc/82/28/27/494822827.db2.gz	HTAAWIYZRJMVDB-UHFFFAOYSA-N	1	3	362.543	3.392	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CC1	ZINC000106341001	495446910	/nfs/dbraw/zinc/44/69/10/495446910.db2.gz	VBKSUCPAQVRIQW-UHFFFAOYSA-N	1	3	364.578	3.180	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1	ZINC000106341001	495446912	/nfs/dbraw/zinc/44/69/12/495446912.db2.gz	VBKSUCPAQVRIQW-UHFFFAOYSA-N	1	3	364.578	3.180	20	30		FGEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1	ZINC000176950765	495854563	/nfs/dbraw/zinc/85/45/63/495854563.db2.gz	GSWCSSWNTRJMPV-UHFFFAOYSA-N	1	3	368.550	3.307	20	30		FGEDHO
CN(CCOCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000178593861	496509396	/nfs/dbraw/zinc/50/93/96/496509396.db2.gz	ABKDUIILYUQSLI-UHFFFAOYSA-N	1	3	362.477	3.010	20	30		FGEDHO
CN(CCOCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000178593861	496509400	/nfs/dbraw/zinc/50/94/00/496509400.db2.gz	ABKDUIILYUQSLI-UHFFFAOYSA-N	1	3	362.477	3.010	20	30		FGEDHO
C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(OCC#N)cc1	ZINC000181827227	496561081	/nfs/dbraw/zinc/56/10/81/496561081.db2.gz	WXBSHIQBAFQZQJ-LJQANCHMSA-N	1	3	370.541	3.190	20	30		FGEDHO
CC(C)(C)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181920999	496600096	/nfs/dbraw/zinc/60/00/96/496600096.db2.gz	XMERIBFMFVXOTJ-UHFFFAOYSA-N	1	3	354.542	3.375	20	30		FGEDHO
CCN1CCN(CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000271093924	497262815	/nfs/dbraw/zinc/26/28/15/497262815.db2.gz	XOJMIIKPXANGSL-UHFFFAOYSA-N	1	3	368.569	3.398	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000280337102	497723871	/nfs/dbraw/zinc/72/38/71/497723871.db2.gz	HNGRRCQDHMICLA-IBGZPJMESA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000373456048	499470869	/nfs/dbraw/zinc/47/08/69/499470869.db2.gz	RUGBVLTUFWOOEG-UXHICEINSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000373456048	499470870	/nfs/dbraw/zinc/47/08/70/499470870.db2.gz	RUGBVLTUFWOOEG-UXHICEINSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1	ZINC000376805134	499635712	/nfs/dbraw/zinc/63/57/12/499635712.db2.gz	SSAPZYSYPFSRBP-ZCLUNYJNSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1	ZINC000376805134	499635714	/nfs/dbraw/zinc/63/57/14/499635714.db2.gz	SSAPZYSYPFSRBP-ZCLUNYJNSA-N	1	3	357.498	3.129	20	30		FGEDHO
C=CCOc1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1	ZINC000415136335	499869384	/nfs/dbraw/zinc/86/93/84/499869384.db2.gz	RRXYAYBPOGCFJD-UHFFFAOYSA-N	1	3	365.521	3.335	20	30		FGEDHO
C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)CCCC#N)C1CCCCC1	ZINC000424151028	500460663	/nfs/dbraw/zinc/46/06/63/500460663.db2.gz	GXXDHPSBFQOJOO-HXUWFJFHSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)CCCC#N)C1CCCCC1	ZINC000424151028	500460664	/nfs/dbraw/zinc/46/06/64/500460664.db2.gz	GXXDHPSBFQOJOO-HXUWFJFHSA-N	1	3	356.514	3.088	20	30		FGEDHO
C=C[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1	ZINC000534694664	504216998	/nfs/dbraw/zinc/21/69/98/504216998.db2.gz	DHXYVSWYDJNUAJ-CTNGQTDRSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=C[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1	ZINC000534694664	504217004	/nfs/dbraw/zinc/21/70/04/504217004.db2.gz	DHXYVSWYDJNUAJ-CTNGQTDRSA-N	1	3	357.542	3.221	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594440524	507132573	/nfs/dbraw/zinc/13/25/73/507132573.db2.gz	DWDLYFUOPKQPJM-FXAWDEMLSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594440524	507132582	/nfs/dbraw/zinc/13/25/82/507132582.db2.gz	DWDLYFUOPKQPJM-FXAWDEMLSA-N	1	3	356.514	3.088	20	30		FGEDHO
N#CCCCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1	ZINC000594436602	507133421	/nfs/dbraw/zinc/13/34/21/507133421.db2.gz	DPNTZMFAINDHSA-FQEVSTJZSA-N	1	3	356.514	3.090	20	30		FGEDHO
CC(C#N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000584139323	507172891	/nfs/dbraw/zinc/17/28/91/507172891.db2.gz	FPMDVGNAOAKDRY-ZDUSSCGKSA-N	1	3	353.388	3.288	20	30		FGEDHO
CC(C#N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000584139323	507172893	/nfs/dbraw/zinc/17/28/93/507172893.db2.gz	FPMDVGNAOAKDRY-ZDUSSCGKSA-N	1	3	353.388	3.288	20	30		FGEDHO
CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602550371	507746665	/nfs/dbraw/zinc/74/66/65/507746665.db2.gz	BKDAPWAYPOKVNZ-HZPDHXFCSA-N	1	3	371.312	3.124	20	30		FGEDHO
COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000185694864	495683857	/nfs/dbraw/zinc/68/38/57/495683857.db2.gz	LMLQPQVGJBTMRD-SJLPKXTDSA-N	1	3	357.498	3.188	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185719252	495695741	/nfs/dbraw/zinc/69/57/41/495695741.db2.gz	FEUYMSYMMSCAMW-GDBMZVCRSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185719252	495695744	/nfs/dbraw/zinc/69/57/44/495695744.db2.gz	FEUYMSYMMSCAMW-GDBMZVCRSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(C2CCC2)C1	ZINC000185719252	495695749	/nfs/dbraw/zinc/69/57/49/495695749.db2.gz	FEUYMSYMMSCAMW-GDBMZVCRSA-N	1	3	360.527	3.191	20	30		FGEDHO
CC(C)N1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180171742	495890542	/nfs/dbraw/zinc/89/05/42/495890542.db2.gz	DJWZRWAOBSWGPX-SFHVURJKSA-N	1	3	351.498	3.169	20	30		FGEDHO
C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000156038648	496140903	/nfs/dbraw/zinc/14/09/03/496140903.db2.gz	SUXUEOMVPPOXQS-QHCPKHFHSA-N	1	3	363.505	3.436	20	30		FGEDHO
C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000156038648	496140906	/nfs/dbraw/zinc/14/09/06/496140906.db2.gz	SUXUEOMVPPOXQS-QHCPKHFHSA-N	1	3	363.505	3.436	20	30		FGEDHO
C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1)C1CCOCC1	ZINC000248946947	497139241	/nfs/dbraw/zinc/13/92/41/497139241.db2.gz	ZKLKWVIXWCHTQH-QUCCMNQESA-N	1	3	371.525	3.348	20	30		FGEDHO
C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1)C1CCOCC1	ZINC000248946947	497139245	/nfs/dbraw/zinc/13/92/45/497139245.db2.gz	ZKLKWVIXWCHTQH-QUCCMNQESA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000245912629	497569243	/nfs/dbraw/zinc/56/92/43/497569243.db2.gz	PMIXGFBXBCWIJD-ZCNNSNEGSA-N	1	3	368.569	3.479	20	30		FGEDHO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000245912629	497569246	/nfs/dbraw/zinc/56/92/46/497569246.db2.gz	PMIXGFBXBCWIJD-ZCNNSNEGSA-N	1	3	368.569	3.479	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1	ZINC000280899230	497941926	/nfs/dbraw/zinc/94/19/26/497941926.db2.gz	SWLYAYLFZITPTC-JOCHJYFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)cc1	ZINC000369627134	499428204	/nfs/dbraw/zinc/42/82/04/499428204.db2.gz	DKYGFXAIPFTCBH-PMACEKPBSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000369627134	499428205	/nfs/dbraw/zinc/42/82/05/499428205.db2.gz	DKYGFXAIPFTCBH-PMACEKPBSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](N)c4ccccc43)C2)c(F)c1	ZINC000579342534	506151869	/nfs/dbraw/zinc/15/18/69/506151869.db2.gz	VRVBZXFYGWONFJ-BEVDRBHNSA-N	1	3	350.441	3.401	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000411517831	499750544	/nfs/dbraw/zinc/75/05/44/499750544.db2.gz	NQYUAPZEONNAQV-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000411517831	499750545	/nfs/dbraw/zinc/75/05/45/499750545.db2.gz	NQYUAPZEONNAQV-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1	ZINC000411517831	499750546	/nfs/dbraw/zinc/75/05/46/499750546.db2.gz	NQYUAPZEONNAQV-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
CC(C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000470808316	501810560	/nfs/dbraw/zinc/81/05/60/501810560.db2.gz	NZUSPXFDYXJQEZ-RTWAWAEBSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000602728058	506275862	/nfs/dbraw/zinc/27/58/62/506275862.db2.gz	HXQAODUIVLZCKH-SFHLNBCPSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000602728058	506275865	/nfs/dbraw/zinc/27/58/65/506275865.db2.gz	HXQAODUIVLZCKH-SFHLNBCPSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000602728058	506275868	/nfs/dbraw/zinc/27/58/68/506275868.db2.gz	HXQAODUIVLZCKH-SFHLNBCPSA-N	1	3	355.526	3.443	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549928	502810142	/nfs/dbraw/zinc/81/01/42/502810142.db2.gz	RORHPZQPCXSQHA-GOEBONIOSA-N	1	3	353.388	3.059	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549928	502810144	/nfs/dbraw/zinc/81/01/44/502810144.db2.gz	RORHPZQPCXSQHA-GOEBONIOSA-N	1	3	353.388	3.059	20	30		FGEDHO
C[N@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000499951178	503519392	/nfs/dbraw/zinc/51/93/92/503519392.db2.gz	RQRDYKRQWVFYSG-UHFFFAOYSA-N	1	3	374.554	3.245	20	30		FGEDHO
C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000499951178	503519404	/nfs/dbraw/zinc/51/94/04/503519404.db2.gz	RQRDYKRQWVFYSG-UHFFFAOYSA-N	1	3	374.554	3.245	20	30		FGEDHO
C=CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1Cl	ZINC000516815550	503592190	/nfs/dbraw/zinc/59/21/90/503592190.db2.gz	VQQDWRNNEBSHOW-UHFFFAOYSA-N	1	3	365.949	3.363	20	30		FGEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c(F)c1	ZINC000532588129	504703845	/nfs/dbraw/zinc/70/38/45/504703845.db2.gz	VGNWZRBHFAFXHB-UHFFFAOYSA-N	1	3	366.484	3.389	20	30		FGEDHO
CC(C)N1CCCC[C@@H]1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000556108991	504798984	/nfs/dbraw/zinc/79/89/84/504798984.db2.gz	DCLBIYQXBNNSDK-JOCHJYFZSA-N	1	3	354.542	3.329	20	30		FGEDHO
CC(C)N1CCCC[C@@H]1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000556108991	504798988	/nfs/dbraw/zinc/79/89/88/504798988.db2.gz	DCLBIYQXBNNSDK-JOCHJYFZSA-N	1	3	354.542	3.329	20	30		FGEDHO
N#Cc1cccc(NC(=O)CC[NH+]2CCC(NCc3ccccc3)CC2)c1	ZINC000595508752	507536509	/nfs/dbraw/zinc/53/65/09/507536509.db2.gz	BEEBMHJWAABYSS-UHFFFAOYSA-N	1	3	362.477	3.141	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1	ZINC000602535822	507739941	/nfs/dbraw/zinc/73/99/41/507739941.db2.gz	UANSKKUXLAIBGU-PZJWPPBQSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000602535822	507739945	/nfs/dbraw/zinc/73/99/45/507739945.db2.gz	UANSKKUXLAIBGU-PZJWPPBQSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000602535822	507739951	/nfs/dbraw/zinc/73/99/51/507739951.db2.gz	UANSKKUXLAIBGU-PZJWPPBQSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC[C@H](C)C1	ZINC000305240053	713792847	/nfs/dbraw/zinc/79/28/47/713792847.db2.gz	QRBJBMKSFIRDAX-QWHCGFSZSA-N	1	3	358.408	3.432	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185766635	495719056	/nfs/dbraw/zinc/71/90/56/495719056.db2.gz	JHXXREMSGWJFMC-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185766635	495719057	/nfs/dbraw/zinc/71/90/57/495719057.db2.gz	JHXXREMSGWJFMC-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(C2CCC2)C1	ZINC000185766635	495719060	/nfs/dbraw/zinc/71/90/60/495719060.db2.gz	JHXXREMSGWJFMC-AEFFLSMTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1	ZINC000172185562	496200023	/nfs/dbraw/zinc/20/00/23/496200023.db2.gz	AYESYVVFSNVFBQ-SFHVURJKSA-N	1	3	370.541	3.162	20	30		FGEDHO
C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)C3CCCCC3)CC2)CC1	ZINC000329265116	499087006	/nfs/dbraw/zinc/08/70/06/499087006.db2.gz	FCYURZSULFPKAH-UHFFFAOYSA-N	1	3	364.534	3.038	20	30		FGEDHO
C=CCOc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1	ZINC000415138373	499869001	/nfs/dbraw/zinc/86/90/01/499869001.db2.gz	UYWFXCWLIMWQNZ-UHFFFAOYSA-N	1	3	365.521	3.335	20	30		FGEDHO
CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1	ZINC000447540509	500620369	/nfs/dbraw/zinc/62/03/69/500620369.db2.gz	JIAQWCGPSJWRAP-XPWALMASSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1	ZINC000447540509	500620372	/nfs/dbraw/zinc/62/03/72/500620372.db2.gz	JIAQWCGPSJWRAP-XPWALMASSA-N	1	3	363.505	3.482	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C	ZINC000448462149	500761745	/nfs/dbraw/zinc/76/17/45/500761745.db2.gz	QXCCCJHOYNKWAE-VAMGGRTRSA-N	1	3	364.578	3.057	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C(C)C	ZINC000448462149	500761746	/nfs/dbraw/zinc/76/17/46/500761746.db2.gz	QXCCCJHOYNKWAE-VAMGGRTRSA-N	1	3	364.578	3.057	20	30		FGEDHO
CN(c1ccccc1C[NH2+]CCc1cccc(C#N)c1)C1CCN(C)CC1	ZINC000466424221	502567956	/nfs/dbraw/zinc/56/79/56/502567956.db2.gz	CRJZWAIVIFHPOZ-UHFFFAOYSA-N	1	3	362.521	3.421	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NCc2ccc(OC)c3oc(C(=O)OC)cc32)CC1	ZINC000531381029	504286682	/nfs/dbraw/zinc/28/66/82/504286682.db2.gz	NKEBHOXIUWUSNR-UHFFFAOYSA-N	1	3	372.465	3.358	20	30		FGEDHO
N#CCCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1	ZINC000594438200	507133173	/nfs/dbraw/zinc/13/31/73/507133173.db2.gz	NDWXLQTVCQVNPK-FQEVSTJZSA-N	1	3	356.514	3.090	20	30		FGEDHO
CN1CCC(N2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)CC1	ZINC000611255172	507583629	/nfs/dbraw/zinc/58/36/29/507583629.db2.gz	VDCOJZPTXNCPJB-WQMHRJNTSA-N	1	3	366.553	3.149	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N(CC[NH+](CC)CC)CC(C)C)CC1	ZINC000592351863	507614184	/nfs/dbraw/zinc/61/41/84/507614184.db2.gz	GBGRVJKCZKGXRP-UHFFFAOYSA-N	1	3	352.567	3.036	20	30		FGEDHO
C[C@H](NCCOCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	ZINC000611388481	507656860	/nfs/dbraw/zinc/65/68/60/507656860.db2.gz	INUXKJHFNJIXEU-ROUUACIJSA-N	1	3	362.477	3.448	20	30		FGEDHO
C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC	ZINC000623356355	715317434	/nfs/dbraw/zinc/31/74/34/715317434.db2.gz	KWLANJPWVMSVHX-CQSZACIVSA-N	1	3	350.890	3.487	20	30		FGEDHO
C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1	ZINC000799725026	724087958	/nfs/dbraw/zinc/08/79/58/724087958.db2.gz	CHPKBAIDSDDRMY-KRWDZBQOSA-N	1	3	365.949	3.495	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000106034057	495405055	/nfs/dbraw/zinc/40/50/55/495405055.db2.gz	ZAYOJUPYFSPBEL-HXUWFJFHSA-N	1	3	355.526	3.055	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000106034057	495405058	/nfs/dbraw/zinc/40/50/58/495405058.db2.gz	ZAYOJUPYFSPBEL-HXUWFJFHSA-N	1	3	355.526	3.055	20	30		FGEDHO
COc1ccc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc1C#N	ZINC000174345910	495921736	/nfs/dbraw/zinc/92/17/36/495921736.db2.gz	GCDXAPMXKCCYKR-UHFFFAOYSA-N	1	3	353.466	3.187	20	30		FGEDHO
C=CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000188833827	496923639	/nfs/dbraw/zinc/92/36/39/496923639.db2.gz	OLVIQIFWVIGQSZ-JOCHJYFZSA-N	1	3	369.553	3.411	20	30		FGEDHO
CN1CCC([NH+]2CCC(NCc3cccc(OCCCC#N)c3)CC2)CC1	ZINC000237165707	497199012	/nfs/dbraw/zinc/19/90/12/497199012.db2.gz	IYTUUJGRPOPGOD-UHFFFAOYSA-N	1	3	370.541	3.017	20	30		FGEDHO
COc1cccc(NC(=[NH2+])NCC2CCN(Cc3cccs3)CC2)c1	ZINC000303863619	498723338	/nfs/dbraw/zinc/72/33/38/498723338.db2.gz	AHVYJFHNIMLVOG-UHFFFAOYSA-N	1	3	358.511	3.396	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C#N)cc1	ZINC000371150552	499293823	/nfs/dbraw/zinc/29/38/23/499293823.db2.gz	GCFOJNFOVLGFGK-UHFFFAOYSA-N	1	3	354.542	3.186	20	30		FGEDHO
Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422980673	500326643	/nfs/dbraw/zinc/32/66/43/500326643.db2.gz	QKXDVAXLDFJRFG-YJBOKZPZSA-N	1	3	367.472	3.179	20	30		FGEDHO
CCN1CCC([N@@H+]2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)CC1	ZINC000420974003	500545724	/nfs/dbraw/zinc/54/57/24/500545724.db2.gz	DBDXYBBGFALPOB-UHFFFAOYSA-N	1	3	368.569	3.480	20	30		FGEDHO
CCN1CCC([N@H+]2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)CC1	ZINC000420974003	500545727	/nfs/dbraw/zinc/54/57/27/500545727.db2.gz	DBDXYBBGFALPOB-UHFFFAOYSA-N	1	3	368.569	3.480	20	30		FGEDHO
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1sccc1C#N	ZINC000503222210	503370254	/nfs/dbraw/zinc/37/02/54/503370254.db2.gz	LAYATRKSIKAISN-IRXDYDNUSA-N	1	3	362.543	3.439	20	30		FGEDHO
CN1CCN(CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000535784783	504543410	/nfs/dbraw/zinc/54/34/10/504543410.db2.gz	JEYBBZVBGNSZFM-UHFFFAOYSA-N	1	3	354.542	3.008	20	30		FGEDHO
COCC[C@H]1CCCCN(CC#CC[N@@H+]2CCCC[C@H](CCOC)C2)C1	ZINC000551395928	505217163	/nfs/dbraw/zinc/21/71/63/505217163.db2.gz	WTKMKHIGXHYACE-FGZHOGPDSA-N	1	3	364.574	3.267	20	30		FGEDHO
COCC[C@H]1CCCCN(CC#CC[N@H+]2CCCC[C@H](CCOC)C2)C1	ZINC000551395928	505217164	/nfs/dbraw/zinc/21/71/64/505217164.db2.gz	WTKMKHIGXHYACE-FGZHOGPDSA-N	1	3	364.574	3.267	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C(C)C	ZINC000567149954	505378059	/nfs/dbraw/zinc/37/80/59/505378059.db2.gz	GXRHFNVZKYHRRL-UYAOXDASSA-N	1	3	364.578	3.057	20	30		FGEDHO
N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1	ZINC000593323985	506541984	/nfs/dbraw/zinc/54/19/84/506541984.db2.gz	WRMKNVFREYYWFT-YPAWHYETSA-N	1	3	352.526	3.033	20	30		FGEDHO
N#CCCCC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000594452823	507140234	/nfs/dbraw/zinc/14/02/34/507140234.db2.gz	JXXOQQKQNQLYMC-SFHVURJKSA-N	1	3	360.527	3.224	20	30		FGEDHO
N#Cc1ccccc1N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1	ZINC000873218067	735739270	/nfs/dbraw/zinc/73/92/70/735739270.db2.gz	XZTNGOKWXBYJBW-UHFFFAOYSA-N	1	3	352.507	3.024	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1	ZINC000154652260	495684603	/nfs/dbraw/zinc/68/46/03/495684603.db2.gz	NOBHYHIDMMJHKN-UHFFFAOYSA-N	1	3	374.529	3.097	20	30		FGEDHO
CN(C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C	ZINC000179896209	495774924	/nfs/dbraw/zinc/77/49/24/495774924.db2.gz	HILOFEWAKZCUDQ-MOPGFXCFSA-N	1	3	356.514	3.010	20	30		FGEDHO
C=C(Cl)COc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1	ZINC000151380360	495821349	/nfs/dbraw/zinc/82/13/49/495821349.db2.gz	GQUNCKGOWKBGRD-INIZCTEOSA-N	1	3	352.906	3.315	20	30		FGEDHO
C=CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000188834246	496923133	/nfs/dbraw/zinc/92/31/33/496923133.db2.gz	YICXXAVQAHKWPJ-NRFANRHFSA-N	1	3	355.526	3.021	20	30		FGEDHO
CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1	ZINC000278771300	497215058	/nfs/dbraw/zinc/21/50/58/497215058.db2.gz	PGSJNKAEPGXPSD-OAQYLSRUSA-N	1	3	364.493	3.091	20	30		FGEDHO
CCCC[N@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281048873	498001436	/nfs/dbraw/zinc/00/14/36/498001436.db2.gz	XVFPLJBJMSXRIQ-NRFANRHFSA-N	1	3	366.509	3.211	20	30		FGEDHO
CCCC[N@@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000281048873	498001438	/nfs/dbraw/zinc/00/14/38/498001438.db2.gz	XVFPLJBJMSXRIQ-NRFANRHFSA-N	1	3	366.509	3.211	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218090	498605700	/nfs/dbraw/zinc/60/57/00/498605700.db2.gz	VAANSUXSXNVPRI-KJNZLNQQSA-N	1	3	364.493	3.104	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218090	498605706	/nfs/dbraw/zinc/60/57/06/498605706.db2.gz	VAANSUXSXNVPRI-KJNZLNQQSA-N	1	3	364.493	3.104	20	30		FGEDHO
CN(CCCSCC#N)[C@@H]1CCC[N@H+](CCCSCC#N)CC1	ZINC000372887382	499189819	/nfs/dbraw/zinc/18/98/19/499189819.db2.gz	ZJFWYPWITYTLIY-QGZVFWFLSA-N	1	3	354.589	3.066	20	30		FGEDHO
CN(CCCSCC#N)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1	ZINC000372887382	499189820	/nfs/dbraw/zinc/18/98/20/499189820.db2.gz	ZJFWYPWITYTLIY-QGZVFWFLSA-N	1	3	354.589	3.066	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC	ZINC000367611354	499217370	/nfs/dbraw/zinc/21/73/70/499217370.db2.gz	BUWTXQTYKAADTF-MKXGPGLRSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC	ZINC000367611354	499217371	/nfs/dbraw/zinc/21/73/71/499217371.db2.gz	BUWTXQTYKAADTF-MKXGPGLRSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OC	ZINC000367611354	499217373	/nfs/dbraw/zinc/21/73/73/499217373.db2.gz	BUWTXQTYKAADTF-MKXGPGLRSA-N	1	3	357.498	3.339	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1	ZINC000376805133	499635794	/nfs/dbraw/zinc/63/57/94/499635794.db2.gz	SSAPZYSYPFSRBP-SQBLYHGDSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1	ZINC000376805133	499635795	/nfs/dbraw/zinc/63/57/95/499635795.db2.gz	SSAPZYSYPFSRBP-SQBLYHGDSA-N	1	3	357.498	3.129	20	30		FGEDHO
CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1	ZINC000447540505	500620550	/nfs/dbraw/zinc/62/05/50/500620550.db2.gz	JIAQWCGPSJWRAP-RJGXRXQPSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1	ZINC000447540505	500620553	/nfs/dbraw/zinc/62/05/53/500620553.db2.gz	JIAQWCGPSJWRAP-RJGXRXQPSA-N	1	3	363.505	3.482	20	30		FGEDHO
C[NH+](C)Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1	ZINC000433328652	500673302	/nfs/dbraw/zinc/67/33/02/500673302.db2.gz	AWNHDSFUGIPHCL-UHFFFAOYSA-N	1	3	374.492	3.210	20	30		FGEDHO
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CCN(CCC)CC1	ZINC000435727682	501018702	/nfs/dbraw/zinc/01/87/02/501018702.db2.gz	DRWVAAJPNYFQHM-IRLDBZIGSA-N	1	3	357.542	3.289	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1	ZINC000543207915	503681163	/nfs/dbraw/zinc/68/11/63/503681163.db2.gz	WDRYLNMVTMJFFZ-KDURUIRLSA-N	1	3	355.526	3.464	20	30		FGEDHO
C=CCc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1O	ZINC000530723025	504065276	/nfs/dbraw/zinc/06/52/76/504065276.db2.gz	JSUPBZKMWQLFPB-IAGOWNOFSA-N	1	3	362.514	3.108	20	30		FGEDHO
C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000560532371	505117570	/nfs/dbraw/zinc/11/75/70/505117570.db2.gz	YXVNRJKRFGOZRX-RTBURBONSA-N	1	3	354.542	3.485	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(C)C	ZINC000567149951	505378000	/nfs/dbraw/zinc/37/80/00/505378000.db2.gz	GXRHFNVZKYHRRL-AZUAARDMSA-N	1	3	364.578	3.057	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594440526	507133104	/nfs/dbraw/zinc/13/31/04/507133104.db2.gz	DWDLYFUOPKQPJM-XLIONFOSSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594440526	507133111	/nfs/dbraw/zinc/13/31/11/507133111.db2.gz	DWDLYFUOPKQPJM-XLIONFOSSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[NH+](C)CCOc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1	ZINC000594499014	507155474	/nfs/dbraw/zinc/15/54/74/507155474.db2.gz	APSBSUABQIADGS-UHFFFAOYSA-N	1	3	352.482	3.113	20	30		FGEDHO
CC(C)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180047421	495836956	/nfs/dbraw/zinc/83/69/56/495836956.db2.gz	XOESHGVLGONONJ-UHFFFAOYSA-N	1	3	351.498	3.169	20	30		FGEDHO
CCCCN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181622546	496474437	/nfs/dbraw/zinc/47/44/37/496474437.db2.gz	MPEHZGLVLZAPKY-UHFFFAOYSA-N	1	3	354.542	3.377	20	30		FGEDHO
CN(C)CC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCC1	ZINC000185292726	496724977	/nfs/dbraw/zinc/72/49/77/496724977.db2.gz	FARJYIZLLVYZPN-UHFFFAOYSA-N	1	3	351.498	3.170	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1	ZINC000267390867	497540433	/nfs/dbraw/zinc/54/04/33/497540433.db2.gz	OOOKPNIMFQJGPL-KDURUIRLSA-N	1	3	371.525	3.300	20	30		FGEDHO
COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCCCC#N	ZINC000289901033	498344191	/nfs/dbraw/zinc/34/41/91/498344191.db2.gz	WSRYCVOULRJGKC-DFNIBXOVSA-N	1	3	357.498	3.435	20	30		FGEDHO
COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCCCC#N	ZINC000289901033	498344196	/nfs/dbraw/zinc/34/41/96/498344196.db2.gz	WSRYCVOULRJGKC-DFNIBXOVSA-N	1	3	357.498	3.435	20	30		FGEDHO
COc1cccc(NC(=[NH2+])NC[C@@H]2CCCN(Cc3cccs3)C2)c1	ZINC000303864996	498723448	/nfs/dbraw/zinc/72/34/48/498723448.db2.gz	BLUIXDMPZSLICT-HNNXBMFYSA-N	1	3	358.511	3.396	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340927	499393404	/nfs/dbraw/zinc/39/34/04/499393404.db2.gz	BFJCEVKJQXHHEI-QIJUGHKUSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340927	499393405	/nfs/dbraw/zinc/39/34/05/499393405.db2.gz	BFJCEVKJQXHHEI-QIJUGHKUSA-N	1	3	371.525	3.348	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1	ZINC000369341716	499393409	/nfs/dbraw/zinc/39/34/09/499393409.db2.gz	GBSQMDNUAVKWOG-STZQEDGTSA-N	1	3	356.510	3.068	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1	ZINC000369341716	499393410	/nfs/dbraw/zinc/39/34/10/499393410.db2.gz	GBSQMDNUAVKWOG-STZQEDGTSA-N	1	3	356.510	3.068	20	30		FGEDHO
CC1(C#N)CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1	ZINC000449224492	500951722	/nfs/dbraw/zinc/95/17/22/500951722.db2.gz	LTKCBZUKUPPTSE-UHFFFAOYSA-N	1	3	368.525	3.074	20	30		FGEDHO
C=C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1	ZINC000534694699	504216763	/nfs/dbraw/zinc/21/67/63/504216763.db2.gz	DHXYVSWYDJNUAJ-TZIWHRDSSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1	ZINC000534694699	504216770	/nfs/dbraw/zinc/21/67/70/504216770.db2.gz	DHXYVSWYDJNUAJ-TZIWHRDSSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C	ZINC000520201300	504434185	/nfs/dbraw/zinc/43/41/85/504434185.db2.gz	IVDOILGXSZCARB-LJQANCHMSA-N	1	3	364.578	3.201	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(C)C	ZINC000520201300	504434188	/nfs/dbraw/zinc/43/41/88/504434188.db2.gz	IVDOILGXSZCARB-LJQANCHMSA-N	1	3	364.578	3.201	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000520692842	504558509	/nfs/dbraw/zinc/55/85/09/504558509.db2.gz	HIOXVVIGQKMKBB-OAQYLSRUSA-N	1	3	372.557	3.409	20	30		FGEDHO
C=CCN1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)CC1	ZINC000521604172	504762981	/nfs/dbraw/zinc/76/29/81/504762981.db2.gz	UWQBNXGLVYITDF-UHFFFAOYSA-N	1	3	372.557	3.190	20	30		FGEDHO
CC[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000593252327	506496369	/nfs/dbraw/zinc/49/63/69/506496369.db2.gz	XFFZMYKBSUWNFX-FQEVSTJZSA-N	1	3	366.509	3.401	20	30		FGEDHO
CC[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000593252327	506496379	/nfs/dbraw/zinc/49/63/79/506496379.db2.gz	XFFZMYKBSUWNFX-FQEVSTJZSA-N	1	3	366.509	3.401	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594440525	507133697	/nfs/dbraw/zinc/13/36/97/507133697.db2.gz	DWDLYFUOPKQPJM-PXNSSMCTSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594440525	507133701	/nfs/dbraw/zinc/13/37/01/507133701.db2.gz	DWDLYFUOPKQPJM-PXNSSMCTSA-N	1	3	356.514	3.088	20	30		FGEDHO
CC(C)(C#N)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000594498977	507155953	/nfs/dbraw/zinc/15/59/53/507155953.db2.gz	WLUXJQDWJMKEDP-SFTDATJTSA-N	1	3	355.526	3.345	20	30		FGEDHO
C#Cc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1	ZINC000809623273	725253138	/nfs/dbraw/zinc/25/31/38/725253138.db2.gz	SAHYYGPMVCXXGI-UHFFFAOYSA-N	1	3	353.897	3.363	20	30		FGEDHO
C=CCC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1	ZINC000121081516	494585423	/nfs/dbraw/zinc/58/54/23/494585423.db2.gz	BOOAWOBIXQCEFL-SFTDATJTSA-N	1	3	355.526	3.218	20	30		FGEDHO
C=CC1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000111256468	495055034	/nfs/dbraw/zinc/05/50/34/495055034.db2.gz	WDPOEBOXVPRXLI-GOSISDBHSA-N	1	3	355.526	3.054	20	30		FGEDHO
C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000130703301	495432007	/nfs/dbraw/zinc/43/20/07/495432007.db2.gz	BBKPPXVMCRCWJW-QGZVFWFLSA-N	1	3	370.541	3.035	20	30		FGEDHO
CC(C)N1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000181699747	496508795	/nfs/dbraw/zinc/50/87/95/496508795.db2.gz	RSAQJQUVVPBRDO-NRFANRHFSA-N	1	3	354.542	3.233	20	30		FGEDHO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000245912626	497568956	/nfs/dbraw/zinc/56/89/56/497568956.db2.gz	PMIXGFBXBCWIJD-AQNXPRMDSA-N	1	3	368.569	3.479	20	30		FGEDHO
C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422976173	500326258	/nfs/dbraw/zinc/32/62/58/500326258.db2.gz	HXJMBYZAGVLLTJ-LRQRDZAKSA-N	1	3	366.484	3.214	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)cc1	ZINC000596058100	506233180	/nfs/dbraw/zinc/23/31/80/506233180.db2.gz	CUCPFRQQSYRPLM-JOCHJYFZSA-N	1	3	366.553	3.234	20	30		FGEDHO
C[C@H](CCC#N)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2	ZINC000602677998	506259050	/nfs/dbraw/zinc/25/90/50/506259050.db2.gz	ZAMXJNYAKMTOBE-TZIWHRDSSA-N	1	3	355.526	3.445	20	30		FGEDHO
COc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1C#N	ZINC000555002554	505325692	/nfs/dbraw/zinc/32/56/92/505325692.db2.gz	CGTNWNCETFBPSG-INIZCTEOSA-N	1	3	353.466	3.358	20	30		FGEDHO
C[C@@H](NCCOCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000558738708	505479034	/nfs/dbraw/zinc/47/90/34/505479034.db2.gz	XTAIGZILAFTEEM-QZTJIDSGSA-N	1	3	362.477	3.448	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@H](O)CC2(C#N)CC2)C1	ZINC000600716385	507079108	/nfs/dbraw/zinc/07/91/08/507079108.db2.gz	KYYCKARGMQSFPH-DBXWQHBBSA-N	1	3	355.526	3.309	20	30		FGEDHO
CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)CC1	ZINC000594445288	507136602	/nfs/dbraw/zinc/13/66/02/507136602.db2.gz	JEAVHGNAOCMRIX-FQEVSTJZSA-N	1	3	356.514	3.311	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000598730341	507570894	/nfs/dbraw/zinc/57/08/94/507570894.db2.gz	UCLFRRCICGNCMI-WOJBJXKFSA-N	1	3	355.526	3.179	20	30		FGEDHO
C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1	ZINC001039133839	766292417	/nfs/dbraw/zinc/29/24/17/766292417.db2.gz	WLCKIWADGBTZEF-GBESFXJTSA-N	1	3	367.965	3.030	20	30		FGEDHO
C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1	ZINC001039133839	766292421	/nfs/dbraw/zinc/29/24/21/766292421.db2.gz	WLCKIWADGBTZEF-GBESFXJTSA-N	1	3	367.965	3.030	20	30		FGEDHO
C[NH+](C)CCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000118868325	495051391	/nfs/dbraw/zinc/05/13/91/495051391.db2.gz	AZIGLHWNZYCQAS-UHFFFAOYSA-N	1	3	374.554	3.101	20	30		FGEDHO
COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000185694879	495683245	/nfs/dbraw/zinc/68/32/45/495683245.db2.gz	LMLQPQVGJBTMRD-WMZOPIPTSA-N	1	3	357.498	3.188	20	30		FGEDHO
COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OCCCC#N	ZINC000174598459	496027549	/nfs/dbraw/zinc/02/75/49/496027549.db2.gz	UJLRXJLOWYEKOI-YQQQUEKLSA-N	1	3	357.498	3.483	20	30		FGEDHO
C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000156038779	496140526	/nfs/dbraw/zinc/14/05/26/496140526.db2.gz	SUXUEOMVPPOXQS-HSZRJFAPSA-N	1	3	363.505	3.436	20	30		FGEDHO
C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000156038779	496140531	/nfs/dbraw/zinc/14/05/31/496140531.db2.gz	SUXUEOMVPPOXQS-HSZRJFAPSA-N	1	3	363.505	3.436	20	30		FGEDHO
CCN(CC)Cc1ccccc1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1	ZINC000264134631	496819890	/nfs/dbraw/zinc/81/98/90/496819890.db2.gz	UXHPXDSOQRQIIK-UHFFFAOYSA-N	1	3	370.497	3.472	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000280157271	497666888	/nfs/dbraw/zinc/66/68/88/497666888.db2.gz	WVLNNTXSRPMRSX-PWIZWCRZSA-N	1	3	364.493	3.010	20	30		FGEDHO
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000280157271	497666894	/nfs/dbraw/zinc/66/68/94/497666894.db2.gz	WVLNNTXSRPMRSX-PWIZWCRZSA-N	1	3	364.493	3.010	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CCN(C)[C@H](C)C2)n1	ZINC000596148051	506279745	/nfs/dbraw/zinc/27/97/45/506279745.db2.gz	YRAJCWNPSCLAAS-TVFCKZIOSA-N	1	3	370.545	3.051	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CCN(C)[C@H](C)C2)n1	ZINC000596148051	506279751	/nfs/dbraw/zinc/27/97/51/506279751.db2.gz	YRAJCWNPSCLAAS-TVFCKZIOSA-N	1	3	370.545	3.051	20	30		FGEDHO
CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1OC	ZINC000482141650	501988195	/nfs/dbraw/zinc/98/81/95/501988195.db2.gz	KJJIBUQPPQYJQZ-OALUTQOASA-N	1	3	359.514	3.436	20	30		FGEDHO
CC(C)CC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472270205	502291995	/nfs/dbraw/zinc/29/19/95/502291995.db2.gz	VCCFHVXNSVQGPT-OAQYLSRUSA-N	1	3	366.509	3.115	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1	ZINC000594440979	507134748	/nfs/dbraw/zinc/13/47/48/507134748.db2.gz	KIPPFECLZNSZIJ-LVCYWYKZSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1	ZINC000594440979	507134751	/nfs/dbraw/zinc/13/47/51/507134751.db2.gz	KIPPFECLZNSZIJ-LVCYWYKZSA-N	1	3	370.541	3.192	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000598594783	507510879	/nfs/dbraw/zinc/51/08/79/507510879.db2.gz	JSSFSHBMYHRXTG-RBBKRZOGSA-N	1	3	355.526	3.275	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000598594783	507510886	/nfs/dbraw/zinc/51/08/86/507510886.db2.gz	JSSFSHBMYHRXTG-RBBKRZOGSA-N	1	3	355.526	3.275	20	30		FGEDHO
N#Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1	ZINC000595896733	507732074	/nfs/dbraw/zinc/73/20/74/507732074.db2.gz	WKLZREBTHCDWFC-XYJFISCASA-N	1	3	367.415	3.295	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC(C)CC1	ZINC000305256469	713792817	/nfs/dbraw/zinc/79/28/17/713792817.db2.gz	WPFSKDQZDVCCNE-ZDUSSCGKSA-N	1	3	358.408	3.432	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@@H](O)c2cccc(Br)c2)CC1	ZINC000819023117	727339389	/nfs/dbraw/zinc/33/93/89/727339389.db2.gz	AXDFZGSAKHJMOT-QGZVFWFLSA-N	1	3	353.304	3.113	20	30		FGEDHO
N#CCCn1cc(C[NH2+]CCCN2CCCCC2)c(-c2ccccc2)n1	ZINC000066236542	494293004	/nfs/dbraw/zinc/29/30/04/494293004.db2.gz	QNYJLKHVKGUVCF-UHFFFAOYSA-N	1	3	351.498	3.429	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1	ZINC000185383896	495557769	/nfs/dbraw/zinc/55/77/69/495557769.db2.gz	JZQHJXZSKWSBOO-UHFFFAOYSA-N	1	3	364.578	3.371	20	30		FGEDHO
CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000173638190	495626986	/nfs/dbraw/zinc/62/69/86/495626986.db2.gz	FBMLZUFPLIJQSH-OAHLLOKOSA-N	1	3	374.554	3.243	20	30		FGEDHO
CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000173638190	495626991	/nfs/dbraw/zinc/62/69/91/495626991.db2.gz	FBMLZUFPLIJQSH-OAHLLOKOSA-N	1	3	374.554	3.243	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185719269	495696369	/nfs/dbraw/zinc/69/63/69/495696369.db2.gz	FEUYMSYMMSCAMW-HOCLYGCPSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185719269	495696375	/nfs/dbraw/zinc/69/63/75/495696375.db2.gz	FEUYMSYMMSCAMW-HOCLYGCPSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(C2CCC2)C1	ZINC000185719269	495696378	/nfs/dbraw/zinc/69/63/78/495696378.db2.gz	FEUYMSYMMSCAMW-HOCLYGCPSA-N	1	3	360.527	3.191	20	30		FGEDHO
N#C[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1	ZINC000185785716	495724954	/nfs/dbraw/zinc/72/49/54/495724954.db2.gz	XTSXAJFHUFVVQP-YADHBBJMSA-N	1	3	354.542	3.256	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1	ZINC000175511338	496421058	/nfs/dbraw/zinc/42/10/58/496421058.db2.gz	ZCPRECGMQDLMJC-UHFFFAOYSA-N	1	3	364.578	3.084	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000248611972	497056568	/nfs/dbraw/zinc/05/65/68/497056568.db2.gz	XTWLDCOXAHCGTN-CZTZKLFOSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000248611972	497056572	/nfs/dbraw/zinc/05/65/72/497056572.db2.gz	XTWLDCOXAHCGTN-CZTZKLFOSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000248611972	497056577	/nfs/dbraw/zinc/05/65/77/497056577.db2.gz	XTWLDCOXAHCGTN-CZTZKLFOSA-N	1	3	372.553	3.397	20	30		FGEDHO
C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377407932	499687889	/nfs/dbraw/zinc/68/78/89/499687889.db2.gz	CTDMVUCMINCBHD-PXNSSMCTSA-N	1	3	359.477	3.206	20	30		FGEDHO
CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3Cl)CC2)CC1	ZINC000420987091	500548760	/nfs/dbraw/zinc/54/87/60/500548760.db2.gz	ZWGTXXAPAQRUFJ-UHFFFAOYSA-N	1	3	360.933	3.204	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000433347306	500677980	/nfs/dbraw/zinc/67/79/80/500677980.db2.gz	LZDPREJXVQQXOQ-TYPHKJRUSA-N	1	3	371.525	3.012	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000433347306	500677984	/nfs/dbraw/zinc/67/79/84/500677984.db2.gz	LZDPREJXVQQXOQ-TYPHKJRUSA-N	1	3	371.525	3.012	20	30		FGEDHO
N#Cc1cccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000602566484	506219801	/nfs/dbraw/zinc/21/98/01/506219801.db2.gz	ICYVESWONOJFOJ-UHFFFAOYSA-N	1	3	364.493	3.114	20	30		FGEDHO
CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)cc(C#N)c3)CC2)CC1	ZINC000563404902	505134161	/nfs/dbraw/zinc/13/41/61/505134161.db2.gz	BUFVWYYRWGYWAP-UHFFFAOYSA-N	1	3	354.498	3.002	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000562061277	505507327	/nfs/dbraw/zinc/50/73/27/505507327.db2.gz	IYTAMNSAAIIAGH-NNWRFLSQSA-N	1	3	369.553	3.253	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000562061277	505507328	/nfs/dbraw/zinc/50/73/28/505507328.db2.gz	IYTAMNSAAIIAGH-NNWRFLSQSA-N	1	3	369.553	3.253	20	30		FGEDHO
N#CCCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1	ZINC000594437690	507133629	/nfs/dbraw/zinc/13/36/29/507133629.db2.gz	KUKTZWMBBJNECH-FQEVSTJZSA-N	1	3	356.514	3.090	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000602546280	507743595	/nfs/dbraw/zinc/74/35/95/507743595.db2.gz	JDCLTNNZUZGMFE-IBGZPJMESA-N	1	3	371.525	3.350	20	30		FGEDHO
CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000113513734	495308148	/nfs/dbraw/zinc/30/81/48/495308148.db2.gz	HIBDQXDTLUCHLN-OAHLLOKOSA-N	1	3	374.554	3.101	20	30		FGEDHO
CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000113513734	495308151	/nfs/dbraw/zinc/30/81/51/495308151.db2.gz	HIBDQXDTLUCHLN-OAHLLOKOSA-N	1	3	374.554	3.101	20	30		FGEDHO
COc1cc(C#N)ccc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000130103370	495342267	/nfs/dbraw/zinc/34/22/67/495342267.db2.gz	RQFNVWWDJHSFGU-UHFFFAOYSA-N	1	3	350.466	3.310	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000106265777	495440548	/nfs/dbraw/zinc/44/05/48/495440548.db2.gz	WNBGQQXKKHDJOP-QZTJIDSGSA-N	1	3	364.578	3.083	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000106275134	495442083	/nfs/dbraw/zinc/44/20/83/495442083.db2.gz	NZFNBKVFRUVXSR-UHFFFAOYSA-N	1	3	370.541	3.122	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000177492676	496084373	/nfs/dbraw/zinc/08/43/73/496084373.db2.gz	SBRMAXBFHIIXJA-UHFFFAOYSA-N	1	3	362.562	3.123	20	30		FGEDHO
CC1(C)CC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC(C)(C)N1	ZINC000181414181	496385570	/nfs/dbraw/zinc/38/55/70/496385570.db2.gz	FYFJAGOYZLAPFS-UHFFFAOYSA-N	1	3	354.542	3.421	20	30		FGEDHO
C=CC[NH+]1CCC(NCc2ccc(OCC(F)(F)F)c(OC)c2)CC1	ZINC000237115213	497193691	/nfs/dbraw/zinc/19/36/91/497193691.db2.gz	NKKZJUDIKLHYSO-UHFFFAOYSA-N	1	3	358.404	3.376	20	30		FGEDHO
C[NH+](C)CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000279375811	497421531	/nfs/dbraw/zinc/42/15/31/497421531.db2.gz	JPDYZVRXAXFSML-UHFFFAOYSA-N	1	3	366.513	3.022	20	30		FGEDHO
CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000532589594	504703752	/nfs/dbraw/zinc/70/37/52/504703752.db2.gz	YTXSKISQHKEKOZ-PBHICJAKSA-N	1	3	362.905	3.345	20	30		FGEDHO
CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000532589594	504703756	/nfs/dbraw/zinc/70/37/56/504703756.db2.gz	YTXSKISQHKEKOZ-PBHICJAKSA-N	1	3	362.905	3.345	20	30		FGEDHO
N#CC1(C[C@H](O)C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1	ZINC000600722385	507082319	/nfs/dbraw/zinc/08/23/19/507082319.db2.gz	PLAUPYGQLSGOCU-SFHVURJKSA-N	1	3	361.917	3.196	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1	ZINC000598593939	507511302	/nfs/dbraw/zinc/51/13/02/507511302.db2.gz	YKGBLFSAIJWLDM-ACRUOGEOSA-N	1	3	355.526	3.274	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1	ZINC000598593939	507511308	/nfs/dbraw/zinc/51/13/08/507511308.db2.gz	YKGBLFSAIJWLDM-ACRUOGEOSA-N	1	3	355.526	3.274	20	30		FGEDHO
C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1	ZINC000154328253	705030887	/nfs/dbraw/zinc/03/08/87/705030887.db2.gz	QMPJNCNXQFYZCQ-GOSISDBHSA-N	1	3	365.949	3.496	20	30		FGEDHO
C=CCN1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000171696954	495993236	/nfs/dbraw/zinc/99/32/36/495993236.db2.gz	NSNCCNJFMDNUQF-UHFFFAOYSA-N	1	3	362.562	3.125	20	30		FGEDHO
C[C@H]1CN(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000156030891	496137885	/nfs/dbraw/zinc/13/78/85/496137885.db2.gz	QIBYCYUSBQLPEH-OALUTQOASA-N	1	3	371.525	3.148	20	30		FGEDHO
N#Cc1csc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1	ZINC000177687095	496160185	/nfs/dbraw/zinc/16/01/85/496160185.db2.gz	JCTCJANTVPWEMD-UHFFFAOYSA-N	1	3	354.523	3.312	20	30		FGEDHO
C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCCCC1	ZINC000181539346	496437601	/nfs/dbraw/zinc/43/76/01/496437601.db2.gz	ORGDPIWDZURSHH-LJQANCHMSA-N	1	3	354.542	3.234	20	30		FGEDHO
C=C(C)CN(CC)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C	ZINC000248392781	496992712	/nfs/dbraw/zinc/99/27/12/496992712.db2.gz	FWRFOUNMGUVAIA-NGRWLJPCSA-N	1	3	357.542	3.157	20	30		FGEDHO
C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCCC1	ZINC000279919773	497589152	/nfs/dbraw/zinc/58/91/52/497589152.db2.gz	KHJAFOISBJEMQE-IBGZPJMESA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@H]([NH2+]C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000280767813	497890228	/nfs/dbraw/zinc/89/02/28/497890228.db2.gz	DBPRLDHMTRMRFJ-UWJYYQICSA-N	1	3	374.488	3.486	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1	ZINC000280899242	497942205	/nfs/dbraw/zinc/94/22/05/497942205.db2.gz	SWLYAYLFZITPTC-QFIPXVFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218097	498605755	/nfs/dbraw/zinc/60/57/55/498605755.db2.gz	VAANSUXSXNVPRI-OVQGTLEDSA-N	1	3	364.493	3.104	20	30		FGEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000332218097	498605761	/nfs/dbraw/zinc/60/57/61/498605761.db2.gz	VAANSUXSXNVPRI-OVQGTLEDSA-N	1	3	364.493	3.104	20	30		FGEDHO
C=CCOc1ccccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000397607963	499564629	/nfs/dbraw/zinc/56/46/29/499564629.db2.gz	QGOQHPYVSIETTH-UHFFFAOYSA-N	1	3	366.505	3.368	20	30		FGEDHO
C=CCOc1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)cc1	ZINC000421377368	500032786	/nfs/dbraw/zinc/03/27/86/500032786.db2.gz	RIYWYAMIYXLQPP-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)cc1	ZINC000421377368	500032788	/nfs/dbraw/zinc/03/27/88/500032788.db2.gz	RIYWYAMIYXLQPP-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cc1	ZINC000421377368	500032790	/nfs/dbraw/zinc/03/27/90/500032790.db2.gz	RIYWYAMIYXLQPP-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=C[C@@H]1OCCC[C@H]1NCc1cc(C[NH2+][C@@H]2CCCO[C@H]2C=C)ccc1F	ZINC000451684521	501349913	/nfs/dbraw/zinc/34/99/13/501349913.db2.gz	VFZOHJFJQHTSFG-CZYKHXBRSA-N	1	3	374.500	3.472	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1	ZINC000455931207	501419200	/nfs/dbraw/zinc/41/92/00/501419200.db2.gz	PHPPXEFALWNBFE-HXUWFJFHSA-N	1	3	356.514	3.398	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)C	ZINC000520704658	504560600	/nfs/dbraw/zinc/56/06/00/504560600.db2.gz	WTDWBVORGSWWHO-QUCCMNQESA-N	1	3	362.562	3.001	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C(C)C	ZINC000520704658	504560606	/nfs/dbraw/zinc/56/06/06/504560606.db2.gz	WTDWBVORGSWWHO-QUCCMNQESA-N	1	3	362.562	3.001	20	30		FGEDHO
C=C(C)COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC	ZINC000539832109	504708999	/nfs/dbraw/zinc/70/89/99/504708999.db2.gz	KNINNSNRLCAWFC-UHFFFAOYSA-N	1	3	362.514	3.193	20	30		FGEDHO
N#CC1(c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)cc2)CC1	ZINC000594931854	507319317	/nfs/dbraw/zinc/31/93/17/507319317.db2.gz	SPKRWCGWWAMXLI-LEWJYISDSA-N	1	3	353.510	3.099	20	30		FGEDHO
CN1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)(N2CCCCC2)CC1	ZINC000611393104	507659375	/nfs/dbraw/zinc/65/93/75/507659375.db2.gz	JQOIRNVOIHKCBI-QFIPXVFZSA-N	1	3	366.553	3.476	20	30		FGEDHO
CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602550369	507745771	/nfs/dbraw/zinc/74/57/71/507745771.db2.gz	BKDAPWAYPOKVNZ-CVEARBPZSA-N	1	3	371.312	3.124	20	30		FGEDHO
C#CCOc1cccc(Cl)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000778163981	724305489	/nfs/dbraw/zinc/30/54/89/724305489.db2.gz	KMPXKTMRYIYKQB-IRXDYDNUSA-N	1	3	364.917	3.331	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccccc2Br)CC1	ZINC000819024279	727339398	/nfs/dbraw/zinc/33/93/98/727339398.db2.gz	NGWTXHCUDICVRE-QGZVFWFLSA-N	1	3	353.304	3.113	20	30		FGEDHO
C=CCc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc(OC)c1O	ZINC000093734998	494914417	/nfs/dbraw/zinc/91/44/17/494914417.db2.gz	VCJLRVJBPRWYPQ-UHFFFAOYSA-N	1	3	374.525	3.206	20	30		FGEDHO
CN(CCC#N)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1	ZINC000180275824	495932301	/nfs/dbraw/zinc/93/23/01/495932301.db2.gz	PSBVLAZVVWHKPZ-UHFFFAOYSA-N	1	3	363.509	3.438	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1	ZINC000182257110	496721190	/nfs/dbraw/zinc/72/11/90/496721190.db2.gz	DNXKQSNFTHIEAV-UTKZUKDTSA-N	1	3	365.477	3.006	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1	ZINC000182257110	496721193	/nfs/dbraw/zinc/72/11/93/496721193.db2.gz	DNXKQSNFTHIEAV-UTKZUKDTSA-N	1	3	365.477	3.006	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1	ZINC000279551871	497470297	/nfs/dbraw/zinc/47/02/97/497470297.db2.gz	OBAYJEJFNWISLY-HXUWFJFHSA-N	1	3	364.493	3.011	20	30		FGEDHO
C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000280615319	497826129	/nfs/dbraw/zinc/82/61/29/497826129.db2.gz	KMGOJSWJAHJTRO-DENIHFKCSA-N	1	3	357.542	3.288	20	30		FGEDHO
C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CCC)CC1	ZINC000435727683	501018883	/nfs/dbraw/zinc/01/88/83/501018883.db2.gz	DRWVAAJPNYFQHM-RBBKRZOGSA-N	1	3	357.542	3.289	20	30		FGEDHO
CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C#N)cc1	ZINC000501080796	502931672	/nfs/dbraw/zinc/93/16/72/502931672.db2.gz	VMNGNFNFMZZFLE-UHFFFAOYSA-N	1	3	356.558	3.432	20	30		FGEDHO
CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C#N)cc1	ZINC000501080796	502931673	/nfs/dbraw/zinc/93/16/73/502931673.db2.gz	VMNGNFNFMZZFLE-UHFFFAOYSA-N	1	3	356.558	3.432	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000595074756	507380241	/nfs/dbraw/zinc/38/02/41/507380241.db2.gz	WFYZJHYXKONKJZ-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000595074756	507380246	/nfs/dbraw/zinc/38/02/46/507380246.db2.gz	WFYZJHYXKONKJZ-GGAORHGYSA-N	1	3	361.489	3.292	20	30		FGEDHO
C=CCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000568050885	505604448	/nfs/dbraw/zinc/60/44/48/505604448.db2.gz	LHBZMFQEGAGDKU-KRWDZBQOSA-N	1	3	374.492	3.057	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1	ZINC000106259918	495439897	/nfs/dbraw/zinc/43/98/97/495439897.db2.gz	QAGHWPCEMZFACY-HXUWFJFHSA-N	1	3	364.578	3.083	20	30		FGEDHO
C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1	ZINC000185811503	495733372	/nfs/dbraw/zinc/73/33/72/495733372.db2.gz	ZKLKWVIXWCHTQH-AZUAARDMSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1	ZINC000185811503	495733380	/nfs/dbraw/zinc/73/33/80/495733380.db2.gz	ZKLKWVIXWCHTQH-AZUAARDMSA-N	1	3	371.525	3.348	20	30		FGEDHO
C=CCN1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1	ZINC000172265021	496235640	/nfs/dbraw/zinc/23/56/40/496235640.db2.gz	ZPLCEYOXNKTQTE-QGZVFWFLSA-N	1	3	358.530	3.065	20	30		FGEDHO
CN(CCOCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1	ZINC000178593837	496509624	/nfs/dbraw/zinc/50/96/24/496509624.db2.gz	GBJPBHTYXIKOMY-UHFFFAOYSA-N	1	3	362.477	3.010	20	30		FGEDHO
CN(CCOCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1	ZINC000178593837	496509628	/nfs/dbraw/zinc/50/96/28/496509628.db2.gz	GBJPBHTYXIKOMY-UHFFFAOYSA-N	1	3	362.477	3.010	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1	ZINC000264888297	497005189	/nfs/dbraw/zinc/00/51/89/497005189.db2.gz	YLTBNUGGLAJTIY-UHFFFAOYSA-N	1	3	367.537	3.024	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1	ZINC000265205871	497071582	/nfs/dbraw/zinc/07/15/82/497071582.db2.gz	SLZCEMANZWLMHB-KNQAVFIVSA-N	1	3	372.557	3.263	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1	ZINC000265205871	497071587	/nfs/dbraw/zinc/07/15/87/497071587.db2.gz	SLZCEMANZWLMHB-KNQAVFIVSA-N	1	3	372.557	3.263	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCCCCC[NH+]2CCCCC2)cc1	ZINC000280648997	497841722	/nfs/dbraw/zinc/84/17/22/497841722.db2.gz	ZZLPIMVUSWESFE-HXUWFJFHSA-N	1	3	352.482	3.013	20	30		FGEDHO
CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000285673256	498168280	/nfs/dbraw/zinc/16/82/80/498168280.db2.gz	ZXGNMFLPGOYXKU-SJPCQFCGSA-N	1	3	360.889	3.097	20	30		FGEDHO
CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000285673256	498168285	/nfs/dbraw/zinc/16/82/85/498168285.db2.gz	ZXGNMFLPGOYXKU-SJPCQFCGSA-N	1	3	360.889	3.097	20	30		FGEDHO
CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(C#N)C3CCCCC3)CC2)CC1	ZINC000576291075	506123420	/nfs/dbraw/zinc/12/34/20/506123420.db2.gz	YBSWOXSJLQHEOL-QFIPXVFZSA-N	1	3	374.573	3.161	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1	ZINC000373451555	499470544	/nfs/dbraw/zinc/47/05/44/499470544.db2.gz	CPSFYQKVQLLMCE-LEWJYISDSA-N	1	3	364.493	3.108	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000373456043	499470827	/nfs/dbraw/zinc/47/08/27/499470827.db2.gz	RUGBVLTUFWOOEG-PMACEKPBSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000373456043	499470828	/nfs/dbraw/zinc/47/08/28/499470828.db2.gz	RUGBVLTUFWOOEG-PMACEKPBSA-N	1	3	364.493	3.154	20	30		FGEDHO
CC[NH+]1CCC(N2CCCN(CC#Cc3ccc(Cl)cc3)CC2)CC1	ZINC000420976245	500545504	/nfs/dbraw/zinc/54/55/04/500545504.db2.gz	GOKCYXUBUTWHSW-UHFFFAOYSA-N	1	3	359.945	3.184	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000611622472	506233607	/nfs/dbraw/zinc/23/36/07/506233607.db2.gz	LHLTUARJGOYJNC-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000611622472	506233614	/nfs/dbraw/zinc/23/36/14/506233614.db2.gz	LHLTUARJGOYJNC-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
C=CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CCC)CC1	ZINC000528447858	504228770	/nfs/dbraw/zinc/22/87/70/504228770.db2.gz	HUSIKNCEBWGHSG-IFMALSPDSA-N	1	3	369.553	3.301	20	30		FGEDHO
C=CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)CC1	ZINC000528447858	504228774	/nfs/dbraw/zinc/22/87/74/504228774.db2.gz	HUSIKNCEBWGHSG-IFMALSPDSA-N	1	3	369.553	3.301	20	30		FGEDHO
C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065404	507374595	/nfs/dbraw/zinc/37/45/95/507374595.db2.gz	AYEIYWDTNSSZRQ-FOIQADDNSA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065404	507374603	/nfs/dbraw/zinc/37/46/03/507374603.db2.gz	AYEIYWDTNSSZRQ-FOIQADDNSA-N	1	3	353.441	3.115	20	30		FGEDHO
N#CCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1	ZINC000136570405	495388078	/nfs/dbraw/zinc/38/80/78/495388078.db2.gz	WOPAGOFXFUFQTC-VXKWHMMOSA-N	1	3	371.525	3.227	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1	ZINC000107385321	495526777	/nfs/dbraw/zinc/52/67/77/495526777.db2.gz	WKKXXJBUMHJZJZ-UHFFFAOYSA-N	1	3	374.529	3.179	20	30		FGEDHO
CN1CCCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000271070892	497258145	/nfs/dbraw/zinc/25/81/45/497258145.db2.gz	LSOFVMAHOZVFEF-UHFFFAOYSA-N	1	3	354.542	3.008	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752620	497720477	/nfs/dbraw/zinc/72/04/77/497720477.db2.gz	NYWYSYYIBTZIHD-FOIQADDNSA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752620	497720480	/nfs/dbraw/zinc/72/04/80/497720480.db2.gz	NYWYSYYIBTZIHD-FOIQADDNSA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896889	497940765	/nfs/dbraw/zinc/94/07/65/497940765.db2.gz	SSXACHAAZRNHRS-UEXGIBASSA-N	1	3	366.509	3.115	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896889	497940768	/nfs/dbraw/zinc/94/07/68/497940768.db2.gz	SSXACHAAZRNHRS-UEXGIBASSA-N	1	3	366.509	3.115	20	30		FGEDHO
COCCN(CCOC)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000285418667	498078841	/nfs/dbraw/zinc/07/88/41/498078841.db2.gz	GLHAIIHJPMUECB-UHFFFAOYSA-N	1	3	373.541	3.047	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1	ZINC000371497097	499334515	/nfs/dbraw/zinc/33/45/15/499334515.db2.gz	IYSIFPMHDDIHNH-DENIHFKCSA-N	1	3	367.537	3.016	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1	ZINC000371497097	499334516	/nfs/dbraw/zinc/33/45/16/499334516.db2.gz	IYSIFPMHDDIHNH-DENIHFKCSA-N	1	3	367.537	3.016	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1	ZINC000376805132	499635695	/nfs/dbraw/zinc/63/56/95/499635695.db2.gz	SSAPZYSYPFSRBP-IDPBPBMLSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1	ZINC000376805132	499635697	/nfs/dbraw/zinc/63/56/97/499635697.db2.gz	SSAPZYSYPFSRBP-IDPBPBMLSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1	ZINC000423567754	500385279	/nfs/dbraw/zinc/38/52/79/500385279.db2.gz	MGZGBMYHNNDUHZ-KRWDZBQOSA-N	1	3	366.484	3.341	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1	ZINC000431966647	500449735	/nfs/dbraw/zinc/44/97/35/500449735.db2.gz	WBAYWPLTMXMMFG-ICSRJNTNSA-N	1	3	364.578	3.227	20	30		FGEDHO
COc1cc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000442883116	500639435	/nfs/dbraw/zinc/63/94/35/500639435.db2.gz	UIJAGSCJQJTROB-HDICACEKSA-N	1	3	371.525	3.278	20	30		FGEDHO
COc1cc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000442883116	500639438	/nfs/dbraw/zinc/63/94/38/500639438.db2.gz	UIJAGSCJQJTROB-HDICACEKSA-N	1	3	371.525	3.278	20	30		FGEDHO
CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1	ZINC000449083197	500920929	/nfs/dbraw/zinc/92/09/29/500920929.db2.gz	SGRUOAHJIJAUBD-UHFFFAOYSA-N	1	3	354.542	3.386	20	30		FGEDHO
N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)cc1	ZINC000596059154	506232513	/nfs/dbraw/zinc/23/25/13/506232513.db2.gz	NCFJBNXTAANXPG-HXUWFJFHSA-N	1	3	352.526	3.239	20	30		FGEDHO
CC(C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000470808317	501810743	/nfs/dbraw/zinc/81/07/43/501810743.db2.gz	NZUSPXFDYXJQEZ-SFTDATJTSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[C@H]1CN(CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1	ZINC000543207917	503680886	/nfs/dbraw/zinc/68/08/86/503680886.db2.gz	WDRYLNMVTMJFFZ-OALUTQOASA-N	1	3	355.526	3.464	20	30		FGEDHO
CC[NH+]1CCN(Cc2ccc(CNCc3ccc(C#N)cc3F)cc2)CC1	ZINC000533449054	503850947	/nfs/dbraw/zinc/85/09/47/503850947.db2.gz	DWOSXHRQRYBFON-UHFFFAOYSA-N	1	3	366.484	3.125	20	30		FGEDHO
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000558788574	505492469	/nfs/dbraw/zinc/49/24/69/505492469.db2.gz	VRGQDMUTWOPYJZ-BDTNDASRSA-N	1	3	353.510	3.293	20	30		FGEDHO
C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324126	506541801	/nfs/dbraw/zinc/54/18/01/506541801.db2.gz	YFQRYYYNWQOLJI-GCJKJVERSA-N	1	3	354.542	3.423	20	30		FGEDHO
C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324118	506541929	/nfs/dbraw/zinc/54/19/29/506541929.db2.gz	YFQRYYYNWQOLJI-AVRDEDQJSA-N	1	3	354.542	3.423	20	30		FGEDHO
N#CCCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1	ZINC000594437691	507133225	/nfs/dbraw/zinc/13/32/25/507133225.db2.gz	KUKTZWMBBJNECH-HXUWFJFHSA-N	1	3	356.514	3.090	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1	ZINC000598593948	507510680	/nfs/dbraw/zinc/51/06/80/507510680.db2.gz	YKGBLFSAIJWLDM-PCCBWWKXSA-N	1	3	355.526	3.274	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1	ZINC000598593948	507510684	/nfs/dbraw/zinc/51/06/84/507510684.db2.gz	YKGBLFSAIJWLDM-PCCBWWKXSA-N	1	3	355.526	3.274	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1	ZINC000598593949	507511342	/nfs/dbraw/zinc/51/13/42/507511342.db2.gz	YKGBLFSAIJWLDM-QHAWAJNXSA-N	1	3	355.526	3.274	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1	ZINC000598593949	507511343	/nfs/dbraw/zinc/51/13/43/507511343.db2.gz	YKGBLFSAIJWLDM-QHAWAJNXSA-N	1	3	355.526	3.274	20	30		FGEDHO
C#CCOc1cccc(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000778163977	724305624	/nfs/dbraw/zinc/30/56/24/724305624.db2.gz	KMPXKTMRYIYKQB-CALCHBBNSA-N	1	3	364.917	3.331	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(F)c(Br)c2)CC1	ZINC000819024773	727339195	/nfs/dbraw/zinc/33/91/95/727339195.db2.gz	VCNMQOVNOGZZMJ-QGZVFWFLSA-N	1	3	371.294	3.252	20	30		FGEDHO
C=CCN1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1	ZINC000182530708	495601929	/nfs/dbraw/zinc/60/19/29/495601929.db2.gz	OZGNMCTYDVSMHN-UHFFFAOYSA-N	1	3	364.578	3.180	20	30		FGEDHO
CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1	ZINC000151005248	495709489	/nfs/dbraw/zinc/70/94/89/495709489.db2.gz	REBWGKXKVSRDLB-GOSISDBHSA-N	1	3	370.541	3.179	20	30		FGEDHO
COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C#N	ZINC000283800089	498986135	/nfs/dbraw/zinc/98/61/35/498986135.db2.gz	AKCGYFIFYXGQFK-UHFFFAOYSA-N	1	3	365.477	3.330	20	30		FGEDHO
C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000368069908	499261426	/nfs/dbraw/zinc/26/14/26/499261426.db2.gz	NYXRCBVRYCONNB-SESVDKBCSA-N	1	3	355.526	3.006	20	30		FGEDHO
C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000368069908	499261428	/nfs/dbraw/zinc/26/14/28/499261428.db2.gz	NYXRCBVRYCONNB-SESVDKBCSA-N	1	3	355.526	3.006	20	30		FGEDHO
C=CCC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1	ZINC000414322900	499777796	/nfs/dbraw/zinc/77/77/96/499777796.db2.gz	HVPGFLPMOZYOII-OAQYLSRUSA-N	1	3	355.526	3.218	20	30		FGEDHO
C=CC[N@@H+](CCCN1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000444630393	500869534	/nfs/dbraw/zinc/86/95/34/500869534.db2.gz	ZXSMFVRLXTUGNC-GOSISDBHSA-N	1	3	354.502	3.087	20	30		FGEDHO
C=CC[N@H+](CCCN1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000444630393	500869538	/nfs/dbraw/zinc/86/95/38/500869538.db2.gz	ZXSMFVRLXTUGNC-GOSISDBHSA-N	1	3	354.502	3.087	20	30		FGEDHO
N#Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F	ZINC000449734903	501071372	/nfs/dbraw/zinc/07/13/72/501071372.db2.gz	PHFUBAQWIGDFFZ-UHFFFAOYSA-N	1	3	353.441	3.462	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000611622476	506232827	/nfs/dbraw/zinc/23/28/27/506232827.db2.gz	LHLTUARJGOYJNC-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000611622476	506232832	/nfs/dbraw/zinc/23/28/32/506232832.db2.gz	LHLTUARJGOYJNC-GMAHTHKFSA-N	1	3	361.489	3.292	20	30		FGEDHO
C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ccc(C#N)o3)cc2)C[C@H]1C	ZINC000540653133	503844894	/nfs/dbraw/zinc/84/48/94/503844894.db2.gz	IEOCVNANNAZDLZ-HDICACEKSA-N	1	3	367.493	3.450	20	30		FGEDHO
C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ccc(C#N)o3)cc2)C[C@H]1C	ZINC000540653133	503844899	/nfs/dbraw/zinc/84/48/99/503844899.db2.gz	IEOCVNANNAZDLZ-HDICACEKSA-N	1	3	367.493	3.450	20	30		FGEDHO
C=CCOc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1	ZINC000561178765	505273404	/nfs/dbraw/zinc/27/34/04/505273404.db2.gz	UNJBUGKEKMCPPE-UHFFFAOYSA-N	1	3	371.525	3.386	20	30		FGEDHO
COc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1C#N	ZINC000555002555	505325974	/nfs/dbraw/zinc/32/59/74/505325974.db2.gz	CGTNWNCETFBPSG-MRXNPFEDSA-N	1	3	353.466	3.358	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2)CC1	ZINC000594944623	507324166	/nfs/dbraw/zinc/32/41/66/507324166.db2.gz	TXDOTXAMFYKCTI-QFIPXVFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)CC1	ZINC000594944623	507324174	/nfs/dbraw/zinc/32/41/74/507324174.db2.gz	TXDOTXAMFYKCTI-QFIPXVFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000598725263	507569425	/nfs/dbraw/zinc/56/94/25/507569425.db2.gz	WRJMXZBKKFBLCZ-PLACYPQZSA-N	1	3	355.526	3.177	20	30		FGEDHO
CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602550372	507745687	/nfs/dbraw/zinc/74/56/87/507745687.db2.gz	BKDAPWAYPOKVNZ-JKSUJKDBSA-N	1	3	371.312	3.124	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1	ZINC000108932948	494807593	/nfs/dbraw/zinc/80/75/93/494807593.db2.gz	VTDKGQYYHMVXNG-LJQANCHMSA-N	1	3	367.537	3.022	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1	ZINC000108932948	494807598	/nfs/dbraw/zinc/80/75/98/494807598.db2.gz	VTDKGQYYHMVXNG-LJQANCHMSA-N	1	3	367.537	3.022	20	30		FGEDHO
Cn1cc(CNCc2ccc(C[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000180035504	495831616	/nfs/dbraw/zinc/83/16/16/495831616.db2.gz	XMTKPCAMPWVISE-UHFFFAOYSA-N	1	3	359.477	3.310	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000248611980	497056369	/nfs/dbraw/zinc/05/63/69/497056369.db2.gz	XTWLDCOXAHCGTN-RCZSKKKRSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000248611980	497056374	/nfs/dbraw/zinc/05/63/74/497056374.db2.gz	XTWLDCOXAHCGTN-RCZSKKKRSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000248611980	497056378	/nfs/dbraw/zinc/05/63/78/497056378.db2.gz	XTWLDCOXAHCGTN-RCZSKKKRSA-N	1	3	372.553	3.397	20	30		FGEDHO
C[C@H]1CN(CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1	ZINC000267390869	497540536	/nfs/dbraw/zinc/54/05/36/497540536.db2.gz	OOOKPNIMFQJGPL-OALUTQOASA-N	1	3	371.525	3.300	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000373456049	499470778	/nfs/dbraw/zinc/47/07/78/499470778.db2.gz	RUGBVLTUFWOOEG-VQTJNVASSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000373456049	499470779	/nfs/dbraw/zinc/47/07/79/499470779.db2.gz	RUGBVLTUFWOOEG-VQTJNVASSA-N	1	3	364.493	3.154	20	30		FGEDHO
C=CCOc1ccccc1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000421373053	500031400	/nfs/dbraw/zinc/03/14/00/500031400.db2.gz	MESOOODUGNPOIX-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1ccccc1CN1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000421373053	500031403	/nfs/dbraw/zinc/03/14/03/500031403.db2.gz	MESOOODUGNPOIX-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
C=CCOc1ccccc1CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000421373053	500031408	/nfs/dbraw/zinc/03/14/08/500031408.db2.gz	MESOOODUGNPOIX-UHFFFAOYSA-N	1	3	357.542	3.243	20	30		FGEDHO
COc1cc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N	ZINC000442883120	500639448	/nfs/dbraw/zinc/63/94/48/500639448.db2.gz	UIJAGSCJQJTROB-QZTJIDSGSA-N	1	3	371.525	3.278	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000602728057	506275062	/nfs/dbraw/zinc/27/50/62/506275062.db2.gz	HXQAODUIVLZCKH-SBHAEUEKSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000602728057	506275072	/nfs/dbraw/zinc/27/50/72/506275072.db2.gz	HXQAODUIVLZCKH-SBHAEUEKSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000602728057	506275077	/nfs/dbraw/zinc/27/50/77/506275077.db2.gz	HXQAODUIVLZCKH-SBHAEUEKSA-N	1	3	355.526	3.443	20	30		FGEDHO
C=CCc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O	ZINC000530723024	504065333	/nfs/dbraw/zinc/06/53/33/504065333.db2.gz	JSUPBZKMWQLFPB-CALCHBBNSA-N	1	3	362.514	3.108	20	30		FGEDHO
C=CCN(CCc1ccco1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000519422528	504218229	/nfs/dbraw/zinc/21/82/29/504218229.db2.gz	YEMDNKAMVMVWKL-UHFFFAOYSA-N	1	3	373.541	3.033	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1	ZINC000520692841	504558134	/nfs/dbraw/zinc/55/81/34/504558134.db2.gz	HIOXVVIGQKMKBB-NRFANRHFSA-N	1	3	372.557	3.409	20	30		FGEDHO
C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)CCCCC#N)CCCC1)c1ccccc1	ZINC000594436222	507131392	/nfs/dbraw/zinc/13/13/92/507131392.db2.gz	BWAYIYMAPDQWKX-IEBWSBKVSA-N	1	3	356.514	3.177	20	30		FGEDHO
CC(C)(C#N)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000594498976	507155213	/nfs/dbraw/zinc/15/52/13/507155213.db2.gz	WLUXJQDWJMKEDP-RTWAWAEBSA-N	1	3	355.526	3.345	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1	ZINC000171728751	496011220	/nfs/dbraw/zinc/01/12/20/496011220.db2.gz	CSVUIGJXCDAKBL-OAQYLSRUSA-N	1	3	370.541	3.082	20	30		FGEDHO
N#CCCn1cc(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccccc2)n1	ZINC000172114414	496171110	/nfs/dbraw/zinc/17/11/10/496171110.db2.gz	FJERTPGTVGDICP-UHFFFAOYSA-N	1	3	363.509	3.428	20	30		FGEDHO
C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1	ZINC000181524423	496432628	/nfs/dbraw/zinc/43/26/28/496432628.db2.gz	SURVEVAXZCEUBP-QGZVFWFLSA-N	1	3	353.466	3.380	20	30		FGEDHO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181569536	496450403	/nfs/dbraw/zinc/45/04/03/496450403.db2.gz	PMIXGFBXBCWIJD-HSALFYBXSA-N	1	3	368.569	3.479	20	30		FGEDHO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181569536	496450407	/nfs/dbraw/zinc/45/04/07/496450407.db2.gz	PMIXGFBXBCWIJD-HSALFYBXSA-N	1	3	368.569	3.479	20	30		FGEDHO
CC(C)(C)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000278699431	497193829	/nfs/dbraw/zinc/19/38/29/497193829.db2.gz	QQPUZFSXAOTDNM-UHFFFAOYSA-N	1	3	366.513	3.211	20	30		FGEDHO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)c1ccc(C#N)cc1	ZINC000189949867	497303981	/nfs/dbraw/zinc/30/39/81/497303981.db2.gz	FZXNIYWCHOHHFU-HMFYCAOWSA-N	1	3	363.505	3.338	20	30		FGEDHO
C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1	ZINC000280603025	497823120	/nfs/dbraw/zinc/82/31/20/497823120.db2.gz	XGBXERIFZMBZID-GCJKJVERSA-N	1	3	374.488	3.267	20	30		FGEDHO
C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000280603025	497823123	/nfs/dbraw/zinc/82/31/23/497823123.db2.gz	XGBXERIFZMBZID-GCJKJVERSA-N	1	3	374.488	3.267	20	30		FGEDHO
CCCN1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1	ZINC000362217421	498477812	/nfs/dbraw/zinc/47/78/12/498477812.db2.gz	HUPKCPMDIXNWPH-UHFFFAOYSA-N	1	3	368.569	3.480	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342840	499393613	/nfs/dbraw/zinc/39/36/13/499393613.db2.gz	KSJDLWGQZUNEAS-QIJUGHKUSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342840	499393615	/nfs/dbraw/zinc/39/36/15/499393615.db2.gz	KSJDLWGQZUNEAS-QIJUGHKUSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377407931	499687788	/nfs/dbraw/zinc/68/77/88/499687788.db2.gz	CTDMVUCMINCBHD-FXAWDEMLSA-N	1	3	359.477	3.206	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000411517833	499750427	/nfs/dbraw/zinc/75/04/27/499750427.db2.gz	NQYUAPZEONNAQV-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000411517833	499750429	/nfs/dbraw/zinc/75/04/29/499750429.db2.gz	NQYUAPZEONNAQV-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1	ZINC000411517833	499750431	/nfs/dbraw/zinc/75/04/31/499750431.db2.gz	NQYUAPZEONNAQV-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1	ZINC000417539097	500101112	/nfs/dbraw/zinc/10/11/12/500101112.db2.gz	OBWPGNVGZCABMA-NRFANRHFSA-N	1	3	366.509	3.179	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CCN(C)[C@@H](C)C2)n1	ZINC000596148052	506280181	/nfs/dbraw/zinc/28/01/81/506280181.db2.gz	YRAJCWNPSCLAAS-XDNAFOTISA-N	1	3	370.545	3.051	20	30		FGEDHO
Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CCN(C)[C@@H](C)C2)n1	ZINC000596148052	506280184	/nfs/dbraw/zinc/28/01/84/506280184.db2.gz	YRAJCWNPSCLAAS-XDNAFOTISA-N	1	3	370.545	3.051	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000507460942	503302536	/nfs/dbraw/zinc/30/25/36/503302536.db2.gz	KDDNYOMYVSLOQX-AKIFATBCSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000507460942	503302540	/nfs/dbraw/zinc/30/25/40/503302540.db2.gz	KDDNYOMYVSLOQX-AKIFATBCSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1	ZINC000507460942	503302544	/nfs/dbraw/zinc/30/25/44/503302544.db2.gz	KDDNYOMYVSLOQX-AKIFATBCSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1	ZINC000589315666	506514834	/nfs/dbraw/zinc/51/48/34/506514834.db2.gz	ONQXPXGECYNMTI-MSOLQXFVSA-N	1	3	367.415	3.044	20	30		FGEDHO
N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)c1	ZINC000593323034	506540678	/nfs/dbraw/zinc/54/06/78/506540678.db2.gz	ONDGLCRJQPBIQS-YTFSRNRJSA-N	1	3	366.553	3.423	20	30		FGEDHO
CC1CC[NH+](CCc2cccc(NC(=O)[C@H](N)CCCCC#N)c2)CC1	ZINC000594445295	507136905	/nfs/dbraw/zinc/13/69/05/507136905.db2.gz	JEAVHGNAOCMRIX-HXUWFJFHSA-N	1	3	356.514	3.311	20	30		FGEDHO
N#CC1(c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)cc2)CC1	ZINC000594931856	507319596	/nfs/dbraw/zinc/31/95/96/507319596.db2.gz	SPKRWCGWWAMXLI-RTWAWAEBSA-N	1	3	353.510	3.099	20	30		FGEDHO
CN1CCC(N2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)CC1	ZINC000611255171	507583740	/nfs/dbraw/zinc/58/37/40/507583740.db2.gz	VDCOJZPTXNCPJB-QKDPSFTKSA-N	1	3	366.553	3.149	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1	ZINC000106261359	495440559	/nfs/dbraw/zinc/44/05/59/495440559.db2.gz	XVZFMKLOVHPWHA-UHFFFAOYSA-N	1	3	372.557	3.368	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1	ZINC000172185564	496199831	/nfs/dbraw/zinc/19/98/31/496199831.db2.gz	AYESYVVFSNVFBQ-GOSISDBHSA-N	1	3	370.541	3.162	20	30		FGEDHO
C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1	ZINC000182028836	496640882	/nfs/dbraw/zinc/64/08/82/496640882.db2.gz	GPSRSQCJEWNLDV-NDXORKPFSA-N	1	3	357.498	3.007	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1	ZINC000182257091	496720874	/nfs/dbraw/zinc/72/08/74/496720874.db2.gz	DNXKQSNFTHIEAV-UWJYYQICSA-N	1	3	365.477	3.006	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1	ZINC000182257091	496720877	/nfs/dbraw/zinc/72/08/77/496720877.db2.gz	DNXKQSNFTHIEAV-UWJYYQICSA-N	1	3	365.477	3.006	20	30		FGEDHO
C=CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000188834270	496922603	/nfs/dbraw/zinc/92/26/03/496922603.db2.gz	YICXXAVQAHKWPJ-OAQYLSRUSA-N	1	3	355.526	3.021	20	30		FGEDHO
C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc(OCC#N)cc1	ZINC000271814043	497458720	/nfs/dbraw/zinc/45/87/20/497458720.db2.gz	BGTXIIKGOKYBHJ-GOSISDBHSA-N	1	3	367.493	3.423	20	30		FGEDHO
CCCCCCCCOCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000363056728	498626765	/nfs/dbraw/zinc/62/67/65/498626765.db2.gz	GXQULXUYTXZLRK-UHFFFAOYSA-N	1	3	367.578	3.038	20	30		FGEDHO
C[C@@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1	ZINC000329366479	499109362	/nfs/dbraw/zinc/10/93/62/499109362.db2.gz	KLUIQNPSFQZZPV-APWZRJJASA-N	1	3	372.557	3.462	20	30		FGEDHO
C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1	ZINC000414303702	499775792	/nfs/dbraw/zinc/77/57/92/499775792.db2.gz	LWAJCQPECBNPML-KRWDZBQOSA-N	1	3	367.468	3.375	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1	ZINC000415970366	499935383	/nfs/dbraw/zinc/93/53/83/499935383.db2.gz	LFRONZIRQRQKTR-UHFFFAOYSA-N	1	3	370.419	3.326	20	30		FGEDHO
CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1	ZINC000447540508	500620229	/nfs/dbraw/zinc/62/02/29/500620229.db2.gz	JIAQWCGPSJWRAP-VJBWXMMDSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1	ZINC000447540508	500620232	/nfs/dbraw/zinc/62/02/32/500620232.db2.gz	JIAQWCGPSJWRAP-VJBWXMMDSA-N	1	3	363.505	3.482	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C(C)C	ZINC000474064685	502796001	/nfs/dbraw/zinc/79/60/01/502796001.db2.gz	YNHSRZIDHSRKBI-SOAGJPPSSA-N	1	3	362.562	3.001	20	30		FGEDHO
CCC1([NH+]2CCCC2)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000601743675	507445934	/nfs/dbraw/zinc/44/59/34/507445934.db2.gz	DTINTYNMMYYLPM-HXUWFJFHSA-N	1	3	364.493	3.108	20	30		FGEDHO
CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000072725068	494241899	/nfs/dbraw/zinc/24/18/99/494241899.db2.gz	LDNUFEXUHJVFPY-KRWDZBQOSA-N	1	3	362.905	3.346	20	30		FGEDHO
CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000072725068	494241902	/nfs/dbraw/zinc/24/19/02/494241902.db2.gz	LDNUFEXUHJVFPY-KRWDZBQOSA-N	1	3	362.905	3.346	20	30		FGEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000580459108	505764702	/nfs/dbraw/zinc/76/47/02/505764702.db2.gz	AZFIMUHQFISXNN-QZTJIDSGSA-N	1	3	373.504	3.452	20	30		FGEDHO
N#Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)n2c1	ZINC000123717697	495175269	/nfs/dbraw/zinc/17/52/69/495175269.db2.gz	KEKGDSYWLHHZLL-SEJPIABJSA-N	1	3	371.488	3.491	20	30		FGEDHO
C=CCN1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1	ZINC000171728755	496010899	/nfs/dbraw/zinc/01/08/99/496010899.db2.gz	CSVUIGJXCDAKBL-NRFANRHFSA-N	1	3	370.541	3.082	20	30		FGEDHO
CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000280771457	497891536	/nfs/dbraw/zinc/89/15/36/497891536.db2.gz	DKIBGCMQHNOTEP-JOCHJYFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000280771457	497891544	/nfs/dbraw/zinc/89/15/44/497891544.db2.gz	DKIBGCMQHNOTEP-JOCHJYFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1	ZINC000280988084	497977739	/nfs/dbraw/zinc/97/77/39/497977739.db2.gz	MWDLXRWUSCUULW-PZJWPPBQSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000280988084	497977746	/nfs/dbraw/zinc/97/77/46/497977746.db2.gz	MWDLXRWUSCUULW-PZJWPPBQSA-N	1	3	364.493	3.154	20	30		FGEDHO
C[C@H]1CN(CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000286234748	498334920	/nfs/dbraw/zinc/33/49/20/498334920.db2.gz	SYEJXVKAXOOLSU-OALUTQOASA-N	1	3	370.541	3.006	20	30		FGEDHO
Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423060499	500336867	/nfs/dbraw/zinc/33/68/67/500336867.db2.gz	OPSOXACWDRTENL-STJZUHDESA-N	1	3	365.481	3.156	20	30		FGEDHO
C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F	ZINC000423577945	500386112	/nfs/dbraw/zinc/38/61/12/500386112.db2.gz	TVHIDFLADJSRAO-KRWDZBQOSA-N	1	3	366.484	3.341	20	30		FGEDHO
CC(C)N1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000433319167	500671560	/nfs/dbraw/zinc/67/15/60/500671560.db2.gz	NQJGYYPSRRIRCI-GOSISDBHSA-N	1	3	366.513	3.069	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000437733161	500687455	/nfs/dbraw/zinc/68/74/55/500687455.db2.gz	GACRNQCVTACRQK-FQEVSTJZSA-N	1	3	362.562	3.123	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1	ZINC000437733161	500687456	/nfs/dbraw/zinc/68/74/56/500687456.db2.gz	GACRNQCVTACRQK-FQEVSTJZSA-N	1	3	362.562	3.123	20	30		FGEDHO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1	ZINC000602656284	506247264	/nfs/dbraw/zinc/24/72/64/506247264.db2.gz	XSJWDFFVSXKWHR-SFHVURJKSA-N	1	3	371.525	3.348	20	30		FGEDHO
CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090682	502227605	/nfs/dbraw/zinc/22/76/05/502227605.db2.gz	PLMYZNXLJXFYKE-PXNSSMCTSA-N	1	3	366.509	3.257	20	30		FGEDHO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000472090682	502227607	/nfs/dbraw/zinc/22/76/07/502227607.db2.gz	PLMYZNXLJXFYKE-PXNSSMCTSA-N	1	3	366.509	3.257	20	30		FGEDHO
C=CCCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000505030543	502842336	/nfs/dbraw/zinc/84/23/36/502842336.db2.gz	XEYNBATUDAZSRL-UHFFFAOYSA-N	1	3	370.541	3.485	20	30		FGEDHO
CN1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)(N2CCCCC2)CC1	ZINC000583534819	506832597	/nfs/dbraw/zinc/83/25/97/506832597.db2.gz	GQYCYNVJQYVYLL-OAQYLSRUSA-N	1	3	352.526	3.085	20	30		FGEDHO
CCC1([NH+]2CCCC2)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000601743674	507446229	/nfs/dbraw/zinc/44/62/29/507446229.db2.gz	DTINTYNMMYYLPM-FQEVSTJZSA-N	1	3	364.493	3.108	20	30		FGEDHO
CN(CCC#N)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000093735116	494915050	/nfs/dbraw/zinc/91/50/50/494915050.db2.gz	GESMHVLDVSNHSA-UHFFFAOYSA-N	1	3	370.541	3.113	20	30		FGEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000580459107	505764583	/nfs/dbraw/zinc/76/45/83/505764583.db2.gz	AZFIMUHQFISXNN-CYGODWOOSA-N	1	3	373.504	3.452	20	30		FGEDHO
C[C@@H]1CN(CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000156030761	496138213	/nfs/dbraw/zinc/13/82/13/496138213.db2.gz	QIBYCYUSBQLPEH-KDURUIRLSA-N	1	3	371.525	3.148	20	30		FGEDHO
CC[NH+](CC)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279572339	497474997	/nfs/dbraw/zinc/47/49/97/497474997.db2.gz	PUJMFHDEZFZVNX-JOCHJYFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
CN(CC#Cc1ccccc1)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000364474266	497974858	/nfs/dbraw/zinc/97/48/58/497974858.db2.gz	YCOKZCMXAWVZSZ-UHFFFAOYSA-N	1	3	353.554	3.166	20	30		FGEDHO
N#CC1(CCCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1	ZINC000281370191	498124828	/nfs/dbraw/zinc/12/48/28/498124828.db2.gz	OKFKILMHEUJWCL-OYRHEFFESA-N	1	3	353.510	3.151	20	30		FGEDHO
N#CC1(CCCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1	ZINC000281370191	498124833	/nfs/dbraw/zinc/12/48/33/498124833.db2.gz	OKFKILMHEUJWCL-OYRHEFFESA-N	1	3	353.510	3.151	20	30		FGEDHO
Cn1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290402312	498538760	/nfs/dbraw/zinc/53/87/60/498538760.db2.gz	JNJVUEKWQACLFY-FQEVSTJZSA-N	1	3	363.509	3.122	20	30		FGEDHO
Cn1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000290402312	498538764	/nfs/dbraw/zinc/53/87/64/498538764.db2.gz	JNJVUEKWQACLFY-FQEVSTJZSA-N	1	3	363.509	3.122	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000367427931	499197816	/nfs/dbraw/zinc/19/78/16/499197816.db2.gz	FGUKNKGDJDAJSY-QGZVFWFLSA-N	1	3	357.498	3.053	20	30		FGEDHO
C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000367427931	499197817	/nfs/dbraw/zinc/19/78/17/499197817.db2.gz	FGUKNKGDJDAJSY-QGZVFWFLSA-N	1	3	357.498	3.053	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340925	499393230	/nfs/dbraw/zinc/39/32/30/499393230.db2.gz	BFJCEVKJQXHHEI-BVYCBKJFSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000369340925	499393232	/nfs/dbraw/zinc/39/32/32/499393232.db2.gz	BFJCEVKJQXHHEI-BVYCBKJFSA-N	1	3	371.525	3.348	20	30		FGEDHO
C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377407933	499687854	/nfs/dbraw/zinc/68/78/54/499687854.db2.gz	CTDMVUCMINCBHD-XLIONFOSSA-N	1	3	359.477	3.206	20	30		FGEDHO
C=CCC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1	ZINC000414322898	499777641	/nfs/dbraw/zinc/77/76/41/499777641.db2.gz	HVPGFLPMOZYOII-NRFANRHFSA-N	1	3	355.526	3.218	20	30		FGEDHO
CC[NH+](CC)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C	ZINC000472145552	502246983	/nfs/dbraw/zinc/24/69/83/502246983.db2.gz	JABNSWCNYKKSNV-UXHICEINSA-N	1	3	354.498	3.113	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1	ZINC000520696026	504559302	/nfs/dbraw/zinc/55/93/02/504559302.db2.gz	SHBRIUMTVMOVDY-FQEVSTJZSA-N	1	3	364.578	3.227	20	30		FGEDHO
CC(C)CN1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1	ZINC000557394201	505124143	/nfs/dbraw/zinc/12/41/43/505124143.db2.gz	LRGQYFAZUMYGQL-HXUWFJFHSA-N	1	3	354.542	3.485	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000598594781	507510430	/nfs/dbraw/zinc/51/04/30/507510430.db2.gz	JSSFSHBMYHRXTG-IFMALSPDSA-N	1	3	355.526	3.275	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000598594781	507510437	/nfs/dbraw/zinc/51/04/37/507510437.db2.gz	JSSFSHBMYHRXTG-IFMALSPDSA-N	1	3	355.526	3.275	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000106263990	495440987	/nfs/dbraw/zinc/44/09/87/495440987.db2.gz	YLCLZYGREUWKIU-KDURUIRLSA-N	1	3	364.578	3.084	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000106263990	495440992	/nfs/dbraw/zinc/44/09/92/495440992.db2.gz	YLCLZYGREUWKIU-KDURUIRLSA-N	1	3	364.578	3.084	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185670956	495672116	/nfs/dbraw/zinc/67/21/16/495672116.db2.gz	GYHCRPBQBWVAFN-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185670956	495672118	/nfs/dbraw/zinc/67/21/18/495672118.db2.gz	GYHCRPBQBWVAFN-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1	ZINC000185670956	495672126	/nfs/dbraw/zinc/67/21/26/495672126.db2.gz	GYHCRPBQBWVAFN-WMZOPIPTSA-N	1	3	354.498	3.129	20	30		FGEDHO
CC(C)N1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180171719	495890659	/nfs/dbraw/zinc/89/06/59/495890659.db2.gz	DJWZRWAOBSWGPX-GOSISDBHSA-N	1	3	351.498	3.169	20	30		FGEDHO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1	ZINC000171711189	496000988	/nfs/dbraw/zinc/00/09/88/496000988.db2.gz	ICYIDGNWYKRATI-SFHVURJKSA-N	1	3	364.559	3.081	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1	ZINC000265205867	497071885	/nfs/dbraw/zinc/07/18/85/497071885.db2.gz	SLZCEMANZWLMHB-DENIHFKCSA-N	1	3	372.557	3.263	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1	ZINC000265205867	497071890	/nfs/dbraw/zinc/07/18/90/497071890.db2.gz	SLZCEMANZWLMHB-DENIHFKCSA-N	1	3	372.557	3.263	20	30		FGEDHO
COCC[N@H+](C)CCCC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000271020034	497246794	/nfs/dbraw/zinc/24/67/94/497246794.db2.gz	JAGIHIBFAYXBAJ-UHFFFAOYSA-N	1	3	359.514	3.159	20	30		FGEDHO
COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000271020034	497246798	/nfs/dbraw/zinc/24/67/98/497246798.db2.gz	JAGIHIBFAYXBAJ-UHFFFAOYSA-N	1	3	359.514	3.159	20	30		FGEDHO
CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280931841	497955747	/nfs/dbraw/zinc/95/57/47/497955747.db2.gz	VXMIHQUOASXABE-QFIPXVFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280931841	497955756	/nfs/dbraw/zinc/95/57/56/497955756.db2.gz	VXMIHQUOASXABE-QFIPXVFZSA-N	1	3	374.488	3.397	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1	ZINC000280988097	497976836	/nfs/dbraw/zinc/97/68/36/497976836.db2.gz	MWDLXRWUSCUULW-TZIWHRDSSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000280988097	497976845	/nfs/dbraw/zinc/97/68/45/497976845.db2.gz	MWDLXRWUSCUULW-TZIWHRDSSA-N	1	3	364.493	3.154	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(F)c(C#N)c1	ZINC000363947805	499062723	/nfs/dbraw/zinc/06/27/23/499062723.db2.gz	XTUZWIQLAUWZFM-UHFFFAOYSA-N	1	3	372.532	3.325	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342838	499393695	/nfs/dbraw/zinc/39/36/95/499393695.db2.gz	KSJDLWGQZUNEAS-BVYCBKJFSA-N	1	3	370.541	3.015	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(N(C)CCC#N)cc1	ZINC000369342838	499393696	/nfs/dbraw/zinc/39/36/96/499393696.db2.gz	KSJDLWGQZUNEAS-BVYCBKJFSA-N	1	3	370.541	3.015	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1ccccc1C#N	ZINC000411556596	499762686	/nfs/dbraw/zinc/76/26/86/499762686.db2.gz	YEULIXPUTBFTSJ-MOPGFXCFSA-N	1	3	356.514	3.377	20	30		FGEDHO
CC[NH+](CC)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C	ZINC000472145553	502248068	/nfs/dbraw/zinc/24/80/68/502248068.db2.gz	JABNSWCNYKKSNV-VQTJNVASSA-N	1	3	354.498	3.113	20	30		FGEDHO
CC(C)CC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000472270204	502291756	/nfs/dbraw/zinc/29/17/56/502291756.db2.gz	VCCFHVXNSVQGPT-NRFANRHFSA-N	1	3	366.509	3.115	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000507460944	503302395	/nfs/dbraw/zinc/30/23/95/503302395.db2.gz	KDDNYOMYVSLOQX-MDNUFGMLSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000507460944	503302398	/nfs/dbraw/zinc/30/23/98/503302398.db2.gz	KDDNYOMYVSLOQX-MDNUFGMLSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1	ZINC000507460944	503302402	/nfs/dbraw/zinc/30/24/02/503302402.db2.gz	KDDNYOMYVSLOQX-MDNUFGMLSA-N	1	3	361.489	3.437	20	30		FGEDHO
C[C@H]1C[NH+](CCOc2ccc(CCNCc3ccc(C#N)o3)cc2)C[C@@H]1C	ZINC000540653135	503844911	/nfs/dbraw/zinc/84/49/11/503844911.db2.gz	IEOCVNANNAZDLZ-ROUUACIJSA-N	1	3	367.493	3.450	20	30		FGEDHO
C=C[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1	ZINC000534694696	504217480	/nfs/dbraw/zinc/21/74/80/504217480.db2.gz	DHXYVSWYDJNUAJ-PZJWPPBQSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=C[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1	ZINC000534694696	504217482	/nfs/dbraw/zinc/21/74/82/504217482.db2.gz	DHXYVSWYDJNUAJ-PZJWPPBQSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000562061276	505507399	/nfs/dbraw/zinc/50/73/99/505507399.db2.gz	IYTAMNSAAIIAGH-KSEOMHKRSA-N	1	3	369.553	3.253	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000562061276	505507402	/nfs/dbraw/zinc/50/74/02/505507402.db2.gz	IYTAMNSAAIIAGH-KSEOMHKRSA-N	1	3	369.553	3.253	20	30		FGEDHO
CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(CN(C)C)cc1	ZINC000599662101	506563731	/nfs/dbraw/zinc/56/37/31/506563731.db2.gz	YMTPSXLSAWPJNR-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(CN(C)C)cc1	ZINC000599662101	506563739	/nfs/dbraw/zinc/56/37/39/506563739.db2.gz	YMTPSXLSAWPJNR-UHFFFAOYSA-N	1	3	364.493	3.471	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594441532	507135444	/nfs/dbraw/zinc/13/54/44/507135444.db2.gz	SJMUTTFEHKFXGB-XLIONFOSSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594441532	507135452	/nfs/dbraw/zinc/13/54/52/507135452.db2.gz	SJMUTTFEHKFXGB-XLIONFOSSA-N	1	3	356.514	3.088	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000594500278	507157610	/nfs/dbraw/zinc/15/76/10/507157610.db2.gz	LJESBIKJQJAHHE-QFIPXVFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000594500278	507157619	/nfs/dbraw/zinc/15/76/19/507157619.db2.gz	LJESBIKJQJAHHE-QFIPXVFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1	ZINC000602535820	507740734	/nfs/dbraw/zinc/74/07/34/507740734.db2.gz	UANSKKUXLAIBGU-CTNGQTDRSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000602535820	507740737	/nfs/dbraw/zinc/74/07/37/507740737.db2.gz	UANSKKUXLAIBGU-CTNGQTDRSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000602535820	507740745	/nfs/dbraw/zinc/74/07/45/507740745.db2.gz	UANSKKUXLAIBGU-CTNGQTDRSA-N	1	3	355.526	3.240	20	30		FGEDHO
C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000130703125	495432268	/nfs/dbraw/zinc/43/22/68/495432268.db2.gz	BBKPPXVMCRCWJW-KRWDZBQOSA-N	1	3	370.541	3.035	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000106263993	495441206	/nfs/dbraw/zinc/44/12/06/495441206.db2.gz	YLCLZYGREUWKIU-OALUTQOASA-N	1	3	364.578	3.084	20	30		FGEDHO
CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000175013419	496207236	/nfs/dbraw/zinc/20/72/36/496207236.db2.gz	FMVOPHHMJAFZHS-PMACEKPBSA-N	1	3	351.498	3.426	20	30		FGEDHO
CN(C)Cc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000181438781	496395610	/nfs/dbraw/zinc/39/56/10/496395610.db2.gz	QPPGZCRWIYWSAR-UHFFFAOYSA-N	1	3	362.521	3.374	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCCCCCCC[NH+]2CCCC2)cc1	ZINC000279511871	497458829	/nfs/dbraw/zinc/45/88/29/497458829.db2.gz	KYVDPLNHVGGWHT-NRFANRHFSA-N	1	3	366.509	3.403	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1	ZINC000262464887	497561056	/nfs/dbraw/zinc/56/10/56/497561056.db2.gz	NKWQPACVMXMHKM-UHFFFAOYSA-N	1	3	370.419	3.227	20	30		FGEDHO
CN(C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCCCC1	ZINC000263261545	497744281	/nfs/dbraw/zinc/74/42/81/497744281.db2.gz	SQERUTPERFWMNU-UHFFFAOYSA-N	1	3	360.502	3.229	20	30		FGEDHO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1	ZINC000282543765	498552685	/nfs/dbraw/zinc/55/26/85/498552685.db2.gz	RRJMUWDGPAKDPI-FGZHOGPDSA-N	1	3	363.505	3.482	20	30		FGEDHO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1	ZINC000282543765	498552688	/nfs/dbraw/zinc/55/26/88/498552688.db2.gz	RRJMUWDGPAKDPI-FGZHOGPDSA-N	1	3	363.505	3.482	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000367427930	499197840	/nfs/dbraw/zinc/19/78/40/499197840.db2.gz	FGUKNKGDJDAJSY-KRWDZBQOSA-N	1	3	357.498	3.053	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1	ZINC000367427930	499197841	/nfs/dbraw/zinc/19/78/41/499197841.db2.gz	FGUKNKGDJDAJSY-KRWDZBQOSA-N	1	3	357.498	3.053	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1	ZINC000369341715	499393211	/nfs/dbraw/zinc/39/32/11/499393211.db2.gz	GBSQMDNUAVKWOG-BVYCBKJFSA-N	1	3	356.510	3.068	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1	ZINC000369341715	499393214	/nfs/dbraw/zinc/39/32/14/499393214.db2.gz	GBSQMDNUAVKWOG-BVYCBKJFSA-N	1	3	356.510	3.068	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872897	502161778	/nfs/dbraw/zinc/16/17/78/502161778.db2.gz	RMAGGSNSBAECGJ-HLIPFELVSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[NH+](C)CCOc1ccccc1N1CCN(CC(C)(C)CCC#N)CC1	ZINC000539840399	504713588	/nfs/dbraw/zinc/71/35/88/504713588.db2.gz	PONFUGYKSYZFRH-UHFFFAOYSA-N	1	3	358.530	3.079	20	30		FGEDHO
Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1C#N	ZINC000600709543	507077168	/nfs/dbraw/zinc/07/71/68/507077168.db2.gz	KWEMFRLXZBWTLD-UHFFFAOYSA-N	1	3	363.509	3.436	20	30		FGEDHO
Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1C#N	ZINC000600709543	507077175	/nfs/dbraw/zinc/07/71/75/507077175.db2.gz	KWEMFRLXZBWTLD-UHFFFAOYSA-N	1	3	363.509	3.436	20	30		FGEDHO
C[NH+]1CCC(N2CCC(Nc3nc(C(C)(C)C)ccc3C#N)CC2)CC1	ZINC000613417393	507078131	/nfs/dbraw/zinc/07/81/31/507078131.db2.gz	UIPPOJIWKRZVFD-UHFFFAOYSA-N	1	3	355.530	3.221	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1	ZINC000592075728	507476625	/nfs/dbraw/zinc/47/66/25/507476625.db2.gz	CGCFFRJNVGBUGM-UHFFFAOYSA-N	1	3	373.541	3.178	20	30		FGEDHO
N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1	ZINC000592183600	507527329	/nfs/dbraw/zinc/52/73/29/507527329.db2.gz	KQSZCUKLGMTSLM-FQEVSTJZSA-N	1	3	368.525	3.055	20	30		FGEDHO
C=C(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1	ZINC000909378383	744358469	/nfs/dbraw/zinc/35/84/69/744358469.db2.gz	DBYNRCLFYTVFQD-UHFFFAOYSA-N	1	3	365.905	3.259	20	30		FGEDHO
CCC[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000109786992	494917577	/nfs/dbraw/zinc/91/75/77/494917577.db2.gz	HIQATHXZKSNBNA-UHFFFAOYSA-N	1	3	374.554	3.243	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000106034059	495404849	/nfs/dbraw/zinc/40/48/49/495404849.db2.gz	ZAYOJUPYFSPBEL-FQEVSTJZSA-N	1	3	355.526	3.055	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000106034059	495404852	/nfs/dbraw/zinc/40/48/52/495404852.db2.gz	ZAYOJUPYFSPBEL-FQEVSTJZSA-N	1	3	355.526	3.055	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000106259296	495439723	/nfs/dbraw/zinc/43/97/23/495439723.db2.gz	DRPZPDJYKMDSEF-UHFFFAOYSA-N	1	3	370.541	3.122	20	30		FGEDHO
C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(OCC[NH+](C)C)c1	ZINC000180553737	496042030	/nfs/dbraw/zinc/04/20/30/496042030.db2.gz	PTKXNTPMPOMTDJ-QGZVFWFLSA-N	1	3	353.466	3.380	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@@H](C)O1	ZINC000177513160	496092223	/nfs/dbraw/zinc/09/22/23/496092223.db2.gz	QJXUCKWVXAMJGV-RTBURBONSA-N	1	3	371.525	3.148	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCCCCCCC[NH+]2CCCC2)cc1	ZINC000279511874	497458692	/nfs/dbraw/zinc/45/86/92/497458692.db2.gz	KYVDPLNHVGGWHT-OAQYLSRUSA-N	1	3	366.509	3.403	20	30		FGEDHO
[NH2+]=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1ccccc1	ZINC000267338314	497528352	/nfs/dbraw/zinc/52/83/52/497528352.db2.gz	PNSVGAPGSPBIOL-UHFFFAOYSA-N	1	3	366.509	3.485	20	30		FGEDHO
C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCCC1	ZINC000279919776	497589160	/nfs/dbraw/zinc/58/91/60/497589160.db2.gz	KHJAFOISBJEMQE-LJQANCHMSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752626	497720275	/nfs/dbraw/zinc/72/02/75/497720275.db2.gz	NYWYSYYIBTZIHD-MGPUTAFESA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1	ZINC000272752626	497720281	/nfs/dbraw/zinc/72/02/81/497720281.db2.gz	NYWYSYYIBTZIHD-MGPUTAFESA-N	1	3	353.441	3.115	20	30		FGEDHO
CN1CCC(Oc2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cc2)CC1	ZINC000288693257	497870156	/nfs/dbraw/zinc/87/01/56/497870156.db2.gz	KHLYIOITMSZBQH-UHFFFAOYSA-N	1	3	374.435	3.365	20	30		FGEDHO
N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675177	498168409	/nfs/dbraw/zinc/16/84/09/498168409.db2.gz	ULOXFQZPDHHFTL-PKTZIBPZSA-N	1	3	361.489	3.190	20	30		FGEDHO
N#Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675177	498168414	/nfs/dbraw/zinc/16/84/14/498168414.db2.gz	ULOXFQZPDHHFTL-PKTZIBPZSA-N	1	3	361.489	3.190	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC	ZINC000367611353	499217614	/nfs/dbraw/zinc/21/76/14/499217614.db2.gz	BUWTXQTYKAADTF-HCXYKTFWSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC	ZINC000367611353	499217616	/nfs/dbraw/zinc/21/76/16/499217616.db2.gz	BUWTXQTYKAADTF-HCXYKTFWSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OC	ZINC000367611353	499217619	/nfs/dbraw/zinc/21/76/19/499217619.db2.gz	BUWTXQTYKAADTF-HCXYKTFWSA-N	1	3	357.498	3.339	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1	ZINC000371497099	499334707	/nfs/dbraw/zinc/33/47/07/499334707.db2.gz	IYSIFPMHDDIHNH-SIKLNZKXSA-N	1	3	367.537	3.016	20	30		FGEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1	ZINC000371497099	499334708	/nfs/dbraw/zinc/33/47/08/499334708.db2.gz	IYSIFPMHDDIHNH-SIKLNZKXSA-N	1	3	367.537	3.016	20	30		FGEDHO
C#CCOc1ccc(CN(C)C2CC[NH+](CCc3ccncc3)CC2)cc1	ZINC000377899262	499746356	/nfs/dbraw/zinc/74/63/56/499746356.db2.gz	DPJAVWQWSZBIAH-UHFFFAOYSA-N	1	3	363.505	3.233	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2	ZINC000414309916	499776252	/nfs/dbraw/zinc/77/62/52/499776252.db2.gz	RYAJTOMYAQCVQJ-JOCHJYFZSA-N	1	3	361.489	3.162	20	30		FGEDHO
C=C(C)CN(CCCN1CC[NH+](C(C)C)CC1)Cc1cnn(C(C)C)c1	ZINC000512527570	503577320	/nfs/dbraw/zinc/57/73/20/503577320.db2.gz	USZPAPIHNYYSDC-UHFFFAOYSA-N	1	3	361.578	3.258	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C(C)C	ZINC000520704656	504560859	/nfs/dbraw/zinc/56/08/59/504560859.db2.gz	WTDWBVORGSWWHO-AZUAARDMSA-N	1	3	362.562	3.001	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C(C)C	ZINC000520704656	504560866	/nfs/dbraw/zinc/56/08/66/504560866.db2.gz	WTDWBVORGSWWHO-AZUAARDMSA-N	1	3	362.562	3.001	20	30		FGEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597131462	506793173	/nfs/dbraw/zinc/79/31/73/506793173.db2.gz	WHVHSEGLSHCUNF-OAQYLSRUSA-N	1	3	354.542	3.090	20	30		FGEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597131462	506793178	/nfs/dbraw/zinc/79/31/78/506793178.db2.gz	WHVHSEGLSHCUNF-OAQYLSRUSA-N	1	3	354.542	3.090	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000598730338	507570268	/nfs/dbraw/zinc/57/02/68/507570268.db2.gz	UCLFRRCICGNCMI-PMACEKPBSA-N	1	3	355.526	3.179	20	30		FGEDHO
C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1	ZINC000611395256	507660810	/nfs/dbraw/zinc/66/08/10/507660810.db2.gz	YZERGYDJGJBVAD-HXUWFJFHSA-N	1	3	350.466	3.061	20	30		FGEDHO
C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1	ZINC000961370447	762747301	/nfs/dbraw/zinc/74/73/01/762747301.db2.gz	CPPBACOKTXRKJX-NZSAHSFTSA-N	1	3	367.965	3.030	20	30		FGEDHO
C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1	ZINC000961370447	762747309	/nfs/dbraw/zinc/74/73/09/762747309.db2.gz	CPPBACOKTXRKJX-NZSAHSFTSA-N	1	3	367.965	3.030	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1	ZINC000106330329	495446050	/nfs/dbraw/zinc/44/60/50/495446050.db2.gz	IUMWWKSKPZDBSE-FQEVSTJZSA-N	1	3	364.578	3.227	20	30		FGEDHO
CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000175013433	496207614	/nfs/dbraw/zinc/20/76/14/496207614.db2.gz	FMVOPHHMJAFZHS-WOJBJXKFSA-N	1	3	351.498	3.426	20	30		FGEDHO
C=CCN1CCC(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1	ZINC000184561682	496440017	/nfs/dbraw/zinc/44/00/17/496440017.db2.gz	CJVXMXAUVISLDD-OAQYLSRUSA-N	1	3	372.557	3.093	20	30		FGEDHO
C=CCN1CCC(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1	ZINC000184561682	496440020	/nfs/dbraw/zinc/44/00/20/496440020.db2.gz	CJVXMXAUVISLDD-OAQYLSRUSA-N	1	3	372.557	3.093	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000264484286	496910321	/nfs/dbraw/zinc/91/03/21/496910321.db2.gz	LXNRJIDJKQPCBN-UHFFFAOYSA-N	1	3	355.526	3.055	20	30		FGEDHO
CCN1CCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000271051787	497254770	/nfs/dbraw/zinc/25/47/70/497254770.db2.gz	AMWQSFKIPZXPEV-UHFFFAOYSA-N	1	3	354.542	3.008	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1	ZINC000280988063	497977925	/nfs/dbraw/zinc/97/79/25/497977925.db2.gz	MWDLXRWUSCUULW-CTNGQTDRSA-N	1	3	364.493	3.154	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000280988063	497977929	/nfs/dbraw/zinc/97/79/29/497977929.db2.gz	MWDLXRWUSCUULW-CTNGQTDRSA-N	1	3	364.493	3.154	20	30		FGEDHO
CC[N@H+](CCCN1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000289494236	498167100	/nfs/dbraw/zinc/16/71/00/498167100.db2.gz	SBQYZDOLRREJTP-UHFFFAOYSA-N	1	3	366.513	3.167	20	30		FGEDHO
CC[N@@H+](CCCN1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000289494236	498167106	/nfs/dbraw/zinc/16/71/06/498167106.db2.gz	SBQYZDOLRREJTP-UHFFFAOYSA-N	1	3	366.513	3.167	20	30		FGEDHO
CN1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(C)C	ZINC000282389927	498491934	/nfs/dbraw/zinc/49/19/34/498491934.db2.gz	RCLZTJPAVNRYAS-UHFFFAOYSA-N	1	3	354.542	3.006	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc1	ZINC000370122933	499183684	/nfs/dbraw/zinc/18/36/84/499183684.db2.gz	RYYPGVIRAZRXMP-UHFFFAOYSA-N	1	3	352.526	3.129	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1	ZINC000377705917	499723105	/nfs/dbraw/zinc/72/31/05/499723105.db2.gz	ZYRPESBAIPLIHL-KRWDZBQOSA-N	1	3	350.466	3.473	20	30		FGEDHO
C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1	ZINC000377705917	499723107	/nfs/dbraw/zinc/72/31/07/499723107.db2.gz	ZYRPESBAIPLIHL-KRWDZBQOSA-N	1	3	350.466	3.473	20	30		FGEDHO
CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1	ZINC000447533725	500618980	/nfs/dbraw/zinc/61/89/80/500618980.db2.gz	YUALZNASHXQYSD-JOCHJYFZSA-N	1	3	363.509	3.206	20	30		FGEDHO
CC[NH+](CC)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C	ZINC000472145554	502248097	/nfs/dbraw/zinc/24/80/97/502248097.db2.gz	JABNSWCNYKKSNV-WOJBJXKFSA-N	1	3	354.498	3.113	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C	ZINC000503433095	503408345	/nfs/dbraw/zinc/40/83/45/503408345.db2.gz	BALSEBFSWJRHDE-GOSISDBHSA-N	1	3	364.578	3.293	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1	ZINC000493785666	503446323	/nfs/dbraw/zinc/44/63/23/503446323.db2.gz	JOYGUEGYJJILDP-SJLPKXTDSA-N	1	3	362.518	3.049	20	30		FGEDHO
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(C#N)cs1	ZINC000538722955	504345038	/nfs/dbraw/zinc/34/50/38/504345038.db2.gz	CEVVSNNDVQUXQG-UHFFFAOYSA-N	1	3	360.571	3.248	20	30		FGEDHO
C[C@H](NCCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000558738709	505479041	/nfs/dbraw/zinc/47/90/41/505479041.db2.gz	XTAIGZILAFTEEM-ROUUACIJSA-N	1	3	362.477	3.448	20	30		FGEDHO
CCN1CCC([N@@H+]2CCCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1	ZINC000597154931	506802648	/nfs/dbraw/zinc/80/26/48/506802648.db2.gz	SXVWMKPEAMOANR-UHFFFAOYSA-N	1	3	366.553	3.234	20	30		FGEDHO
CCN1CCC([N@H+]2CCCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1	ZINC000597154931	506802649	/nfs/dbraw/zinc/80/26/49/506802649.db2.gz	SXVWMKPEAMOANR-UHFFFAOYSA-N	1	3	366.553	3.234	20	30		FGEDHO
CN1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)(N2CCCCC2)CC1	ZINC000583534818	506833110	/nfs/dbraw/zinc/83/31/10/506833110.db2.gz	GQYCYNVJQYVYLL-NRFANRHFSA-N	1	3	352.526	3.085	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1	ZINC000594441235	507135589	/nfs/dbraw/zinc/13/55/89/507135589.db2.gz	PMVRJAATWDEDAI-LVCYWYKZSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1	ZINC000594441235	507135594	/nfs/dbraw/zinc/13/55/94/507135594.db2.gz	PMVRJAATWDEDAI-LVCYWYKZSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1	ZINC000594441234	507135908	/nfs/dbraw/zinc/13/59/08/507135908.db2.gz	PMVRJAATWDEDAI-DBXWQHBBSA-N	1	3	370.541	3.192	20	30		FGEDHO
N#CCCCC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000594452821	507141681	/nfs/dbraw/zinc/14/16/81/507141681.db2.gz	JXXOQQKQNQLYMC-GOSISDBHSA-N	1	3	360.527	3.224	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000598725262	507569204	/nfs/dbraw/zinc/56/92/04/507569204.db2.gz	WRJMXZBKKFBLCZ-IVAOSVALSA-N	1	3	355.526	3.177	20	30		FGEDHO
N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1	ZINC000595896731	507732215	/nfs/dbraw/zinc/73/22/15/507732215.db2.gz	WKLZREBTHCDWFC-JZXOWHBKSA-N	1	3	367.415	3.295	20	30		FGEDHO
C#CCOCC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000851863273	731511372	/nfs/dbraw/zinc/51/13/72/731511372.db2.gz	MIALAJWVDZGKGP-UHFFFAOYSA-N	1	3	354.416	3.251	20	30		FGEDHO
C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(OCCN(C)C)c1	ZINC000090107159	494443477	/nfs/dbraw/zinc/44/34/77/494443477.db2.gz	RZVHRDWEUZXJBO-KRWDZBQOSA-N	1	3	353.466	3.228	20	30		FGEDHO
C[C@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181415193	496385467	/nfs/dbraw/zinc/38/54/67/496385467.db2.gz	QZSNUGXWOZAURT-IBGZPJMESA-N	1	3	354.542	3.377	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1	ZINC000280863879	497926744	/nfs/dbraw/zinc/92/67/44/497926744.db2.gz	QTYLRSHGDVUMNK-JOCHJYFZSA-N	1	3	372.472	3.153	20	30		FGEDHO
N#Cc1ccc(N2CCC([NH2+]CC3(N)C4CC5CC(C4)CC3C5)CC2)cc1	ZINC000333872778	499091604	/nfs/dbraw/zinc/09/16/04/499091604.db2.gz	UVIMPMNFRIPGQV-UHFFFAOYSA-N	1	3	364.537	3.270	20	30		FGEDHO
N#Cc1ccc(N2CCC(NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)cc1	ZINC000333872778	499091608	/nfs/dbraw/zinc/09/16/08/499091608.db2.gz	UVIMPMNFRIPGQV-UHFFFAOYSA-N	1	3	364.537	3.270	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1	ZINC000373451556	499470595	/nfs/dbraw/zinc/47/05/95/499470595.db2.gz	CPSFYQKVQLLMCE-NHCUHLMSSA-N	1	3	364.493	3.108	20	30		FGEDHO
CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1	ZINC000576436592	506157684	/nfs/dbraw/zinc/15/76/84/506157684.db2.gz	WXRPAZXGJHHCIO-XMMPIXPASA-N	1	3	374.532	3.473	20	30		FGEDHO
CC(C)[NH+]1CCC(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CC1	ZINC000411752606	499786509	/nfs/dbraw/zinc/78/65/09/499786509.db2.gz	DKWQDYIYLQLWHI-HXUWFJFHSA-N	1	3	356.514	3.000	20	30		FGEDHO
CC[NH+]1CCC(N2CCCN(CC#Cc3cccc(Cl)c3)CC2)CC1	ZINC000420974430	500545422	/nfs/dbraw/zinc/54/54/22/500545422.db2.gz	DRNSPMDSTQYZQH-UHFFFAOYSA-N	1	3	359.945	3.184	20	30		FGEDHO
COCCN(C)CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1	ZINC000449113325	500928193	/nfs/dbraw/zinc/92/81/93/500928193.db2.gz	AJGKNPPHSCPSER-UHFFFAOYSA-N	1	3	359.514	3.206	20	30		FGEDHO
N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891943	504945053	/nfs/dbraw/zinc/94/50/53/504945053.db2.gz	GYBMBHHMYDUUDO-NJYVYQBISA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891943	504945054	/nfs/dbraw/zinc/94/50/54/504945054.db2.gz	GYBMBHHMYDUUDO-NJYVYQBISA-N	1	3	353.510	3.197	20	30		FGEDHO
N#C[C@@H]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1	ZINC000559891943	504945055	/nfs/dbraw/zinc/94/50/55/504945055.db2.gz	GYBMBHHMYDUUDO-NJYVYQBISA-N	1	3	353.510	3.197	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(C)C	ZINC000567149952	505377621	/nfs/dbraw/zinc/37/76/21/505377621.db2.gz	GXRHFNVZKYHRRL-ICSRJNTNSA-N	1	3	364.578	3.057	20	30		FGEDHO
N#CC1(c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2)CC1	ZINC000597013701	506731698	/nfs/dbraw/zinc/73/16/98/506731698.db2.gz	MAXHFDCJDUXYHU-UHFFFAOYSA-N	1	3	353.510	3.319	20	30		FGEDHO
C=CCN1CCC(NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1	ZINC000605339796	507152895	/nfs/dbraw/zinc/15/28/95/507152895.db2.gz	OEDHIPPKAFGFMG-UHFFFAOYSA-N	1	3	374.529	3.179	20	30		FGEDHO
C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC(C)CC1	ZINC000303900076	713790302	/nfs/dbraw/zinc/79/03/02/713790302.db2.gz	WMTBWJZZWSQAKE-CYBMUJFWSA-N	1	3	358.408	3.432	20	30		FGEDHO
C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000180553211	496041300	/nfs/dbraw/zinc/04/13/00/496041300.db2.gz	VGBNGPALJJWZDB-KRWDZBQOSA-N	1	3	353.466	3.380	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000175474015	496406437	/nfs/dbraw/zinc/40/64/37/496406437.db2.gz	NUJPXDINCKDGMV-LJQANCHMSA-N	1	3	372.557	3.237	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1	ZINC000175474015	496406438	/nfs/dbraw/zinc/40/64/38/496406438.db2.gz	NUJPXDINCKDGMV-LJQANCHMSA-N	1	3	372.557	3.237	20	30		FGEDHO
CC[N@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279644740	497496479	/nfs/dbraw/zinc/49/64/79/497496479.db2.gz	WZQWHXWQPQTLJH-OAQYLSRUSA-N	1	3	360.461	3.009	20	30		FGEDHO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000279644740	497496482	/nfs/dbraw/zinc/49/64/82/497496482.db2.gz	WZQWHXWQPQTLJH-OAQYLSRUSA-N	1	3	360.461	3.009	20	30		FGEDHO
C=CCC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000245903510	497565772	/nfs/dbraw/zinc/56/57/72/497565772.db2.gz	BOOAWOBIXQCEFL-RTWAWAEBSA-N	1	3	355.526	3.218	20	30		FGEDHO
C[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000280831507	497915290	/nfs/dbraw/zinc/91/52/90/497915290.db2.gz	OEULTUVQYKOTGL-LJQANCHMSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000280831507	497915294	/nfs/dbraw/zinc/91/52/94/497915294.db2.gz	OEULTUVQYKOTGL-LJQANCHMSA-N	1	3	352.482	3.011	20	30		FGEDHO
N#Cc1ccccc1CSCC[NH2+]C1CCN(c2ccncc2)CC1	ZINC000298444136	498774004	/nfs/dbraw/zinc/77/40/04/498774004.db2.gz	NOZBANUGCZZOHR-UHFFFAOYSA-N	1	3	352.507	3.445	20	30		FGEDHO
C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1	ZINC000369908116	499149832	/nfs/dbraw/zinc/14/98/32/499149832.db2.gz	JLSSEDGSQAJLQF-SFHVURJKSA-N	1	3	354.542	3.088	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC	ZINC000367611355	499217345	/nfs/dbraw/zinc/21/73/45/499217345.db2.gz	BUWTXQTYKAADTF-NCXUSEDFSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC	ZINC000367611355	499217347	/nfs/dbraw/zinc/21/73/47/499217347.db2.gz	BUWTXQTYKAADTF-NCXUSEDFSA-N	1	3	357.498	3.339	20	30		FGEDHO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OC	ZINC000367611355	499217349	/nfs/dbraw/zinc/21/73/49/499217349.db2.gz	BUWTXQTYKAADTF-NCXUSEDFSA-N	1	3	357.498	3.339	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336428	499422346	/nfs/dbraw/zinc/42/23/46/499422346.db2.gz	GNODZAFBXYHPJO-YFVAEKQCSA-N	1	3	355.526	3.467	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336428	499422347	/nfs/dbraw/zinc/42/23/47/499422347.db2.gz	GNODZAFBXYHPJO-YFVAEKQCSA-N	1	3	355.526	3.467	20	30		FGEDHO
C=CCN(CC=C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000433126210	500631665	/nfs/dbraw/zinc/63/16/65/500631665.db2.gz	NMVNTAGGTNPALR-UHFFFAOYSA-N	1	3	367.537	3.175	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000489677720	503009281	/nfs/dbraw/zinc/00/92/81/503009281.db2.gz	LOTVOFGSKMDLQI-FQEVSTJZSA-N	1	3	369.553	3.420	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000489677720	503009285	/nfs/dbraw/zinc/00/92/85/503009285.db2.gz	LOTVOFGSKMDLQI-FQEVSTJZSA-N	1	3	369.553	3.420	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1	ZINC000493785664	503445030	/nfs/dbraw/zinc/44/50/30/503445030.db2.gz	JOYGUEGYJJILDP-AEFFLSMTSA-N	1	3	362.518	3.049	20	30		FGEDHO
Cc1ccc(C(C)(C)NCC#CC[NH2+]C(C)(C)c2ccc(C)nc2)cn1	ZINC000560162343	505007691	/nfs/dbraw/zinc/00/76/91/505007691.db2.gz	PGSILCVPFFEFBL-UHFFFAOYSA-N	1	3	350.510	3.446	20	30		FGEDHO
N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1	ZINC000593323767	506542023	/nfs/dbraw/zinc/54/20/23/506542023.db2.gz	WRMKNVFREYYWFT-BHIFYINESA-N	1	3	352.526	3.033	20	30		FGEDHO
C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324128	506542343	/nfs/dbraw/zinc/54/23/43/506542343.db2.gz	YFQRYYYNWQOLJI-PGRDOPGGSA-N	1	3	354.542	3.423	20	30		FGEDHO
C[C@H]([NH2+]C1(CNC(=O)[C@H](N)CCCCC#N)CCCC1)c1ccccc1	ZINC000594436224	507131642	/nfs/dbraw/zinc/13/16/42/507131642.db2.gz	BWAYIYMAPDQWKX-PKOBYXMFSA-N	1	3	356.514	3.177	20	30		FGEDHO
CN1CCN(CC2(C)CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1	ZINC000614185850	507399068	/nfs/dbraw/zinc/39/90/68/507399068.db2.gz	PDVLZCWRDRLGLF-UHFFFAOYSA-N	1	3	368.569	3.337	20	30		FGEDHO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2	ZINC000639757195	717599059	/nfs/dbraw/zinc/59/90/59/717599059.db2.gz	IJBZDFXFCDANBV-KRWDZBQOSA-N	1	3	361.555	3.069	20	30		FGEDHO
N#CCCCOc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000093734996	494914691	/nfs/dbraw/zinc/91/46/91/494914691.db2.gz	MLWQFIGBDLTCBS-UHFFFAOYSA-N	1	3	371.525	3.446	20	30		FGEDHO
COc1ccc(NC(=[NH2+])NCC2CCN(Cc3cccs3)CC2)cc1	ZINC000104180808	495270655	/nfs/dbraw/zinc/27/06/55/495270655.db2.gz	AQLXYEPRSJPDEG-UHFFFAOYSA-N	1	3	358.511	3.396	20	30		FGEDHO
COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000185694849	495684115	/nfs/dbraw/zinc/68/41/15/495684115.db2.gz	LMLQPQVGJBTMRD-FUHWJXTLSA-N	1	3	357.498	3.188	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185719284	495695872	/nfs/dbraw/zinc/69/58/72/495695872.db2.gz	FEUYMSYMMSCAMW-ZBFHGGJFSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185719284	495695878	/nfs/dbraw/zinc/69/58/78/495695878.db2.gz	FEUYMSYMMSCAMW-ZBFHGGJFSA-N	1	3	360.527	3.191	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(C2CCC2)C1	ZINC000185719284	495695885	/nfs/dbraw/zinc/69/58/85/495695885.db2.gz	FEUYMSYMMSCAMW-ZBFHGGJFSA-N	1	3	360.527	3.191	20	30		FGEDHO
Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179932094	495788658	/nfs/dbraw/zinc/78/86/58/495788658.db2.gz	HFRXNZPWZJYVFO-UHFFFAOYSA-N	1	3	363.509	3.267	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000177488927	496083905	/nfs/dbraw/zinc/08/39/05/496083905.db2.gz	RUYCGUNHOXUFDV-RTBURBONSA-N	1	3	371.525	3.148	20	30		FGEDHO
CN(C)CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1	ZINC000183955259	496175233	/nfs/dbraw/zinc/17/52/33/496175233.db2.gz	CQHHXRWAHPMNMA-UHFFFAOYSA-N	1	3	354.542	3.234	20	30		FGEDHO
N#Cc1ccc2ncc(C[NH2+]CC3CCN(Cc4ccccc4)CC3)n2c1	ZINC000172339134	496259921	/nfs/dbraw/zinc/25/99/21/496259921.db2.gz	TVAFETQZPWTKGD-UHFFFAOYSA-N	1	3	359.477	3.208	20	30		FGEDHO
CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1	ZINC000265205878	497071219	/nfs/dbraw/zinc/07/12/19/497071219.db2.gz	SLZCEMANZWLMHB-UGKGYDQZSA-N	1	3	372.557	3.263	20	30		FGEDHO
CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1	ZINC000265205878	497071223	/nfs/dbraw/zinc/07/12/23/497071223.db2.gz	SLZCEMANZWLMHB-UGKGYDQZSA-N	1	3	372.557	3.263	20	30		FGEDHO
[NH2+]=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)NC1CCCCCC1	ZINC000262445013	497558375	/nfs/dbraw/zinc/55/83/75/497558375.db2.gz	IOAOEDAGWSTMTF-UHFFFAOYSA-N	1	3	360.468	3.419	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1	ZINC000373419063	499468664	/nfs/dbraw/zinc/46/86/64/499468664.db2.gz	UCYHMPVTGORUMI-VXKWHMMOSA-N	1	3	372.472	3.021	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H](N)c4ccccc43)C2)c(F)c1	ZINC000579342538	506151697	/nfs/dbraw/zinc/15/16/97/506151697.db2.gz	VRVBZXFYGWONFJ-YSSFQJQWSA-N	1	3	350.441	3.401	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1	ZINC000376805130	499635799	/nfs/dbraw/zinc/63/57/99/499635799.db2.gz	SSAPZYSYPFSRBP-HRQSHJORSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1	ZINC000376805130	499635800	/nfs/dbraw/zinc/63/58/00/499635800.db2.gz	SSAPZYSYPFSRBP-HRQSHJORSA-N	1	3	357.498	3.129	20	30		FGEDHO
C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1	ZINC000423567768	500385414	/nfs/dbraw/zinc/38/54/14/500385414.db2.gz	MGZGBMYHNNDUHZ-QGZVFWFLSA-N	1	3	366.484	3.341	20	30		FGEDHO
C=CCn1c(CCN2CCCCC2)nnc1SCCC[NH+]1CCCC1	ZINC000436187009	501085865	/nfs/dbraw/zinc/08/58/65/501085865.db2.gz	QSBRSNRDUNOUHM-UHFFFAOYSA-N	1	3	363.575	3.071	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C	ZINC000455571069	501337376	/nfs/dbraw/zinc/33/73/76/501337376.db2.gz	YEXKWRJOZYAVEE-FQEVSTJZSA-N	1	3	362.562	3.001	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1	ZINC000493785665	503446128	/nfs/dbraw/zinc/44/61/28/503446128.db2.gz	JOYGUEGYJJILDP-FUHWJXTLSA-N	1	3	362.518	3.049	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)C	ZINC000520704659	504560984	/nfs/dbraw/zinc/56/09/84/504560984.db2.gz	WTDWBVORGSWWHO-UYAOXDASSA-N	1	3	362.562	3.001	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C(C)C	ZINC000520704659	504560989	/nfs/dbraw/zinc/56/09/89/504560989.db2.gz	WTDWBVORGSWWHO-UYAOXDASSA-N	1	3	362.562	3.001	20	30		FGEDHO
N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1	ZINC000589315667	506514350	/nfs/dbraw/zinc/51/43/50/506514350.db2.gz	ONQXPXGECYNMTI-QZTJIDSGSA-N	1	3	367.415	3.044	20	30		FGEDHO
C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321371	506538996	/nfs/dbraw/zinc/53/89/96/506538996.db2.gz	IQBWZHYUGPYRRD-JPYJTQIMSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321371	506539005	/nfs/dbraw/zinc/53/90/05/506539005.db2.gz	IQBWZHYUGPYRRD-JPYJTQIMSA-N	1	3	362.521	3.071	20	30		FGEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597131446	506792487	/nfs/dbraw/zinc/79/24/87/506792487.db2.gz	WHVHSEGLSHCUNF-NRFANRHFSA-N	1	3	354.542	3.090	20	30		FGEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597131446	506792496	/nfs/dbraw/zinc/79/24/96/506792496.db2.gz	WHVHSEGLSHCUNF-NRFANRHFSA-N	1	3	354.542	3.090	20	30		FGEDHO
N#CC1(c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)cc2)CC1	ZINC000594931857	507319796	/nfs/dbraw/zinc/31/97/96/507319796.db2.gz	SPKRWCGWWAMXLI-SFTDATJTSA-N	1	3	353.510	3.099	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1	ZINC000108932949	494807649	/nfs/dbraw/zinc/80/76/49/494807649.db2.gz	VTDKGQYYHMVXNG-IBGZPJMESA-N	1	3	367.537	3.022	20	30		FGEDHO
C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1	ZINC000108932949	494807653	/nfs/dbraw/zinc/80/76/53/494807653.db2.gz	VTDKGQYYHMVXNG-IBGZPJMESA-N	1	3	367.537	3.022	20	30		FGEDHO
N#Cc1ccc2ncc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)n2c1	ZINC000123523373	495145864	/nfs/dbraw/zinc/14/58/64/495145864.db2.gz	KZVNNOQBXNZYIE-KRWDZBQOSA-N	1	3	365.506	3.269	20	30		FGEDHO
N#Cc1ccc2ncc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)n2c1	ZINC000123523373	495145869	/nfs/dbraw/zinc/14/58/69/495145869.db2.gz	KZVNNOQBXNZYIE-KRWDZBQOSA-N	1	3	365.506	3.269	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185766604	495718846	/nfs/dbraw/zinc/71/88/46/495718846.db2.gz	JHXXREMSGWJFMC-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185766604	495718853	/nfs/dbraw/zinc/71/88/53/495718853.db2.gz	JHXXREMSGWJFMC-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1	ZINC000185766604	495718858	/nfs/dbraw/zinc/71/88/58/495718858.db2.gz	JHXXREMSGWJFMC-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1	ZINC000158212486	496650832	/nfs/dbraw/zinc/65/08/32/496650832.db2.gz	DJBZODCOCNMZRI-UHFFFAOYSA-N	1	3	372.557	3.237	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1	ZINC000158212486	496650837	/nfs/dbraw/zinc/65/08/37/496650837.db2.gz	DJBZODCOCNMZRI-UHFFFAOYSA-N	1	3	372.557	3.237	20	30		FGEDHO
C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1	ZINC000271911811	497486185	/nfs/dbraw/zinc/48/61/85/497486185.db2.gz	FCHNMZFTMIRRDG-KRWDZBQOSA-N	1	3	366.484	3.296	20	30		FGEDHO
CN1CCN(CC2(C)CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1	ZINC000364940124	498219673	/nfs/dbraw/zinc/21/96/73/498219673.db2.gz	BXKVCTIQISKNCI-UHFFFAOYSA-N	1	3	368.569	3.337	20	30		FGEDHO
C=C(C)[C@@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1	ZINC000423049697	500335853	/nfs/dbraw/zinc/33/58/53/500335853.db2.gz	KGIOCFRIFWQYHQ-KBXCAEBGSA-N	1	3	366.452	3.493	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1	ZINC000437733163	500687508	/nfs/dbraw/zinc/68/75/08/500687508.db2.gz	GACRNQCVTACRQK-HXUWFJFHSA-N	1	3	362.562	3.123	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1	ZINC000437733163	500687509	/nfs/dbraw/zinc/68/75/09/500687509.db2.gz	GACRNQCVTACRQK-HXUWFJFHSA-N	1	3	362.562	3.123	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000611622477	506233495	/nfs/dbraw/zinc/23/34/95/506233495.db2.gz	LHLTUARJGOYJNC-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000611622477	506233502	/nfs/dbraw/zinc/23/35/02/506233502.db2.gz	LHLTUARJGOYJNC-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)N(CCC)CC[NH+]2CCCCCC2)CC1	ZINC000460251923	501772023	/nfs/dbraw/zinc/77/20/23/501772023.db2.gz	AEUPSVCBPGZTOM-UHFFFAOYSA-N	1	3	364.578	3.325	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000602728059	506275341	/nfs/dbraw/zinc/27/53/41/506275341.db2.gz	HXQAODUIVLZCKH-ZVDOUQERSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000602728059	506275345	/nfs/dbraw/zinc/27/53/45/506275345.db2.gz	HXQAODUIVLZCKH-ZVDOUQERSA-N	1	3	355.526	3.443	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000602728059	506275358	/nfs/dbraw/zinc/27/53/58/506275358.db2.gz	HXQAODUIVLZCKH-ZVDOUQERSA-N	1	3	355.526	3.443	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000554960533	505312736	/nfs/dbraw/zinc/31/27/36/505312736.db2.gz	OFIXRECKBIEVSE-KSEOMHKRSA-N	1	3	367.537	3.029	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000554960533	505312741	/nfs/dbraw/zinc/31/27/41/505312741.db2.gz	OFIXRECKBIEVSE-KSEOMHKRSA-N	1	3	367.537	3.029	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1	ZINC000594440978	507135047	/nfs/dbraw/zinc/13/50/47/507135047.db2.gz	KIPPFECLZNSZIJ-DBXWQHBBSA-N	1	3	370.541	3.192	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1	ZINC000111496060	495081994	/nfs/dbraw/zinc/08/19/94/495081994.db2.gz	LZQNSDHWASFUOD-GOSISDBHSA-N	1	3	364.578	3.227	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1	ZINC000111496060	495081996	/nfs/dbraw/zinc/08/19/96/495081996.db2.gz	LZQNSDHWASFUOD-GOSISDBHSA-N	1	3	364.578	3.227	20	30		FGEDHO
N#Cc1ccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1Cl	ZINC000103482410	495241784	/nfs/dbraw/zinc/24/17/84/495241784.db2.gz	JKXZCXOSDFEWOB-UHFFFAOYSA-N	1	3	374.916	3.348	20	30		FGEDHO
COc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1C#N	ZINC000130093482	495340868	/nfs/dbraw/zinc/34/08/68/495340868.db2.gz	XUMSGWSTLAIQFC-UHFFFAOYSA-N	1	3	350.466	3.310	20	30		FGEDHO
COc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1C#N	ZINC000130093482	495340872	/nfs/dbraw/zinc/34/08/72/495340872.db2.gz	XUMSGWSTLAIQFC-UHFFFAOYSA-N	1	3	350.466	3.310	20	30		FGEDHO
CN(C)CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C	ZINC000179896238	495774310	/nfs/dbraw/zinc/77/43/10/495774310.db2.gz	HILOFEWAKZCUDQ-OALUTQOASA-N	1	3	356.514	3.010	20	30		FGEDHO
C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1	ZINC000171704633	495996944	/nfs/dbraw/zinc/99/69/44/495996944.db2.gz	LYFYUQJPGAWBRR-UHFFFAOYSA-N	1	3	370.541	3.122	20	30		FGEDHO
CC(C)N1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000181699725	496509105	/nfs/dbraw/zinc/50/91/05/496509105.db2.gz	RSAQJQUVVPBRDO-OAQYLSRUSA-N	1	3	354.542	3.233	20	30		FGEDHO
C[NH+](C)Cc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1	ZINC000278678322	497187720	/nfs/dbraw/zinc/18/77/20/497187720.db2.gz	OWDMVMKZXYNFSJ-UHFFFAOYSA-N	1	3	374.492	3.210	20	30		FGEDHO
CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1	ZINC000278771292	497214977	/nfs/dbraw/zinc/21/49/77/497214977.db2.gz	PGSJNKAEPGXPSD-NRFANRHFSA-N	1	3	364.493	3.091	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1	ZINC000329749702	497888605	/nfs/dbraw/zinc/88/86/05/497888605.db2.gz	UMJZWHLTCAWQHK-AEFFLSMTSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1	ZINC000329749702	497888607	/nfs/dbraw/zinc/88/86/07/497888607.db2.gz	UMJZWHLTCAWQHK-AEFFLSMTSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1	ZINC000329749702	497888610	/nfs/dbraw/zinc/88/86/10/497888610.db2.gz	UMJZWHLTCAWQHK-AEFFLSMTSA-N	1	3	373.545	3.158	20	30		FGEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1	ZINC000329749702	497888613	/nfs/dbraw/zinc/88/86/13/497888613.db2.gz	UMJZWHLTCAWQHK-AEFFLSMTSA-N	1	3	373.545	3.158	20	30		FGEDHO
N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675172	498168518	/nfs/dbraw/zinc/16/85/18/498168518.db2.gz	ULOXFQZPDHHFTL-GOTSBHOMSA-N	1	3	361.489	3.190	20	30		FGEDHO
N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675172	498168524	/nfs/dbraw/zinc/16/85/24/498168524.db2.gz	ULOXFQZPDHHFTL-GOTSBHOMSA-N	1	3	361.489	3.190	20	30		FGEDHO
C[NH+]1CCC(Oc2ccc(CNCc3ccc(C#N)c(F)c3)cc2)CC1	ZINC000421353956	500023900	/nfs/dbraw/zinc/02/39/00/500023900.db2.gz	GPWSDQNKUOKKOY-UHFFFAOYSA-N	1	3	353.441	3.460	20	30		FGEDHO
C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422976172	500326262	/nfs/dbraw/zinc/32/62/62/500326262.db2.gz	HXJMBYZAGVLLTJ-LDQXTDLNSA-N	1	3	366.484	3.214	20	30		FGEDHO
Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000422980672	500326872	/nfs/dbraw/zinc/32/68/72/500326872.db2.gz	QKXDVAXLDFJRFG-QAPCUYQASA-N	1	3	367.472	3.179	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000562061274	505507466	/nfs/dbraw/zinc/50/74/66/505507466.db2.gz	IYTAMNSAAIIAGH-BVSLBCMMSA-N	1	3	369.553	3.253	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000562061274	505507471	/nfs/dbraw/zinc/50/74/71/505507471.db2.gz	IYTAMNSAAIIAGH-BVSLBCMMSA-N	1	3	369.553	3.253	20	30		FGEDHO
C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321372	506538219	/nfs/dbraw/zinc/53/82/19/506538219.db2.gz	IQBWZHYUGPYRRD-MBSDFSHPSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593321372	506538226	/nfs/dbraw/zinc/53/82/26/506538226.db2.gz	IQBWZHYUGPYRRD-MBSDFSHPSA-N	1	3	362.521	3.071	20	30		FGEDHO
C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065406	507373983	/nfs/dbraw/zinc/37/39/83/507373983.db2.gz	AYEIYWDTNSSZRQ-QRWLVFNGSA-N	1	3	353.441	3.115	20	30		FGEDHO
C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1	ZINC000595065406	507373987	/nfs/dbraw/zinc/37/39/87/507373987.db2.gz	AYEIYWDTNSSZRQ-QRWLVFNGSA-N	1	3	353.441	3.115	20	30		FGEDHO
[NH2+]=C(NCCCN1CCC(O)CC1)Nc1cccc(Oc2ccccc2)c1	ZINC000083031562	493991749	/nfs/dbraw/zinc/99/17/49/493991749.db2.gz	ZQWFXWMNCXFBTJ-UHFFFAOYSA-N	1	3	368.481	3.052	20	30		FGEDHO
CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[N@H+](C)C1	ZINC000118842646	495046851	/nfs/dbraw/zinc/04/68/51/495046851.db2.gz	VTTXQWBILJRDLZ-OAHLLOKOSA-N	1	3	374.554	3.101	20	30		FGEDHO
CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[N@@H+](C)C1	ZINC000118842646	495046854	/nfs/dbraw/zinc/04/68/54/495046854.db2.gz	VTTXQWBILJRDLZ-OAHLLOKOSA-N	1	3	374.554	3.101	20	30		FGEDHO
N#Cc1ccc2ncc(C[NH2+]CC3CCN(Cc4cccs4)CC3)n2c1	ZINC000123518294	495145177	/nfs/dbraw/zinc/14/51/77/495145177.db2.gz	MTSAALVAAQYZDP-UHFFFAOYSA-N	1	3	365.506	3.269	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1	ZINC000113617959	495322287	/nfs/dbraw/zinc/32/22/87/495322287.db2.gz	LCKRSTIGNIBDIZ-GOSISDBHSA-N	1	3	372.557	3.456	20	30		FGEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1	ZINC000176950972	495854826	/nfs/dbraw/zinc/85/48/26/495854826.db2.gz	OQJPJPDCLTWRMP-UHFFFAOYSA-N	1	3	354.523	3.312	20	30		FGEDHO
C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OCCOC)c(OC)c2)CC1	ZINC000152989565	496317053	/nfs/dbraw/zinc/31/70/53/496317053.db2.gz	UUCYJANTWASHKL-KRWDZBQOSA-N	1	3	362.514	3.412	20	30		FGEDHO
C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1	ZINC000182028791	496640666	/nfs/dbraw/zinc/64/06/66/496640666.db2.gz	GPSRSQCJEWNLDV-DQLDELGASA-N	1	3	357.498	3.007	20	30		FGEDHO
CN(C)CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCC1	ZINC000278583288	497156311	/nfs/dbraw/zinc/15/63/11/497156311.db2.gz	GCIDECWYYICEKF-UHFFFAOYSA-N	1	3	366.513	3.070	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1	ZINC000267390871	497540328	/nfs/dbraw/zinc/54/03/28/497540328.db2.gz	OOOKPNIMFQJGPL-RTBURBONSA-N	1	3	371.525	3.300	20	30		FGEDHO
CN(C)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCOCC1	ZINC000267429159	497550828	/nfs/dbraw/zinc/55/08/28/497550828.db2.gz	MBODLZTUAILJQG-UHFFFAOYSA-N	1	3	368.481	3.316	20	30		FGEDHO
CC1CC[NH+](CC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)CC1	ZINC000370759056	499252213	/nfs/dbraw/zinc/25/22/13/499252213.db2.gz	MIQUTFHCKXWWIF-UHFFFAOYSA-N	1	3	368.525	3.331	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336427	499422165	/nfs/dbraw/zinc/42/21/65/499422165.db2.gz	GNODZAFBXYHPJO-SLYNCCJLSA-N	1	3	355.526	3.467	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336427	499422166	/nfs/dbraw/zinc/42/21/66/499422166.db2.gz	GNODZAFBXYHPJO-SLYNCCJLSA-N	1	3	355.526	3.467	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1	ZINC000373451557	499470546	/nfs/dbraw/zinc/47/05/46/499470546.db2.gz	CPSFYQKVQLLMCE-RTWAWAEBSA-N	1	3	364.493	3.108	20	30		FGEDHO
CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(C)c2)CC1	ZINC000443958323	500783811	/nfs/dbraw/zinc/78/38/11/500783811.db2.gz	CWICAQFVRURKBW-UHFFFAOYSA-N	1	3	362.521	3.294	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000471872898	502161306	/nfs/dbraw/zinc/16/13/06/502161306.db2.gz	RMAGGSNSBAECGJ-MBOZVWFJSA-N	1	3	366.509	3.113	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549930	502810330	/nfs/dbraw/zinc/81/03/30/502810330.db2.gz	RORHPZQPCXSQHA-ZBFHGGJFSA-N	1	3	353.388	3.059	20	30		FGEDHO
CC(C#N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000470549930	502810332	/nfs/dbraw/zinc/81/03/32/502810332.db2.gz	RORHPZQPCXSQHA-ZBFHGGJFSA-N	1	3	353.388	3.059	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@@H](O)CC2(C#N)CC2)C1	ZINC000600716389	507078055	/nfs/dbraw/zinc/07/80/55/507078055.db2.gz	KYYCKARGMQSFPH-OPYAIIAOSA-N	1	3	355.526	3.309	20	30		FGEDHO
N#CC1(C[C@@H](O)C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1	ZINC000600722373	507082406	/nfs/dbraw/zinc/08/24/06/507082406.db2.gz	PLAUPYGQLSGOCU-GOSISDBHSA-N	1	3	361.917	3.196	20	30		FGEDHO
N#CC1(c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)cc2)CC1	ZINC000594931855	507319742	/nfs/dbraw/zinc/31/97/42/507319742.db2.gz	SPKRWCGWWAMXLI-NHCUHLMSSA-N	1	3	353.510	3.099	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+]CC[C@H](N)Cc3ccccc3)CC2)cc1	ZINC000602020385	507556855	/nfs/dbraw/zinc/55/68/55/507556855.db2.gz	KUBOZYMDQXOSKS-QFIPXVFZSA-N	1	3	362.521	3.072	20	30		FGEDHO
C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000876948326	736167052	/nfs/dbraw/zinc/16/70/52/736167052.db2.gz	LQJGTAUDCKXYMO-INIZCTEOSA-N	1	3	353.919	3.283	20	30		FGEDHO
CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C#N)c3C)CC2)CC1	ZINC000570940410	505617473	/nfs/dbraw/zinc/61/74/73/505617473.db2.gz	SARMKEFWGRFHBF-UHFFFAOYSA-N	1	3	354.498	3.002	20	30		FGEDHO
C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(OCCN(C)C)c1	ZINC000090107160	494443276	/nfs/dbraw/zinc/44/32/76/494443276.db2.gz	RZVHRDWEUZXJBO-QGZVFWFLSA-N	1	3	353.466	3.228	20	30		FGEDHO
N#CCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1	ZINC000136570359	495388115	/nfs/dbraw/zinc/38/81/15/495388115.db2.gz	WOPAGOFXFUFQTC-YADHBBJMSA-N	1	3	371.525	3.227	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185670937	495672786	/nfs/dbraw/zinc/67/27/86/495672786.db2.gz	GYHCRPBQBWVAFN-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185670937	495672795	/nfs/dbraw/zinc/67/27/95/495672795.db2.gz	GYHCRPBQBWVAFN-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	ZINC000185670937	495672802	/nfs/dbraw/zinc/67/28/02/495672802.db2.gz	GYHCRPBQBWVAFN-SJLPKXTDSA-N	1	3	354.498	3.129	20	30		FGEDHO
CC(C)CN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181458737	496405328	/nfs/dbraw/zinc/40/53/28/496405328.db2.gz	BWDWLGWKACXROY-UHFFFAOYSA-N	1	3	354.542	3.233	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896886	497940203	/nfs/dbraw/zinc/94/02/03/497940203.db2.gz	SSXACHAAZRNHRS-DBXWQHBBSA-N	1	3	366.509	3.115	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896887	497940678	/nfs/dbraw/zinc/94/06/78/497940678.db2.gz	SSXACHAAZRNHRS-LVCYWYKZSA-N	1	3	366.509	3.115	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000280896887	497940682	/nfs/dbraw/zinc/94/06/82/497940682.db2.gz	SSXACHAAZRNHRS-LVCYWYKZSA-N	1	3	366.509	3.115	20	30		FGEDHO
COc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)ccc1C#N	ZINC000281604315	498210221	/nfs/dbraw/zinc/21/02/21/498210221.db2.gz	GCHJNTIRGVMTGS-UHFFFAOYSA-N	1	3	353.466	3.187	20	30		FGEDHO
C=CC[N@@H+](CCCN1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000444630394	500869869	/nfs/dbraw/zinc/86/98/69/500869869.db2.gz	ZXSMFVRLXTUGNC-SFHVURJKSA-N	1	3	354.502	3.087	20	30		FGEDHO
C=CC[N@H+](CCCN1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000444630394	500869871	/nfs/dbraw/zinc/86/98/71/500869871.db2.gz	ZXSMFVRLXTUGNC-SFHVURJKSA-N	1	3	354.502	3.087	20	30		FGEDHO
C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1	ZINC000543207919	503681282	/nfs/dbraw/zinc/68/12/82/503681282.db2.gz	WDRYLNMVTMJFFZ-RTBURBONSA-N	1	3	355.526	3.464	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C(C)C	ZINC000520704657	504560547	/nfs/dbraw/zinc/56/05/47/504560547.db2.gz	WTDWBVORGSWWHO-ICSRJNTNSA-N	1	3	362.562	3.001	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C(C)C	ZINC000520704657	504560552	/nfs/dbraw/zinc/56/05/52/504560552.db2.gz	WTDWBVORGSWWHO-ICSRJNTNSA-N	1	3	362.562	3.001	20	30		FGEDHO
N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1	ZINC000551072350	505153239	/nfs/dbraw/zinc/15/32/39/505153239.db2.gz	UXVNTDFFZNVYTB-XMMPIXPASA-N	1	3	374.532	3.340	20	30		FGEDHO
N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1	ZINC000551072350	505153241	/nfs/dbraw/zinc/15/32/41/505153241.db2.gz	UXVNTDFFZNVYTB-XMMPIXPASA-N	1	3	374.532	3.340	20	30		FGEDHO
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H](N)CCCC#N)cc1	ZINC000583142438	506614016	/nfs/dbraw/zinc/61/40/16/506614016.db2.gz	WIUHBVRWEFYKCB-NRFANRHFSA-N	1	3	364.493	3.053	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000594974190	507337537	/nfs/dbraw/zinc/33/75/37/507337537.db2.gz	HMYMRCQIIMIAJJ-JOCHJYFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
CC(C)(C#N)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1	ZINC000594974190	507337547	/nfs/dbraw/zinc/33/75/47/507337547.db2.gz	HMYMRCQIIMIAJJ-JOCHJYFZSA-N	1	3	363.505	3.344	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000598594784	507510277	/nfs/dbraw/zinc/51/02/77/507510277.db2.gz	JSSFSHBMYHRXTG-UNMCSNQZSA-N	1	3	355.526	3.275	20	30		FGEDHO
CC(C)(C#N)C[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000598594784	507510283	/nfs/dbraw/zinc/51/02/83/507510283.db2.gz	JSSFSHBMYHRXTG-UNMCSNQZSA-N	1	3	355.526	3.275	20	30		FGEDHO
C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCCC[NH+](C)C)cc1	ZINC000602535768	507740333	/nfs/dbraw/zinc/74/03/33/507740333.db2.gz	SEHSHHSJFDMYBP-GOSISDBHSA-N	1	3	359.514	3.206	20	30		FGEDHO
CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000602550370	507745508	/nfs/dbraw/zinc/74/55/08/507745508.db2.gz	BKDAPWAYPOKVNZ-HOTGVXAUSA-N	1	3	371.312	3.124	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C)C1	ZINC000303872223	713789575	/nfs/dbraw/zinc/78/95/75/713789575.db2.gz	BWWYNFIFBBYTGJ-STQMWFEESA-N	1	3	358.408	3.432	20	30		FGEDHO
C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000092821050	494762759	/nfs/dbraw/zinc/76/27/59/494762759.db2.gz	JABCRWGDIWHWEY-JOCHJYFZSA-N	1	3	364.493	3.225	20	30		FGEDHO
C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000092821050	494762765	/nfs/dbraw/zinc/76/27/65/494762765.db2.gz	JABCRWGDIWHWEY-JOCHJYFZSA-N	1	3	364.493	3.225	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000106265773	495440728	/nfs/dbraw/zinc/44/07/28/495440728.db2.gz	WNBGQQXKKHDJOP-ROUUACIJSA-N	1	3	364.578	3.083	20	30		FGEDHO
N#Cc1ccc(N2CCC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c(F)c1	ZINC000160136134	495892550	/nfs/dbraw/zinc/89/25/50/495892550.db2.gz	LMZNCVJQPUINDX-IBGZPJMESA-N	1	3	356.489	3.130	20	30		FGEDHO
C=C(C)CN(CC)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C	ZINC000184747045	496516164	/nfs/dbraw/zinc/51/61/64/496516164.db2.gz	FWRFOUNMGUVAIA-OALUTQOASA-N	1	3	357.542	3.157	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000248611984	497056660	/nfs/dbraw/zinc/05/66/60/497056660.db2.gz	XTWLDCOXAHCGTN-SYYKKAFVSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000248611984	497056663	/nfs/dbraw/zinc/05/66/63/497056663.db2.gz	XTWLDCOXAHCGTN-SYYKKAFVSA-N	1	3	372.553	3.397	20	30		FGEDHO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000248611984	497056668	/nfs/dbraw/zinc/05/66/68/497056668.db2.gz	XTWLDCOXAHCGTN-SYYKKAFVSA-N	1	3	372.553	3.397	20	30		FGEDHO
CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(C#N)C3CCCCC3)CC2)CC1	ZINC000576291074	506123621	/nfs/dbraw/zinc/12/36/21/506123621.db2.gz	YBSWOXSJLQHEOL-JOCHJYFZSA-N	1	3	374.573	3.161	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1	ZINC000369341718	499393239	/nfs/dbraw/zinc/39/32/39/499393239.db2.gz	GBSQMDNUAVKWOG-YUXAGFNASA-N	1	3	356.510	3.068	20	30		FGEDHO
C#CCCOc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1	ZINC000369341718	499393241	/nfs/dbraw/zinc/39/32/41/499393241.db2.gz	GBSQMDNUAVKWOG-YUXAGFNASA-N	1	3	356.510	3.068	20	30		FGEDHO
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1	ZINC000373419065	499468584	/nfs/dbraw/zinc/46/85/84/499468584.db2.gz	UCYHMPVTGORUMI-YADHBBJMSA-N	1	3	372.472	3.021	20	30		FGEDHO
C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F	ZINC000414309414	499776444	/nfs/dbraw/zinc/77/64/44/499776444.db2.gz	RHOKUYVVUGDKKN-QGZVFWFLSA-N	1	3	367.468	3.375	20	30		FGEDHO
CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(C#N)cc1	ZINC000482148109	501989679	/nfs/dbraw/zinc/98/96/79/501989679.db2.gz	YMMHRCVPBGTMIL-UYAOXDASSA-N	1	3	356.514	3.377	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C(C)C	ZINC000474064684	502795260	/nfs/dbraw/zinc/79/52/60/502795260.db2.gz	YNHSRZIDHSRKBI-MHJFOBGBSA-N	1	3	362.562	3.001	20	30		FGEDHO
C[N@H+](CCOc1cccc(C#N)c1)CC1CCN(c2ccncc2)CC1	ZINC000501030632	502915553	/nfs/dbraw/zinc/91/55/53/502915553.db2.gz	MJRBCCRIXGFSDK-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
C[N@@H+](CCOc1cccc(C#N)c1)CC1CCN(c2ccncc2)CC1	ZINC000501030632	502915556	/nfs/dbraw/zinc/91/55/56/502915556.db2.gz	MJRBCCRIXGFSDK-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000506618707	503144799	/nfs/dbraw/zinc/14/47/99/503144799.db2.gz	UBKHIHVOTZVNCJ-UHFFFAOYSA-N	1	3	362.905	3.345	20	30		FGEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C	ZINC000503433098	503408092	/nfs/dbraw/zinc/40/80/92/503408092.db2.gz	BALSEBFSWJRHDE-SFHVURJKSA-N	1	3	364.578	3.293	20	30		FGEDHO
C[C@@H](O)C[C@@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469104	503562495	/nfs/dbraw/zinc/56/24/95/503562495.db2.gz	OANMBDTYZPNDLQ-LRSLUSHPSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O	ZINC000512469104	503562497	/nfs/dbraw/zinc/56/24/97/503562497.db2.gz	OANMBDTYZPNDLQ-LRSLUSHPSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469104	503562500	/nfs/dbraw/zinc/56/25/00/503562500.db2.gz	OANMBDTYZPNDLQ-LRSLUSHPSA-N	1	3	364.574	3.021	20	30		FGEDHO
C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC#CCN1CCCCC[C@H]1C[C@H](C)O	ZINC000512469104	503562503	/nfs/dbraw/zinc/56/25/03/503562503.db2.gz	OANMBDTYZPNDLQ-LRSLUSHPSA-N	1	3	364.574	3.021	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000554960534	505312956	/nfs/dbraw/zinc/31/29/56/505312956.db2.gz	OFIXRECKBIEVSE-NNWRFLSQSA-N	1	3	367.537	3.029	20	30		FGEDHO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000554960534	505312959	/nfs/dbraw/zinc/31/29/59/505312959.db2.gz	OFIXRECKBIEVSE-NNWRFLSQSA-N	1	3	367.537	3.029	20	30		FGEDHO
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CNCC[C@@H]3c3ccccc3)CC2)cc1	ZINC000596647735	506507993	/nfs/dbraw/zinc/50/79/93/506507993.db2.gz	AIAIPCWJUQRYGC-DNQXCXABSA-N	1	3	374.532	3.258	20	30		FGEDHO
N#Cc1ccc(CN2CCC(N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)cc1	ZINC000596647735	506508000	/nfs/dbraw/zinc/50/80/00/506508000.db2.gz	AIAIPCWJUQRYGC-DNQXCXABSA-N	1	3	374.532	3.258	20	30		FGEDHO
N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)c1	ZINC000593323032	506540616	/nfs/dbraw/zinc/54/06/16/506540616.db2.gz	ONDGLCRJQPBIQS-RJGXRXQPSA-N	1	3	366.553	3.423	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccccc2C[NH+](CC)CC)CC1	ZINC000592293938	507598678	/nfs/dbraw/zinc/59/86/78/507598678.db2.gz	HRVWNGQTDJLDED-UHFFFAOYSA-N	1	3	372.557	3.368	20	30		FGEDHO
CN1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)(N2CCCCC2)CC1	ZINC000611393103	507658881	/nfs/dbraw/zinc/65/88/81/507658881.db2.gz	JQOIRNVOIHKCBI-JOCHJYFZSA-N	1	3	366.553	3.476	20	30		FGEDHO
COCCN(Cc1cc(Cl)ccc1OCC#N)CC1CC[NH+](C)CC1	ZINC000879125157	736958537	/nfs/dbraw/zinc/95/85/37/736958537.db2.gz	RMIYLCJFMSFFGB-UHFFFAOYSA-N	1	3	365.905	3.033	20	30		FGEDHO
C=CCC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1	ZINC000570942565	505617914	/nfs/dbraw/zinc/61/79/14/505617914.db2.gz	YGLOCRMXVGKYLJ-UHFFFAOYSA-N	1	3	361.574	3.435	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1	ZINC000106262904	495440654	/nfs/dbraw/zinc/44/06/54/495440654.db2.gz	SDYPNIKMHWWECW-UHFFFAOYSA-N	1	3	372.557	3.367	20	30		FGEDHO
C=C(C)CN1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1	ZINC000106262904	495440659	/nfs/dbraw/zinc/44/06/59/495440659.db2.gz	SDYPNIKMHWWECW-UHFFFAOYSA-N	1	3	372.557	3.367	20	30		FGEDHO
CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000151005196	495708705	/nfs/dbraw/zinc/70/87/05/495708705.db2.gz	REBWGKXKVSRDLB-SFHVURJKSA-N	1	3	370.541	3.179	20	30		FGEDHO
Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179970256	495805574	/nfs/dbraw/zinc/80/55/74/495805574.db2.gz	WMEPVERBAORCJO-UHFFFAOYSA-N	1	3	351.498	3.122	20	30		FGEDHO
N#Cc1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000176984354	495870752	/nfs/dbraw/zinc/87/07/52/495870752.db2.gz	XJIQCMJMTHMIPL-UHFFFAOYSA-N	1	3	353.466	3.312	20	30		FGEDHO
C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(OCC[NH+](C)C)c1	ZINC000180553715	496041885	/nfs/dbraw/zinc/04/18/85/496041885.db2.gz	PTKXNTPMPOMTDJ-KRWDZBQOSA-N	1	3	353.466	3.380	20	30		FGEDHO
C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000280615325	497826182	/nfs/dbraw/zinc/82/61/82/497826182.db2.gz	KMGOJSWJAHJTRO-SIKLNZKXSA-N	1	3	357.542	3.288	20	30		FGEDHO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21	ZINC000330204153	498060796	/nfs/dbraw/zinc/06/07/96/498060796.db2.gz	BJBMFWJRJYKVIT-FGTMMUONSA-N	1	3	357.498	3.319	20	30		FGEDHO
C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1	ZINC000424151023	500460594	/nfs/dbraw/zinc/46/05/94/500460594.db2.gz	GXXDHPSBFQOJOO-FQEVSTJZSA-N	1	3	356.514	3.088	20	30		FGEDHO
C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1	ZINC000424151023	500460596	/nfs/dbraw/zinc/46/05/96/500460596.db2.gz	GXXDHPSBFQOJOO-FQEVSTJZSA-N	1	3	356.514	3.088	20	30		FGEDHO
CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)cc2)CC1	ZINC000443965924	500784788	/nfs/dbraw/zinc/78/47/88/500784788.db2.gz	MXRSSDSNWWGVQK-UHFFFAOYSA-N	1	3	362.521	3.294	20	30		FGEDHO
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959801	502183941	/nfs/dbraw/zinc/18/39/41/502183941.db2.gz	ZGCMJKNOCQZTEZ-PMACEKPBSA-N	1	3	352.482	3.011	20	30		FGEDHO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959801	502183945	/nfs/dbraw/zinc/18/39/45/502183945.db2.gz	ZGCMJKNOCQZTEZ-PMACEKPBSA-N	1	3	352.482	3.011	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000507460946	503302781	/nfs/dbraw/zinc/30/27/81/503302781.db2.gz	KDDNYOMYVSLOQX-YMPZKCBVSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000507460946	503302783	/nfs/dbraw/zinc/30/27/83/503302783.db2.gz	KDDNYOMYVSLOQX-YMPZKCBVSA-N	1	3	361.489	3.437	20	30		FGEDHO
N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1	ZINC000507460946	503302785	/nfs/dbraw/zinc/30/27/85/503302785.db2.gz	KDDNYOMYVSLOQX-YMPZKCBVSA-N	1	3	361.489	3.437	20	30		FGEDHO
C=CCN1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1	ZINC000518058100	503900654	/nfs/dbraw/zinc/90/06/54/503900654.db2.gz	DNHOKBHWOPENMN-UHFFFAOYSA-N	1	3	370.541	3.487	20	30		FGEDHO
C=C[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1	ZINC000534694693	504217402	/nfs/dbraw/zinc/21/74/02/504217402.db2.gz	DHXYVSWYDJNUAJ-FPOVZHCZSA-N	1	3	357.542	3.221	20	30		FGEDHO
C=C[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1	ZINC000534694693	504217406	/nfs/dbraw/zinc/21/74/06/504217406.db2.gz	DHXYVSWYDJNUAJ-FPOVZHCZSA-N	1	3	357.542	3.221	20	30		FGEDHO
N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1	ZINC000589315668	506515364	/nfs/dbraw/zinc/51/53/64/506515364.db2.gz	ONQXPXGECYNMTI-ROUUACIJSA-N	1	3	367.415	3.044	20	30		FGEDHO
N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1	ZINC000593323984	506541412	/nfs/dbraw/zinc/54/14/12/506541412.db2.gz	WRMKNVFREYYWFT-FDFHNCONSA-N	1	3	352.526	3.033	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1	ZINC000594441237	507135612	/nfs/dbraw/zinc/13/56/12/507135612.db2.gz	PMVRJAATWDEDAI-UEXGIBASSA-N	1	3	370.541	3.192	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1	ZINC000594441237	507135616	/nfs/dbraw/zinc/13/56/16/507135616.db2.gz	PMVRJAATWDEDAI-UEXGIBASSA-N	1	3	370.541	3.192	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2	ZINC000598594782	507511135	/nfs/dbraw/zinc/51/11/35/507511135.db2.gz	JSSFSHBMYHRXTG-IRLDBZIGSA-N	1	3	355.526	3.275	20	30		FGEDHO
CC(C)(C#N)C[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000598594782	507511140	/nfs/dbraw/zinc/51/11/40/507511140.db2.gz	JSSFSHBMYHRXTG-IRLDBZIGSA-N	1	3	355.526	3.275	20	30		FGEDHO
C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCC[C@H](C)C1	ZINC000305240054	713792799	/nfs/dbraw/zinc/79/27/99/713792799.db2.gz	QRBJBMKSFIRDAX-STQMWFEESA-N	1	3	358.408	3.432	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC[C@H](O)c2cccc(Br)c2)CC1	ZINC000819023116	727339278	/nfs/dbraw/zinc/33/92/78/727339278.db2.gz	AXDFZGSAKHJMOT-KRWDZBQOSA-N	1	3	353.304	3.113	20	30		FGEDHO
CS[C@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](SC)C3)c2)C1	ZINC000878665769	736905675	/nfs/dbraw/zinc/90/56/75/736905675.db2.gz	LPLHCADQTSVQKA-OALUTQOASA-N	1	3	361.580	3.433	20	30		FGEDHO
CS[C@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](SC)C3)c2)C1	ZINC000878665769	736905676	/nfs/dbraw/zinc/90/56/76/736905676.db2.gz	LPLHCADQTSVQKA-OALUTQOASA-N	1	3	361.580	3.433	20	30		FGEDHO
CCN1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000113330766	495297393	/nfs/dbraw/zinc/29/73/93/495297393.db2.gz	BKMXXRRPBDQADH-GOSISDBHSA-N	1	3	351.498	3.285	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2	ZINC000574611995	505813828	/nfs/dbraw/zinc/81/38/28/505813828.db2.gz	RFGBGHPOHKNAFB-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2	ZINC000574611995	505813831	/nfs/dbraw/zinc/81/38/31/505813831.db2.gz	RFGBGHPOHKNAFB-JTHBVZDNSA-N	1	3	361.489	3.292	20	30		FGEDHO
CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000175013405	496207015	/nfs/dbraw/zinc/20/70/15/496207015.db2.gz	FMVOPHHMJAFZHS-VQTJNVASSA-N	1	3	351.498	3.426	20	30		FGEDHO
CC[NH+](CC)Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000280891689	497938394	/nfs/dbraw/zinc/93/83/94/497938394.db2.gz	SJJMCGXQXKEBOL-JOCHJYFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912051	497946924	/nfs/dbraw/zinc/94/69/24/497946924.db2.gz	UNYFSCMHYIVACG-FXAWDEMLSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280912051	497946927	/nfs/dbraw/zinc/94/69/27/497946927.db2.gz	UNYFSCMHYIVACG-FXAWDEMLSA-N	1	3	352.482	3.011	20	30		FGEDHO
CC1CCN(C(=[NH2+])NCCCOC2CCN(Cc3ccccc3)CC2)CC1	ZINC000304713537	498735098	/nfs/dbraw/zinc/73/50/98/498735098.db2.gz	MREDWTLBNVNFOQ-UHFFFAOYSA-N	1	3	372.557	3.104	20	30		FGEDHO
C[NH+](C)CC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000371392953	499319913	/nfs/dbraw/zinc/31/99/13/499319913.db2.gz	VUZGBJYWQCDBKM-UHFFFAOYSA-N	1	3	351.498	3.237	20	30		FGEDHO
COc1ccc(C#N)cc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000372951220	499444488	/nfs/dbraw/zinc/44/44/88/499444488.db2.gz	WEGAOWIPMRVXCY-UHFFFAOYSA-N	1	3	350.466	3.310	20	30		FGEDHO
CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1OC	ZINC000482141649	501987795	/nfs/dbraw/zinc/98/77/95/501987795.db2.gz	KJJIBUQPPQYJQZ-MOPGFXCFSA-N	1	3	359.514	3.436	20	30		FGEDHO
CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C#N)cc1OC	ZINC000482141652	501988090	/nfs/dbraw/zinc/98/80/90/501988090.db2.gz	KJJIBUQPPQYJQZ-RTBURBONSA-N	1	3	359.514	3.436	20	30		FGEDHO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959803	502183748	/nfs/dbraw/zinc/18/37/48/502183748.db2.gz	ZGCMJKNOCQZTEZ-VQTJNVASSA-N	1	3	352.482	3.011	20	30		FGEDHO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959803	502183750	/nfs/dbraw/zinc/18/37/50/502183750.db2.gz	ZGCMJKNOCQZTEZ-VQTJNVASSA-N	1	3	352.482	3.011	20	30		FGEDHO
C[N@H+](CCOc1ccccc1C#N)CC1CCN(c2ccncc2)CC1	ZINC000501023752	502914235	/nfs/dbraw/zinc/91/42/35/502914235.db2.gz	VDXVRMIJFALTNO-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
C[N@@H+](CCOc1ccccc1C#N)CC1CCN(c2ccncc2)CC1	ZINC000501023752	502914240	/nfs/dbraw/zinc/91/42/40/502914240.db2.gz	VDXVRMIJFALTNO-UHFFFAOYSA-N	1	3	350.466	3.180	20	30		FGEDHO
CC[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000593252330	506495356	/nfs/dbraw/zinc/49/53/56/506495356.db2.gz	XFFZMYKBSUWNFX-HXUWFJFHSA-N	1	3	366.509	3.401	20	30		FGEDHO
CC[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000593252330	506495360	/nfs/dbraw/zinc/49/53/60/506495360.db2.gz	XFFZMYKBSUWNFX-HXUWFJFHSA-N	1	3	366.509	3.401	20	30		FGEDHO
N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)c1	ZINC000593323033	506539805	/nfs/dbraw/zinc/53/98/05/506539805.db2.gz	ONDGLCRJQPBIQS-XPWALMASSA-N	1	3	366.553	3.423	20	30		FGEDHO
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716354	507078015	/nfs/dbraw/zinc/07/80/15/507078015.db2.gz	KPKDVSVCBLCXTK-OPYAIIAOSA-N	1	3	355.526	3.309	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc2)CC1	ZINC000594974235	507338383	/nfs/dbraw/zinc/33/83/83/507338383.db2.gz	IYIQTALOISPFGT-QFIPXVFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
N#CC1(c2ccc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc2)CC1	ZINC000594974235	507338390	/nfs/dbraw/zinc/33/83/90/507338390.db2.gz	IYIQTALOISPFGT-QFIPXVFZSA-N	1	3	361.489	3.098	20	30		FGEDHO
C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(CC)CC1	ZINC000041635193	695764891	/nfs/dbraw/zinc/76/48/91/695764891.db2.gz	PSKVORMLJUDYOE-UHFFFAOYSA-N	1	3	351.288	3.035	20	30		FGEDHO
COC1CCN(C2(CNC(=[NH2+])NC3CCCCCC3)CCCC2)CC1	ZINC000261963619	713716394	/nfs/dbraw/zinc/71/63/94/713716394.db2.gz	AERFVLCNOGUIRS-UHFFFAOYSA-N	1	3	350.551	3.037	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185766580	495718896	/nfs/dbraw/zinc/71/88/96/495718896.db2.gz	JHXXREMSGWJFMC-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185766580	495718898	/nfs/dbraw/zinc/71/88/98/495718898.db2.gz	JHXXREMSGWJFMC-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(C2CCC2)C1	ZINC000185766580	495718903	/nfs/dbraw/zinc/71/89/03/495718903.db2.gz	JHXXREMSGWJFMC-FUHWJXTLSA-N	1	3	354.498	3.129	20	30		FGEDHO
C[C@H]1CN(CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000177508231	496091369	/nfs/dbraw/zinc/09/13/69/496091369.db2.gz	RABKUBGDIQYTKP-OALUTQOASA-N	1	3	371.525	3.148	20	30		FGEDHO
CC[NH+](CC)Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280753726	497884551	/nfs/dbraw/zinc/88/45/51/497884551.db2.gz	IDSQDOFHSXWJLG-QFIPXVFZSA-N	1	3	374.488	3.399	20	30		FGEDHO
O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCN1C1CCCC1	ZINC000328940395	498993620	/nfs/dbraw/zinc/99/36/20/498993620.db2.gz	KSHSEKPOUOZRSC-AABGKKOBSA-N	1	3	363.546	3.118	20	30		FGEDHO
CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)CC1	ZINC000576317115	506128596	/nfs/dbraw/zinc/12/85/96/506128596.db2.gz	RCQGDTLWPZRMGZ-XMMPIXPASA-N	1	3	374.532	3.473	20	30		FGEDHO
C=CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1	ZINC000397625246	499564644	/nfs/dbraw/zinc/56/46/44/499564644.db2.gz	XOWSOSVPWLHWOM-UHFFFAOYSA-N	1	3	366.505	3.368	20	30		FGEDHO
C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000501071110	502928291	/nfs/dbraw/zinc/92/82/91/502928291.db2.gz	UYCTZCDOGHKKEP-SFHVURJKSA-N	1	3	358.530	3.043	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC[C@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716353	507078103	/nfs/dbraw/zinc/07/81/03/507078103.db2.gz	KPKDVSVCBLCXTK-LVCYWYKZSA-N	1	3	355.526	3.309	20	30		FGEDHO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@H](O)CC3(C#N)CC3)cc2)C1	ZINC000600716353	507078105	/nfs/dbraw/zinc/07/81/05/507078105.db2.gz	KPKDVSVCBLCXTK-LVCYWYKZSA-N	1	3	355.526	3.309	20	30		FGEDHO
CCCCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000754849704	722946929	/nfs/dbraw/zinc/94/69/29/722946929.db2.gz	JIWNQZQCRSMGTC-UHFFFAOYSA-N	1	3	352.567	3.205	20	30		FGEDHO
C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1	ZINC001039133837	766292077	/nfs/dbraw/zinc/29/20/77/766292077.db2.gz	WLCKIWADGBTZEF-CEXWTWQISA-N	1	3	367.965	3.030	20	30		FGEDHO
C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1	ZINC001039133837	766292085	/nfs/dbraw/zinc/29/20/85/766292085.db2.gz	WLCKIWADGBTZEF-CEXWTWQISA-N	1	3	367.965	3.030	20	30		FGEDHO
CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000109787476	494918327	/nfs/dbraw/zinc/91/83/27/494918327.db2.gz	VHPDLKUUNJPTMI-UHFFFAOYSA-N	1	3	362.905	3.346	20	30		FGEDHO
CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000173638208	495627126	/nfs/dbraw/zinc/62/71/26/495627126.db2.gz	FBMLZUFPLIJQSH-HNNXBMFYSA-N	1	3	374.554	3.243	20	30		FGEDHO
CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000173638208	495627128	/nfs/dbraw/zinc/62/71/28/495627128.db2.gz	FBMLZUFPLIJQSH-HNNXBMFYSA-N	1	3	374.554	3.243	20	30		FGEDHO
N#C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1	ZINC000185785698	495725420	/nfs/dbraw/zinc/72/54/20/495725420.db2.gz	XTSXAJFHUFVVQP-FGZHOGPDSA-N	1	3	354.542	3.256	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2	ZINC000574611981	505813698	/nfs/dbraw/zinc/81/36/98/505813698.db2.gz	RFGBGHPOHKNAFB-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2	ZINC000574611981	505813701	/nfs/dbraw/zinc/81/37/01/505813701.db2.gz	RFGBGHPOHKNAFB-FYYLOGMGSA-N	1	3	361.489	3.292	20	30		FGEDHO
C=C(C)COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OC	ZINC000268953799	496833487	/nfs/dbraw/zinc/83/34/87/496833487.db2.gz	FQNHHWKALZVCIE-PMACEKPBSA-N	1	3	374.525	3.118	20	30		FGEDHO
N#Cc1cccc(NC(=O)C2CC[NH+](CCCN3CCCCC3)CC2)c1	ZINC000275437148	497326551	/nfs/dbraw/zinc/32/65/51/497326551.db2.gz	ILNJPZWQWHHERZ-UHFFFAOYSA-N	1	3	354.498	3.085	20	30		FGEDHO
Cc1ccc(NC(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)cc1C	ZINC000267388741	497540515	/nfs/dbraw/zinc/54/05/15/497540515.db2.gz	CJVVNEFIDYVMLZ-UHFFFAOYSA-N	1	3	366.509	3.187	20	30		FGEDHO
N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675167	498168158	/nfs/dbraw/zinc/16/81/58/498168158.db2.gz	ULOXFQZPDHHFTL-DHIUTWEWSA-N	1	3	361.489	3.190	20	30		FGEDHO
N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1	ZINC000285675167	498168163	/nfs/dbraw/zinc/16/81/63/498168163.db2.gz	ULOXFQZPDHHFTL-DHIUTWEWSA-N	1	3	361.489	3.190	20	30		FGEDHO
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336426	499422087	/nfs/dbraw/zinc/42/20/87/499422087.db2.gz	GNODZAFBXYHPJO-QFUCXCTJSA-N	1	3	355.526	3.467	20	30		FGEDHO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000372336426	499422089	/nfs/dbraw/zinc/42/20/89/499422089.db2.gz	GNODZAFBXYHPJO-QFUCXCTJSA-N	1	3	355.526	3.467	20	30		FGEDHO
C=CCOc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1	ZINC000415139976	499869658	/nfs/dbraw/zinc/86/96/58/499869658.db2.gz	YKAYGPOJWKGBKI-UHFFFAOYSA-N	1	3	365.521	3.335	20	30		FGEDHO
C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F	ZINC000423577951	500386134	/nfs/dbraw/zinc/38/61/34/500386134.db2.gz	TVHIDFLADJSRAO-QGZVFWFLSA-N	1	3	366.484	3.341	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C	ZINC000448462148	500761977	/nfs/dbraw/zinc/76/19/77/500761977.db2.gz	QXCCCJHOYNKWAE-SLFFLAALSA-N	1	3	364.578	3.057	20	30		FGEDHO
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C	ZINC000448462148	500761979	/nfs/dbraw/zinc/76/19/79/500761979.db2.gz	QXCCCJHOYNKWAE-SLFFLAALSA-N	1	3	364.578	3.057	20	30		FGEDHO
CC(C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCC(C)CC1	ZINC000470808315	501810207	/nfs/dbraw/zinc/81/02/07/501810207.db2.gz	NZUSPXFDYXJQEZ-NHCUHLMSSA-N	1	3	366.509	3.113	20	30		FGEDHO
C[NH+](C)CCOc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccn1	ZINC000481680318	501846855	/nfs/dbraw/zinc/84/68/55/501846855.db2.gz	YPDYXINPXMUEEZ-OAQYLSRUSA-N	1	3	364.493	3.451	20	30		FGEDHO
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959804	502183614	/nfs/dbraw/zinc/18/36/14/502183614.db2.gz	ZGCMJKNOCQZTEZ-WOJBJXKFSA-N	1	3	352.482	3.011	20	30		FGEDHO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000471959804	502183618	/nfs/dbraw/zinc/18/36/18/502183618.db2.gz	ZGCMJKNOCQZTEZ-WOJBJXKFSA-N	1	3	352.482	3.011	20	30		FGEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1	ZINC000493785667	503446473	/nfs/dbraw/zinc/44/64/73/503446473.db2.gz	JOYGUEGYJJILDP-WMZOPIPTSA-N	1	3	362.518	3.049	20	30		FGEDHO