smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000194750365	165071603	/nfs/dbraw/zinc/07/16/03/165071603.db2.gz	ULZNYFLMXJQGNQ-ZDUSSCGKSA-N	1	2	332.404	0.243	10	30		ECEELO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000194750365	165071607	/nfs/dbraw/zinc/07/16/07/165071607.db2.gz	ULZNYFLMXJQGNQ-ZDUSSCGKSA-N	1	2	332.404	0.243	10	30		ECEELO
CCOc1ccnc(N2CC[NH+](CC(=O)N(CC)CCC#N)CC2)n1	ZINC000105868600	436583294	/nfs/dbraw/zinc/58/32/94/436583294.db2.gz	XUCXBIZYAZOSQH-UHFFFAOYSA-N	1	2	346.435	0.759	10	30		ECEELO
C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000177233499	437175964	/nfs/dbraw/zinc/17/59/64/437175964.db2.gz	NWQADBDCGHOKRL-HOTGVXAUSA-N	1	2	334.464	0.982	10	30		ECEELO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C	ZINC000185179715	437429784	/nfs/dbraw/zinc/42/97/84/437429784.db2.gz	MFWXOHWPKQAFHP-CVEARBPZSA-N	1	2	331.416	0.978	10	30		ECEELO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1C	ZINC000185179715	437429787	/nfs/dbraw/zinc/42/97/87/437429787.db2.gz	MFWXOHWPKQAFHP-CVEARBPZSA-N	1	2	331.416	0.978	10	30		ECEELO
COc1cc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1C#N	ZINC000886026662	590786935	/nfs/dbraw/zinc/78/69/35/590786935.db2.gz	CQHBCYPOBFVVEA-GOSISDBHSA-N	1	2	344.415	0.329	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000247233113	205272989	/nfs/dbraw/zinc/27/29/89/205272989.db2.gz	RLWRKAWMUXXTTH-KGLIPLIRSA-N	1	2	335.408	0.293	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000247233113	205272993	/nfs/dbraw/zinc/27/29/93/205272993.db2.gz	RLWRKAWMUXXTTH-KGLIPLIRSA-N	1	2	335.408	0.293	10	30		ECEELO
N#Cc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000302688545	268323720	/nfs/dbraw/zinc/32/37/20/268323720.db2.gz	BSKHQZMYJNOYNV-UHFFFAOYSA-N	1	2	344.375	0.606	10	30		ECEELO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000121542427	436718793	/nfs/dbraw/zinc/71/87/93/436718793.db2.gz	DWYMPPPVGGXILA-HNNXBMFYSA-N	1	2	328.368	0.700	10	30		ECEELO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N(C)CCC#N	ZINC000069772154	203047721	/nfs/dbraw/zinc/04/77/21/203047721.db2.gz	ULYDMJOHZYMAIT-GFCCVEGCSA-N	1	2	338.433	0.699	10	30		ECEELO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N(C)CCC#N	ZINC000069772154	203047725	/nfs/dbraw/zinc/04/77/25/203047725.db2.gz	ULYDMJOHZYMAIT-GFCCVEGCSA-N	1	2	338.433	0.699	10	30		ECEELO
C=CCNC(=O)CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1	ZINC000181176249	437313287	/nfs/dbraw/zinc/31/32/87/437313287.db2.gz	JRIOQDUJEBNBRJ-UHFFFAOYSA-N	1	2	348.451	0.166	10	30		ECEELO
C[C@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@H]1[NH+]1CCOCC1	ZINC000900881824	586672317	/nfs/dbraw/zinc/67/23/17/586672317.db2.gz	URRTUVOJASWXMJ-MAUKXSAKSA-N	1	2	328.412	0.823	10	30		ECEELO
C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@@H]21	ZINC000329158769	740438946	/nfs/dbraw/zinc/43/89/46/740438946.db2.gz	CZYGJHCQFCRDEL-DTWKUNHWSA-N	1	2	348.329	0.642	10	30		ECEELO
C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@@H]21	ZINC000329158769	740438952	/nfs/dbraw/zinc/43/89/52/740438952.db2.gz	CZYGJHCQFCRDEL-DTWKUNHWSA-N	1	2	348.329	0.642	10	30		ECEELO
N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000174002279	164865477	/nfs/dbraw/zinc/86/54/77/164865477.db2.gz	DJFLSIWMOAIZIR-MRXNPFEDSA-N	1	2	335.429	0.795	10	30		ECEELO
CC(C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1	ZINC000302723146	437149100	/nfs/dbraw/zinc/14/91/00/437149100.db2.gz	MFNMVDZPWUNBDB-UHFFFAOYSA-N	1	2	332.364	0.508	10	30		ECEELO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(NC(=O)C3CCC3)C2)cc1	ZINC000185935936	437456395	/nfs/dbraw/zinc/45/63/95/437456395.db2.gz	JOKFNDLCXDNVSV-INIZCTEOSA-N	1	2	329.400	0.898	10	30		ECEELO
C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C(=O)N1CCCCC1	ZINC000329133318	279180936	/nfs/dbraw/zinc/18/09/36/279180936.db2.gz	PNCHVJGCVRIKNZ-ZNMIVQPWSA-N	1	2	338.452	0.706	10	30		ECEELO
C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C(=O)N1CCCCC1	ZINC000329133318	279180937	/nfs/dbraw/zinc/18/09/37/279180937.db2.gz	PNCHVJGCVRIKNZ-ZNMIVQPWSA-N	1	2	338.452	0.706	10	30		ECEELO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH+]1CCOCC1	ZINC000135811138	436925673	/nfs/dbraw/zinc/92/56/73/436925673.db2.gz	BVIFDELKPWPCAM-LLVKDONJSA-N	1	2	334.351	0.473	10	30		ECEELO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCOC[C@H]1C	ZINC000301394117	437120524	/nfs/dbraw/zinc/12/05/24/437120524.db2.gz	KCTLXSPZTNADEM-VXGBXAGGSA-N	1	2	338.433	0.727	10	30		ECEELO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+]1CCOC[C@H]1C	ZINC000301394117	437120525	/nfs/dbraw/zinc/12/05/25/437120525.db2.gz	KCTLXSPZTNADEM-VXGBXAGGSA-N	1	2	338.433	0.727	10	30		ECEELO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892729	436584854	/nfs/dbraw/zinc/58/48/54/436584854.db2.gz	GFUOUWSDGVYGPH-ZBFHGGJFSA-N	1	2	333.436	0.901	10	30		ECEELO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892729	436584856	/nfs/dbraw/zinc/58/48/56/436584856.db2.gz	GFUOUWSDGVYGPH-ZBFHGGJFSA-N	1	2	333.436	0.901	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000117522235	436657949	/nfs/dbraw/zinc/65/79/49/436657949.db2.gz	SOWWMMNENQMRLI-CYBMUJFWSA-N	1	2	330.388	0.676	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000117522235	436657952	/nfs/dbraw/zinc/65/79/52/436657952.db2.gz	SOWWMMNENQMRLI-CYBMUJFWSA-N	1	2	330.388	0.676	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000174007321	437072455	/nfs/dbraw/zinc/07/24/55/437072455.db2.gz	YJANOXQKHQDXMW-MRXNPFEDSA-N	1	2	327.384	0.540	10	30		ECEELO
C[C@@H](C#N)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000182869228	437366024	/nfs/dbraw/zinc/36/60/24/437366024.db2.gz	QVPLJDNSGIXWCO-JKSUJKDBSA-N	1	2	346.431	0.913	10	30		ECEELO
CCN1CCO[C@@H](CNc2cncc(C#N)n2)[C@@H]1c1[nH+]ccn1C	ZINC000886082038	590792825	/nfs/dbraw/zinc/79/28/25/590792825.db2.gz	XMYGLJDLFFESID-DZGCQCFKSA-N	1	2	327.392	0.956	10	30		ECEELO
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1[NH+]1CCOCC1	ZINC000121682071	278391205	/nfs/dbraw/zinc/39/12/05/278391205.db2.gz	MMSMYFMFMINPIB-GOEBONIOSA-N	1	2	342.395	0.946	10	30		ECEELO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000180246155	437283346	/nfs/dbraw/zinc/28/33/46/437283346.db2.gz	YKCWSRWBAQGNQD-BBRMVZONSA-N	1	2	342.399	0.676	10	30		ECEELO
N#Cc1ccc(C2(C(=O)NC[C@H](O)C[NH+]3CCOCC3)CC2)cc1	ZINC000187804179	437514792	/nfs/dbraw/zinc/51/47/92/437514792.db2.gz	RDPRMMAJDSPKOF-INIZCTEOSA-N	1	2	329.400	0.399	10	30		ECEELO
C[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@H]1[NH+]1CCOCC1	ZINC000900881823	586672368	/nfs/dbraw/zinc/67/23/68/586672368.db2.gz	URRTUVOJASWXMJ-CRAIPNDOSA-N	1	2	328.412	0.823	10	30		ECEELO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1)C1CC1	ZINC000105798676	436577352	/nfs/dbraw/zinc/57/73/52/436577352.db2.gz	HDGSHFDSTFJMGJ-KRWDZBQOSA-N	1	2	328.420	0.797	10	30		ECEELO
C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1)C1CC1	ZINC000105798676	436577354	/nfs/dbraw/zinc/57/73/54/436577354.db2.gz	HDGSHFDSTFJMGJ-KRWDZBQOSA-N	1	2	328.420	0.797	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000105892382	436585486	/nfs/dbraw/zinc/58/54/86/436585486.db2.gz	RLWRKAWMUXXTTH-UONOGXRCSA-N	1	2	335.408	0.293	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000105892382	436585489	/nfs/dbraw/zinc/58/54/89/436585489.db2.gz	RLWRKAWMUXXTTH-UONOGXRCSA-N	1	2	335.408	0.293	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000170924404	436961962	/nfs/dbraw/zinc/96/19/62/436961962.db2.gz	RGPZDBXNJJHRQY-OAHLLOKOSA-N	1	2	344.419	0.115	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000170924404	436961965	/nfs/dbraw/zinc/96/19/65/436961965.db2.gz	RGPZDBXNJJHRQY-OAHLLOKOSA-N	1	2	344.419	0.115	10	30		ECEELO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1	ZINC000170924488	436962925	/nfs/dbraw/zinc/96/29/25/436962925.db2.gz	NZDDISDVWNJARP-OAHLLOKOSA-N	1	2	330.388	0.236	10	30		ECEELO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000170924488	436962928	/nfs/dbraw/zinc/96/29/28/436962928.db2.gz	NZDDISDVWNJARP-OAHLLOKOSA-N	1	2	330.388	0.236	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969778	437698837	/nfs/dbraw/zinc/69/88/37/437698837.db2.gz	USOVWMRXLBNOCW-CYBMUJFWSA-N	1	2	347.419	0.500	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969778	437698841	/nfs/dbraw/zinc/69/88/41/437698841.db2.gz	USOVWMRXLBNOCW-CYBMUJFWSA-N	1	2	347.419	0.500	10	30		ECEELO
N#Cc1ccc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1F	ZINC000886074565	590790984	/nfs/dbraw/zinc/79/09/84/590790984.db2.gz	CVBNYTYRUZLIDP-QGZVFWFLSA-N	1	2	332.379	0.459	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925405	436822460	/nfs/dbraw/zinc/82/24/60/436822460.db2.gz	PGCQKXHWNSJYHX-LBPRGKRZSA-N	1	2	329.809	0.821	10	30		ECEELO
CCN1CCN(C(=O)NCc2ccnn2C)C[C@H]1c1[nH+]ccn1C	ZINC000328634849	437245104	/nfs/dbraw/zinc/24/51/04/437245104.db2.gz	UIFCGIMKTJZDSH-AWEZNQCLSA-N	1	2	331.424	0.946	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000374416124	285049232	/nfs/dbraw/zinc/04/92/32/285049232.db2.gz	PMFPQSQXVHPMLQ-KFWWJZLASA-N	1	2	344.481	0.365	10	30		ECEELO
N#Cc1nc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccc1[N+](=O)[O-]	ZINC000302728766	268323616	/nfs/dbraw/zinc/32/36/16/268323616.db2.gz	PHTKICSRWCEGGG-UHFFFAOYSA-N	1	2	330.348	0.262	10	30		ECEELO
C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000030591878	436220352	/nfs/dbraw/zinc/22/03/52/436220352.db2.gz	FTNLJDYTMPHSCY-CYBMUJFWSA-N	1	2	329.408	0.245	10	30		ECEELO
CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1	ZINC000105864723	436582375	/nfs/dbraw/zinc/58/23/75/436582375.db2.gz	HCCOGQVRQATBDN-CYBMUJFWSA-N	1	2	334.424	0.819	10	30		ECEELO
C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000105868714	436583550	/nfs/dbraw/zinc/58/35/50/436583550.db2.gz	RPTRJOASGWTXSR-AWEZNQCLSA-N	1	2	333.436	0.996	10	30		ECEELO
C#CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000105868746	436584029	/nfs/dbraw/zinc/58/40/29/436584029.db2.gz	HIIJRTFCIDWOMR-AWEZNQCLSA-N	1	2	331.420	0.444	10	30		ECEELO
C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000171111077	436968545	/nfs/dbraw/zinc/96/85/45/436968545.db2.gz	WZVUZFOMJOIYBA-CYBMUJFWSA-N	1	2	330.388	0.125	10	30		ECEELO
C[C@H](C#N)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000182869208	437366082	/nfs/dbraw/zinc/36/60/82/437366082.db2.gz	QVPLJDNSGIXWCO-HZPDHXFCSA-N	1	2	346.431	0.913	10	30		ECEELO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184723464	437411819	/nfs/dbraw/zinc/41/18/19/437411819.db2.gz	DCVFIMVTNPHHBY-GMTAPVOTSA-N	1	2	335.429	0.863	10	30		ECEELO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184723464	437411820	/nfs/dbraw/zinc/41/18/20/437411820.db2.gz	DCVFIMVTNPHHBY-GMTAPVOTSA-N	1	2	335.429	0.863	10	30		ECEELO
N#Cc1cc(Cl)ccc1CN1CC[NH+]([C@@]2(C(N)=O)CCOC2)CC1	ZINC000886093333	590794396	/nfs/dbraw/zinc/79/43/96/590794396.db2.gz	AZSJNYXULJDQFL-KRWDZBQOSA-N	1	2	348.834	0.974	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@H]1C	ZINC000174896309	231338091	/nfs/dbraw/zinc/33/80/91/231338091.db2.gz	UXBGLNPXBIWJAL-CQSZACIVSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@H]1C	ZINC000174896309	231338094	/nfs/dbraw/zinc/33/80/94/231338094.db2.gz	UXBGLNPXBIWJAL-CQSZACIVSA-N	1	2	344.415	0.984	10	30		ECEELO
CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102936836	219242351	/nfs/dbraw/zinc/24/23/51/219242351.db2.gz	HDRVACSOOFQBSZ-GDBMZVCRSA-N	1	2	340.383	0.791	10	30		ECEELO
CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102936836	219242353	/nfs/dbraw/zinc/24/23/53/219242353.db2.gz	HDRVACSOOFQBSZ-GDBMZVCRSA-N	1	2	340.383	0.791	10	30		ECEELO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249276351	165196005	/nfs/dbraw/zinc/19/60/05/165196005.db2.gz	DCVFIMVTNPHHBY-MXWKQRLJSA-N	1	2	335.429	0.863	10	30		ECEELO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249276351	165196009	/nfs/dbraw/zinc/19/60/09/165196009.db2.gz	DCVFIMVTNPHHBY-MXWKQRLJSA-N	1	2	335.429	0.863	10	30		ECEELO
Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C#N)c(C)[nH+]1	ZINC000301754930	267337277	/nfs/dbraw/zinc/33/72/77/267337277.db2.gz	CVUXVAFNDLDZJG-UHFFFAOYSA-N	1	2	341.415	0.841	10	30		ECEELO
N#CCNC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1	ZINC000108867628	436621097	/nfs/dbraw/zinc/62/10/97/436621097.db2.gz	AUWFVJSUGWBSSR-UHFFFAOYSA-N	1	2	338.415	0.630	10	30		ECEELO
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000248654906	436807247	/nfs/dbraw/zinc/80/72/47/436807247.db2.gz	VZWFOMLOHXOYOJ-OLZOCXBDSA-N	1	2	334.424	0.723	10	30		ECEELO
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000248654906	436807249	/nfs/dbraw/zinc/80/72/49/436807249.db2.gz	VZWFOMLOHXOYOJ-OLZOCXBDSA-N	1	2	334.424	0.723	10	30		ECEELO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247065947	436788957	/nfs/dbraw/zinc/78/89/57/436788957.db2.gz	GFUOUWSDGVYGPH-GDBMZVCRSA-N	1	2	333.436	0.901	10	30		ECEELO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247065947	436788961	/nfs/dbraw/zinc/78/89/61/436788961.db2.gz	GFUOUWSDGVYGPH-GDBMZVCRSA-N	1	2	333.436	0.901	10	30		ECEELO
CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CCOCC2)nc[nH+]1	ZINC000173417951	437049095	/nfs/dbraw/zinc/04/90/95/437049095.db2.gz	XDHKUFQSJOJWJQ-ZDUSSCGKSA-N	1	2	344.419	0.924	10	30		ECEELO
CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CCOCC2)[nH+]cn1	ZINC000173417951	437049100	/nfs/dbraw/zinc/04/91/00/437049100.db2.gz	XDHKUFQSJOJWJQ-ZDUSSCGKSA-N	1	2	344.419	0.924	10	30		ECEELO
CCc1nnc2n1CC[N@H+](C1CN(c3nnc(C)c(C)c3C#N)C1)C2	ZINC000328629068	437241358	/nfs/dbraw/zinc/24/13/58/437241358.db2.gz	HWOXXHIJZPMHDH-UHFFFAOYSA-N	1	2	338.419	0.823	10	30		ECEELO
CCc1nnc2n1CC[N@@H+](C1CN(c3nnc(C)c(C)c3C#N)C1)C2	ZINC000328629068	437241362	/nfs/dbraw/zinc/24/13/62/437241362.db2.gz	HWOXXHIJZPMHDH-UHFFFAOYSA-N	1	2	338.419	0.823	10	30		ECEELO
C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382888	165160856	/nfs/dbraw/zinc/16/08/56/165160856.db2.gz	WBFIWSARHPGKJJ-ZOBUZTSGSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382888	165160860	/nfs/dbraw/zinc/16/08/60/165160860.db2.gz	WBFIWSARHPGKJJ-ZOBUZTSGSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@@H](C(=O)N(C)CCC#N)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000105869529	436583175	/nfs/dbraw/zinc/58/31/75/436583175.db2.gz	OQSKRNLXRGXFSK-HNNXBMFYSA-N	1	2	332.452	0.688	10	30		ECEELO
C[C@@H](C(=O)N(C)CCC#N)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000105869529	436583177	/nfs/dbraw/zinc/58/31/77/436583177.db2.gz	OQSKRNLXRGXFSK-HNNXBMFYSA-N	1	2	332.452	0.688	10	30		ECEELO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000156792429	436820234	/nfs/dbraw/zinc/82/02/34/436820234.db2.gz	JUPLYVPNRFGYIS-INIZCTEOSA-N	1	2	349.456	0.738	10	30		ECEELO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000156792429	436820238	/nfs/dbraw/zinc/82/02/38/436820238.db2.gz	JUPLYVPNRFGYIS-INIZCTEOSA-N	1	2	349.456	0.738	10	30		ECEELO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000178497509	437216322	/nfs/dbraw/zinc/21/63/22/437216322.db2.gz	PMDAIJWHKWHAOZ-HNNXBMFYSA-N	1	2	342.399	0.738	10	30		ECEELO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000180246170	437282072	/nfs/dbraw/zinc/28/20/72/437282072.db2.gz	YKCWSRWBAQGNQD-CZUORRHYSA-N	1	2	342.399	0.676	10	30		ECEELO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000180246191	437283509	/nfs/dbraw/zinc/28/35/09/437283509.db2.gz	YKCWSRWBAQGNQD-XJKSGUPXSA-N	1	2	342.399	0.676	10	30		ECEELO
COc1cc(CN=NC(=S)NCC[NH+]2CCOCC2)ccc1O	ZINC000020786234	521987562	/nfs/dbraw/zinc/98/75/62/521987562.db2.gz	YKMFALQGVCDXMM-GZTJUZNOSA-N	1	2	338.433	0.942	10	30		ECEELO
C[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000900881825	586672410	/nfs/dbraw/zinc/67/24/10/586672410.db2.gz	URRTUVOJASWXMJ-QAPCUYQASA-N	1	2	328.412	0.823	10	30		ECEELO
N#Cc1cc(F)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(F)c1	ZINC000132341397	223322265	/nfs/dbraw/zinc/32/22/65/223322265.db2.gz	DKNNCKHGQSRHMU-NSHDSACASA-N	1	2	325.315	0.259	10	30		ECEELO
N#Cc1cc(F)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(F)c1	ZINC000132341564	223321756	/nfs/dbraw/zinc/32/17/56/223321756.db2.gz	DKNNCKHGQSRHMU-LLVKDONJSA-N	1	2	325.315	0.259	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@@H]1C	ZINC000174896325	231338413	/nfs/dbraw/zinc/33/84/13/231338413.db2.gz	UXBGLNPXBIWJAL-AWEZNQCLSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@@H]1C	ZINC000174896325	231338417	/nfs/dbraw/zinc/33/84/17/231338417.db2.gz	UXBGLNPXBIWJAL-AWEZNQCLSA-N	1	2	344.415	0.984	10	30		ECEELO
CCC#CC[N@@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C(=O)NC(C)C	ZINC000096153347	436517672	/nfs/dbraw/zinc/51/76/72/436517672.db2.gz	LBHOWSPBPWSMEF-CABCVRRESA-N	1	2	345.447	0.829	10	30		ECEELO
CCC#CC[N@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C(=O)NC(C)C	ZINC000096153347	436517675	/nfs/dbraw/zinc/51/76/75/436517675.db2.gz	LBHOWSPBPWSMEF-CABCVRRESA-N	1	2	345.447	0.829	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cnn(C)c1	ZINC000596450003	438964943	/nfs/dbraw/zinc/96/49/43/438964943.db2.gz	RAAFLZKCMBRDHO-HOCLYGCPSA-N	1	2	327.392	0.956	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cnn(C)c1	ZINC000596450003	438964948	/nfs/dbraw/zinc/96/49/48/438964948.db2.gz	RAAFLZKCMBRDHO-HOCLYGCPSA-N	1	2	327.392	0.956	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118115801	221122150	/nfs/dbraw/zinc/12/21/50/221122150.db2.gz	YALZYNSLCRVXDO-LBPRGKRZSA-N	1	2	336.779	0.597	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118115801	221122151	/nfs/dbraw/zinc/12/21/51/221122151.db2.gz	YALZYNSLCRVXDO-LBPRGKRZSA-N	1	2	336.779	0.597	10	30		ECEELO
CCN(CCC#N)C(=O)CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1	ZINC000105865943	436583308	/nfs/dbraw/zinc/58/33/08/436583308.db2.gz	YRSJFZOEKRLWNZ-UHFFFAOYSA-N	1	2	346.479	0.917	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892379	436585323	/nfs/dbraw/zinc/58/53/23/436585323.db2.gz	RLWRKAWMUXXTTH-KBPBESRZSA-N	1	2	335.408	0.293	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892379	436585324	/nfs/dbraw/zinc/58/53/24/436585324.db2.gz	RLWRKAWMUXXTTH-KBPBESRZSA-N	1	2	335.408	0.293	10	30		ECEELO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247065967	436788451	/nfs/dbraw/zinc/78/84/51/436788451.db2.gz	GFUOUWSDGVYGPH-GOEBONIOSA-N	1	2	333.436	0.901	10	30		ECEELO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247065967	436788455	/nfs/dbraw/zinc/78/84/55/436788455.db2.gz	GFUOUWSDGVYGPH-GOEBONIOSA-N	1	2	333.436	0.901	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C	ZINC000175988725	437127442	/nfs/dbraw/zinc/12/74/42/437127442.db2.gz	WVIUEBJGICCEEY-GFCCVEGCSA-N	1	2	348.378	0.815	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C	ZINC000175988725	437127444	/nfs/dbraw/zinc/12/74/44/437127444.db2.gz	WVIUEBJGICCEEY-GFCCVEGCSA-N	1	2	348.378	0.815	10	30		ECEELO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1C	ZINC000185179693	437431084	/nfs/dbraw/zinc/43/10/84/437431084.db2.gz	MFWXOHWPKQAFHP-HZPDHXFCSA-N	1	2	331.416	0.978	10	30		ECEELO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1C	ZINC000185179693	437431089	/nfs/dbraw/zinc/43/10/89/437431089.db2.gz	MFWXOHWPKQAFHP-HZPDHXFCSA-N	1	2	331.416	0.978	10	30		ECEELO
N#Cc1ccc(N2CC[NH+]([C@@]3(C(N)=O)CCOC3)CC2)cc1Cl	ZINC000886080227	590792624	/nfs/dbraw/zinc/79/26/24/590792624.db2.gz	QRCXSVKIDAWNON-INIZCTEOSA-N	1	2	334.807	0.978	10	30		ECEELO
C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925567	436822322	/nfs/dbraw/zinc/82/23/22/436822322.db2.gz	QJHHFPMQPXQZQC-SNVBAGLBSA-N	1	2	329.809	0.821	10	30		ECEELO
C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000248654903	436808058	/nfs/dbraw/zinc/80/80/58/436808058.db2.gz	VZWFOMLOHXOYOJ-CHWSQXEVSA-N	1	2	334.424	0.723	10	30		ECEELO
C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000248654903	436808060	/nfs/dbraw/zinc/80/80/60/436808060.db2.gz	VZWFOMLOHXOYOJ-CHWSQXEVSA-N	1	2	334.424	0.723	10	30		ECEELO
N#CC1(CS(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1	ZINC000165550122	436935914	/nfs/dbraw/zinc/93/59/14/436935914.db2.gz	QLYQRNXRDGOODZ-INIZCTEOSA-N	1	2	349.456	0.971	10	30		ECEELO
C[C@H](C#N)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000182869171	437367045	/nfs/dbraw/zinc/36/70/45/437367045.db2.gz	QVPLJDNSGIXWCO-CVEARBPZSA-N	1	2	346.431	0.913	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969789	437696851	/nfs/dbraw/zinc/69/68/51/437696851.db2.gz	USOVWMRXLBNOCW-ZDUSSCGKSA-N	1	2	347.419	0.500	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192969789	437696860	/nfs/dbraw/zinc/69/68/60/437696860.db2.gz	USOVWMRXLBNOCW-ZDUSSCGKSA-N	1	2	347.419	0.500	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000117522238	221074485	/nfs/dbraw/zinc/07/44/85/221074485.db2.gz	SOWWMMNENQMRLI-ZDUSSCGKSA-N	1	2	330.388	0.676	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000117522238	221074488	/nfs/dbraw/zinc/07/44/88/221074488.db2.gz	SOWWMMNENQMRLI-ZDUSSCGKSA-N	1	2	330.388	0.676	10	30		ECEELO
CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1	ZINC000105864721	436581492	/nfs/dbraw/zinc/58/14/92/436581492.db2.gz	HCCOGQVRQATBDN-ZDUSSCGKSA-N	1	2	334.424	0.819	10	30		ECEELO
CCN1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1c1[nH+]ccn1C	ZINC000328620419	437242010	/nfs/dbraw/zinc/24/20/10/437242010.db2.gz	GZFUZPUOHAFCGH-CHWSQXEVSA-N	1	2	334.424	0.243	10	30		ECEELO
N#CC1(c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2)CC1	ZINC000179844479	437275240	/nfs/dbraw/zinc/27/52/40/437275240.db2.gz	AMMNEUWHMSBBNF-MRXNPFEDSA-N	1	2	329.400	0.665	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1C	ZINC000117522852	221074405	/nfs/dbraw/zinc/07/44/05/221074405.db2.gz	BLARTLSLZHZYFF-LBPRGKRZSA-N	1	2	348.378	0.815	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1C	ZINC000117522852	221074407	/nfs/dbraw/zinc/07/44/07/221074407.db2.gz	BLARTLSLZHZYFF-LBPRGKRZSA-N	1	2	348.378	0.815	10	30		ECEELO
C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C	ZINC000122378204	222074639	/nfs/dbraw/zinc/07/46/39/222074639.db2.gz	FYMCHAIZWCSREW-NWDGAFQWSA-N	1	2	341.408	0.773	10	30		ECEELO
C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C	ZINC000122378204	222074644	/nfs/dbraw/zinc/07/46/44/222074644.db2.gz	FYMCHAIZWCSREW-NWDGAFQWSA-N	1	2	341.408	0.773	10	30		ECEELO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1	ZINC000057665608	436614976	/nfs/dbraw/zinc/61/49/76/436614976.db2.gz	LKYKZDOBKALXGJ-ZDUSSCGKSA-N	1	2	330.388	0.642	10	30		ECEELO
Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCCC#N)CC2)cn1	ZINC000115581188	436647499	/nfs/dbraw/zinc/64/74/99/436647499.db2.gz	USJBIKHTQAPHMR-UHFFFAOYSA-N	1	2	325.438	0.561	10	30		ECEELO
Cn1cc(C[N@H+]2CCCN(S(=O)(=O)CCCC#N)CC2)cn1	ZINC000115581188	436647501	/nfs/dbraw/zinc/64/75/01/436647501.db2.gz	USJBIKHTQAPHMR-UHFFFAOYSA-N	1	2	325.438	0.561	10	30		ECEELO
C=CCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000121072835	436705920	/nfs/dbraw/zinc/70/59/20/436705920.db2.gz	AIIWCZHUHICFND-GFCCVEGCSA-N	1	2	325.438	0.983	10	30		ECEELO
C=CCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000121072835	436705923	/nfs/dbraw/zinc/70/59/23/436705923.db2.gz	AIIWCZHUHICFND-GFCCVEGCSA-N	1	2	325.438	0.983	10	30		ECEELO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000156792568	436820573	/nfs/dbraw/zinc/82/05/73/436820573.db2.gz	JUPLYVPNRFGYIS-MRXNPFEDSA-N	1	2	349.456	0.738	10	30		ECEELO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000156792568	436820577	/nfs/dbraw/zinc/82/05/77/436820577.db2.gz	JUPLYVPNRFGYIS-MRXNPFEDSA-N	1	2	349.456	0.738	10	30		ECEELO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1	ZINC000174009072	437073977	/nfs/dbraw/zinc/07/39/77/437073977.db2.gz	VCLPUWGJLKDLRR-HNNXBMFYSA-N	1	2	328.372	0.430	10	30		ECEELO
C=CCc1ccc(OC[C@H](O)C[NH+]2CC(NC(C)=O)C2)c(OC)c1	ZINC000191729271	437654026	/nfs/dbraw/zinc/65/40/26/437654026.db2.gz	DBSPFBZKCRXSPF-MRXNPFEDSA-N	1	2	334.416	0.984	10	30		ECEELO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000194750355	165070709	/nfs/dbraw/zinc/07/07/09/165070709.db2.gz	ULZNYFLMXJQGNQ-CYBMUJFWSA-N	1	2	332.404	0.243	10	30		ECEELO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000194750355	165070713	/nfs/dbraw/zinc/07/07/13/165070713.db2.gz	ULZNYFLMXJQGNQ-CYBMUJFWSA-N	1	2	332.404	0.243	10	30		ECEELO
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000367169993	438177261	/nfs/dbraw/zinc/17/72/61/438177261.db2.gz	GSGZAAZEMZQDOS-MCIONIFRSA-N	1	2	330.454	0.118	10	30		ECEELO
C[C@H]1CN(C(=O)c2cccc(C#CCO)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000900881826	586672308	/nfs/dbraw/zinc/67/23/08/586672308.db2.gz	URRTUVOJASWXMJ-YJBOKZPZSA-N	1	2	328.412	0.823	10	30		ECEELO
O=C(NC[C@H](O)C[NH+]1CCOCC1)c1coc(C2CCOCC2)n1	ZINC000329896014	741616629	/nfs/dbraw/zinc/61/66/29/741616629.db2.gz	CEYVXFPQJYXLAQ-ZDUSSCGKSA-N	1	2	339.392	0.566	10	30		ECEELO
Cc1c(C(=O)N2CC[NH+](C)CC2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824508	213390545	/nfs/dbraw/zinc/39/05/45/213390545.db2.gz	IYQWQKQYXIRAIP-WOJGMQOQSA-N	1	2	349.460	0.849	10	30		ECEELO
N#Cc1ccc(CN2CC([N@H+]3C[C@H](O)C[C@H]3C(=O)NC3CC3)C2)cc1	ZINC000257191188	436860118	/nfs/dbraw/zinc/86/01/18/436860118.db2.gz	PMEAFJSZYVNWBL-MSOLQXFVSA-N	1	2	340.427	0.456	10	30		ECEELO
N#Cc1ccc(CN2CC([N@@H+]3C[C@H](O)C[C@H]3C(=O)NC3CC3)C2)cc1	ZINC000257191188	436860120	/nfs/dbraw/zinc/86/01/20/436860120.db2.gz	PMEAFJSZYVNWBL-MSOLQXFVSA-N	1	2	340.427	0.456	10	30		ECEELO
N#CC1(NC(=O)C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCCCC1	ZINC000299740843	437108386	/nfs/dbraw/zinc/10/83/86/437108386.db2.gz	CDXCXZNVIFLBHA-GHMZBOCLSA-N	1	2	346.353	0.925	10	30		ECEELO
N#CC1(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCCCC1	ZINC000299740843	437108390	/nfs/dbraw/zinc/10/83/90/437108390.db2.gz	CDXCXZNVIFLBHA-GHMZBOCLSA-N	1	2	346.353	0.925	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1	ZINC000180247999	437283225	/nfs/dbraw/zinc/28/32/25/437283225.db2.gz	QTNNJMMIIJMVCM-RHSMWYFYSA-N	1	2	341.411	0.786	10	30		ECEELO
N#Cc1cc(Cl)ccc1CN1CC[NH+]([C@]2(C(N)=O)CCOC2)CC1	ZINC000886093334	590794985	/nfs/dbraw/zinc/79/49/85/590794985.db2.gz	AZSJNYXULJDQFL-QGZVFWFLSA-N	1	2	348.834	0.974	10	30		ECEELO
C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000105868718	436583460	/nfs/dbraw/zinc/58/34/60/436583460.db2.gz	RPTRJOASGWTXSR-CQSZACIVSA-N	1	2	333.436	0.996	10	30		ECEELO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1F	ZINC000174007718	437073715	/nfs/dbraw/zinc/07/37/15/437073715.db2.gz	UMLCLUGCDBBJPG-CQSZACIVSA-N	1	2	346.362	0.569	10	30		ECEELO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000176000248	437128564	/nfs/dbraw/zinc/12/85/64/437128564.db2.gz	KIQSFOHHGMKFEG-AWEZNQCLSA-N	1	2	346.362	0.569	10	30		ECEELO
C=C(C)CS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCOCC1	ZINC000223623065	609713227	/nfs/dbraw/zinc/71/32/27/609713227.db2.gz	WRSBTMHQTRRWQM-UHFFFAOYSA-N	1	2	332.466	0.611	10	30		ECEELO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000194621103	436668666	/nfs/dbraw/zinc/66/86/66/436668666.db2.gz	SZPCXKHIJVPQTQ-HNNXBMFYSA-N	1	2	333.436	0.793	10	30		ECEELO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000194621103	436668668	/nfs/dbraw/zinc/66/86/68/436668668.db2.gz	SZPCXKHIJVPQTQ-HNNXBMFYSA-N	1	2	333.436	0.793	10	30		ECEELO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000178497525	437216187	/nfs/dbraw/zinc/21/61/87/437216187.db2.gz	PMDAIJWHKWHAOZ-OAHLLOKOSA-N	1	2	342.399	0.738	10	30		ECEELO
COc1ccc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1C#N	ZINC000886093390	590794745	/nfs/dbraw/zinc/79/47/45/590794745.db2.gz	HWJDEUZQJVJFNN-GOSISDBHSA-N	1	2	344.415	0.329	10	30		ECEELO
CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C	ZINC000247249011	165157516	/nfs/dbraw/zinc/15/75/16/165157516.db2.gz	XOHQPBBUIONQMC-CYBMUJFWSA-N	1	2	338.433	0.685	10	30		ECEELO
CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C	ZINC000247249011	165157521	/nfs/dbraw/zinc/15/75/21/165157521.db2.gz	XOHQPBBUIONQMC-CYBMUJFWSA-N	1	2	338.433	0.685	10	30		ECEELO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382822	165160080	/nfs/dbraw/zinc/16/00/80/165160080.db2.gz	WBFIWSARHPGKJJ-HLLBOEOZSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382822	165160086	/nfs/dbraw/zinc/16/00/86/165160086.db2.gz	WBFIWSARHPGKJJ-HLLBOEOZSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([S@@](C)=O)CC1	ZINC000329610159	289044275	/nfs/dbraw/zinc/04/42/75/289044275.db2.gz	NPWSLDQCGLHARB-GIYNXVAASA-N	1	2	329.466	0.607	10	30		ECEELO
Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1	ZINC000165322439	436936501	/nfs/dbraw/zinc/93/65/01/436936501.db2.gz	VPROHEJVMGJCGR-UHFFFAOYSA-N	1	2	337.449	0.561	10	30		ECEELO
Cn1cc(C[N@H+]2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1	ZINC000165322439	436936504	/nfs/dbraw/zinc/93/65/04/436936504.db2.gz	VPROHEJVMGJCGR-UHFFFAOYSA-N	1	2	337.449	0.561	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000183609247	437388502	/nfs/dbraw/zinc/38/85/02/437388502.db2.gz	GWHGSJWPMCVAJX-LLVKDONJSA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000183609247	437388507	/nfs/dbraw/zinc/38/85/07/437388507.db2.gz	GWHGSJWPMCVAJX-LLVKDONJSA-N	1	2	329.809	0.821	10	30		ECEELO
C#CCNC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000191981957	437658767	/nfs/dbraw/zinc/65/87/67/437658767.db2.gz	LBVFZKJIBRPVBA-CQSZACIVSA-N	1	2	337.464	0.862	10	30		ECEELO
C#CCNC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000191981957	437658769	/nfs/dbraw/zinc/65/87/69/437658769.db2.gz	LBVFZKJIBRPVBA-CQSZACIVSA-N	1	2	337.464	0.862	10	30		ECEELO
COc1cc(C#N)ccc1C[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1	ZINC000886093337	590794440	/nfs/dbraw/zinc/79/44/40/590794440.db2.gz	BJBJJCIJFKUKKL-GOSISDBHSA-N	1	2	344.415	0.329	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000596461014	438965959	/nfs/dbraw/zinc/96/59/59/438965959.db2.gz	DRFODEXQMKFMPI-HOTGVXAUSA-N	1	2	342.403	0.812	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000596461014	438965963	/nfs/dbraw/zinc/96/59/63/438965963.db2.gz	DRFODEXQMKFMPI-HOTGVXAUSA-N	1	2	342.403	0.812	10	30		ECEELO
C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C	ZINC000246077215	243188869	/nfs/dbraw/zinc/18/88/69/243188869.db2.gz	FYMCHAIZWCSREW-NEPJUHHUSA-N	1	2	341.408	0.773	10	30		ECEELO
C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C	ZINC000246077215	243188873	/nfs/dbraw/zinc/18/88/73/243188873.db2.gz	FYMCHAIZWCSREW-NEPJUHHUSA-N	1	2	341.408	0.773	10	30		ECEELO
C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000105866130	436582923	/nfs/dbraw/zinc/58/29/23/436582923.db2.gz	GSQVHYNCADLMBL-HNNXBMFYSA-N	1	2	331.464	0.894	10	30		ECEELO
C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000105866132	436583121	/nfs/dbraw/zinc/58/31/21/436583121.db2.gz	GSQVHYNCADLMBL-OAHLLOKOSA-N	1	2	331.464	0.894	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184651283	437409127	/nfs/dbraw/zinc/40/91/27/437409127.db2.gz	KWMFBSKTLAJVEO-CQSZACIVSA-N	1	2	341.375	0.591	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184651283	437409130	/nfs/dbraw/zinc/40/91/30/437409130.db2.gz	KWMFBSKTLAJVEO-CQSZACIVSA-N	1	2	341.375	0.591	10	30		ECEELO
N#Cc1ccc(C2(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)CC2)cc1	ZINC000187804197	437514845	/nfs/dbraw/zinc/51/48/45/437514845.db2.gz	RDPRMMAJDSPKOF-MRXNPFEDSA-N	1	2	329.400	0.399	10	30		ECEELO
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000330149285	741624145	/nfs/dbraw/zinc/62/41/45/741624145.db2.gz	JYWLCTLVTCEJJR-VIFPVBQESA-N	1	2	348.329	0.644	10	30		ECEELO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000195333693	165079829	/nfs/dbraw/zinc/07/98/29/165079829.db2.gz	KAMHDRBADQIYBO-INIZCTEOSA-N	1	2	347.440	0.780	10	30		ECEELO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000195333693	165079831	/nfs/dbraw/zinc/07/98/31/165079831.db2.gz	KAMHDRBADQIYBO-INIZCTEOSA-N	1	2	347.440	0.780	10	30		ECEELO
[NH3+]CCc1ccc(S(=O)(=O)N=C(O)N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077271169	436230824	/nfs/dbraw/zinc/23/08/24/436230824.db2.gz	VCKOJLCOICOPJG-QWHCGFSZSA-N	1	2	341.433	0.684	10	30	in-vitro	ECEELO
N#CCCCS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000178697094	437224852	/nfs/dbraw/zinc/22/48/52/437224852.db2.gz	KTLTUYQVFHXTOS-INIZCTEOSA-N	1	2	337.445	0.971	10	30		ECEELO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)cc1	ZINC000187980205	437517560	/nfs/dbraw/zinc/51/75/60/437517560.db2.gz	UAPXCUOCFLSDRA-INIZCTEOSA-N	1	2	329.400	0.703	10	30		ECEELO
C[NH+]1CCN(c2nc(-c3ccc4c(c3)OCO4)c(C#N)c(=O)[nH]2)CC1	ZINC000223968975	609715986	/nfs/dbraw/zinc/71/59/86/609715986.db2.gz	WEOHYXABBCEQGL-UHFFFAOYSA-N	1	2	339.355	0.789	10	30		ECEELO
CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000246006340	165120109	/nfs/dbraw/zinc/12/01/09/165120109.db2.gz	HDRVACSOOFQBSZ-HOCLYGCPSA-N	1	2	340.383	0.791	10	30		ECEELO
CC(=O)N[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000246006340	165120114	/nfs/dbraw/zinc/12/01/14/165120114.db2.gz	HDRVACSOOFQBSZ-HOCLYGCPSA-N	1	2	340.383	0.791	10	30		ECEELO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1	ZINC000057665605	436614488	/nfs/dbraw/zinc/61/44/88/436614488.db2.gz	LKYKZDOBKALXGJ-CYBMUJFWSA-N	1	2	330.388	0.642	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@H]1C	ZINC000172013997	436995424	/nfs/dbraw/zinc/99/54/24/436995424.db2.gz	PAGGWDFRSNYWCL-CQSZACIVSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@H]1C	ZINC000172013997	436995427	/nfs/dbraw/zinc/99/54/27/436995427.db2.gz	PAGGWDFRSNYWCL-CQSZACIVSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@@H]1C	ZINC000178482423	437216822	/nfs/dbraw/zinc/21/68/22/437216822.db2.gz	LWHWRPFPFQDWGQ-ZDUSSCGKSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@@H]1C	ZINC000178482423	437216826	/nfs/dbraw/zinc/21/68/26/437216826.db2.gz	LWHWRPFPFQDWGQ-ZDUSSCGKSA-N	1	2	344.415	0.984	10	30		ECEELO
CCN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1[nH+]ccn1C	ZINC000888078628	586246201	/nfs/dbraw/zinc/24/62/01/586246201.db2.gz	DLVDFPYCCZVDOP-LSDHHAIUSA-N	1	2	342.403	0.812	10	30		ECEELO
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000330149284	741624560	/nfs/dbraw/zinc/62/45/60/741624560.db2.gz	JYWLCTLVTCEJJR-SECBINFHSA-N	1	2	348.329	0.644	10	30		ECEELO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1	ZINC000173921393	437069268	/nfs/dbraw/zinc/06/92/68/437069268.db2.gz	QMPAQKSETUKDLF-INIZCTEOSA-N	1	2	342.399	0.221	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1	ZINC000180247979	437282364	/nfs/dbraw/zinc/28/23/64/437282364.db2.gz	QTNNJMMIIJMVCM-YOEHRIQHSA-N	1	2	341.411	0.786	10	30		ECEELO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000370185023	438558244	/nfs/dbraw/zinc/55/82/44/438558244.db2.gz	PWYVEOMNHCLPMI-KBPBESRZSA-N	1	2	330.454	0.119	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000374416126	254749542	/nfs/dbraw/zinc/74/95/42/254749542.db2.gz	PMFPQSQXVHPMLQ-RBSFLKMASA-N	1	2	344.481	0.365	10	30		ECEELO
C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000030591879	436220466	/nfs/dbraw/zinc/22/04/66/436220466.db2.gz	FTNLJDYTMPHSCY-ZDUSSCGKSA-N	1	2	329.408	0.245	10	30		ECEELO
CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000105893848	436584763	/nfs/dbraw/zinc/58/47/63/436584763.db2.gz	QXYBMXOIYBHQSD-MRXNPFEDSA-N	1	2	333.436	0.963	10	30		ECEELO
CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000105893848	436584766	/nfs/dbraw/zinc/58/47/66/436584766.db2.gz	QXYBMXOIYBHQSD-MRXNPFEDSA-N	1	2	333.436	0.963	10	30		ECEELO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000179169705	437253836	/nfs/dbraw/zinc/25/38/36/437253836.db2.gz	GIIDTQBKWZQKLL-CABCVRRESA-N	1	2	341.371	0.110	10	30		ECEELO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000179169705	437253838	/nfs/dbraw/zinc/25/38/38/437253838.db2.gz	GIIDTQBKWZQKLL-CABCVRRESA-N	1	2	341.371	0.110	10	30		ECEELO
C[C@@H](C#N)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000182869191	437366090	/nfs/dbraw/zinc/36/60/90/437366090.db2.gz	QVPLJDNSGIXWCO-HOTGVXAUSA-N	1	2	346.431	0.913	10	30		ECEELO
C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000186331119	437469989	/nfs/dbraw/zinc/46/99/89/437469989.db2.gz	VZWFOMLOHXOYOJ-STQMWFEESA-N	1	2	334.424	0.723	10	30		ECEELO
C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000186331119	437469994	/nfs/dbraw/zinc/46/99/94/437469994.db2.gz	VZWFOMLOHXOYOJ-STQMWFEESA-N	1	2	334.424	0.723	10	30		ECEELO
Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1C#N	ZINC000174629300	231261136	/nfs/dbraw/zinc/26/11/36/231261136.db2.gz	CLBWOKDSWDVDAZ-CYBMUJFWSA-N	1	2	330.388	0.642	10	30		ECEELO
CN(C)C1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1	ZINC000333020903	254656869	/nfs/dbraw/zinc/65/68/69/254656869.db2.gz	IXYPORKNPWZNHC-UHFFFAOYSA-N	1	2	335.452	0.481	10	30		ECEELO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000180246603	437282646	/nfs/dbraw/zinc/28/26/46/437282646.db2.gz	WSZKDAIVDSWMLV-CJNGLKHVSA-N	1	2	342.399	0.676	10	30		ECEELO
Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1	ZINC000368550443	438344120	/nfs/dbraw/zinc/34/41/20/438344120.db2.gz	HCCWIOCKCBHUEM-WFASDCNBSA-N	1	2	329.383	1.415	10	30		ECEELO
Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1	ZINC000368550443	438344124	/nfs/dbraw/zinc/34/41/24/438344124.db2.gz	HCCWIOCKCBHUEM-WFASDCNBSA-N	1	2	329.383	1.415	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC000117522850	221073858	/nfs/dbraw/zinc/07/38/58/221073858.db2.gz	BLARTLSLZHZYFF-GFCCVEGCSA-N	1	2	348.378	0.815	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC000117522850	221073862	/nfs/dbraw/zinc/07/38/62/221073862.db2.gz	BLARTLSLZHZYFF-GFCCVEGCSA-N	1	2	348.378	0.815	10	30		ECEELO
C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382840	165160485	/nfs/dbraw/zinc/16/04/85/165160485.db2.gz	WBFIWSARHPGKJJ-VYDXJSESSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382840	165160490	/nfs/dbraw/zinc/16/04/90/165160490.db2.gz	WBFIWSARHPGKJJ-VYDXJSESSA-N	1	2	333.432	0.685	10	30		ECEELO
Cc1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C#N)c(C)[nH+]1	ZINC000301754460	267337893	/nfs/dbraw/zinc/33/78/93/267337893.db2.gz	CMMMYIMNEGNGFB-UHFFFAOYSA-N	1	2	327.388	0.497	10	30		ECEELO
N#Cc1ccc(N2CC[NH+]([C@]3(C(N)=O)CCOC3)CC2)cc1Cl	ZINC000886080228	590792712	/nfs/dbraw/zinc/79/27/12/590792712.db2.gz	QRCXSVKIDAWNON-MRXNPFEDSA-N	1	2	334.807	0.978	10	30		ECEELO
COc1cc(C#N)ccc1C[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1	ZINC000886093338	590794284	/nfs/dbraw/zinc/79/42/84/590794284.db2.gz	BJBJJCIJFKUKKL-SFHVURJKSA-N	1	2	344.415	0.329	10	30		ECEELO
C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105816948	436580759	/nfs/dbraw/zinc/58/07/59/436580759.db2.gz	QECIGUZDUYUZMB-UHFFFAOYSA-N	1	2	343.435	0.671	10	30		ECEELO
C=CCNc1ncc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)s1	ZINC000135572806	436918920	/nfs/dbraw/zinc/91/89/20/436918920.db2.gz	PSZJGGPGPSQHJQ-LLVKDONJSA-N	1	2	326.422	0.164	10	30		ECEELO
C#CCNC(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000191981953	437659012	/nfs/dbraw/zinc/65/90/12/437659012.db2.gz	LBVFZKJIBRPVBA-AWEZNQCLSA-N	1	2	337.464	0.862	10	30		ECEELO
C#CCNC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000191981953	437659019	/nfs/dbraw/zinc/65/90/19/437659019.db2.gz	LBVFZKJIBRPVBA-AWEZNQCLSA-N	1	2	337.464	0.862	10	30		ECEELO
CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102936837	206389226	/nfs/dbraw/zinc/38/92/26/206389226.db2.gz	HDRVACSOOFQBSZ-GOEBONIOSA-N	1	2	340.383	0.791	10	30		ECEELO
CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102936837	206389230	/nfs/dbraw/zinc/38/92/30/206389230.db2.gz	HDRVACSOOFQBSZ-GOEBONIOSA-N	1	2	340.383	0.791	10	30		ECEELO
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1	ZINC000175947965	207175507	/nfs/dbraw/zinc/17/55/07/207175507.db2.gz	MWKXTKUEJHCGPH-NSHDSACASA-N	1	2	334.351	0.473	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000374416125	285049575	/nfs/dbraw/zinc/04/95/75/285049575.db2.gz	PMFPQSQXVHPMLQ-QLFBSQMISA-N	1	2	344.481	0.365	10	30		ECEELO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1	ZINC000174009612	164865884	/nfs/dbraw/zinc/86/58/84/164865884.db2.gz	XYLWCOAQYSFSNY-HNNXBMFYSA-N	1	2	328.372	0.430	10	30		ECEELO
CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000246006343	165120516	/nfs/dbraw/zinc/12/05/16/165120516.db2.gz	HDRVACSOOFQBSZ-ZBFHGGJFSA-N	1	2	340.383	0.791	10	30		ECEELO
CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000246006343	165120519	/nfs/dbraw/zinc/12/05/19/165120519.db2.gz	HDRVACSOOFQBSZ-ZBFHGGJFSA-N	1	2	340.383	0.791	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)c1	ZINC000117522275	436658699	/nfs/dbraw/zinc/65/86/99/436658699.db2.gz	WRFDHEDNGZNIEZ-CQSZACIVSA-N	1	2	329.400	0.786	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)c1	ZINC000117522275	436658703	/nfs/dbraw/zinc/65/87/03/436658703.db2.gz	WRFDHEDNGZNIEZ-CQSZACIVSA-N	1	2	329.400	0.786	10	30		ECEELO
C=CCNc1ncc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)s1	ZINC000135572789	436919472	/nfs/dbraw/zinc/91/94/72/436919472.db2.gz	PSZJGGPGPSQHJQ-NSHDSACASA-N	1	2	326.422	0.164	10	30		ECEELO
CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000180301852	437286114	/nfs/dbraw/zinc/28/61/14/437286114.db2.gz	IMWASHUHLVNINF-AWEZNQCLSA-N	1	2	341.408	0.775	10	30		ECEELO
N#Cc1ccccc1OCC[NH+]1CCN([C@]2(C(N)=O)CCOC2)CC1	ZINC000886079667	590791612	/nfs/dbraw/zinc/79/16/12/590791612.db2.gz	HRMLTOOADNSCSB-GOSISDBHSA-N	1	2	344.415	0.199	10	30		ECEELO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000180246653	207751239	/nfs/dbraw/zinc/75/12/39/207751239.db2.gz	WSZKDAIVDSWMLV-XJKSGUPXSA-N	1	2	342.399	0.676	10	30		ECEELO
O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1(O)CCOCC1	ZINC000330012686	254625142	/nfs/dbraw/zinc/62/51/42/254625142.db2.gz	KZIRGCCLDFULMM-UHFFFAOYSA-N	1	2	339.436	0.429	10	30		ECEELO
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1[NH+]1CCOCC1	ZINC000121681904	436722878	/nfs/dbraw/zinc/72/28/78/436722878.db2.gz	MMSMYFMFMINPIB-GDBMZVCRSA-N	1	2	342.395	0.946	10	30		ECEELO
CCN1C(=O)CO[C@@H](CNC(=O)C#CC(C)(C)C)[C@@H]1c1[nH+]ccn1C	ZINC000886027147	590786909	/nfs/dbraw/zinc/78/69/09/590786909.db2.gz	JIEQUGXPJAQSMC-XJKSGUPXSA-N	1	2	346.431	0.874	10	30		ECEELO
N#CC1(c2ccc(C(=O)NC[C@H](O)C[NH+]3CCOCC3)cc2)CC1	ZINC000179844468	303147154	/nfs/dbraw/zinc/14/71/54/303147154.db2.gz	AMMNEUWHMSBBNF-INIZCTEOSA-N	1	2	329.400	0.665	10	30		ECEELO
COC(=O)C1=C[C@H](OS(C)(=O)=O)C[N@H+](Cc2ccccc2)C1	ZINC000309973309	437170562	/nfs/dbraw/zinc/17/05/62/437170562.db2.gz	PBYOGEPAIGEEBF-AWEZNQCLSA-N	1	2	325.386	0.946	10	30		ECEELO
COC(=O)C1=C[C@H](OS(C)(=O)=O)C[N@@H+](Cc2ccccc2)C1	ZINC000309973309	437170565	/nfs/dbraw/zinc/17/05/65/437170565.db2.gz	PBYOGEPAIGEEBF-AWEZNQCLSA-N	1	2	325.386	0.946	10	30		ECEELO
CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000180301873	437287835	/nfs/dbraw/zinc/28/78/35/437287835.db2.gz	IMWASHUHLVNINF-CQSZACIVSA-N	1	2	341.408	0.775	10	30		ECEELO
N#Cc1ccc(OC[C@H](O)C[NH+]2CC(NC(=O)C3CCC3)C2)cc1	ZINC000185935921	235791332	/nfs/dbraw/zinc/79/13/32/235791332.db2.gz	JOKFNDLCXDNVSV-MRXNPFEDSA-N	1	2	329.400	0.898	10	30		ECEELO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869256	436583969	/nfs/dbraw/zinc/58/39/69/436583969.db2.gz	FIPAMLDJTVKIQW-SFHVURJKSA-N	1	2	346.479	0.982	10	30		ECEELO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869256	436583972	/nfs/dbraw/zinc/58/39/72/436583972.db2.gz	FIPAMLDJTVKIQW-SFHVURJKSA-N	1	2	346.479	0.982	10	30		ECEELO
C=CCCS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000121073000	436706637	/nfs/dbraw/zinc/70/66/37/436706637.db2.gz	AIIWCZHUHICFND-LBPRGKRZSA-N	1	2	325.438	0.983	10	30		ECEELO
C=CCCS(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000121073000	436706639	/nfs/dbraw/zinc/70/66/39/436706639.db2.gz	AIIWCZHUHICFND-LBPRGKRZSA-N	1	2	325.438	0.983	10	30		ECEELO
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000125857803	436778858	/nfs/dbraw/zinc/77/88/58/436778858.db2.gz	MLJHYHQJYGXEJK-ZFWWWQNUSA-N	1	2	335.429	0.899	10	30		ECEELO
N#CC1(CS(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1	ZINC000165550005	436935823	/nfs/dbraw/zinc/93/58/23/436935823.db2.gz	QLYQRNXRDGOODZ-MRXNPFEDSA-N	1	2	349.456	0.971	10	30		ECEELO
CCN1CCN(C(=O)NCc2cnn(C)c2)C[C@H]1c1[nH+]ccn1C	ZINC000328621203	437242031	/nfs/dbraw/zinc/24/20/31/437242031.db2.gz	HOCSFOKABUTIPD-AWEZNQCLSA-N	1	2	331.424	0.946	10	30		ECEELO
N#CCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)[N@H+]2Cc2ccccc2)C1	ZINC000826707923	591168088	/nfs/dbraw/zinc/16/80/88/591168088.db2.gz	DYFRKFWGXZXQLV-JKSUJKDBSA-N	1	2	326.400	0.877	10	30		ECEELO
N#CCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)[N@@H+]2Cc2ccccc2)C1	ZINC000826707923	591168093	/nfs/dbraw/zinc/16/80/93/591168093.db2.gz	DYFRKFWGXZXQLV-JKSUJKDBSA-N	1	2	326.400	0.877	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168664996	529784187	/nfs/dbraw/zinc/78/41/87/529784187.db2.gz	HSOCMFSXOSZDMW-NSHDSACASA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168664996	529784189	/nfs/dbraw/zinc/78/41/89/529784189.db2.gz	HSOCMFSXOSZDMW-NSHDSACASA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168664893	529790204	/nfs/dbraw/zinc/79/02/04/529790204.db2.gz	HSOCMFSXOSZDMW-LLVKDONJSA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168664893	529790205	/nfs/dbraw/zinc/79/02/05/529790205.db2.gz	HSOCMFSXOSZDMW-LLVKDONJSA-N	1	2	329.809	0.821	10	30		ECEELO
Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)cn1	ZINC000115580866	254493181	/nfs/dbraw/zinc/49/31/81/254493181.db2.gz	CPYSRSROOTZYKO-UHFFFAOYSA-N	1	2	339.465	0.951	10	30		ECEELO
Cn1cc(C[N@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)cn1	ZINC000115580866	254493183	/nfs/dbraw/zinc/49/31/83/254493183.db2.gz	CPYSRSROOTZYKO-UHFFFAOYSA-N	1	2	339.465	0.951	10	30		ECEELO
C[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000175002575	267159338	/nfs/dbraw/zinc/15/93/38/267159338.db2.gz	BVGNATYWSLSVTR-CQSZACIVSA-N	1	2	332.404	0.957	10	30		ECEELO
CCN1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1[nH+]ccn1C	ZINC000886095122	590794487	/nfs/dbraw/zinc/79/44/87/590794487.db2.gz	LWTYMMUOXMJKNA-UONOGXRCSA-N	1	2	327.392	0.956	10	30		ECEELO
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCOCC1	ZINC000077538773	203394902	/nfs/dbraw/zinc/39/49/02/203394902.db2.gz	XOTRVOHKHZQGCI-NSHDSACASA-N	1	2	334.351	0.473	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000104798144	204121636	/nfs/dbraw/zinc/12/16/36/204121636.db2.gz	SVOZECYZBUPELL-MRXNPFEDSA-N	1	2	343.431	0.720	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000104798144	204121639	/nfs/dbraw/zinc/12/16/39/204121639.db2.gz	SVOZECYZBUPELL-MRXNPFEDSA-N	1	2	343.431	0.720	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000117522536	436657997	/nfs/dbraw/zinc/65/79/97/436657997.db2.gz	SQPMEOXDYQVWNJ-ZDUSSCGKSA-N	1	2	330.388	0.676	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000117522536	436657999	/nfs/dbraw/zinc/65/79/99/436657999.db2.gz	SQPMEOXDYQVWNJ-ZDUSSCGKSA-N	1	2	330.388	0.676	10	30		ECEELO
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000174009083	437073819	/nfs/dbraw/zinc/07/38/19/437073819.db2.gz	VCLPUWGJLKDLRR-OAHLLOKOSA-N	1	2	328.372	0.430	10	30		ECEELO
CCN1CCN(C(=O)NCc2cnn(C)c2)C[C@@H]1c1[nH+]ccn1C	ZINC000328621204	437241606	/nfs/dbraw/zinc/24/16/06/437241606.db2.gz	HOCSFOKABUTIPD-CQSZACIVSA-N	1	2	331.424	0.946	10	30		ECEELO
C[C@@H](NC(=O)c1ccco1)C(=O)N(CCC#N)CC[NH+]1CCOCC1	ZINC000072622550	436047640	/nfs/dbraw/zinc/04/76/40/436047640.db2.gz	TVNCQLVHARMVMD-CQSZACIVSA-N	1	2	348.403	0.472	10	30		ECEELO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869253	436583084	/nfs/dbraw/zinc/58/30/84/436583084.db2.gz	FIPAMLDJTVKIQW-GOSISDBHSA-N	1	2	346.479	0.982	10	30		ECEELO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869253	436583086	/nfs/dbraw/zinc/58/30/86/436583086.db2.gz	FIPAMLDJTVKIQW-GOSISDBHSA-N	1	2	346.479	0.982	10	30		ECEELO
C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000171111073	436968144	/nfs/dbraw/zinc/96/81/44/436968144.db2.gz	WZVUZFOMJOIYBA-ZDUSSCGKSA-N	1	2	330.388	0.125	10	30		ECEELO
C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000186331097	437468938	/nfs/dbraw/zinc/46/89/38/437468938.db2.gz	VZWFOMLOHXOYOJ-QWHCGFSZSA-N	1	2	334.424	0.723	10	30		ECEELO
C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000186331097	437468941	/nfs/dbraw/zinc/46/89/41/437468941.db2.gz	VZWFOMLOHXOYOJ-QWHCGFSZSA-N	1	2	334.424	0.723	10	30		ECEELO
Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1C#N	ZINC000174629310	231260640	/nfs/dbraw/zinc/26/06/40/231260640.db2.gz	CLBWOKDSWDVDAZ-ZDUSSCGKSA-N	1	2	330.388	0.642	10	30		ECEELO
Cc1cc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c(C#N)c(C)[nH+]1	ZINC000301749476	267337966	/nfs/dbraw/zinc/33/79/66/267337966.db2.gz	ABHBFDZCPFEZDK-UHFFFAOYSA-N	1	2	329.404	0.743	10	30		ECEELO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000174009255	437073936	/nfs/dbraw/zinc/07/39/36/437073936.db2.gz	GTCYMNGLMZMNHD-OAHLLOKOSA-N	1	2	342.399	0.738	10	30		ECEELO
CCN1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1c1[nH+]ccn1C	ZINC000328620421	437240904	/nfs/dbraw/zinc/24/09/04/437240904.db2.gz	GZFUZPUOHAFCGH-OLZOCXBDSA-N	1	2	334.424	0.243	10	30		ECEELO
CCN1CCN(C(=O)NCc2ccnn2C)C[C@@H]1c1[nH+]ccn1C	ZINC000328634850	437243170	/nfs/dbraw/zinc/24/31/70/437243170.db2.gz	UIFCGIMKTJZDSH-CQSZACIVSA-N	1	2	331.424	0.946	10	30		ECEELO
CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)CCCC#N)nc[nH+]1	ZINC000173898529	437068070	/nfs/dbraw/zinc/06/80/70/437068070.db2.gz	GCZRRFKAHWNXBK-GFCCVEGCSA-N	1	2	338.437	0.710	10	30		ECEELO
CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)CCCC#N)[nH+]cn1	ZINC000173898529	437068073	/nfs/dbraw/zinc/06/80/73/437068073.db2.gz	GCZRRFKAHWNXBK-GFCCVEGCSA-N	1	2	338.437	0.710	10	30		ECEELO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1	ZINC000176269186	437136372	/nfs/dbraw/zinc/13/63/72/437136372.db2.gz	BAFKWQWYNKDZMN-INIZCTEOSA-N	1	2	349.456	0.738	10	30		ECEELO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCOCC3)C2)cc1	ZINC000176269186	437136376	/nfs/dbraw/zinc/13/63/76/437136376.db2.gz	BAFKWQWYNKDZMN-INIZCTEOSA-N	1	2	349.456	0.738	10	30		ECEELO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000180246133	437282874	/nfs/dbraw/zinc/28/28/74/437282874.db2.gz	YKCWSRWBAQGNQD-CJNGLKHVSA-N	1	2	342.399	0.676	10	30		ECEELO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000367169996	438177235	/nfs/dbraw/zinc/17/72/35/438177235.db2.gz	GSGZAAZEMZQDOS-RDBSUJKOSA-N	1	2	330.454	0.118	10	30		ECEELO
C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C	ZINC000246077221	243192152	/nfs/dbraw/zinc/19/21/52/243192152.db2.gz	FYMCHAIZWCSREW-RYUDHWBXSA-N	1	2	341.408	0.773	10	30		ECEELO
C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C	ZINC000246077221	243192162	/nfs/dbraw/zinc/19/21/62/243192162.db2.gz	FYMCHAIZWCSREW-RYUDHWBXSA-N	1	2	341.408	0.773	10	30		ECEELO
N#Cc1cccc(CS(=O)(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1	ZINC000174002260	164866272	/nfs/dbraw/zinc/86/62/72/164866272.db2.gz	DJFLSIWMOAIZIR-INIZCTEOSA-N	1	2	335.429	0.795	10	30		ECEELO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000176269206	437137849	/nfs/dbraw/zinc/13/78/49/437137849.db2.gz	BAFKWQWYNKDZMN-MRXNPFEDSA-N	1	2	349.456	0.738	10	30		ECEELO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000176269206	437137851	/nfs/dbraw/zinc/13/78/51/437137851.db2.gz	BAFKWQWYNKDZMN-MRXNPFEDSA-N	1	2	349.456	0.738	10	30		ECEELO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1	ZINC000178416932	437213294	/nfs/dbraw/zinc/21/32/94/437213294.db2.gz	RSPDNTLDLKKSNM-GFCCVEGCSA-N	1	2	330.388	0.642	10	30		ECEELO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000246595674	165139628	/nfs/dbraw/zinc/13/96/28/165139628.db2.gz	VNDHAFOGXDBTCO-XJKSGUPXSA-N	1	2	335.429	0.899	10	30		ECEELO
C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C	ZINC000122377909	222075297	/nfs/dbraw/zinc/07/52/97/222075297.db2.gz	FYMCHAIZWCSREW-VXGBXAGGSA-N	1	2	341.408	0.773	10	30		ECEELO
C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C	ZINC000122377909	222075300	/nfs/dbraw/zinc/07/53/00/222075300.db2.gz	FYMCHAIZWCSREW-VXGBXAGGSA-N	1	2	341.408	0.773	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNc2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1	ZINC000596449638	438965078	/nfs/dbraw/zinc/96/50/78/438965078.db2.gz	OMAIRQDXFJCYCH-HOTGVXAUSA-N	1	2	341.419	1.264	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNc2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1	ZINC000596449638	438965082	/nfs/dbraw/zinc/96/50/82/438965082.db2.gz	OMAIRQDXFJCYCH-HOTGVXAUSA-N	1	2	341.419	1.264	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@H]1C	ZINC000178482411	207688543	/nfs/dbraw/zinc/68/85/43/207688543.db2.gz	LWHWRPFPFQDWGQ-CYBMUJFWSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@H]1C	ZINC000178482411	207688550	/nfs/dbraw/zinc/68/85/50/207688550.db2.gz	LWHWRPFPFQDWGQ-CYBMUJFWSA-N	1	2	344.415	0.984	10	30		ECEELO
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1	ZINC000105865648	436581107	/nfs/dbraw/zinc/58/11/07/436581107.db2.gz	XOSVXADXKUAEIL-UHFFFAOYSA-N	1	2	348.451	0.166	10	30		ECEELO
C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925258	436822628	/nfs/dbraw/zinc/82/26/28/436822628.db2.gz	PGCQKXHWNSJYHX-GFCCVEGCSA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925713	436822153	/nfs/dbraw/zinc/82/21/53/436822153.db2.gz	QJHHFPMQPXQZQC-JTQLQIEISA-N	1	2	329.809	0.821	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1C	ZINC000172013999	436995446	/nfs/dbraw/zinc/99/54/46/436995446.db2.gz	PAGGWDFRSNYWCL-AWEZNQCLSA-N	1	2	344.415	0.984	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1C	ZINC000172013999	436995449	/nfs/dbraw/zinc/99/54/49/436995449.db2.gz	PAGGWDFRSNYWCL-AWEZNQCLSA-N	1	2	344.415	0.984	10	30		ECEELO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1	ZINC000178416939	437213929	/nfs/dbraw/zinc/21/39/29/437213929.db2.gz	RSPDNTLDLKKSNM-LBPRGKRZSA-N	1	2	330.388	0.642	10	30		ECEELO
N#Cc1ccc(C[NH+]2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1F	ZINC000886074564	590790658	/nfs/dbraw/zinc/79/06/58/590790658.db2.gz	CVBNYTYRUZLIDP-KRWDZBQOSA-N	1	2	332.379	0.459	10	30		ECEELO
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000246101667	165122600	/nfs/dbraw/zinc/12/26/00/165122600.db2.gz	MLJHYHQJYGXEJK-UKRRQHHQSA-N	1	2	335.429	0.899	10	30		ECEELO
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000125857599	297065509	/nfs/dbraw/zinc/06/55/09/297065509.db2.gz	MLJHYHQJYGXEJK-HIFRSBDPSA-N	1	2	335.429	0.899	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1C	ZINC000175988737	437127072	/nfs/dbraw/zinc/12/70/72/437127072.db2.gz	WVIUEBJGICCEEY-LBPRGKRZSA-N	1	2	348.378	0.815	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1C	ZINC000175988737	437127076	/nfs/dbraw/zinc/12/70/76/437127076.db2.gz	WVIUEBJGICCEEY-LBPRGKRZSA-N	1	2	348.378	0.815	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184651305	437408867	/nfs/dbraw/zinc/40/88/67/437408867.db2.gz	KWMFBSKTLAJVEO-AWEZNQCLSA-N	1	2	341.375	0.591	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184651305	437408872	/nfs/dbraw/zinc/40/88/72/437408872.db2.gz	KWMFBSKTLAJVEO-AWEZNQCLSA-N	1	2	341.375	0.591	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000370185026	438559174	/nfs/dbraw/zinc/55/91/74/438559174.db2.gz	PWYVEOMNHCLPMI-ZIAGYGMSSA-N	1	2	330.454	0.119	10	30		ECEELO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000176996364	533967608	/nfs/dbraw/zinc/96/76/08/533967608.db2.gz	VNDHAFOGXDBTCO-BBRMVZONSA-N	1	2	335.429	0.899	10	30		ECEELO
N#CCCN(CCC#N)c1ncnc(NCC[NH+]2CCOCC2)c1N	ZINC000040751893	213381885	/nfs/dbraw/zinc/38/18/85/213381885.db2.gz	HIHNFCPIDDQJCV-UHFFFAOYSA-N	1	2	344.423	0.437	10	30		ECEELO
CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NCC#N)CC1	ZINC000190353654	437623827	/nfs/dbraw/zinc/62/38/27/437623827.db2.gz	RFXDUALBODWSJC-UHFFFAOYSA-N	1	2	338.452	0.754	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000104798145	436562245	/nfs/dbraw/zinc/56/22/45/436562245.db2.gz	SVOZECYZBUPELL-INIZCTEOSA-N	1	2	343.431	0.720	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000104798145	436562249	/nfs/dbraw/zinc/56/22/49/436562249.db2.gz	SVOZECYZBUPELL-INIZCTEOSA-N	1	2	343.431	0.720	10	30		ECEELO
C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105816833	436580128	/nfs/dbraw/zinc/58/01/28/436580128.db2.gz	KWTWEIGRTMTQQU-UHFFFAOYSA-N	1	2	341.419	0.447	10	30		ECEELO
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1	ZINC000173921404	437068096	/nfs/dbraw/zinc/06/80/96/437068096.db2.gz	QMPAQKSETUKDLF-MRXNPFEDSA-N	1	2	342.399	0.221	10	30		ECEELO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000180246638	437283182	/nfs/dbraw/zinc/28/31/82/437283182.db2.gz	WSZKDAIVDSWMLV-CZUORRHYSA-N	1	2	342.399	0.676	10	30		ECEELO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000120215913	590101562	/nfs/dbraw/zinc/10/15/62/590101562.db2.gz	YPHPJFQPXSZQMQ-IAQYHMDHSA-N	1	2	340.387	0.657	10	30		ECEELO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000120215913	590101564	/nfs/dbraw/zinc/10/15/64/590101564.db2.gz	YPHPJFQPXSZQMQ-IAQYHMDHSA-N	1	2	340.387	0.657	10	30		ECEELO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000195333687	165079790	/nfs/dbraw/zinc/07/97/90/165079790.db2.gz	KAMHDRBADQIYBO-MRXNPFEDSA-N	1	2	347.440	0.780	10	30		ECEELO
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000195333687	165079793	/nfs/dbraw/zinc/07/97/93/165079793.db2.gz	KAMHDRBADQIYBO-MRXNPFEDSA-N	1	2	347.440	0.780	10	30		ECEELO
C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCOCC1	ZINC000077538779	436242579	/nfs/dbraw/zinc/24/25/79/436242579.db2.gz	XOTRVOHKHZQGCI-LLVKDONJSA-N	1	2	334.351	0.473	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1	ZINC000174007311	437073007	/nfs/dbraw/zinc/07/30/07/437073007.db2.gz	YJANOXQKHQDXMW-INIZCTEOSA-N	1	2	327.384	0.540	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1cnn(C)c1	ZINC000596451417	438963892	/nfs/dbraw/zinc/96/38/92/438963892.db2.gz	WXNUWDRCYRUPLP-GJZGRUSLSA-N	1	2	327.392	0.956	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNc2nccnc2C#N)[C@@H]1c1cnn(C)c1	ZINC000596451417	438963898	/nfs/dbraw/zinc/96/38/98/438963898.db2.gz	WXNUWDRCYRUPLP-GJZGRUSLSA-N	1	2	327.392	0.956	10	30		ECEELO
O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1N1CCOCC1	ZINC000330100013	741620245	/nfs/dbraw/zinc/62/02/45/741620245.db2.gz	DIQOVKXYMPKOGV-HNNXBMFYSA-N	1	2	349.431	0.521	10	30		ECEELO
C[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCOCC1	ZINC000328884334	297944128	/nfs/dbraw/zinc/94/41/28/297944128.db2.gz	YMMYGBQOBLHOKK-ZBFHGGJFSA-N	1	2	343.493	0.872	10	30		ECEELO
Cn1cc(CN2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1	ZINC000105869268	436582533	/nfs/dbraw/zinc/58/25/33/436582533.db2.gz	ONXFGTDMHGSRSA-SFHVURJKSA-N	1	2	344.463	0.736	10	30		ECEELO
Cn1cc(CN2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1	ZINC000105869268	436582536	/nfs/dbraw/zinc/58/25/36/436582536.db2.gz	ONXFGTDMHGSRSA-SFHVURJKSA-N	1	2	344.463	0.736	10	30		ECEELO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH+]1CCOCC1	ZINC000135811101	436925787	/nfs/dbraw/zinc/92/57/87/436925787.db2.gz	BVIFDELKPWPCAM-NSHDSACASA-N	1	2	334.351	0.473	10	30		ECEELO
CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CCOCC2)nc[nH+]1	ZINC000173417939	437048082	/nfs/dbraw/zinc/04/80/82/437048082.db2.gz	XDHKUFQSJOJWJQ-CYBMUJFWSA-N	1	2	344.419	0.924	10	30		ECEELO
CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CCOCC2)[nH+]cn1	ZINC000173417939	437048084	/nfs/dbraw/zinc/04/80/84/437048084.db2.gz	XDHKUFQSJOJWJQ-CYBMUJFWSA-N	1	2	344.419	0.924	10	30		ECEELO
Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1C#N	ZINC000174009933	437073241	/nfs/dbraw/zinc/07/32/41/437073241.db2.gz	VLVDKOBNEMXSOM-AWEZNQCLSA-N	1	2	342.399	0.738	10	30		ECEELO
CCN1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1c1nccn1C	ZINC000328631438	437243106	/nfs/dbraw/zinc/24/31/06/437243106.db2.gz	QXTMQYHSZAUDPS-AWEZNQCLSA-N	1	2	331.424	0.909	10	30		ECEELO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c1	ZINC000170924490	527452461	/nfs/dbraw/zinc/45/24/61/527452461.db2.gz	NZDDISDVWNJARP-HNNXBMFYSA-N	1	2	330.388	0.236	10	30		ECEELO
C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1	ZINC000170924490	527452467	/nfs/dbraw/zinc/45/24/67/527452467.db2.gz	NZDDISDVWNJARP-HNNXBMFYSA-N	1	2	330.388	0.236	10	30		ECEELO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105816977	436579646	/nfs/dbraw/zinc/57/96/46/436579646.db2.gz	JLEUTDOLGFARMC-CYBMUJFWSA-N	1	2	342.407	0.007	10	30		ECEELO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000176996349	437162918	/nfs/dbraw/zinc/16/29/18/437162918.db2.gz	VNDHAFOGXDBTCO-CJNGLKHVSA-N	1	2	335.429	0.899	10	30		ECEELO
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000177233485	437176445	/nfs/dbraw/zinc/17/64/45/437176445.db2.gz	NWQADBDCGHOKRL-CVEARBPZSA-N	1	2	334.464	0.982	10	30		ECEELO
CCN1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1c1nccn1C	ZINC000328631439	437244580	/nfs/dbraw/zinc/24/45/80/437244580.db2.gz	QXTMQYHSZAUDPS-CQSZACIVSA-N	1	2	331.424	0.909	10	30		ECEELO
C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1)C1CC1	ZINC000105798674	436577557	/nfs/dbraw/zinc/57/75/57/436577557.db2.gz	HDGSHFDSTFJMGJ-QGZVFWFLSA-N	1	2	328.420	0.797	10	30		ECEELO
C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1)C1CC1	ZINC000105798674	436577560	/nfs/dbraw/zinc/57/75/60/436577560.db2.gz	HDGSHFDSTFJMGJ-QGZVFWFLSA-N	1	2	328.420	0.797	10	30		ECEELO
C[C@H](C(=O)N(C)CCC#N)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000105869531	436582799	/nfs/dbraw/zinc/58/27/99/436582799.db2.gz	OQSKRNLXRGXFSK-OAHLLOKOSA-N	1	2	332.452	0.688	10	30		ECEELO
C[C@H](C(=O)N(C)CCC#N)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000105869531	436582803	/nfs/dbraw/zinc/58/28/03/436582803.db2.gz	OQSKRNLXRGXFSK-OAHLLOKOSA-N	1	2	332.452	0.688	10	30		ECEELO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000194621091	436668405	/nfs/dbraw/zinc/66/84/05/436668405.db2.gz	SZPCXKHIJVPQTQ-OAHLLOKOSA-N	1	2	333.436	0.793	10	30		ECEELO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000194621091	436668408	/nfs/dbraw/zinc/66/84/08/436668408.db2.gz	SZPCXKHIJVPQTQ-OAHLLOKOSA-N	1	2	333.436	0.793	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1	ZINC000180248016	437282710	/nfs/dbraw/zinc/28/27/10/437282710.db2.gz	QTNNJMMIIJMVCM-WMLDXEAASA-N	1	2	341.411	0.786	10	30		ECEELO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000370185025	438559234	/nfs/dbraw/zinc/55/92/34/438559234.db2.gz	PWYVEOMNHCLPMI-UONOGXRCSA-N	1	2	330.454	0.119	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247233124	534862119	/nfs/dbraw/zinc/86/21/19/534862119.db2.gz	RLWRKAWMUXXTTH-ZIAGYGMSSA-N	1	2	335.408	0.293	10	30		ECEELO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000247233124	534862121	/nfs/dbraw/zinc/86/21/21/534862121.db2.gz	RLWRKAWMUXXTTH-ZIAGYGMSSA-N	1	2	335.408	0.293	10	30		ECEELO
COc1cc(C[NH+]2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1C#N	ZINC000886026663	590787345	/nfs/dbraw/zinc/78/73/45/590787345.db2.gz	CQHBCYPOBFVVEA-SFHVURJKSA-N	1	2	344.415	0.329	10	30		ECEELO
Cn1cc[nH+]c1[C@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CCC(=O)N1C	ZINC000886085029	590793528	/nfs/dbraw/zinc/79/35/28/590793528.db2.gz	VWRRIKGURZYNQO-IUODEOHRSA-N	1	2	340.387	0.722	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000170924406	436962539	/nfs/dbraw/zinc/96/25/39/436962539.db2.gz	RGPZDBXNJJHRQY-HNNXBMFYSA-N	1	2	344.419	0.115	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000170924406	436962541	/nfs/dbraw/zinc/96/25/41/436962541.db2.gz	RGPZDBXNJJHRQY-HNNXBMFYSA-N	1	2	344.419	0.115	10	30		ECEELO
C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1	ZINC000175947982	437125029	/nfs/dbraw/zinc/12/50/29/437125029.db2.gz	MWKXTKUEJHCGPH-LLVKDONJSA-N	1	2	334.351	0.473	10	30		ECEELO
Cn1c(=O)c(C#N)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)n(C)c1=O	ZINC000301647377	437127842	/nfs/dbraw/zinc/12/78/42/437127842.db2.gz	QDVBUQNRCSDEGV-LBPRGKRZSA-N	1	2	327.344	0.008	10	30		ECEELO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000176000262	437128015	/nfs/dbraw/zinc/12/80/15/437128015.db2.gz	KIQSFOHHGMKFEG-CQSZACIVSA-N	1	2	346.362	0.569	10	30		ECEELO
COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000117522533	221074122	/nfs/dbraw/zinc/07/41/22/221074122.db2.gz	SQPMEOXDYQVWNJ-CYBMUJFWSA-N	1	2	330.388	0.676	10	30		ECEELO
COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000117522533	221074123	/nfs/dbraw/zinc/07/41/23/221074123.db2.gz	SQPMEOXDYQVWNJ-CYBMUJFWSA-N	1	2	330.388	0.676	10	30		ECEELO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000246595668	165139617	/nfs/dbraw/zinc/13/96/17/165139617.db2.gz	VNDHAFOGXDBTCO-CZUORRHYSA-N	1	2	335.429	0.899	10	30		ECEELO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382862	165160406	/nfs/dbraw/zinc/16/04/06/165160406.db2.gz	WBFIWSARHPGKJJ-YQQAZPJKSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382862	165160411	/nfs/dbraw/zinc/16/04/11/165160411.db2.gz	WBFIWSARHPGKJJ-YQQAZPJKSA-N	1	2	333.432	0.685	10	30		ECEELO
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000246468166	436779032	/nfs/dbraw/zinc/77/90/32/436779032.db2.gz	NWQADBDCGHOKRL-HZPDHXFCSA-N	1	2	334.464	0.982	10	30		ECEELO
C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000246468185	436779082	/nfs/dbraw/zinc/77/90/82/436779082.db2.gz	NWQADBDCGHOKRL-JKSUJKDBSA-N	1	2	334.464	0.982	10	30		ECEELO
N#CCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000178697081	437224595	/nfs/dbraw/zinc/22/45/95/437224595.db2.gz	KTLTUYQVFHXTOS-MRXNPFEDSA-N	1	2	337.445	0.971	10	30		ECEELO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000179169692	437253858	/nfs/dbraw/zinc/25/38/58/437253858.db2.gz	GIIDTQBKWZQKLL-HUUCEWRRSA-N	1	2	341.371	0.110	10	30		ECEELO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000179169692	437253863	/nfs/dbraw/zinc/25/38/63/437253863.db2.gz	GIIDTQBKWZQKLL-HUUCEWRRSA-N	1	2	341.371	0.110	10	30		ECEELO
C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]21	ZINC000329158770	740439119	/nfs/dbraw/zinc/43/91/19/740439119.db2.gz	CZYGJHCQFCRDEL-RKDXNWHRSA-N	1	2	348.329	0.642	10	30		ECEELO
C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]21	ZINC000329158770	740439122	/nfs/dbraw/zinc/43/91/22/740439122.db2.gz	CZYGJHCQFCRDEL-RKDXNWHRSA-N	1	2	348.329	0.642	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118115799	221121266	/nfs/dbraw/zinc/12/12/66/221121266.db2.gz	YALZYNSLCRVXDO-GFCCVEGCSA-N	1	2	336.779	0.597	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118115799	221121268	/nfs/dbraw/zinc/12/12/68/221121268.db2.gz	YALZYNSLCRVXDO-GFCCVEGCSA-N	1	2	336.779	0.597	10	30		ECEELO
CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000105893847	436584559	/nfs/dbraw/zinc/58/45/59/436584559.db2.gz	QXYBMXOIYBHQSD-INIZCTEOSA-N	1	2	333.436	0.963	10	30		ECEELO
CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000105893847	436584563	/nfs/dbraw/zinc/58/45/63/436584563.db2.gz	QXYBMXOIYBHQSD-INIZCTEOSA-N	1	2	333.436	0.963	10	30		ECEELO
C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000121681558	436722444	/nfs/dbraw/zinc/72/24/44/436722444.db2.gz	MMSMYFMFMINPIB-ZBFHGGJFSA-N	1	2	342.395	0.946	10	30		ECEELO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(NC(C)=O)C2)c(OC)c1	ZINC000191729255	437653403	/nfs/dbraw/zinc/65/34/03/437653403.db2.gz	DBSPFBZKCRXSPF-INIZCTEOSA-N	1	2	334.416	0.984	10	30		ECEELO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000367169990	438176934	/nfs/dbraw/zinc/17/69/34/438176934.db2.gz	GSGZAAZEMZQDOS-HZSPNIEDSA-N	1	2	330.454	0.118	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000170683635	436949606	/nfs/dbraw/zinc/94/96/06/436949606.db2.gz	OHIAPEAFSUIKKB-LBPRGKRZSA-N	1	2	336.779	0.597	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000170683635	436949608	/nfs/dbraw/zinc/94/96/08/436949608.db2.gz	OHIAPEAFSUIKKB-LBPRGKRZSA-N	1	2	336.779	0.597	10	30		ECEELO
Cc1cc(NC(=O)NC2CCN(c3nccn(C)c3=O)CC2)cc[nH+]1	ZINC000328640310	437244633	/nfs/dbraw/zinc/24/46/33/437244633.db2.gz	QAFFACVWFSELGE-UHFFFAOYSA-N	1	2	342.403	0.901	10	30		ECEELO
N#Cc1ccccc1OCC[NH+]1CCN([C@@]2(C(N)=O)CCOC2)CC1	ZINC000886079669	590791819	/nfs/dbraw/zinc/79/18/19/590791819.db2.gz	HRMLTOOADNSCSB-SFHVURJKSA-N	1	2	344.415	0.199	10	30		ECEELO
COc1ccc(C[NH+]2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1C#N	ZINC000886093391	590794416	/nfs/dbraw/zinc/79/44/16/590794416.db2.gz	HWJDEUZQJVJFNN-SFHVURJKSA-N	1	2	344.415	0.329	10	30		ECEELO
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000246101655	165122814	/nfs/dbraw/zinc/12/28/14/165122814.db2.gz	MLJHYHQJYGXEJK-DZGCQCFKSA-N	1	2	335.429	0.899	10	30		ECEELO
C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000105868748	436583454	/nfs/dbraw/zinc/58/34/54/436583454.db2.gz	HIIJRTFCIDWOMR-CQSZACIVSA-N	1	2	331.420	0.444	10	30		ECEELO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+]1CCOC[C@@H]1C	ZINC000301394116	437120533	/nfs/dbraw/zinc/12/05/33/437120533.db2.gz	KCTLXSPZTNADEM-NEPJUHHUSA-N	1	2	338.433	0.727	10	30		ECEELO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+]1CCOC[C@@H]1C	ZINC000301394116	437120536	/nfs/dbraw/zinc/12/05/36/437120536.db2.gz	KCTLXSPZTNADEM-NEPJUHHUSA-N	1	2	338.433	0.727	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000180247959	437283371	/nfs/dbraw/zinc/28/33/71/437283371.db2.gz	QTNNJMMIIJMVCM-PBHICJAKSA-N	1	2	341.411	0.786	10	30		ECEELO
CCN1CCO[C@@H](CNc2nccc(C#N)n2)[C@@H]1c1[nH+]ccn1C	ZINC000886082054	590792650	/nfs/dbraw/zinc/79/26/50/590792650.db2.gz	ZCNWPRHPKJVWMN-UONOGXRCSA-N	1	2	327.392	0.956	10	30		ECEELO
CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C	ZINC000117368521	221057465	/nfs/dbraw/zinc/05/74/65/221057465.db2.gz	XOHQPBBUIONQMC-ZDUSSCGKSA-N	1	2	338.433	0.685	10	30		ECEELO
CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C	ZINC000117368521	221057467	/nfs/dbraw/zinc/05/74/67/221057467.db2.gz	XOHQPBBUIONQMC-ZDUSSCGKSA-N	1	2	338.433	0.685	10	30		ECEELO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1	ZINC000031582731	436229801	/nfs/dbraw/zinc/22/98/01/436229801.db2.gz	DXMSRYJMJCBZJJ-STQMWFEESA-N	1	2	347.419	0.613	10	30		ECEELO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000121542576	436719620	/nfs/dbraw/zinc/71/96/20/436719620.db2.gz	DWYMPPPVGGXILA-OAHLLOKOSA-N	1	2	328.368	0.700	10	30		ECEELO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1F	ZINC000174007707	437073627	/nfs/dbraw/zinc/07/36/27/437073627.db2.gz	UMLCLUGCDBBJPG-AWEZNQCLSA-N	1	2	346.362	0.569	10	30		ECEELO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1C#N	ZINC000174009944	437073633	/nfs/dbraw/zinc/07/36/33/437073633.db2.gz	VLVDKOBNEMXSOM-CQSZACIVSA-N	1	2	342.399	0.738	10	30		ECEELO
C[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000175002556	437092911	/nfs/dbraw/zinc/09/29/11/437092911.db2.gz	BVGNATYWSLSVTR-AWEZNQCLSA-N	1	2	332.404	0.957	10	30		ECEELO
C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000183609267	437388068	/nfs/dbraw/zinc/38/80/68/437388068.db2.gz	GWHGSJWPMCVAJX-NSHDSACASA-N	1	2	329.809	0.821	10	30		ECEELO
C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000183609267	437388071	/nfs/dbraw/zinc/38/80/71/437388071.db2.gz	GWHGSJWPMCVAJX-NSHDSACASA-N	1	2	329.809	0.821	10	30		ECEELO
CCN1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1[nH+]ccn1C	ZINC000886027148	590786877	/nfs/dbraw/zinc/78/68/77/590786877.db2.gz	JNPMDTBSQGTMED-LSDHHAIUSA-N	1	2	342.403	0.812	10	30		ECEELO
Cn1cc(CN2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1	ZINC000105869264	436583325	/nfs/dbraw/zinc/58/33/25/436583325.db2.gz	ONXFGTDMHGSRSA-GOSISDBHSA-N	1	2	344.463	0.736	10	30		ECEELO
Cn1cc(CN2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1	ZINC000105869264	436583327	/nfs/dbraw/zinc/58/33/27/436583327.db2.gz	ONXFGTDMHGSRSA-GOSISDBHSA-N	1	2	344.463	0.736	10	30		ECEELO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1	ZINC000174009628	437073829	/nfs/dbraw/zinc/07/38/29/437073829.db2.gz	XYLWCOAQYSFSNY-OAHLLOKOSA-N	1	2	328.372	0.430	10	30		ECEELO
CCN1CCO[C@@H](CNc2ccnc(C#N)c2)[C@@H]1c1[nH+]ccn1C	ZINC000886095454	590794832	/nfs/dbraw/zinc/79/48/32/590794832.db2.gz	WZMAMBLHAAQNIN-JKSUJKDBSA-N	1	2	326.404	0.983	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)c1	ZINC000117522278	436657571	/nfs/dbraw/zinc/65/75/71/436657571.db2.gz	WRFDHEDNGZNIEZ-AWEZNQCLSA-N	1	2	329.400	0.786	10	30		ECEELO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)c1	ZINC000117522278	436657573	/nfs/dbraw/zinc/65/75/73/436657573.db2.gz	WRFDHEDNGZNIEZ-AWEZNQCLSA-N	1	2	329.400	0.786	10	30		ECEELO
COC(=O)C1=C[C@@H](OS(C)(=O)=O)C[N@H+](Cc2ccccc2)C1	ZINC000309973310	437169218	/nfs/dbraw/zinc/16/92/18/437169218.db2.gz	PBYOGEPAIGEEBF-CQSZACIVSA-N	1	2	325.386	0.946	10	30		ECEELO
COC(=O)C1=C[C@@H](OS(C)(=O)=O)C[N@@H+](Cc2ccccc2)C1	ZINC000309973310	437169222	/nfs/dbraw/zinc/16/92/22/437169222.db2.gz	PBYOGEPAIGEEBF-CQSZACIVSA-N	1	2	325.386	0.946	10	30		ECEELO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000180246621	437282166	/nfs/dbraw/zinc/28/21/66/437282166.db2.gz	WSZKDAIVDSWMLV-BBRMVZONSA-N	1	2	342.399	0.676	10	30		ECEELO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105816975	436580511	/nfs/dbraw/zinc/58/05/11/436580511.db2.gz	JLEUTDOLGFARMC-ZDUSSCGKSA-N	1	2	342.407	0.007	10	30		ECEELO
C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000170683632	436949102	/nfs/dbraw/zinc/94/91/02/436949102.db2.gz	OHIAPEAFSUIKKB-GFCCVEGCSA-N	1	2	336.779	0.597	10	30		ECEELO
C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000170683632	436949105	/nfs/dbraw/zinc/94/91/05/436949105.db2.gz	OHIAPEAFSUIKKB-GFCCVEGCSA-N	1	2	336.779	0.597	10	30		ECEELO
CNc1cc(N2CCC[C@H]2CNS(=O)(=O)CCCC#N)nc[nH+]1	ZINC000173898550	437067713	/nfs/dbraw/zinc/06/77/13/437067713.db2.gz	GCZRRFKAHWNXBK-LBPRGKRZSA-N	1	2	338.437	0.710	10	30		ECEELO
CNc1cc(N2CCC[C@H]2CNS(=O)(=O)CCCC#N)[nH+]cn1	ZINC000173898550	437067718	/nfs/dbraw/zinc/06/77/18/437067718.db2.gz	GCZRRFKAHWNXBK-LBPRGKRZSA-N	1	2	338.437	0.710	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000374416075	438206405	/nfs/dbraw/zinc/20/64/05/438206405.db2.gz	PMFPQSQXVHPMLQ-ILXRZTDVSA-N	1	2	344.481	0.365	10	30		ECEELO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000120215748	590101598	/nfs/dbraw/zinc/10/15/98/590101598.db2.gz	YPHPJFQPXSZQMQ-ABAIWWIYSA-N	1	2	340.387	0.657	10	30		ECEELO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000120215748	590101600	/nfs/dbraw/zinc/10/16/00/590101600.db2.gz	YPHPJFQPXSZQMQ-ABAIWWIYSA-N	1	2	340.387	0.657	10	30		ECEELO
O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1N1CCOCC1	ZINC000330100014	741620240	/nfs/dbraw/zinc/62/02/40/741620240.db2.gz	DIQOVKXYMPKOGV-OAHLLOKOSA-N	1	2	349.431	0.521	10	30		ECEELO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892727	436584392	/nfs/dbraw/zinc/58/43/92/436584392.db2.gz	GFUOUWSDGVYGPH-HOCLYGCPSA-N	1	2	333.436	0.901	10	30		ECEELO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000105892727	436584396	/nfs/dbraw/zinc/58/43/96/436584396.db2.gz	GFUOUWSDGVYGPH-HOCLYGCPSA-N	1	2	333.436	0.901	10	30		ECEELO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000174009244	437072645	/nfs/dbraw/zinc/07/26/45/437072645.db2.gz	GTCYMNGLMZMNHD-HNNXBMFYSA-N	1	2	342.399	0.738	10	30		ECEELO
Cc1nnc(C[N@@H+](C)[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1	ZINC000328627047	437241284	/nfs/dbraw/zinc/24/12/84/437241284.db2.gz	FSSSHPLTRABRBH-CHWSQXEVSA-N	1	2	348.794	0.980	10	30		ECEELO
Cc1nnc(C[N@H+](C)[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1	ZINC000328627047	437241286	/nfs/dbraw/zinc/24/12/86/437241286.db2.gz	FSSSHPLTRABRBH-CHWSQXEVSA-N	1	2	348.794	0.980	10	30		ECEELO
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000367169994	438177296	/nfs/dbraw/zinc/17/72/96/438177296.db2.gz	GSGZAAZEMZQDOS-MGPQQGTHSA-N	1	2	330.454	0.118	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNc2ccncc2C#N)[C@@H]1c1cnn(C)c1	ZINC000596449351	438964008	/nfs/dbraw/zinc/96/40/08/438964008.db2.gz	FNZAALNWLTZTNF-IRXDYDNUSA-N	1	2	326.404	0.983	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNc2ccncc2C#N)[C@@H]1c1cnn(C)c1	ZINC000596449351	438964013	/nfs/dbraw/zinc/96/40/13/438964013.db2.gz	FNZAALNWLTZTNF-IRXDYDNUSA-N	1	2	326.404	0.983	10	30		ECEELO
C[C@](O)(CNC(=O)c1ncoc1[C@H]1CCCO1)C[NH+]1CCOCC1	ZINC000330038966	291338145	/nfs/dbraw/zinc/33/81/45/291338145.db2.gz	BSPOZLLXBJMGLE-WBMJQRKESA-N	1	2	339.392	0.914	10	30		ECEELO
C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000121681738	278391150	/nfs/dbraw/zinc/39/11/50/278391150.db2.gz	MMSMYFMFMINPIB-HOCLYGCPSA-N	1	2	342.395	0.946	10	30		ECEELO
CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105817274	436579640	/nfs/dbraw/zinc/57/96/40/436579640.db2.gz	XYFMHCGXZKIXFE-UHFFFAOYSA-N	1	2	342.407	0.008	10	30		ECEELO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N(C)CCC#N	ZINC000069772153	610173395	/nfs/dbraw/zinc/17/33/95/610173395.db2.gz	ULYDMJOHZYMAIT-LBPRGKRZSA-N	1	2	338.433	0.699	10	30		ECEELO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N(C)CCC#N	ZINC000069772153	610173396	/nfs/dbraw/zinc/17/33/96/610173396.db2.gz	ULYDMJOHZYMAIT-LBPRGKRZSA-N	1	2	338.433	0.699	10	30		ECEELO
Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1	ZINC000031582719	436230026	/nfs/dbraw/zinc/23/00/26/436230026.db2.gz	DXMSRYJMJCBZJJ-CHWSQXEVSA-N	1	2	347.419	0.613	10	30		ECEELO
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cnc(C)s2)CC1	ZINC000105813563	436580027	/nfs/dbraw/zinc/58/00/27/436580027.db2.gz	IQMSQSGVUPPCGE-UHFFFAOYSA-N	1	2	337.449	0.581	10	30		ECEELO
CCOc1ccnc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1	ZINC000105868458	436583558	/nfs/dbraw/zinc/58/35/58/436583558.db2.gz	GPXAMQLSKWHGTL-CQSZACIVSA-N	1	2	346.435	0.758	10	30		ECEELO
Cc1nnc(C[N@@H+](C)[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1	ZINC000328627048	437242521	/nfs/dbraw/zinc/24/25/21/437242521.db2.gz	FSSSHPLTRABRBH-QWHCGFSZSA-N	1	2	348.794	0.980	10	30		ECEELO
Cc1nnc(C[N@H+](C)[C@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)o1	ZINC000328627048	437242524	/nfs/dbraw/zinc/24/25/24/437242524.db2.gz	FSSSHPLTRABRBH-QWHCGFSZSA-N	1	2	348.794	0.980	10	30		ECEELO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000370185024	438558125	/nfs/dbraw/zinc/55/81/25/438558125.db2.gz	PWYVEOMNHCLPMI-KGLIPLIRSA-N	1	2	330.454	0.119	10	30		ECEELO
O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1coc(C2CCOCC2)n1	ZINC000329896013	741616838	/nfs/dbraw/zinc/61/68/38/741616838.db2.gz	CEYVXFPQJYXLAQ-CYBMUJFWSA-N	1	2	339.392	0.566	10	30		ECEELO
CCOc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1	ZINC000105868455	436583024	/nfs/dbraw/zinc/58/30/24/436583024.db2.gz	GPXAMQLSKWHGTL-AWEZNQCLSA-N	1	2	346.435	0.758	10	30		ECEELO
N#CCc1ccc(OC[C@H](O)C[NH+]2CC(NC(=O)C3CC3)C2)cc1	ZINC000187980178	437519774	/nfs/dbraw/zinc/51/97/74/437519774.db2.gz	UAPXCUOCFLSDRA-MRXNPFEDSA-N	1	2	329.400	0.703	10	30		ECEELO
CC[N@@H+]1CCO[C@@H](CNc2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000596451437	438964380	/nfs/dbraw/zinc/96/43/80/438964380.db2.gz	XEAGLSUXFPONPY-IRXDYDNUSA-N	1	2	326.404	0.983	10	30		ECEELO
CC[N@H+]1CCO[C@@H](CNc2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000596451437	438964384	/nfs/dbraw/zinc/96/43/84/438964384.db2.gz	XEAGLSUXFPONPY-IRXDYDNUSA-N	1	2	326.404	0.983	10	30		ECEELO