smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\OC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1COc2ccccc2O1	ZINC000020791677	202054572	/nfs/dbraw/zinc/05/45/72/202054572.db2.gz	DNMMGEQEIHMMDT-WVISYZLISA-N	1	1	336.388	0.912	50	30		ECEAMO
CS(=O)(=O)NCCC[N@H+]1CC[C@H](CNc2ncccc2C#N)C1	ZINC000065531049	201155642	/nfs/dbraw/zinc/15/56/42/201155642.db2.gz	WIFXPCIYPYNFHT-CYBMUJFWSA-N	1	1	337.449	0.626	50	30		ECEAMO
Cn1c(NCC[N@H+]2CCc3ccccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000045026616	202541900	/nfs/dbraw/zinc/54/19/00/202541900.db2.gz	OEPKHDNGSMVVPJ-UHFFFAOYSA-N	1	1	339.399	0.426	50	30		ECEAMO
N#Cc1cccnc1N1CCC[N@@H+](CC(=O)N2CCOCC2)CC1	ZINC000071824885	203120949	/nfs/dbraw/zinc/12/09/49/203120949.db2.gz	IYHLVLIUJXWWAF-UHFFFAOYSA-N	1	1	329.404	0.324	50	30		ECEAMO
N#Cc1cccnc1N1CCC[N@H+](CC(=O)N2CCOCC2)CC1	ZINC000071824885	203120951	/nfs/dbraw/zinc/12/09/51/203120951.db2.gz	IYHLVLIUJXWWAF-UHFFFAOYSA-N	1	1	329.404	0.324	50	30		ECEAMO
C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069922669	435978263	/nfs/dbraw/zinc/97/82/63/435978263.db2.gz	YMNRKCYWSIQGCD-KDOFPFPSSA-N	1	1	336.480	0.819	50	30		ECEAMO
CC(C)C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+]1CCOCC1	ZINC000022535229	436119015	/nfs/dbraw/zinc/11/90/15/436119015.db2.gz	OUCQETRVPAPQDM-ZDUSSCGKSA-N	1	1	349.435	0.114	50	30		ECEAMO
COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000076969703	436220964	/nfs/dbraw/zinc/22/09/64/436220964.db2.gz	QMDWYDXJNLGXCI-AWEZNQCLSA-N	1	1	344.415	0.748	50	30		ECEAMO
COC(=O)CNC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000076969703	436220968	/nfs/dbraw/zinc/22/09/68/436220968.db2.gz	QMDWYDXJNLGXCI-AWEZNQCLSA-N	1	1	344.415	0.748	50	30		ECEAMO
CCc1nc(CN(C)[C@H]2CC[N@@H+](CCn3cc(C#N)cn3)C2)no1	ZINC000078891427	436282693	/nfs/dbraw/zinc/28/26/93/436282693.db2.gz	SPJLXSHEBAPNRY-AWEZNQCLSA-N	1	1	329.408	0.906	50	30		ECEAMO
CC[NH+]1CCN(C[C@@H]2CN(c3cc(C#N)ccn3)C[C@@H]2CO)CC1	ZINC000095386157	436494064	/nfs/dbraw/zinc/49/40/64/436494064.db2.gz	LHQVDUOUDNRHQI-IAGOWNOFSA-N	1	1	329.448	0.635	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000058192713	436621240	/nfs/dbraw/zinc/62/12/40/436621240.db2.gz	QOVAICSDOLOIBU-UHFFFAOYSA-N	1	1	335.429	0.376	50	30		ECEAMO
C[NH+]1CCN(C(=O)CC2CCN(c3cnc(C#N)cn3)CC2)CC1	ZINC000124255673	436746791	/nfs/dbraw/zinc/74/67/91/436746791.db2.gz	CSZPLAIFQPCIGD-UHFFFAOYSA-N	1	1	328.420	0.729	50	30		ECEAMO
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1CCNS(C)(=O)=O	ZINC000170607200	436946311	/nfs/dbraw/zinc/94/63/11/436946311.db2.gz	CQCRDDDKZBHGCC-CQSZACIVSA-N	1	1	336.461	0.614	50	30		ECEAMO
C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1CCNS(C)(=O)=O	ZINC000170607200	436946314	/nfs/dbraw/zinc/94/63/14/436946314.db2.gz	CQCRDDDKZBHGCC-CQSZACIVSA-N	1	1	336.461	0.614	50	30		ECEAMO
C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846190	439709408	/nfs/dbraw/zinc/70/94/08/439709408.db2.gz	NDTNBXGWCDNRCS-SJLPKXTDSA-N	1	1	330.432	0.987	50	30		ECEAMO
CC[NH+]=C(NCCc1cnn(C)c1C)NC[C@H](C)N1CCN(C)CC1	ZINC000097022024	258067955	/nfs/dbraw/zinc/06/79/55/258067955.db2.gz	ZUNWQNSFTOBEKZ-HNNXBMFYSA-N	1	1	349.527	0.462	50	30		ECEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOC)n(C)c1=O	ZINC000008725123	273483711	/nfs/dbraw/zinc/48/37/11/273483711.db2.gz	TXIXKEHHBVSBFU-UHFFFAOYSA-N	1	1	346.391	0.315	50	30		ECEAMO
CO/[NH+]=C/c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000004049818	435976425	/nfs/dbraw/zinc/97/64/25/435976425.db2.gz	MJBRIOXFTNEZTG-GXDHUFHOSA-N	1	1	342.377	0.657	50	30		ECEAMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000072300778	436041992	/nfs/dbraw/zinc/04/19/92/436041992.db2.gz	JSVODDWEWCWCMJ-DYVFJYSZSA-N	1	1	334.420	0.497	50	30		ECEAMO
C=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)[nH+]1	ZINC000019774475	436106715	/nfs/dbraw/zinc/10/67/15/436106715.db2.gz	DACGMYDSHIZEQP-UHFFFAOYSA-N	1	1	349.439	0.050	50	30		ECEAMO
CC[N@@H+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091643520	436457627	/nfs/dbraw/zinc/45/76/27/436457627.db2.gz	ACJWXAAXBJEJPY-HUUCEWRRSA-N	1	1	337.445	0.739	50	30		ECEAMO
COCC[NH+]1CCN(CC(=O)N(C)Cc2cc(C#N)ccc2F)CC1	ZINC000069893818	203060769	/nfs/dbraw/zinc/06/07/69/203060769.db2.gz	WPVZILATIKDPGN-UHFFFAOYSA-N	1	1	348.422	0.920	50	30		ECEAMO
N#CCCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000069744438	435962529	/nfs/dbraw/zinc/96/25/29/435962529.db2.gz	SFGIYNWXYPVVIH-INIZCTEOSA-N	1	1	346.431	0.074	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCCO)n(C)c1=O	ZINC000010335406	436040494	/nfs/dbraw/zinc/04/04/94/436040494.db2.gz	RZAQCFSCXWFVHB-LLVKDONJSA-N	1	1	346.391	0.222	50	30		ECEAMO
COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1	ZINC000095358253	436492475	/nfs/dbraw/zinc/49/24/75/436492475.db2.gz	VNUDEOUKLKFANS-IEBWSBKVSA-N	1	1	343.427	0.990	50	30		ECEAMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000106665390	436600457	/nfs/dbraw/zinc/60/04/57/436600457.db2.gz	QRBNSTZXSBPKAA-AEFFLSMTSA-N	1	1	342.399	0.895	50	30		ECEAMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000106665390	436600458	/nfs/dbraw/zinc/60/04/58/436600458.db2.gz	QRBNSTZXSBPKAA-AEFFLSMTSA-N	1	1	342.399	0.895	50	30		ECEAMO
CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000257191165	436860094	/nfs/dbraw/zinc/86/00/94/436860094.db2.gz	PEVKUTFZCYDGGO-MSOLQXFVSA-N	1	1	342.443	0.704	50	30		ECEAMO
CNC(=O)[C@@H]1C[C@@H](O)CN1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000257191165	436860097	/nfs/dbraw/zinc/86/00/97/436860097.db2.gz	PEVKUTFZCYDGGO-MSOLQXFVSA-N	1	1	342.443	0.704	50	30		ECEAMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1nn(C)cc1C#N	ZINC000584908380	439626179	/nfs/dbraw/zinc/62/61/79/439626179.db2.gz	VNTCZWWVMDTQRH-UHFFFAOYSA-N	1	1	334.424	1.114	50	30		ECEAMO
C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000020919544	212187780	/nfs/dbraw/zinc/18/77/80/212187780.db2.gz	SMKSIQRXJRNFOB-KRWDZBQOSA-N	1	1	347.459	0.595	50	30		ECEAMO
Cn1c(N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000230114524	290056957	/nfs/dbraw/zinc/05/69/57/290056957.db2.gz	ZDHYVTSGDLPPHB-HNNXBMFYSA-N	1	1	339.399	0.449	50	30		ECEAMO
Cn1c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000230114524	290056958	/nfs/dbraw/zinc/05/69/58/290056958.db2.gz	ZDHYVTSGDLPPHB-HNNXBMFYSA-N	1	1	339.399	0.449	50	30		ECEAMO
CN(CCC#N)C(=O)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000069625465	435953419	/nfs/dbraw/zinc/95/34/19/435953419.db2.gz	AIFJDYTUUNCFHQ-KRWDZBQOSA-N	1	1	330.432	0.710	50	30		ECEAMO
CN(CCC#N)C(=O)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000069625468	435954293	/nfs/dbraw/zinc/95/42/93/435954293.db2.gz	AIFJDYTUUNCFHQ-QGZVFWFLSA-N	1	1	330.432	0.710	50	30		ECEAMO
C#CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1cnn(C)c1)[NH+](C)C	ZINC000072287731	436038449	/nfs/dbraw/zinc/03/84/49/436038449.db2.gz	CPFBEGLLFQTOGK-CVEARBPZSA-N	1	1	333.436	0.847	50	30		ECEAMO
C=CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C/C=C\C)c(=O)n1C	ZINC000096019633	436503665	/nfs/dbraw/zinc/50/36/65/436503665.db2.gz	GGGWEMWGGXFMDY-ALCCZGGFSA-N	1	1	328.376	0.855	50	30		ECEAMO
C#CCOc1ccc(CCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1	ZINC000106850892	436604400	/nfs/dbraw/zinc/60/44/00/436604400.db2.gz	SCOPCXGWHASETQ-KRWDZBQOSA-N	1	1	344.459	0.786	50	30		ECEAMO
CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000058147637	436620990	/nfs/dbraw/zinc/62/09/90/436620990.db2.gz	NVKIMPLKQACKGK-GFCCVEGCSA-N	1	1	330.392	0.309	50	30		ECEAMO
CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000058147637	436620992	/nfs/dbraw/zinc/62/09/92/436620992.db2.gz	NVKIMPLKQACKGK-GFCCVEGCSA-N	1	1	330.392	0.309	50	30		ECEAMO
CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccccc2C#N)CC1	ZINC000244817104	536074755	/nfs/dbraw/zinc/07/47/55/536074755.db2.gz	SUKQDOFDGMUMTK-UHFFFAOYSA-N	1	1	336.461	0.962	50	30		ECEAMO
COc1cc(C#N)c(NC(=O)CN2CC[NH+](CCO)CC2)cc1OC	ZINC000019359527	202005934	/nfs/dbraw/zinc/00/59/34/202005934.db2.gz	YZUIQJTWMPXEER-UHFFFAOYSA-N	1	1	348.403	0.124	50	30		ECEAMO
C=CCn1cc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)COC)C[C@H]3C2)cn1	ZINC000095390592	218322529	/nfs/dbraw/zinc/32/25/29/218322529.db2.gz	ZAZZKQNHBTWADZ-SJLPKXTDSA-N	1	1	348.447	0.501	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCN(C(C)=O)C2)[N@@H+](C)C1	ZINC000329033499	286090488	/nfs/dbraw/zinc/09/04/88/286090488.db2.gz	XXDJJYTUSXDNGJ-PMPSAXMXSA-N	1	1	340.468	0.810	50	30		ECEAMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CCO)CC1	ZINC000071794642	436013930	/nfs/dbraw/zinc/01/39/30/436013930.db2.gz	NQYPDBPVQWDYNJ-PQUAAJSLSA-N	1	1	336.480	0.916	50	30		ECEAMO
CCN1CC[NH+](CCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1	ZINC000073232289	436071396	/nfs/dbraw/zinc/07/13/96/436071396.db2.gz	KQGGQSVBSRUWEF-KRWDZBQOSA-N	1	1	335.496	0.706	50	30		ECEAMO
COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000089396129	436409467	/nfs/dbraw/zinc/40/94/67/436409467.db2.gz	NDXABRCDCRFXEO-HNNXBMFYSA-N	1	1	337.420	0.575	50	30		ECEAMO
C[N@H+]1CCN(C(=O)C2(C#N)CCOCC2)C[C@]12CCNC(=O)CC2	ZINC000092098173	436466800	/nfs/dbraw/zinc/46/68/00/436466800.db2.gz	VEYXFJVCIXARTP-KRWDZBQOSA-N	1	1	334.420	0.120	50	30		ECEAMO
CC[NH+]1CCN(C[C@@H]2CN(c3cccc(C#N)n3)C[C@@H]2CO)CC1	ZINC000095372054	436492511	/nfs/dbraw/zinc/49/25/11/436492511.db2.gz	BFOPEEVHOASGTO-HZPDHXFCSA-N	1	1	329.448	0.635	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000106642317	436600031	/nfs/dbraw/zinc/60/00/31/436600031.db2.gz	IZTGULYCSNXOAW-GJZGRUSLSA-N	1	1	345.399	0.925	50	30		ECEAMO
C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476420	436663213	/nfs/dbraw/zinc/66/32/13/436663213.db2.gz	HRPMWRAJNRUGRL-GOEBONIOSA-N	1	1	343.431	0.934	50	30		ECEAMO
N#CC1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)CC1	ZINC000426479833	438058794	/nfs/dbraw/zinc/05/87/94/438058794.db2.gz	VWPOKRSNDKIEQH-CYBMUJFWSA-N	1	1	329.404	0.901	50	30		ECEAMO
C[N@H+](CCC(=O)N1CCC(C)(C#N)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000670473799	548019224	/nfs/dbraw/zinc/01/92/24/548019224.db2.gz	JULBESPZVDEEFR-ZDUSSCGKSA-N	1	1	327.450	0.648	50	30		ECEAMO
C[N@@H+](CCC(=O)N1CCC(C)(C#N)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000670473799	548019228	/nfs/dbraw/zinc/01/92/28/548019228.db2.gz	JULBESPZVDEEFR-ZDUSSCGKSA-N	1	1	327.450	0.648	50	30		ECEAMO
C=CC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000069771905	435965777	/nfs/dbraw/zinc/96/57/77/435965777.db2.gz	GRWZLYCQFXDNQG-INIZCTEOSA-N	1	1	333.436	0.535	50	30		ECEAMO
C=CC[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000069771905	435965780	/nfs/dbraw/zinc/96/57/80/435965780.db2.gz	GRWZLYCQFXDNQG-INIZCTEOSA-N	1	1	333.436	0.535	50	30		ECEAMO
C#CCNC(=O)CN1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000071907422	436028465	/nfs/dbraw/zinc/02/84/65/436028465.db2.gz	OBBUPLSFFSADII-HNNXBMFYSA-N	1	1	334.464	0.191	50	30		ECEAMO
C#CCNC(=O)CN1CCC[N@H+]([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000071907422	436028470	/nfs/dbraw/zinc/02/84/70/436028470.db2.gz	OBBUPLSFFSADII-HNNXBMFYSA-N	1	1	334.464	0.191	50	30		ECEAMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300779	436043352	/nfs/dbraw/zinc/04/33/52/436043352.db2.gz	JSVODDWEWCWCMJ-CXAGYDPISA-N	1	1	334.420	0.497	50	30		ECEAMO
C#CCOC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097505	436256625	/nfs/dbraw/zinc/25/66/25/436256625.db2.gz	SGDFAFOASAEXHQ-QGZVFWFLSA-N	1	1	336.432	0.733	50	30		ECEAMO
CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104600	436538409	/nfs/dbraw/zinc/53/84/09/436538409.db2.gz	YJFOEGBARKORBD-HNNXBMFYSA-N	1	1	333.392	0.511	50	30		ECEAMO
N#Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)cc1	ZINC000097294840	545729663	/nfs/dbraw/zinc/72/96/63/545729663.db2.gz	AMRMFISBHPGJIO-QGZVFWFLSA-N	1	1	329.400	0.856	50	30		ECEAMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCSC2)CC1	ZINC000328588930	437238281	/nfs/dbraw/zinc/23/82/81/437238281.db2.gz	YWSKWBBYRJRIPR-UONOGXRCSA-N	1	1	340.493	0.892	50	30		ECEAMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451530	203001673	/nfs/dbraw/zinc/00/16/73/203001673.db2.gz	MQJSXTKEQVHFDS-AWEZNQCLSA-N	1	1	338.433	0.442	50	30		ECEAMO
CC(C)N(C)CCNC(NCCCN1CCOCC1)=[NH+]C1CC1	ZINC000069778405	435966516	/nfs/dbraw/zinc/96/65/16/435966516.db2.gz	YVSZWGVJGHWFTN-UHFFFAOYSA-N	1	1	325.501	0.747	50	30		ECEAMO
CCS(=O)(=O)NCCNC(NCCN1CCCCC1)=[NH+]C1CC1	ZINC000078814093	436278801	/nfs/dbraw/zinc/27/88/01/436278801.db2.gz	XTDAAOONMDGZKP-UHFFFAOYSA-N	1	1	345.513	0.109	50	30		ECEAMO
CCC[NH+]=C(NCCCOC)[C@@H](C#N)c1nc(N)nc(N(C)C)n1	ZINC000225503407	436711650	/nfs/dbraw/zinc/71/16/50/436711650.db2.gz	PAYDVMGTQIKTLN-LLVKDONJSA-N	1	1	334.428	0.562	50	30		ECEAMO
CCc1cc(N2CCn3nc(C#N)cc3C2)nc(N2CCOCC2)[nH+]1	ZINC000065433940	436662258	/nfs/dbraw/zinc/66/22/58/436662258.db2.gz	QODFUXPLIWIALN-UHFFFAOYSA-N	1	1	339.403	0.964	50	30		ECEAMO
Cc1cnn(C[C@@H]2C[N@H+](CCC(=O)N(CC#N)CC#N)CCO2)c1	ZINC000069452906	436773755	/nfs/dbraw/zinc/77/37/55/436773755.db2.gz	IUQGRRNXDAOSLH-HNNXBMFYSA-N	1	1	330.392	0.158	50	30		ECEAMO
Cc1cnn(C[C@@H]2C[N@@H+](CCC(=O)N(CC#N)CC#N)CCO2)c1	ZINC000069452906	436773757	/nfs/dbraw/zinc/77/37/57/436773757.db2.gz	IUQGRRNXDAOSLH-HNNXBMFYSA-N	1	1	330.392	0.158	50	30		ECEAMO
CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000257189644	436857091	/nfs/dbraw/zinc/85/70/91/436857091.db2.gz	JKNGEGNTNYMHKN-MSOLQXFVSA-N	1	1	342.443	0.704	50	30		ECEAMO
CNC(=O)[C@@H]1C[C@@H](O)CN1C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000257189644	436857094	/nfs/dbraw/zinc/85/70/94/436857094.db2.gz	JKNGEGNTNYMHKN-MSOLQXFVSA-N	1	1	342.443	0.704	50	30		ECEAMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000257366300	436876473	/nfs/dbraw/zinc/87/64/73/436876473.db2.gz	QXDRPGMGVFCKLY-GUYCJALGSA-N	1	1	336.436	0.721	50	30		ECEAMO
N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](CCO)C2)CC1	ZINC000097492593	545731245	/nfs/dbraw/zinc/73/12/45/545731245.db2.gz	IXGQJBFMDLDBEJ-KRWDZBQOSA-N	1	1	342.443	0.911	50	30		ECEAMO
C=CCN1C[C@H](C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)CC1=O	ZINC000067947652	215255986	/nfs/dbraw/zinc/25/59/86/215255986.db2.gz	RPCLOCCQTMYFRI-MRXNPFEDSA-N	1	1	348.491	0.649	50	30		ECEAMO
C=CCN1C[C@H](C(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)CC1=O	ZINC000067947652	215255989	/nfs/dbraw/zinc/25/59/89/215255989.db2.gz	RPCLOCCQTMYFRI-MRXNPFEDSA-N	1	1	348.491	0.649	50	30		ECEAMO
N#Cc1cc2n(n1)CCCN(c1nc(N3CCC[C@@H](O)C3)cc[nH+]1)C2	ZINC000065435230	132809452	/nfs/dbraw/zinc/80/94/52/132809452.db2.gz	MGAIWEDVZHHVGY-OAHLLOKOSA-N	1	1	339.403	0.916	50	30		ECEAMO
C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC000330195046	289036197	/nfs/dbraw/zinc/03/61/97/289036197.db2.gz	BJXGKUKOVXBWCT-HZSPNIEDSA-N	1	1	347.481	0.255	50	30		ECEAMO
N#Cc1c(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cn2ccccc12	ZINC000069879578	435973704	/nfs/dbraw/zinc/97/37/04/435973704.db2.gz	CYGQLJPYOZSMID-ZDUSSCGKSA-N	1	1	347.444	0.816	50	30		ECEAMO
N#Cc1c(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cn2ccccc12	ZINC000069879578	435973710	/nfs/dbraw/zinc/97/37/10/435973710.db2.gz	CYGQLJPYOZSMID-ZDUSSCGKSA-N	1	1	347.444	0.816	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)[NH+](C)C)c1	ZINC000096410776	436532137	/nfs/dbraw/zinc/53/21/37/436532137.db2.gz	KAGJYPILSCDWTL-MRXNPFEDSA-N	1	1	339.399	0.759	50	30		ECEAMO
N#Cc1cccnc1NC[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1	ZINC000065496882	436664722	/nfs/dbraw/zinc/66/47/22/436664722.db2.gz	CPWJHEYAWMCSGG-AWEZNQCLSA-N	1	1	329.404	0.546	50	30		ECEAMO
Cc1noc([C@H](C)N2CC[NH+](CCC(=O)N(CC#N)CC#N)CC2)n1	ZINC000069370378	436769749	/nfs/dbraw/zinc/76/97/49/436769749.db2.gz	TVZVYLUPPFYKTK-ZDUSSCGKSA-N	1	1	345.407	0.322	50	30		ECEAMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](C)(CO)C2)CC1	ZINC000253370055	436839668	/nfs/dbraw/zinc/83/96/68/436839668.db2.gz	LMMCGHNVDCBIOO-AEFFLSMTSA-N	1	1	336.480	0.773	50	30		ECEAMO
COC(=O)[C@H]1CSCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000328597813	437237053	/nfs/dbraw/zinc/23/70/53/437237053.db2.gz	IVTDLKRQUXXPGE-CYBMUJFWSA-N	1	1	338.433	0.480	50	30		ECEAMO
COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000328597813	437237058	/nfs/dbraw/zinc/23/70/58/437237058.db2.gz	IVTDLKRQUXXPGE-CYBMUJFWSA-N	1	1	338.433	0.480	50	30		ECEAMO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000330181443	437464423	/nfs/dbraw/zinc/46/44/23/437464423.db2.gz	OBUZQLGZAUZDJO-FXUDXRNXSA-N	1	1	341.452	0.889	50	30		ECEAMO
C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1	ZINC000408516719	438581551	/nfs/dbraw/zinc/58/15/51/438581551.db2.gz	RFCLXJCZEXCVKJ-CQSZACIVSA-N	1	1	326.360	0.595	50	30		ECEAMO
C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1	ZINC000408516719	438581553	/nfs/dbraw/zinc/58/15/53/438581553.db2.gz	RFCLXJCZEXCVKJ-CQSZACIVSA-N	1	1	326.360	0.595	50	30		ECEAMO
N#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)cn1	ZINC000299798240	258102284	/nfs/dbraw/zinc/10/22/84/258102284.db2.gz	RPXBINURWCEHPQ-UHFFFAOYSA-N	1	1	327.388	0.426	50	30		ECEAMO
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1N1CC[NH+](C)CC1	ZINC000408028071	300277326	/nfs/dbraw/zinc/27/73/26/300277326.db2.gz	OBPYFYMXJNRPEW-LSDHHAIUSA-N	1	1	328.482	0.578	50	30		ECEAMO
C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069922665	435977973	/nfs/dbraw/zinc/97/79/73/435977973.db2.gz	YMNRKCYWSIQGCD-KSSFIOAISA-N	1	1	336.480	0.819	50	30		ECEAMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN(CC#N)CC#N)CC1	ZINC000069974266	435979328	/nfs/dbraw/zinc/97/93/28/435979328.db2.gz	MXVKVMBFADOAKF-UHFFFAOYSA-N	1	1	325.416	0.988	50	30		ECEAMO
C#CCOc1ccc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1	ZINC000071897744	436028266	/nfs/dbraw/zinc/02/82/66/436028266.db2.gz	SCOPCXGWHASETQ-QGZVFWFLSA-N	1	1	344.459	0.786	50	30		ECEAMO
C#CCN(C[C@H]1CCCO1)C(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C	ZINC000072287730	436040251	/nfs/dbraw/zinc/04/02/51/436040251.db2.gz	CPFBEGLLFQTOGK-HZPDHXFCSA-N	1	1	333.436	0.847	50	30		ECEAMO
CC[N@@H+]1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1	ZINC000013116152	436060050	/nfs/dbraw/zinc/06/00/50/436060050.db2.gz	SUFXTEHDBZSQRC-UHFFFAOYSA-N	1	1	331.420	0.572	50	30		ECEAMO
CC[N@H+]1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1	ZINC000013116152	436060056	/nfs/dbraw/zinc/06/00/56/436060056.db2.gz	SUFXTEHDBZSQRC-UHFFFAOYSA-N	1	1	331.420	0.572	50	30		ECEAMO
CN1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C1=O	ZINC000075131439	436152442	/nfs/dbraw/zinc/15/24/42/436152442.db2.gz	SZYQLWGGXRTSDK-QGZVFWFLSA-N	1	1	333.436	0.627	50	30		ECEAMO
CN1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059077	436189739	/nfs/dbraw/zinc/18/97/39/436189739.db2.gz	DQMQKTSNVQRIKU-BBRMVZONSA-N	1	1	330.392	0.407	50	30		ECEAMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055199	436189979	/nfs/dbraw/zinc/18/99/79/436189979.db2.gz	MEWXNCJWENCFFB-NVXWUHKLSA-N	1	1	349.479	0.233	50	30		ECEAMO
Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064390	436192301	/nfs/dbraw/zinc/19/23/01/436192301.db2.gz	NSFLQGSWGSNPMC-OAHLLOKOSA-N	1	1	340.383	0.450	50	30		ECEAMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1	ZINC000095987273	436502907	/nfs/dbraw/zinc/50/29/07/436502907.db2.gz	CLAQFBBINYNFFA-LSDHHAIUSA-N	1	1	348.472	0.771	50	30		ECEAMO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1	ZINC000229579595	436715790	/nfs/dbraw/zinc/71/57/90/436715790.db2.gz	UPZRRJULQGTIGN-MSOLQXFVSA-N	1	1	342.443	0.852	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)CC1	ZINC000252486013	436834580	/nfs/dbraw/zinc/83/45/80/436834580.db2.gz	CLPGGWUBFSEBRY-IXDOHACOSA-N	1	1	336.480	0.772	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c1	ZINC000078602884	217084296	/nfs/dbraw/zinc/08/42/96/217084296.db2.gz	IQAUNUIBHGEIPB-MRXNPFEDSA-N	1	1	329.400	0.833	50	30		ECEAMO
CC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000069973879	258063766	/nfs/dbraw/zinc/06/37/66/258063766.db2.gz	PHHDDAOMFATXKY-OAHLLOKOSA-N	1	1	347.415	0.861	50	30		ECEAMO
C=CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CC(=C)C)c(=O)n1C	ZINC000010335949	273485868	/nfs/dbraw/zinc/48/58/68/273485868.db2.gz	DSGZPOMGIDPEIJ-UHFFFAOYSA-N	1	1	328.376	0.855	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O	ZINC000010387075	273487403	/nfs/dbraw/zinc/48/74/03/273487403.db2.gz	CZTAATWIGNTTGS-LLVKDONJSA-N	1	1	346.391	0.486	50	30		ECEAMO
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1N1CC[NH+](C)CC1	ZINC000408028069	297040409	/nfs/dbraw/zinc/04/04/09/297040409.db2.gz	OBPYFYMXJNRPEW-HUUCEWRRSA-N	1	1	328.482	0.578	50	30		ECEAMO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CCN(C)CC2)CC1	ZINC000072270221	436040324	/nfs/dbraw/zinc/04/03/24/436040324.db2.gz	ZZMRGRUUTJLPMG-MRXNPFEDSA-N	1	1	337.512	0.962	50	30		ECEAMO
C[N@H+]1CCN2C[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000067846652	436725898	/nfs/dbraw/zinc/72/58/98/436725898.db2.gz	OLMLDIHARBQRBC-KBPBESRZSA-N	1	1	331.416	0.520	50	30		ECEAMO
CN1CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000067846652	436725900	/nfs/dbraw/zinc/72/59/00/436725900.db2.gz	OLMLDIHARBQRBC-KBPBESRZSA-N	1	1	331.416	0.520	50	30		ECEAMO
CN1CC[N@H+]2C[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000067846652	436725904	/nfs/dbraw/zinc/72/59/04/436725904.db2.gz	OLMLDIHARBQRBC-KBPBESRZSA-N	1	1	331.416	0.520	50	30		ECEAMO
COc1cccc(NN=C(C(N)=S)C(=O)N2CC[NH+](C)CC2)c1	ZINC000254841128	436849177	/nfs/dbraw/zinc/84/91/77/436849177.db2.gz	NJHYALDOEJTFSF-UHFFFAOYSA-N	1	1	335.433	0.523	50	30		ECEAMO
COCCC[N@H+]1CC[C@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1	ZINC000067489505	215153711	/nfs/dbraw/zinc/15/37/11/215153711.db2.gz	LTDMOOZGPBDIGT-ZDUSSCGKSA-N	1	1	342.399	0.920	50	30		ECEAMO
C#CCN1CCC([N@H+]2CCC[C@@H](CNC(=O)c3cnon3)C2)CC1	ZINC000067673669	215179460	/nfs/dbraw/zinc/17/94/60/215179460.db2.gz	XVQSSGRUQSMPFF-AWEZNQCLSA-N	1	1	331.420	0.609	50	30		ECEAMO
N#Cc1nncn1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000054746978	436557976	/nfs/dbraw/zinc/55/79/76/436557976.db2.gz	LZIIXFZWUIPYJB-UHFFFAOYSA-N	1	1	332.408	0.301	50	30		ECEAMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1	ZINC000110705711	436628075	/nfs/dbraw/zinc/62/80/75/436628075.db2.gz	MBZVZEQGMPFCBX-GVDBMIGSSA-N	1	1	336.480	0.914	50	30		ECEAMO
C[C@H](C(=O)N1CCOCC1)[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1	ZINC000065512562	436665123	/nfs/dbraw/zinc/66/51/23/436665123.db2.gz	UCPDMSKQBCJBPZ-GDBMZVCRSA-N	1	1	343.431	0.934	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000069456356	436773730	/nfs/dbraw/zinc/77/37/30/436773730.db2.gz	IZTGULYCSNXOAW-CABCVRRESA-N	1	1	345.399	0.925	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000069456353	436774199	/nfs/dbraw/zinc/77/41/99/436774199.db2.gz	IZTGULYCSNXOAW-HUUCEWRRSA-N	1	1	345.399	0.925	50	30		ECEAMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cnccn3)CC2)cc1	ZINC000036822117	132393263	/nfs/dbraw/zinc/39/32/63/132393263.db2.gz	OYLFVLPDFACCTE-MRXNPFEDSA-N	1	1	339.399	0.910	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOCC)n(C)c1=O	ZINC000008706281	436030525	/nfs/dbraw/zinc/03/05/25/436030525.db2.gz	SSBPERPBMJKCGS-UHFFFAOYSA-N	1	1	346.391	0.315	50	30		ECEAMO
N#Cc1ccc(NC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)nc1	ZINC000097200716	436541657	/nfs/dbraw/zinc/54/16/57/436541657.db2.gz	IYQGDFDCHXXNJE-CQSZACIVSA-N	1	1	342.403	0.629	50	30		ECEAMO
C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C	ZINC000225589930	436711458	/nfs/dbraw/zinc/71/14/58/436711458.db2.gz	RPKLHDPVGIUPLO-MRXNPFEDSA-N	1	1	344.463	0.946	50	30		ECEAMO
N#Cc1cccnc1NC[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1	ZINC000065474165	436663574	/nfs/dbraw/zinc/66/35/74/436663574.db2.gz	WNFGTZIXIXARIP-OAHLLOKOSA-N	1	1	343.431	0.936	50	30		ECEAMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1	ZINC000257366324	436878030	/nfs/dbraw/zinc/87/80/30/436878030.db2.gz	RUGSNVCDMIQJJG-YQQAZPJKSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000257366324	436878033	/nfs/dbraw/zinc/87/80/33/436878033.db2.gz	RUGSNVCDMIQJJG-YQQAZPJKSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000257366324	436878037	/nfs/dbraw/zinc/87/80/37/436878037.db2.gz	RUGSNVCDMIQJJG-YQQAZPJKSA-N	1	1	336.480	0.552	50	30		ECEAMO
N#Cc1ncn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1	ZINC000040485964	213316507	/nfs/dbraw/zinc/31/65/07/213316507.db2.gz	BQBPRNQXQDUJLS-UHFFFAOYSA-N	1	1	332.408	0.301	50	30		ECEAMO
C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC000330195063	279111526	/nfs/dbraw/zinc/11/15/26/279111526.db2.gz	BJXGKUKOVXBWCT-MGPQQGTHSA-N	1	1	347.481	0.255	50	30		ECEAMO
Cn1c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000014166617	436069712	/nfs/dbraw/zinc/06/97/12/436069712.db2.gz	FXBKDXQQZDDIIL-AWEZNQCLSA-N	1	1	339.399	0.642	50	30		ECEAMO
CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382672	436410049	/nfs/dbraw/zinc/41/00/49/436410049.db2.gz	KSMIZPSSBNARTM-SFHVURJKSA-N	1	1	344.459	0.288	50	30		ECEAMO
COc1ccc(CC[NH+]2CCN(CC(=O)NCCC#N)CC2)cc1	ZINC000058365391	436624975	/nfs/dbraw/zinc/62/49/75/436624975.db2.gz	VLUAHLWMKPQUEK-UHFFFAOYSA-N	1	1	330.432	0.885	50	30		ECEAMO
C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C	ZINC000225589902	436711796	/nfs/dbraw/zinc/71/17/96/436711796.db2.gz	RPKLHDPVGIUPLO-INIZCTEOSA-N	1	1	344.463	0.946	50	30		ECEAMO
N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689355	215186543	/nfs/dbraw/zinc/18/65/43/215186543.db2.gz	TVKVSHPKAZWGPO-ZDUSSCGKSA-N	1	1	339.399	0.762	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000069917714	215628897	/nfs/dbraw/zinc/62/88/97/215628897.db2.gz	XQUJBFMLQKWEBQ-UHFFFAOYSA-N	1	1	347.415	0.861	50	30		ECEAMO
O=C([C@@H]1C[N@H+](Cc2ccc(C#CCCO)cc2)CCN1)N1CCCC1	ZINC000072145155	216032214	/nfs/dbraw/zinc/03/22/14/216032214.db2.gz	TWFCBIOKAFJULP-IBGZPJMESA-N	1	1	341.455	0.817	50	30		ECEAMO
O=C([C@@H]1C[N@@H+](Cc2ccc(C#CCCO)cc2)CCN1)N1CCCC1	ZINC000072145155	216032218	/nfs/dbraw/zinc/03/22/18/216032218.db2.gz	TWFCBIOKAFJULP-IBGZPJMESA-N	1	1	341.455	0.817	50	30		ECEAMO
C#CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1	ZINC000078912478	217146384	/nfs/dbraw/zinc/14/63/84/217146384.db2.gz	VCHDKJLRBOTSBQ-HNNXBMFYSA-N	1	1	345.447	0.764	50	30		ECEAMO
C#CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1	ZINC000078912478	217146387	/nfs/dbraw/zinc/14/63/87/217146387.db2.gz	VCHDKJLRBOTSBQ-HNNXBMFYSA-N	1	1	345.447	0.764	50	30		ECEAMO
Cn1c(N2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000028707146	436192300	/nfs/dbraw/zinc/19/23/00/436192300.db2.gz	MOJPJVNMBVZISL-UHFFFAOYSA-N	1	1	339.399	0.278	50	30		ECEAMO
N#Cc1ccc(NC[C@@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)nc1	ZINC000065476519	436662790	/nfs/dbraw/zinc/66/27/90/436662790.db2.gz	AEZVEHDWBLNQQX-INIZCTEOSA-N	1	1	343.431	0.936	50	30		ECEAMO
C=CC[S@@](=O)C[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000138760660	436663677	/nfs/dbraw/zinc/66/36/77/436663677.db2.gz	LWKOLMADZLFMAF-OCGLXOCMSA-N	1	1	336.457	0.563	50	30		ECEAMO
N#Cc1cccnc1NC[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1	ZINC000065496889	436665161	/nfs/dbraw/zinc/66/51/61/436665161.db2.gz	CPWJHEYAWMCSGG-CQSZACIVSA-N	1	1	329.404	0.546	50	30		ECEAMO
Cn1c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000014267261	290056725	/nfs/dbraw/zinc/05/67/25/290056725.db2.gz	ZDHYVTSGDLPPHB-OAHLLOKOSA-N	1	1	339.399	0.449	50	30		ECEAMO
Cn1c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000014267261	290056728	/nfs/dbraw/zinc/05/67/28/290056728.db2.gz	ZDHYVTSGDLPPHB-OAHLLOKOSA-N	1	1	339.399	0.449	50	30		ECEAMO
C=C(C)C[NH+]1CCN(C(=S)NCCCN2CCOCC2)CC1	ZINC000013692079	436065248	/nfs/dbraw/zinc/06/52/48/436065248.db2.gz	IGDNAAUEHDQVFY-UHFFFAOYSA-N	1	1	326.510	0.777	50	30		ECEAMO
C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc(C#N)nc1)CC2	ZINC000221320743	436701442	/nfs/dbraw/zinc/70/14/42/436701442.db2.gz	DMOKQZVKAJXMLW-UHFFFAOYSA-N	1	1	327.388	0.380	50	30		ECEAMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000257366299	436876063	/nfs/dbraw/zinc/87/60/63/436876063.db2.gz	QXDRPGMGVFCKLY-DYVFJYSZSA-N	1	1	336.436	0.721	50	30		ECEAMO
CNC(=O)[C@@H]1C[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1	ZINC000328596995	437237133	/nfs/dbraw/zinc/23/71/33/437237133.db2.gz	CGXGKRZVVOIJNQ-BLLLJJGKSA-N	1	1	345.440	0.891	50	30		ECEAMO
CNC(=O)[C@@H]1C[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1	ZINC000328596995	437237137	/nfs/dbraw/zinc/23/71/37/437237137.db2.gz	CGXGKRZVVOIJNQ-BLLLJJGKSA-N	1	1	345.440	0.891	50	30		ECEAMO
N#Cc1ccc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)cc1	ZINC000426552253	438065782	/nfs/dbraw/zinc/06/57/82/438065782.db2.gz	FWCQPBNBPMRWDY-OAHLLOKOSA-N	1	1	339.399	0.712	50	30		ECEAMO
COCCC[N@H+]1CC[C@@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1	ZINC000067489507	215153770	/nfs/dbraw/zinc/15/37/70/215153770.db2.gz	LTDMOOZGPBDIGT-CYBMUJFWSA-N	1	1	342.399	0.920	50	30		ECEAMO
CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CC[NH+](CCO)CC1	ZINC000069655536	435955046	/nfs/dbraw/zinc/95/50/46/435955046.db2.gz	QOKDEVBVUJRQIB-UHFFFAOYSA-N	1	1	348.422	0.656	50	30		ECEAMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1	ZINC000071881937	436023443	/nfs/dbraw/zinc/02/34/43/436023443.db2.gz	JSFUSNJXNDMGHV-QGZVFWFLSA-N	1	1	331.416	0.908	50	30		ECEAMO
C#CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1cnn(C)c1)[NH+](C)C	ZINC000072287729	436039626	/nfs/dbraw/zinc/03/96/26/436039626.db2.gz	CPFBEGLLFQTOGK-HOTGVXAUSA-N	1	1	333.436	0.847	50	30		ECEAMO
COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000076969704	436220743	/nfs/dbraw/zinc/22/07/43/436220743.db2.gz	QMDWYDXJNLGXCI-CQSZACIVSA-N	1	1	344.415	0.748	50	30		ECEAMO
COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000076969704	436220749	/nfs/dbraw/zinc/22/07/49/436220749.db2.gz	QMDWYDXJNLGXCI-CQSZACIVSA-N	1	1	344.415	0.748	50	30		ECEAMO
C=CC[C@]1(CO)CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C1	ZINC000091943091	436465183	/nfs/dbraw/zinc/46/51/83/436465183.db2.gz	OZVCUWWYPGLCTO-SFHVURJKSA-N	1	1	346.479	0.966	50	30		ECEAMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1	ZINC000105799621	436578780	/nfs/dbraw/zinc/57/87/80/436578780.db2.gz	MBVVGUAISKLRRK-CYBMUJFWSA-N	1	1	332.408	0.389	50	30		ECEAMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cccnn2)CC1	ZINC000105799621	436578782	/nfs/dbraw/zinc/57/87/82/436578782.db2.gz	MBVVGUAISKLRRK-CYBMUJFWSA-N	1	1	332.408	0.389	50	30		ECEAMO
C[C@@H](C(=O)N1CCOCC1)[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1	ZINC000065512560	436665098	/nfs/dbraw/zinc/66/50/98/436665098.db2.gz	UCPDMSKQBCJBPZ-GOEBONIOSA-N	1	1	343.431	0.934	50	30		ECEAMO
N#Cc1ccc(NC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)nc1	ZINC000065513158	436665357	/nfs/dbraw/zinc/66/53/57/436665357.db2.gz	SCGJQDHXAUMCLO-OAHLLOKOSA-N	1	1	329.404	0.546	50	30		ECEAMO
COc1ccc(NN=C(C(N)=S)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000263627256	436971065	/nfs/dbraw/zinc/97/10/65/436971065.db2.gz	OURCYZVGFXEIEC-UHFFFAOYSA-N	1	1	335.433	0.523	50	30		ECEAMO
COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000330181444	437464827	/nfs/dbraw/zinc/46/48/27/437464827.db2.gz	OBUZQLGZAUZDJO-YHUYYLMFSA-N	1	1	341.452	0.889	50	30		ECEAMO
C#CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1	ZINC000078912483	217146727	/nfs/dbraw/zinc/14/67/27/217146727.db2.gz	VCHDKJLRBOTSBQ-OAHLLOKOSA-N	1	1	345.447	0.764	50	30		ECEAMO
C#CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1	ZINC000078912483	217146730	/nfs/dbraw/zinc/14/67/30/217146730.db2.gz	VCHDKJLRBOTSBQ-OAHLLOKOSA-N	1	1	345.447	0.764	50	30		ECEAMO
C[N@H+]1CCN(c2ncccc2C#N)C[C@@]12CCC(=O)N(CCO)CC2	ZINC000091621272	218032964	/nfs/dbraw/zinc/03/29/64/218032964.db2.gz	FGKILAMKMUKEFH-SFHVURJKSA-N	1	1	343.431	0.449	50	30		ECEAMO
N#Cc1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cn1	ZINC000091625068	218034639	/nfs/dbraw/zinc/03/46/39/218034639.db2.gz	FEDBYZSJSPMFME-HUUCEWRRSA-N	1	1	344.415	0.356	50	30		ECEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCCO)n(C)c1=O	ZINC000009059809	211035934	/nfs/dbraw/zinc/03/59/34/211035934.db2.gz	AOAHXANIIBOYCH-UHFFFAOYSA-N	1	1	346.391	0.051	50	30		ECEAMO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)N(CC#N)CC#N)C2)n1	ZINC000069847591	435970490	/nfs/dbraw/zinc/97/04/90/435970490.db2.gz	GBMAQGPYOFCREM-MRXNPFEDSA-N	1	1	343.435	0.873	50	30		ECEAMO
N#Cc1ccc(OC2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1	ZINC000069596692	435950453	/nfs/dbraw/zinc/95/04/53/435950453.db2.gz	HSMKICVYYOBZPZ-UHFFFAOYSA-N	1	1	328.372	0.953	50	30		ECEAMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300781	436042228	/nfs/dbraw/zinc/04/22/28/436042228.db2.gz	JSVODDWEWCWCMJ-SUMWQHHRSA-N	1	1	334.420	0.497	50	30		ECEAMO
CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000024676866	436137939	/nfs/dbraw/zinc/13/79/39/436137939.db2.gz	RURNMDBUPMYLOT-UHFFFAOYSA-N	1	1	349.479	0.425	50	30		ECEAMO
CN(C)C(=O)C[N@H+]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000024676866	436137947	/nfs/dbraw/zinc/13/79/47/436137947.db2.gz	RURNMDBUPMYLOT-UHFFFAOYSA-N	1	1	349.479	0.425	50	30		ECEAMO
C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccccc3C#N)C[C@@H]2CO)CC1	ZINC000092061875	436467779	/nfs/dbraw/zinc/46/77/79/436467779.db2.gz	CSLVHKAKMHAHTD-IAGOWNOFSA-N	1	1	342.443	0.486	50	30		ECEAMO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1	ZINC000229306151	436715128	/nfs/dbraw/zinc/71/51/28/436715128.db2.gz	MEWXNCJWENCFFB-RDJZCZTQSA-N	1	1	349.479	0.233	50	30		ECEAMO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000253397015	436841557	/nfs/dbraw/zinc/84/15/57/436841557.db2.gz	BYRWWYJJEPCWSC-HUUCEWRRSA-N	1	1	344.481	0.509	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)c1	ZINC000096410777	518361057	/nfs/dbraw/zinc/36/10/57/518361057.db2.gz	KAGJYPILSCDWTL-INIZCTEOSA-N	1	1	339.399	0.759	50	30		ECEAMO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CNC(=O)O3)C2)cc1	ZINC000888093643	586349254	/nfs/dbraw/zinc/34/92/54/586349254.db2.gz	AJLUWNGMZKSTFA-GOEBONIOSA-N	1	1	343.383	0.611	50	30		ECEAMO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CNC(=O)O3)C2)cc1	ZINC000888093643	586349257	/nfs/dbraw/zinc/34/92/57/586349257.db2.gz	AJLUWNGMZKSTFA-GOEBONIOSA-N	1	1	343.383	0.611	50	30		ECEAMO
C[N@@H+]1CCCNC(=O)C12CCN(Cc1cc(C#CCO)cs1)CC2	ZINC000067674676	215178431	/nfs/dbraw/zinc/17/84/31/215178431.db2.gz	VDNRFPVOVQTPPG-UHFFFAOYSA-N	1	1	347.484	0.878	50	30		ECEAMO
C[N@H+]1CCCNC(=O)C12CCN(Cc1cc(C#CCO)cs1)CC2	ZINC000067674676	215178434	/nfs/dbraw/zinc/17/84/34/215178434.db2.gz	VDNRFPVOVQTPPG-UHFFFAOYSA-N	1	1	347.484	0.878	50	30		ECEAMO
C=CC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712802	215191701	/nfs/dbraw/zinc/19/17/01/215191701.db2.gz	NSZDWFONUPDNEI-CQSZACIVSA-N	1	1	333.436	0.948	50	30		ECEAMO
CCc1nc(CN(C)[C@@H]2CC[N@@H+](CCn3cc(C#N)cn3)C2)no1	ZINC000078891423	217140256	/nfs/dbraw/zinc/14/02/56/217140256.db2.gz	SPJLXSHEBAPNRY-CQSZACIVSA-N	1	1	329.408	0.906	50	30		ECEAMO
N#Cc1cccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000091695132	218050560	/nfs/dbraw/zinc/05/05/60/218050560.db2.gz	UWTTZGLLDVORMM-IAGOWNOFSA-N	1	1	343.427	0.961	50	30		ECEAMO
C=CCN1C[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1=O	ZINC000065417294	258011648	/nfs/dbraw/zinc/01/16/48/258011648.db2.gz	CFBGFUKAPQNBQL-KRWDZBQOSA-N	1	1	342.443	0.803	50	30		ECEAMO
CCOc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@@H](C)O)CC1	ZINC000069979059	435980038	/nfs/dbraw/zinc/98/00/38/435980038.db2.gz	WABOPVIQVJKYPJ-CQSZACIVSA-N	1	1	347.415	0.861	50	30		ECEAMO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1	ZINC000072270220	436038646	/nfs/dbraw/zinc/03/86/46/436038646.db2.gz	ZZMRGRUUTJLPMG-INIZCTEOSA-N	1	1	337.512	0.962	50	30		ECEAMO
C[C@@H]1C[NH+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1	ZINC000012863492	436057549	/nfs/dbraw/zinc/05/75/49/436057549.db2.gz	BZSSPMBZEXKCOJ-VXGBXAGGSA-N	1	1	349.435	0.255	50	30		ECEAMO
CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000048364023	436450843	/nfs/dbraw/zinc/45/08/43/436450843.db2.gz	DWPDIXUJGDGCAG-ZDUSSCGKSA-N	1	1	329.404	0.914	50	30		ECEAMO
CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000048364023	436450845	/nfs/dbraw/zinc/45/08/45/436450845.db2.gz	DWPDIXUJGDGCAG-ZDUSSCGKSA-N	1	1	329.404	0.914	50	30		ECEAMO
COc1nccc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000107700654	436614919	/nfs/dbraw/zinc/61/49/19/436614919.db2.gz	TYXLUWRRZACZPG-QGZVFWFLSA-N	1	1	329.404	0.753	50	30		ECEAMO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1	ZINC000242178794	436759861	/nfs/dbraw/zinc/75/98/61/436759861.db2.gz	XAYRVNXDDXSRCL-CHWSQXEVSA-N	1	1	325.438	0.936	50	30		ECEAMO
CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H]2C)CC1	ZINC000257365947	436876098	/nfs/dbraw/zinc/87/60/98/436876098.db2.gz	CXULPGMLPOFHBV-HLLBOEOZSA-N	1	1	349.479	0.231	50	30		ECEAMO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1	ZINC000328650845	437247481	/nfs/dbraw/zinc/24/74/81/437247481.db2.gz	BEGYFNPTSZEPGE-OLZOCXBDSA-N	1	1	333.454	0.130	50	30		ECEAMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1	ZINC000328650845	437247484	/nfs/dbraw/zinc/24/74/84/437247484.db2.gz	BEGYFNPTSZEPGE-OLZOCXBDSA-N	1	1	333.454	0.130	50	30		ECEAMO
N#Cc1cc2c(ccn(CCC[N@@H+]3CCCC[C@H]3CO)c2=O)[nH]c1=O	ZINC000067843360	609767430	/nfs/dbraw/zinc/76/74/30/609767430.db2.gz	PCKPWKIVRCMGBB-AWEZNQCLSA-N	1	1	342.399	0.798	50	30		ECEAMO
O=C1Nc2ccccc2/C1=N\NC(=S)NCCC[NH+]1CCOCC1	ZINC000025357035	741632214	/nfs/dbraw/zinc/63/22/14/741632214.db2.gz	HOLYNCVDEKTRHW-UHFFFAOYSA-N	1	1	347.444	0.529	50	30		ECEAMO
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)CC1	ZINC000072162829	216052362	/nfs/dbraw/zinc/05/23/62/216052362.db2.gz	IGZBQTAYVQRTGR-QGZVFWFLSA-N	1	1	332.404	0.474	50	30		ECEAMO
CC(C)C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+]1CCOCC1	ZINC000022535232	212306219	/nfs/dbraw/zinc/30/62/19/212306219.db2.gz	OUCQETRVPAPQDM-CYBMUJFWSA-N	1	1	349.435	0.114	50	30		ECEAMO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cn1	ZINC000243901445	243032904	/nfs/dbraw/zinc/03/29/04/243032904.db2.gz	BBMYEQCSJBWEKZ-IAGOWNOFSA-N	1	1	337.383	0.713	50	30		ECEAMO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cn1	ZINC000243901445	243032909	/nfs/dbraw/zinc/03/29/09/243032909.db2.gz	BBMYEQCSJBWEKZ-IAGOWNOFSA-N	1	1	337.383	0.713	50	30		ECEAMO
Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3c[nH]c(C#N)c3)C[C@H]2O)no1	ZINC000299801100	258104475	/nfs/dbraw/zinc/10/44/75/258104475.db2.gz	VVSPIWFPMKLBNX-UKRRQHHQSA-N	1	1	329.360	0.548	50	30		ECEAMO
Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3c[nH]c(C#N)c3)C[C@H]2O)no1	ZINC000299801100	258104476	/nfs/dbraw/zinc/10/44/76/258104476.db2.gz	VVSPIWFPMKLBNX-UKRRQHHQSA-N	1	1	329.360	0.548	50	30		ECEAMO
C[C@H]1C[NH+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1	ZINC000012863521	436057752	/nfs/dbraw/zinc/05/77/52/436057752.db2.gz	BZSSPMBZEXKCOJ-RYUDHWBXSA-N	1	1	349.435	0.255	50	30		ECEAMO
Cn1c(=O)c(C#N)c(N2CC[NH+](Cc3cccs3)CC2)n(C)c1=O	ZINC000014139066	436067880	/nfs/dbraw/zinc/06/78/80/436067880.db2.gz	ISJQZQMPFOCROO-UHFFFAOYSA-N	1	1	345.428	0.339	50	30		ECEAMO
CN1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059070	436189627	/nfs/dbraw/zinc/18/96/27/436189627.db2.gz	DQMQKTSNVQRIKU-CJNGLKHVSA-N	1	1	330.392	0.407	50	30		ECEAMO
CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000048364026	436450671	/nfs/dbraw/zinc/45/06/71/436450671.db2.gz	DWPDIXUJGDGCAG-CYBMUJFWSA-N	1	1	329.404	0.914	50	30		ECEAMO
CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000048364026	436450674	/nfs/dbraw/zinc/45/06/74/436450674.db2.gz	DWPDIXUJGDGCAG-CYBMUJFWSA-N	1	1	329.404	0.914	50	30		ECEAMO
N#Cc1ccc(NC[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)nc1	ZINC000097200715	436541053	/nfs/dbraw/zinc/54/10/53/436541053.db2.gz	IYQGDFDCHXXNJE-AWEZNQCLSA-N	1	1	342.403	0.629	50	30		ECEAMO
N#Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)CC2)cc1	ZINC000065548437	436666381	/nfs/dbraw/zinc/66/63/81/436666381.db2.gz	NKEQCOOAHPSOSR-UHFFFAOYSA-N	1	1	341.415	0.029	50	30		ECEAMO
N#Cc1ccc(N2CCC[N@H+](CC(=O)N3CCNC(=O)C3)CC2)cc1	ZINC000065548437	436666384	/nfs/dbraw/zinc/66/63/84/436666384.db2.gz	NKEQCOOAHPSOSR-UHFFFAOYSA-N	1	1	341.415	0.029	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](C)(CO)C2)CC1	ZINC000253370056	436839152	/nfs/dbraw/zinc/83/91/52/436839152.db2.gz	LMMCGHNVDCBIOO-WMZOPIPTSA-N	1	1	336.480	0.773	50	30		ECEAMO
Cc1noc([C@]23CN(c4ncncc4C#N)C[C@H]2C[N@@H+](C)CC3)n1	ZINC000685940861	549727155	/nfs/dbraw/zinc/72/71/55/549727155.db2.gz	XQTNTPKWKQRKAE-CZUORRHYSA-N	1	1	325.376	0.749	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCOC)C2)c1	ZINC000078602883	217083654	/nfs/dbraw/zinc/08/36/54/217083654.db2.gz	IQAUNUIBHGEIPB-INIZCTEOSA-N	1	1	329.400	0.833	50	30		ECEAMO
COc1nccc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c1C#N	ZINC000092065432	218113174	/nfs/dbraw/zinc/11/31/74/218113174.db2.gz	TYXLUWRRZACZPG-KRWDZBQOSA-N	1	1	329.404	0.753	50	30		ECEAMO
C=CCN1[NH+]=C(C)Cn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O	ZINC000010332953	273485695	/nfs/dbraw/zinc/48/56/95/273485695.db2.gz	ZAVVZDZUJGIOOT-UHFFFAOYSA-N	1	1	330.392	0.935	50	30		ECEAMO
Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000076064389	436192507	/nfs/dbraw/zinc/19/25/07/436192507.db2.gz	NSFLQGSWGSNPMC-HNNXBMFYSA-N	1	1	340.383	0.450	50	30		ECEAMO
Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1C#N	ZINC000077356177	436232769	/nfs/dbraw/zinc/23/27/69/436232769.db2.gz	UBGAGMAIBDVJJC-IAGOWNOFSA-N	1	1	339.399	0.657	50	30		ECEAMO
Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1C#N	ZINC000077356177	436232777	/nfs/dbraw/zinc/23/27/77/436232777.db2.gz	UBGAGMAIBDVJJC-IAGOWNOFSA-N	1	1	339.399	0.657	50	30		ECEAMO
COCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602759	436273335	/nfs/dbraw/zinc/27/33/35/436273335.db2.gz	IESOZFCSJOZLTH-MRXNPFEDSA-N	1	1	344.415	0.918	50	30		ECEAMO
COC(=O)[C@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000089396127	436409810	/nfs/dbraw/zinc/40/98/10/436409810.db2.gz	NDXABRCDCRFXEO-OAHLLOKOSA-N	1	1	337.420	0.575	50	30		ECEAMO
N#Cc1cccnc1NC[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1	ZINC000065474163	436662747	/nfs/dbraw/zinc/66/27/47/436662747.db2.gz	WNFGTZIXIXARIP-HNNXBMFYSA-N	1	1	343.431	0.936	50	30		ECEAMO
CON=CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000606445832	439409206	/nfs/dbraw/zinc/40/92/06/439409206.db2.gz	UFIGXKSJYJSISF-UHFFFAOYSA-N	1	1	346.387	0.305	50	30		ECEAMO
C[C@](O)(C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846191	439710694	/nfs/dbraw/zinc/71/06/94/439710694.db2.gz	NDTNBXGWCDNRCS-WMZOPIPTSA-N	1	1	330.432	0.987	50	30		ECEAMO
CNC(=O)C1CC[NH+](CC(=O)N(CCC#N)Cc2ccco2)CC1	ZINC000040479407	258059649	/nfs/dbraw/zinc/05/96/49/258059649.db2.gz	NQCBHVDQEPBAFH-UHFFFAOYSA-N	1	1	332.404	0.980	50	30		ECEAMO
CN(CCC#N)C(=O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000071871639	436022431	/nfs/dbraw/zinc/02/24/31/436022431.db2.gz	FRNSCCIGLSERJB-UHFFFAOYSA-N	1	1	346.435	0.827	50	30		ECEAMO
CN(CCC#N)C(=O)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000071871639	436022441	/nfs/dbraw/zinc/02/24/41/436022441.db2.gz	FRNSCCIGLSERJB-UHFFFAOYSA-N	1	1	346.435	0.827	50	30		ECEAMO
c1ccc2oc(NC3=NCN(CCC[NH+]4CCOCC4)CN3)nc2c1	ZINC000019324578	436108309	/nfs/dbraw/zinc/10/83/09/436108309.db2.gz	VCOUGHWGOWMWNV-UHFFFAOYSA-N	1	1	344.419	0.947	50	30		ECEAMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	ZINC000095986318	436503593	/nfs/dbraw/zinc/50/35/93/436503593.db2.gz	ZBPJXEYCWRRUSE-HNNXBMFYSA-N	1	1	348.472	0.914	50	30		ECEAMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1	ZINC000105799617	436577976	/nfs/dbraw/zinc/57/79/76/436577976.db2.gz	MBVVGUAISKLRRK-ZDUSSCGKSA-N	1	1	332.408	0.389	50	30		ECEAMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1	ZINC000105799617	436577980	/nfs/dbraw/zinc/57/79/80/436577980.db2.gz	MBVVGUAISKLRRK-ZDUSSCGKSA-N	1	1	332.408	0.389	50	30		ECEAMO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000097230964	436541405	/nfs/dbraw/zinc/54/14/05/436541405.db2.gz	YYOIKQBRHFRSLR-SJORKVTESA-N	1	1	346.406	0.601	50	30		ECEAMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000253421613	436842942	/nfs/dbraw/zinc/84/29/42/436842942.db2.gz	YWBKMMYWBUXIRI-OWCLPIDISA-N	1	1	335.448	0.733	50	30		ECEAMO
CC[NH+]=C(NCCCN1CCOCC1)NCCN1CCCCC1	ZINC000072271905	436038760	/nfs/dbraw/zinc/03/87/60/436038760.db2.gz	ZOUUQWYGZJTNEN-UHFFFAOYSA-N	1	1	325.501	0.750	50	30		ECEAMO
CNS(=O)(=O)CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000088523709	436401690	/nfs/dbraw/zinc/40/16/90/436401690.db2.gz	VCUPMWFAMCGXHQ-MRXNPFEDSA-N	1	1	336.461	0.808	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1	ZINC000096418149	436532147	/nfs/dbraw/zinc/53/21/47/436532147.db2.gz	UZXAAIKSYRXBQA-HNNXBMFYSA-N	1	1	342.443	0.606	50	30		ECEAMO
CN(C[C@@H](O)C[NH+]1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452874	436532983	/nfs/dbraw/zinc/53/29/83/436532983.db2.gz	MWJKIUCIHKGPBH-OAHLLOKOSA-N	1	1	333.392	0.511	50	30		ECEAMO
CCC[NH+]=C(NCCCOC)[C@H](C#N)c1nc(N)nc(N(C)C)n1	ZINC000225503371	436712138	/nfs/dbraw/zinc/71/21/38/436712138.db2.gz	PAYDVMGTQIKTLN-NSHDSACASA-N	1	1	334.428	0.562	50	30		ECEAMO
CC(=O)c1ccc(NN=C(C(N)=S)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000254743000	436850429	/nfs/dbraw/zinc/85/04/29/436850429.db2.gz	GQHNIHTZCOBMNV-UHFFFAOYSA-N	1	1	347.444	0.717	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCCS2(=O)=O)[N@H+](C)C1	ZINC000329045858	437306582	/nfs/dbraw/zinc/30/65/82/437306582.db2.gz	JLYHDFFLOBUXCX-IHRRRGAJSA-N	1	1	347.481	0.519	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCCS2(=O)=O)[N@@H+](C)C1	ZINC000329045858	437306584	/nfs/dbraw/zinc/30/65/84/437306584.db2.gz	JLYHDFFLOBUXCX-IHRRRGAJSA-N	1	1	347.481	0.519	50	30		ECEAMO
N#Cc1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1	ZINC000091444813	218007135	/nfs/dbraw/zinc/00/71/35/218007135.db2.gz	UQDUMKNVUMURFE-HZPDHXFCSA-N	1	1	329.400	0.571	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3C/C=C/C)n(C)c1=O	ZINC000010387061	211169577	/nfs/dbraw/zinc/16/95/77/211169577.db2.gz	NRQFBVFWKNKWPP-FNORWQNLSA-N	1	1	328.376	0.855	50	30		ECEAMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cnccn3)CC2)cc1	ZINC000036822120	132392904	/nfs/dbraw/zinc/39/29/04/132392904.db2.gz	OYLFVLPDFACCTE-INIZCTEOSA-N	1	1	339.399	0.910	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1	ZINC000252586952	280134664	/nfs/dbraw/zinc/13/46/64/280134664.db2.gz	URDBBOCUWCTXQY-SQNIBIBYSA-N	1	1	347.507	0.847	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=[NH+]N3C)n(C)c1=O	ZINC000010335607	436039696	/nfs/dbraw/zinc/03/96/96/436039696.db2.gz	LQZMBFOGJDCMHA-UHFFFAOYSA-N	1	1	330.392	0.935	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000077613504	436245805	/nfs/dbraw/zinc/24/58/05/436245805.db2.gz	MXBILIVXYANRLF-FUHWJXTLSA-N	1	1	340.427	0.769	50	30		ECEAMO
C#CCOC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(C)o1	ZINC000036097503	436256604	/nfs/dbraw/zinc/25/66/04/436256604.db2.gz	SGDFAFOASAEXHQ-KRWDZBQOSA-N	1	1	336.432	0.733	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1	ZINC000091577565	436453990	/nfs/dbraw/zinc/45/39/90/436453990.db2.gz	URDBBOCUWCTXQY-KSZLIROESA-N	1	1	347.507	0.847	50	30		ECEAMO
C[N@H+]1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1	ZINC000068604556	436751050	/nfs/dbraw/zinc/75/10/50/436751050.db2.gz	QVGPHFNULFRXPE-UHFFFAOYSA-N	1	1	331.468	0.189	50	30		ECEAMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1	ZINC000257366323	436877658	/nfs/dbraw/zinc/87/76/58/436877658.db2.gz	RUGSNVCDMIQJJG-HLLBOEOZSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000257366323	436877664	/nfs/dbraw/zinc/87/76/64/436877664.db2.gz	RUGSNVCDMIQJJG-HLLBOEOZSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000257366323	436877668	/nfs/dbraw/zinc/87/76/68/436877668.db2.gz	RUGSNVCDMIQJJG-HLLBOEOZSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(S(=O)(=O)NC)nc1	ZINC000576099542	438767718	/nfs/dbraw/zinc/76/77/18/438767718.db2.gz	ADZRDMAEYKWZOL-UHFFFAOYSA-N	1	1	340.449	0.570	50	30		ECEAMO
C=CCN1C[C@@H](C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)CC1=O	ZINC000067947653	215255694	/nfs/dbraw/zinc/25/56/94/215255694.db2.gz	RPCLOCCQTMYFRI-INIZCTEOSA-N	1	1	348.491	0.649	50	30		ECEAMO
C=CCN1C[C@@H](C(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)CC1=O	ZINC000067947653	215255697	/nfs/dbraw/zinc/25/56/97/215255697.db2.gz	RPCLOCCQTMYFRI-INIZCTEOSA-N	1	1	348.491	0.649	50	30		ECEAMO
CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000069878214	215617012	/nfs/dbraw/zinc/61/70/12/215617012.db2.gz	DXGALLIXUHTXFG-QGZVFWFLSA-N	1	1	331.416	0.642	50	30		ECEAMO
C=CCN1CC[C@]2(CN(Cc3ncnn3CC)CC[N@H+]2C)CCC1=O	ZINC000092106906	218120747	/nfs/dbraw/zinc/12/07/47/218120747.db2.gz	OUVADKPFVJZEDR-SFHVURJKSA-N	1	1	346.479	0.983	50	30		ECEAMO
Cn1c(NCCC[N@@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O	ZINC000048333105	436449633	/nfs/dbraw/zinc/44/96/33/436449633.db2.gz	GRXLLSQJEDQLHO-UHFFFAOYSA-N	1	1	341.415	0.890	50	30		ECEAMO
N#Cc1cccnc1NC[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1	ZINC000065496854	436664656	/nfs/dbraw/zinc/66/46/56/436664656.db2.gz	SYJHSGGXODPSTJ-ZDUSSCGKSA-N	1	1	342.403	0.629	50	30		ECEAMO
Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)N(CC#N)CC#N)CCO2)n1	ZINC000069368332	436769819	/nfs/dbraw/zinc/76/98/19/436769819.db2.gz	GPXIDGFDZJCFIL-INIZCTEOSA-N	1	1	344.419	0.467	50	30		ECEAMO
Cc1cc(C)n(C[C@@H]2C[N@@H+](CCC(=O)N(CC#N)CC#N)CCO2)n1	ZINC000069368332	436769822	/nfs/dbraw/zinc/76/98/22/436769822.db2.gz	GPXIDGFDZJCFIL-INIZCTEOSA-N	1	1	344.419	0.467	50	30		ECEAMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000069461854	436774798	/nfs/dbraw/zinc/77/47/98/436774798.db2.gz	QRBNSTZXSBPKAA-WMZOPIPTSA-N	1	1	342.399	0.895	50	30		ECEAMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000069461854	436774803	/nfs/dbraw/zinc/77/48/03/436774803.db2.gz	QRBNSTZXSBPKAA-WMZOPIPTSA-N	1	1	342.399	0.895	50	30		ECEAMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000229553104	242174847	/nfs/dbraw/zinc/17/48/47/242174847.db2.gz	QRBNSTZXSBPKAA-SJLPKXTDSA-N	1	1	342.399	0.895	50	30		ECEAMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000229553104	242174850	/nfs/dbraw/zinc/17/48/50/242174850.db2.gz	QRBNSTZXSBPKAA-SJLPKXTDSA-N	1	1	342.399	0.895	50	30		ECEAMO
COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000078602758	217084244	/nfs/dbraw/zinc/08/42/44/217084244.db2.gz	IESOZFCSJOZLTH-INIZCTEOSA-N	1	1	344.415	0.918	50	30		ECEAMO
C=CC[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000069771907	435966437	/nfs/dbraw/zinc/96/64/37/435966437.db2.gz	GRWZLYCQFXDNQG-MRXNPFEDSA-N	1	1	333.436	0.535	50	30		ECEAMO
C=CC[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000069771907	435966439	/nfs/dbraw/zinc/96/64/39/435966439.db2.gz	GRWZLYCQFXDNQG-MRXNPFEDSA-N	1	1	333.436	0.535	50	30		ECEAMO
CN(CC(=O)NCC#CC[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O	ZINC000075165050	436156119	/nfs/dbraw/zinc/15/61/19/436156119.db2.gz	GXNOMJAZRCJGJX-UHFFFAOYSA-N	1	1	349.456	0.056	50	30		ECEAMO
CN(CC(=O)NCC#CC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O	ZINC000075165050	436156127	/nfs/dbraw/zinc/15/61/27/436156127.db2.gz	GXNOMJAZRCJGJX-UHFFFAOYSA-N	1	1	349.456	0.056	50	30		ECEAMO
N#Cc1ccc(N2CCC[N@H+](CC(=O)N3CCOCC3)CC2)cc1	ZINC000046085751	436385305	/nfs/dbraw/zinc/38/53/05/436385305.db2.gz	RMHUBLCKRTUHGC-UHFFFAOYSA-N	1	1	328.416	0.929	50	30		ECEAMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(CO)C2)CC1	ZINC000089263637	436405977	/nfs/dbraw/zinc/40/59/77/436405977.db2.gz	LMMCGHNVDCBIOO-SJLPKXTDSA-N	1	1	336.480	0.773	50	30		ECEAMO
COc1c(C)c[nH+]c(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)c1C	ZINC000058544852	436627635	/nfs/dbraw/zinc/62/76/35/436627635.db2.gz	YCAUGFHWURHLPE-UHFFFAOYSA-N	1	1	343.387	0.613	50	30		ECEAMO
C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000065476418	436663053	/nfs/dbraw/zinc/66/30/53/436663053.db2.gz	HRPMWRAJNRUGRL-GDBMZVCRSA-N	1	1	343.431	0.934	50	30		ECEAMO
C=CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccn2)CC1	ZINC000036397935	213098596	/nfs/dbraw/zinc/09/85/96/213098596.db2.gz	GQNOKJLIULJKHC-UHFFFAOYSA-N	1	1	331.420	0.330	50	30		ECEAMO
Cc1[nH+]cc(CN2CCN(c3nccnc3C#N)C[C@@H](O)C2)n1C	ZINC000217670266	241267143	/nfs/dbraw/zinc/26/71/43/241267143.db2.gz	WQTFJEMKWAEDEC-AWEZNQCLSA-N	1	1	327.392	0.073	50	30		ECEAMO
Cn1cc(C#N)cc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1	ZINC000091738240	218055823	/nfs/dbraw/zinc/05/58/23/218055823.db2.gz	HLDXSYCNPIKGPR-HZPDHXFCSA-N	1	1	346.431	0.300	50	30		ECEAMO
C=CCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C	ZINC000005148131	435984728	/nfs/dbraw/zinc/98/47/28/435984728.db2.gz	YUKSSUJOWHXTSD-UHFFFAOYSA-N	1	1	330.392	0.842	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000071871104	436020919	/nfs/dbraw/zinc/02/09/19/436020919.db2.gz	ISLYYWXDPLNNED-ZDUSSCGKSA-N	1	1	333.388	0.471	50	30		ECEAMO
C#CCNC(=O)CN1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1	ZINC000075611231	436167585	/nfs/dbraw/zinc/16/75/85/436167585.db2.gz	NZVYHWDBIYVZQS-UHFFFAOYSA-N	1	1	345.447	0.255	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000077613502	436244825	/nfs/dbraw/zinc/24/48/25/436244825.db2.gz	MXBILIVXYANRLF-SJLPKXTDSA-N	1	1	340.427	0.769	50	30		ECEAMO
CC/[NH+]=C1\NN[C@@](O)(Cn2c(C)cc(COC)c(C#N)c2=O)S1	ZINC000096265826	436530002	/nfs/dbraw/zinc/53/00/02/436530002.db2.gz	DBRSQYBZSCATCF-CQSZACIVSA-N	1	1	337.405	0.038	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1	ZINC000058279210	436622937	/nfs/dbraw/zinc/62/29/37/436622937.db2.gz	DTEGAYMMOAYEIM-UHFFFAOYSA-N	1	1	338.411	0.644	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1	ZINC000058197953	436621279	/nfs/dbraw/zinc/62/12/79/436621279.db2.gz	RXEUQGUFPXGANL-UHFFFAOYSA-N	1	1	341.411	0.970	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1	ZINC000195549377	436694051	/nfs/dbraw/zinc/69/40/51/436694051.db2.gz	URDBBOCUWCTXQY-BZSNNMDCSA-N	1	1	347.507	0.847	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1	ZINC000252486011	436833394	/nfs/dbraw/zinc/83/33/94/436833394.db2.gz	CLPGGWUBFSEBRY-IKGGRYGDSA-N	1	1	336.480	0.772	50	30		ECEAMO
CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)N1CCNC[C@@H]1C#N)C2	ZINC000888097470	586350070	/nfs/dbraw/zinc/35/00/70/586350070.db2.gz	KRJZJXWJBISKRU-AWEZNQCLSA-N	1	1	344.463	0.616	50	30		ECEAMO
C/C(=N\OC[C@H](O)C[NH+]1CCOCC1)[C@H]1COc2ccccc2O1	ZINC000020791687	212172035	/nfs/dbraw/zinc/17/20/35/212172035.db2.gz	DNMMGEQEIHMMDT-SAYSIOLDSA-N	1	1	336.388	0.912	50	30		ECEAMO
CN1CC[C@]2(CN(C(=O)C3(C#N)CCOCC3)CC[N@H+]2C)CCC1=O	ZINC000095387230	218319117	/nfs/dbraw/zinc/31/91/17/218319117.db2.gz	DVIXOFKOASDICH-SFHVURJKSA-N	1	1	348.447	0.462	50	30		ECEAMO
CC[NH+]=C(NCCc1cnn(C)c1C)NC[C@@H](C)N1CCN(C)CC1	ZINC000097022022	258067987	/nfs/dbraw/zinc/06/79/87/258067987.db2.gz	ZUNWQNSFTOBEKZ-OAHLLOKOSA-N	1	1	349.527	0.462	50	30		ECEAMO
N#CCCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000069744436	435961626	/nfs/dbraw/zinc/96/16/26/435961626.db2.gz	SFGIYNWXYPVVIH-MRXNPFEDSA-N	1	1	346.431	0.074	50	30		ECEAMO
Cn1c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000014166614	436071178	/nfs/dbraw/zinc/07/11/78/436071178.db2.gz	FXBKDXQQZDDIIL-CQSZACIVSA-N	1	1	339.399	0.642	50	30		ECEAMO
N#Cc1ccc(F)cc1CN1CC[NH+](CCN2C(=O)CCC2=O)CC1	ZINC000095965743	436501570	/nfs/dbraw/zinc/50/15/70/436501570.db2.gz	RPMWNSXZRXCZCW-UHFFFAOYSA-N	1	1	344.390	0.964	50	30		ECEAMO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1	ZINC000242178797	526236555	/nfs/dbraw/zinc/23/65/55/526236555.db2.gz	XAYRVNXDDXSRCL-STQMWFEESA-N	1	1	325.438	0.936	50	30		ECEAMO
O=C([C@H]1C[N@H+](Cc2ccc(C#CCCO)cc2)CCN1)N1CCCC1	ZINC000072145156	216032511	/nfs/dbraw/zinc/03/25/11/216032511.db2.gz	TWFCBIOKAFJULP-LJQANCHMSA-N	1	1	341.455	0.817	50	30		ECEAMO
O=C([C@H]1C[N@@H+](Cc2ccc(C#CCCO)cc2)CCN1)N1CCCC1	ZINC000072145156	216032514	/nfs/dbraw/zinc/03/25/14/216032514.db2.gz	TWFCBIOKAFJULP-LJQANCHMSA-N	1	1	341.455	0.817	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC(=C)C)n(C)c1=O	ZINC000010334991	211165112	/nfs/dbraw/zinc/16/51/12/211165112.db2.gz	HMXOFBNVEHJCEH-UHFFFAOYSA-N	1	1	328.376	0.855	50	30		ECEAMO
Cc1cc(N2CCOCC2)nc(N2CC[NH+](CCO)CC2)c1C#N	ZINC000071282713	436006803	/nfs/dbraw/zinc/00/68/03/436006803.db2.gz	OFTHAEKTIDYDQD-UHFFFAOYSA-N	1	1	331.420	0.213	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1	ZINC000091577562	436454133	/nfs/dbraw/zinc/45/41/33/436454133.db2.gz	URDBBOCUWCTXQY-KURKYZTESA-N	1	1	347.507	0.847	50	30		ECEAMO
CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469774	548017795	/nfs/dbraw/zinc/01/77/95/548017795.db2.gz	AWIZCWHEJWLYQA-MRXNPFEDSA-N	1	1	331.420	0.986	50	30		ECEAMO
CN(CC(=O)NCC#CC[N@@H+](C)Cc1ccccc1)S(C)(=O)=O	ZINC000075165159	436155271	/nfs/dbraw/zinc/15/52/71/436155271.db2.gz	CWWBDQQTTSZYSZ-UHFFFAOYSA-N	1	1	337.445	0.129	50	30		ECEAMO
Cc1cnn(C[C@H]2C[N@H+](CCC(=O)N(CC#N)CC#N)CCO2)c1	ZINC000069452907	436774022	/nfs/dbraw/zinc/77/40/22/436774022.db2.gz	IUQGRRNXDAOSLH-OAHLLOKOSA-N	1	1	330.392	0.158	50	30		ECEAMO
Cc1cnn(C[C@H]2C[N@@H+](CCC(=O)N(CC#N)CC#N)CCO2)c1	ZINC000069452907	436774028	/nfs/dbraw/zinc/77/40/28/436774028.db2.gz	IUQGRRNXDAOSLH-OAHLLOKOSA-N	1	1	330.392	0.158	50	30		ECEAMO
N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)C2=NNC(=O)CC2)C1	ZINC000067689354	215185782	/nfs/dbraw/zinc/18/57/82/215185782.db2.gz	TVKVSHPKAZWGPO-CYBMUJFWSA-N	1	1	339.399	0.762	50	30		ECEAMO
C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000020919538	212188501	/nfs/dbraw/zinc/18/85/01/212188501.db2.gz	SMKSIQRXJRNFOB-QGZVFWFLSA-N	1	1	347.459	0.595	50	30		ECEAMO
CC[N@@H+](CCO)C[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1CO	ZINC000091391348	218001279	/nfs/dbraw/zinc/00/12/79/218001279.db2.gz	IQOFHYOKGJNNQK-HZPDHXFCSA-N	1	1	332.448	0.929	50	30		ECEAMO
C=CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC)CC1	ZINC000005147880	435982341	/nfs/dbraw/zinc/98/23/41/435982341.db2.gz	AQWSDKBHLMNVBD-UHFFFAOYSA-N	1	1	332.408	0.141	50	30		ECEAMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1	ZINC000025236069	436148964	/nfs/dbraw/zinc/14/89/64/436148964.db2.gz	UXLDUSDFKSXWDX-CYBMUJFWSA-N	1	1	344.415	0.652	50	30		ECEAMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055192	436189746	/nfs/dbraw/zinc/18/97/46/436189746.db2.gz	MEWXNCJWENCFFB-DOTOQJQBSA-N	1	1	349.479	0.233	50	30		ECEAMO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC000195549380	436694216	/nfs/dbraw/zinc/69/42/16/436694216.db2.gz	SOLSHSWXSQJRSK-AEFFLSMTSA-N	1	1	342.443	0.710	50	30		ECEAMO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000253396990	436841518	/nfs/dbraw/zinc/84/15/18/436841518.db2.gz	BYRWWYJJEPCWSC-CABCVRRESA-N	1	1	344.481	0.509	50	30		ECEAMO
CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H]2C)CC1	ZINC000257365948	436876568	/nfs/dbraw/zinc/87/65/68/436876568.db2.gz	CXULPGMLPOFHBV-ZMSDIMECSA-N	1	1	349.479	0.231	50	30		ECEAMO
CN(CCC#N)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000069657888	215521024	/nfs/dbraw/zinc/52/10/24/215521024.db2.gz	YURRLIKRWSJKIJ-HNNXBMFYSA-N	1	1	343.497	0.179	50	30		ECEAMO
N#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000073099766	216348780	/nfs/dbraw/zinc/34/87/80/216348780.db2.gz	UQBJXPVIYPJFDF-KRWDZBQOSA-N	1	1	328.416	0.555	50	30		ECEAMO
N#CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1	ZINC000073099766	216348784	/nfs/dbraw/zinc/34/87/84/216348784.db2.gz	UQBJXPVIYPJFDF-KRWDZBQOSA-N	1	1	328.416	0.555	50	30		ECEAMO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000095364789	218297994	/nfs/dbraw/zinc/29/79/94/218297994.db2.gz	OGHOCSDEGXPURN-UHFFFAOYSA-N	1	1	337.445	0.929	50	30		ECEAMO
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000095364789	218297997	/nfs/dbraw/zinc/29/79/97/218297997.db2.gz	OGHOCSDEGXPURN-UHFFFAOYSA-N	1	1	337.445	0.929	50	30		ECEAMO
CCc1nnc(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c(C#N)c1CC	ZINC000095412044	218349192	/nfs/dbraw/zinc/34/91/92/218349192.db2.gz	LSMNNPZTVRBBJC-AWEZNQCLSA-N	1	1	346.479	0.518	50	30		ECEAMO
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000408028066	297040496	/nfs/dbraw/zinc/04/04/96/297040496.db2.gz	OBPYFYMXJNRPEW-CABCVRRESA-N	1	1	328.482	0.578	50	30		ECEAMO
CN1CCN(C2CC[NH+](CC(=O)NC3(C#N)CCCC3)CC2)C1=O	ZINC000075131406	436152336	/nfs/dbraw/zinc/15/23/36/436152336.db2.gz	DJCAVVDIVYMHRG-UHFFFAOYSA-N	1	1	333.436	0.771	50	30		ECEAMO
C=CCNC(=O)N1CCO[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000034667081	436255208	/nfs/dbraw/zinc/25/52/08/436255208.db2.gz	DGYFCYOXVJQCMG-MRXNPFEDSA-N	1	1	345.447	0.800	50	30		ECEAMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1	ZINC000229579609	436715998	/nfs/dbraw/zinc/71/59/98/436715998.db2.gz	UPZRRJULQGTIGN-QZTJIDSGSA-N	1	1	342.443	0.852	50	30		ECEAMO
C[C@H]1C[N@@H+](CCC(=O)N(CC#N)CC#N)CCN1Cc1nccn1C	ZINC000069455802	436775042	/nfs/dbraw/zinc/77/50/42/436775042.db2.gz	OAAKRMHKPDORRK-HNNXBMFYSA-N	1	1	343.435	0.192	50	30		ECEAMO
Cc1[nH+]c2n(c1CCNc1c(C#N)c(=O)n(C)c(=O)n1C)CCCC2	ZINC000057139859	282097182	/nfs/dbraw/zinc/09/71/82/282097182.db2.gz	DUXZBAMLUPRZOZ-UHFFFAOYSA-N	1	1	342.403	0.452	50	30		ECEAMO
COCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000078602794	202397618	/nfs/dbraw/zinc/39/76/18/202397618.db2.gz	DEUUSDQRMQVQGD-OAHLLOKOSA-N	1	1	330.388	0.724	50	30		ECEAMO
C=CCN1C[C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1=O	ZINC000065417292	258011829	/nfs/dbraw/zinc/01/18/29/258011829.db2.gz	CFBGFUKAPQNBQL-QGZVFWFLSA-N	1	1	342.443	0.803	50	30		ECEAMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](CCO)CC1	ZINC000071794641	436012360	/nfs/dbraw/zinc/01/23/60/436012360.db2.gz	NQYPDBPVQWDYNJ-UPTPFMHGSA-N	1	1	336.480	0.916	50	30		ECEAMO
Cc1ccc(C#N)c(N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)n1	ZINC000092003163	436465800	/nfs/dbraw/zinc/46/58/00/436465800.db2.gz	YAQQERXXQWXAFB-IAGOWNOFSA-N	1	1	331.464	0.800	50	30		ECEAMO
Cc1ccc(C#N)c(N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)n1	ZINC000092003163	436465803	/nfs/dbraw/zinc/46/58/03/436465803.db2.gz	YAQQERXXQWXAFB-IAGOWNOFSA-N	1	1	331.464	0.800	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)[N@@H+](C)C1	ZINC000329033497	437306064	/nfs/dbraw/zinc/30/60/64/437306064.db2.gz	XXDJJYTUSXDNGJ-JYJNAYRXSA-N	1	1	340.468	0.810	50	30		ECEAMO
C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1	ZINC000585139255	439634479	/nfs/dbraw/zinc/63/44/79/439634479.db2.gz	GBBDIBXPAVQOHG-UHFFFAOYSA-N	1	1	332.429	0.753	50	30		ECEAMO
CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)n1C	ZINC000076831261	202388655	/nfs/dbraw/zinc/38/86/55/202388655.db2.gz	QURRERSLJKVHQN-UHFFFAOYSA-N	1	1	337.380	0.975	50	30		ECEAMO
C[N@H+]1CCC[C@@H](C(=O)NCC#CCOc2ccccc2C(N)=O)C1	ZINC000090743719	203010087	/nfs/dbraw/zinc/01/00/87/203010087.db2.gz	XWYQWWGVRKVPEA-CQSZACIVSA-N	1	1	329.400	0.626	50	30		ECEAMO
Cc1cc(=O)n(CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(=O)[nH]1	ZINC000253536579	244012018	/nfs/dbraw/zinc/01/20/18/244012018.db2.gz	IJSUAAJACFCORT-UHFFFAOYSA-N	1	1	340.387	0.346	50	30		ECEAMO
C[C@H]1CN(C(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)CCO1	ZINC000071824875	203120519	/nfs/dbraw/zinc/12/05/19/203120519.db2.gz	FRLCEXCVMCCUPD-HNNXBMFYSA-N	1	1	343.431	0.713	50	30		ECEAMO
C[C@H]1CN(C(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)CCO1	ZINC000071824875	203120522	/nfs/dbraw/zinc/12/05/22/203120522.db2.gz	FRLCEXCVMCCUPD-HNNXBMFYSA-N	1	1	343.431	0.713	50	30		ECEAMO
C=CCN1CC[C@]2(CN(C(=O)c3nonc3C)CC[N@H+]2C)CCC1=O	ZINC000091906825	218086545	/nfs/dbraw/zinc/08/65/45/218086545.db2.gz	KVSXLCKEHRKOII-KRWDZBQOSA-N	1	1	347.419	0.703	50	30		ECEAMO
C=CCN1CC[C@]2(CN(C(=O)c3nonc3C)CC[N@@H+]2C)CCC1=O	ZINC000091906825	218086549	/nfs/dbraw/zinc/08/65/49/218086549.db2.gz	KVSXLCKEHRKOII-KRWDZBQOSA-N	1	1	347.419	0.703	50	30		ECEAMO
C=CCN1CC[C@@]2(CN(C(=O)c3nonc3C)CC[N@H+]2C)CCC1=O	ZINC000091906826	218087309	/nfs/dbraw/zinc/08/73/09/218087309.db2.gz	KVSXLCKEHRKOII-QGZVFWFLSA-N	1	1	347.419	0.703	50	30		ECEAMO
C=CCN1CC[C@@]2(CN(C(=O)c3nonc3C)CC[N@@H+]2C)CCC1=O	ZINC000091906826	218087310	/nfs/dbraw/zinc/08/73/10/218087310.db2.gz	KVSXLCKEHRKOII-QGZVFWFLSA-N	1	1	347.419	0.703	50	30		ECEAMO
C[NH+]1CCN([C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]2O)CC1	ZINC000299791154	258097038	/nfs/dbraw/zinc/09/70/38/258097038.db2.gz	CAYIVALJNXOOJA-HOTGVXAUSA-N	1	1	329.404	0.383	50	30		ECEAMO
CN1CC[C@@]2(CN(C(=O)C3(C#N)CCOCC3)CC[N@H+]2C)CCC1=O	ZINC000095387231	290007767	/nfs/dbraw/zinc/00/77/67/290007767.db2.gz	DVIXOFKOASDICH-GOSISDBHSA-N	1	1	348.447	0.462	50	30		ECEAMO
N#CCc1ccc(OCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1	ZINC000071828346	436016792	/nfs/dbraw/zinc/01/67/92/436016792.db2.gz	YTBXTRYXDRAWGT-UHFFFAOYSA-N	1	1	330.388	0.197	50	30		ECEAMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1	ZINC000071896935	436027815	/nfs/dbraw/zinc/02/78/15/436027815.db2.gz	UPZRRJULQGTIGN-ZWKOTPCHSA-N	1	1	342.443	0.852	50	30		ECEAMO
C=CCNC(=O)N1CCO[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000034667082	436256242	/nfs/dbraw/zinc/25/62/42/436256242.db2.gz	DGYFCYOXVJQCMG-INIZCTEOSA-N	1	1	345.447	0.800	50	30		ECEAMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	ZINC000095986317	436503566	/nfs/dbraw/zinc/50/35/66/436503566.db2.gz	ZBPJXEYCWRRUSE-OAHLLOKOSA-N	1	1	348.472	0.914	50	30		ECEAMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1	ZINC000095987274	436503785	/nfs/dbraw/zinc/50/37/85/436503785.db2.gz	CLAQFBBINYNFFA-GJZGRUSLSA-N	1	1	348.472	0.771	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1	ZINC000110705712	436628548	/nfs/dbraw/zinc/62/85/48/436628548.db2.gz	MBZVZEQGMPFCBX-BBWFWOEESA-N	1	1	336.480	0.914	50	30		ECEAMO
CNC(=O)C[NH+]1CCC(Nc2ncnc3c2cnn3CCC#N)CC1	ZINC000065578381	436668396	/nfs/dbraw/zinc/66/83/96/436668396.db2.gz	HOWOZMVJNFCYBG-UHFFFAOYSA-N	1	1	342.407	0.362	50	30		ECEAMO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1	ZINC000242178795	436758815	/nfs/dbraw/zinc/75/88/15/436758815.db2.gz	XAYRVNXDDXSRCL-OLZOCXBDSA-N	1	1	325.438	0.936	50	30		ECEAMO
C[C@@H]1C[N@@H+](CCC(=O)N(CC#N)CC#N)CCN1Cc1nccn1C	ZINC000069455799	436773816	/nfs/dbraw/zinc/77/38/16/436773816.db2.gz	OAAKRMHKPDORRK-OAHLLOKOSA-N	1	1	343.435	0.192	50	30		ECEAMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)N(CC#N)CC#N)n1	ZINC000069521276	436778047	/nfs/dbraw/zinc/77/80/47/436778047.db2.gz	UEKLPTNHEMVNQY-OAHLLOKOSA-N	1	1	329.408	0.625	50	30		ECEAMO
N#Cc1ccc(NC[C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)nc1	ZINC000097200634	201382245	/nfs/dbraw/zinc/38/22/45/201382245.db2.gz	JKKJJIMROPGGAB-CYBMUJFWSA-N	1	1	328.376	0.239	50	30		ECEAMO
N#Cc1ccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)nc1	ZINC000097200633	201382753	/nfs/dbraw/zinc/38/27/53/201382753.db2.gz	JKKJJIMROPGGAB-ZDUSSCGKSA-N	1	1	328.376	0.239	50	30		ECEAMO
CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(C#N)cn3C)C2)[nH+]c(N)n1	ZINC000244788017	243082062	/nfs/dbraw/zinc/08/20/62/243082062.db2.gz	QHUVQVJXZXRBQO-PHIMTYICSA-N	1	1	325.376	0.987	50	30		ECEAMO
OCC#Cc1csc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1	ZINC000011818527	211253001	/nfs/dbraw/zinc/25/30/01/211253001.db2.gz	RGIWVZSRAQHOPH-IAGOWNOFSA-N	1	1	336.457	0.359	50	30		ECEAMO
O=C(C#Cc1ccccc1)N1CC[NH+](CCC(=O)NC2CC2)CC1	ZINC000095406180	218342129	/nfs/dbraw/zinc/34/21/29/218342129.db2.gz	BKELVBVAXAXNQW-UHFFFAOYSA-N	1	1	325.412	0.851	50	30		ECEAMO
C[N@@H+]1CCN2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@@H]2C1	ZINC000106254969	277115701	/nfs/dbraw/zinc/11/57/01/277115701.db2.gz	YYWAPJIVSUTEKQ-AWEZNQCLSA-N	1	1	331.416	0.474	50	30		ECEAMO
C[N@H+]1CCN2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@@H]2C1	ZINC000106254969	277115702	/nfs/dbraw/zinc/11/57/02/277115702.db2.gz	YYWAPJIVSUTEKQ-AWEZNQCLSA-N	1	1	331.416	0.474	50	30		ECEAMO
COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091586156	436454427	/nfs/dbraw/zinc/45/44/27/436454427.db2.gz	JKXBPNFARMRTTF-IAGOWNOFSA-N	1	1	331.416	0.817	50	30		ECEAMO
N#Cc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cn1	ZINC000091663357	436457233	/nfs/dbraw/zinc/45/72/33/436457233.db2.gz	FEDBYZSJSPMFME-CABCVRRESA-N	1	1	344.415	0.356	50	30		ECEAMO
CN1CCN(C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2CO)CC1	ZINC000095363512	436491134	/nfs/dbraw/zinc/49/11/34/436491134.db2.gz	LVYMVGDBHNDBAI-RTBURBONSA-N	1	1	328.460	0.846	50	30		ECEAMO
CN1CCN(C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2CO)CC1	ZINC000095363512	436491137	/nfs/dbraw/zinc/49/11/37/436491137.db2.gz	LVYMVGDBHNDBAI-RTBURBONSA-N	1	1	328.460	0.846	50	30		ECEAMO
CCc1nnc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c(C#N)c1CC	ZINC000095412045	436493439	/nfs/dbraw/zinc/49/34/39/436493439.db2.gz	LSMNNPZTVRBBJC-CQSZACIVSA-N	1	1	346.479	0.518	50	30		ECEAMO
Cc1n[nH]c(C)c1C[N@@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H](O)C1	ZINC000097743491	436543157	/nfs/dbraw/zinc/54/31/57/436543157.db2.gz	QJRFIDFLDFNQKU-AWEZNQCLSA-N	1	1	342.403	0.545	50	30		ECEAMO
Cc1n[nH]c(C)c1C[N@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H](O)C1	ZINC000097743491	436543161	/nfs/dbraw/zinc/54/31/61/436543161.db2.gz	QJRFIDFLDFNQKU-AWEZNQCLSA-N	1	1	342.403	0.545	50	30		ECEAMO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000253397024	436842131	/nfs/dbraw/zinc/84/21/31/436842131.db2.gz	BYRWWYJJEPCWSC-LSDHHAIUSA-N	1	1	344.481	0.509	50	30		ECEAMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1	ZINC000328590424	437236839	/nfs/dbraw/zinc/23/68/39/437236839.db2.gz	MJYOTIUDJHBJJM-KRWDZBQOSA-N	1	1	347.463	0.829	50	30		ECEAMO
C=CCN1C(=O)C(=O)N(CN2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000022798925	518835918	/nfs/dbraw/zinc/83/59/18/518835918.db2.gz	GKKHJHHAPZJOJZ-UHFFFAOYSA-N	1	1	342.399	0.739	50	30		ECEAMO
N#Cc1cc2c(ccn(CCC[N@@H+]3CCCC[C@@H]3CO)c2=O)[nH]c1=O	ZINC000067843357	609767567	/nfs/dbraw/zinc/76/75/67/609767567.db2.gz	PCKPWKIVRCMGBB-CQSZACIVSA-N	1	1	342.399	0.798	50	30		ECEAMO
CCOc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000069979064	203069297	/nfs/dbraw/zinc/06/92/97/203069297.db2.gz	WABOPVIQVJKYPJ-AWEZNQCLSA-N	1	1	347.415	0.861	50	30		ECEAMO
C=CCn1c(NCCC[NH+]2CCOCC2)nc2c(C)nn(C)c2c1=O	ZINC000032502074	436239336	/nfs/dbraw/zinc/23/93/36/436239336.db2.gz	YFCYUIDJIROHSE-UHFFFAOYSA-N	1	1	346.435	0.759	50	30		ECEAMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1	ZINC000091580860	436455003	/nfs/dbraw/zinc/45/50/03/436455003.db2.gz	SOLSHSWXSQJRSK-FUHWJXTLSA-N	1	1	342.443	0.710	50	30		ECEAMO
C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3ccc(C#N)cn3)C2)CCO1	ZINC000222200728	201033411	/nfs/dbraw/zinc/03/34/11/201033411.db2.gz	HRPMWRAJNRUGRL-ZBFHGGJFSA-N	1	1	343.431	0.934	50	30		ECEAMO
C=CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCCO)n(C)c1=O	ZINC000010335411	201511190	/nfs/dbraw/zinc/51/11/90/201511190.db2.gz	RZAQCFSCXWFVHB-NSHDSACASA-N	1	1	346.391	0.222	50	30		ECEAMO
N#Cc1c(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cn2ccccc12	ZINC000069879574	203060082	/nfs/dbraw/zinc/06/00/82/203060082.db2.gz	CYGQLJPYOZSMID-CYBMUJFWSA-N	1	1	347.444	0.816	50	30		ECEAMO
N#Cc1c(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cn2ccccc12	ZINC000069879574	203060086	/nfs/dbraw/zinc/06/00/86/203060086.db2.gz	CYGQLJPYOZSMID-CYBMUJFWSA-N	1	1	347.444	0.816	50	30		ECEAMO
C=CCN1CC[C@]2(C[N@H+](CCCn3cnnn3)CCN2C)CCC1=O	ZINC000091486742	218013324	/nfs/dbraw/zinc/01/33/24/218013324.db2.gz	KLGOTYAINQCANI-KRWDZBQOSA-N	1	1	347.467	0.248	50	30		ECEAMO
C=CCN1CC[C@]2(CN(CCCn3cnnn3)CC[N@H+]2C)CCC1=O	ZINC000091486742	218013327	/nfs/dbraw/zinc/01/33/27/218013327.db2.gz	KLGOTYAINQCANI-KRWDZBQOSA-N	1	1	347.467	0.248	50	30		ECEAMO
C=CCN1CC[C@]2(CN(CCCn3cnnn3)CC[N@@H+]2C)CCC1=O	ZINC000091486742	218013329	/nfs/dbraw/zinc/01/33/29/218013329.db2.gz	KLGOTYAINQCANI-KRWDZBQOSA-N	1	1	347.467	0.248	50	30		ECEAMO
C#Cc1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000096424068	436532679	/nfs/dbraw/zinc/53/26/79/436532679.db2.gz	MKLKAFMFUHRSJM-QGZVFWFLSA-N	1	1	330.432	0.740	50	30		ECEAMO
Cc1[nH+]cc(CN2CCN(c3nccnc3C#N)C[C@H](O)C2)n1C	ZINC000097729650	436543414	/nfs/dbraw/zinc/54/34/14/436543414.db2.gz	WQTFJEMKWAEDEC-CQSZACIVSA-N	1	1	327.392	0.073	50	30		ECEAMO
CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000058147628	436620796	/nfs/dbraw/zinc/62/07/96/436620796.db2.gz	NVKIMPLKQACKGK-LBPRGKRZSA-N	1	1	330.392	0.309	50	30		ECEAMO
CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000058147628	436620798	/nfs/dbraw/zinc/62/07/98/436620798.db2.gz	NVKIMPLKQACKGK-LBPRGKRZSA-N	1	1	330.392	0.309	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1	ZINC000058192714	436621457	/nfs/dbraw/zinc/62/14/57/436621457.db2.gz	WBICNMFUZOUKSP-UHFFFAOYSA-N	1	1	349.456	0.718	50	30		ECEAMO
CNC(=O)[C@@H]1C[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1	ZINC000328596996	437236884	/nfs/dbraw/zinc/23/68/84/437236884.db2.gz	CGXGKRZVVOIJNQ-LRDDRELGSA-N	1	1	345.440	0.891	50	30		ECEAMO
CNC(=O)[C@@H]1C[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1	ZINC000328596996	437236887	/nfs/dbraw/zinc/23/68/87/437236887.db2.gz	CGXGKRZVVOIJNQ-LRDDRELGSA-N	1	1	345.440	0.891	50	30		ECEAMO
C=CCNC(=O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1	ZINC000585116038	439632161	/nfs/dbraw/zinc/63/21/61/439632161.db2.gz	FEDDHRDUHVGTFG-UHFFFAOYSA-N	1	1	346.431	0.929	50	30		ECEAMO
C=C(C)CS(=O)(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000189631730	201047924	/nfs/dbraw/zinc/04/79/24/201047924.db2.gz	OXPNBELBJSEUOD-INIZCTEOSA-N	1	1	345.509	0.619	50	30		ECEAMO
C[C@@H]1CN(C(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)CCO1	ZINC000071824874	203120655	/nfs/dbraw/zinc/12/06/55/203120655.db2.gz	FRLCEXCVMCCUPD-OAHLLOKOSA-N	1	1	343.431	0.713	50	30		ECEAMO
C[C@@H]1CN(C(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)CCO1	ZINC000071824874	203120657	/nfs/dbraw/zinc/12/06/57/203120657.db2.gz	FRLCEXCVMCCUPD-OAHLLOKOSA-N	1	1	343.431	0.713	50	30		ECEAMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1	ZINC000072300780	436043314	/nfs/dbraw/zinc/04/33/14/436043314.db2.gz	JSVODDWEWCWCMJ-GUYCJALGSA-N	1	1	334.420	0.497	50	30		ECEAMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)nc2)C[N@@H+]1C	ZINC000096164451	436516996	/nfs/dbraw/zinc/51/69/96/436516996.db2.gz	KDBATVVIFVFTRT-CABCVRRESA-N	1	1	329.404	0.624	50	30		ECEAMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)nc2)C[N@H+]1C	ZINC000096164451	436516999	/nfs/dbraw/zinc/51/69/99/436516999.db2.gz	KDBATVVIFVFTRT-CABCVRRESA-N	1	1	329.404	0.624	50	30		ECEAMO
C#Cc1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000096424069	436532195	/nfs/dbraw/zinc/53/21/95/436532195.db2.gz	MKLKAFMFUHRSJM-KRWDZBQOSA-N	1	1	330.432	0.740	50	30		ECEAMO
C=CCN1CC[C@@]2(C[N@H+](CCCn3cnnn3)CCN2C)CCC1=O	ZINC000107653591	436613484	/nfs/dbraw/zinc/61/34/84/436613484.db2.gz	KLGOTYAINQCANI-QGZVFWFLSA-N	1	1	347.467	0.248	50	30		ECEAMO
C=CCN1CC[C@@]2(CN(CCCn3cnnn3)CC[N@H+]2C)CCC1=O	ZINC000107653591	436613485	/nfs/dbraw/zinc/61/34/85/436613485.db2.gz	KLGOTYAINQCANI-QGZVFWFLSA-N	1	1	347.467	0.248	50	30		ECEAMO
C=CCN1CC[C@@]2(CN(CCCn3cnnn3)CC[N@@H+]2C)CCC1=O	ZINC000107653591	436613487	/nfs/dbraw/zinc/61/34/87/436613487.db2.gz	KLGOTYAINQCANI-QGZVFWFLSA-N	1	1	347.467	0.248	50	30		ECEAMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC000108376102	436617089	/nfs/dbraw/zinc/61/70/89/436617089.db2.gz	CLAQFBBINYNFFA-HUUCEWRRSA-N	1	1	348.472	0.771	50	30		ECEAMO
C=CC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1	ZINC000065421288	436659148	/nfs/dbraw/zinc/65/91/48/436659148.db2.gz	WSEOPEPOMUCFML-MRXNPFEDSA-N	1	1	330.432	0.666	50	30		ECEAMO
CC(C)(C)OC(=O)NCCC(=O)N1CC(C[NH+]2CCOCC2)C1	ZINC000328592166	437237758	/nfs/dbraw/zinc/23/77/58/437237758.db2.gz	FLHLHARENJMDRR-UHFFFAOYSA-N	1	1	327.425	0.896	50	30		ECEAMO
CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2C1=O	ZINC000097346930	545729728	/nfs/dbraw/zinc/72/97/28/545729728.db2.gz	ZJWFDSHMWNCNDZ-IYBDPMFKSA-N	1	1	326.396	0.856	50	30		ECEAMO
N#CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000073099769	202368441	/nfs/dbraw/zinc/36/84/41/202368441.db2.gz	UQBJXPVIYPJFDF-QGZVFWFLSA-N	1	1	328.416	0.555	50	30		ECEAMO
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CC[C@@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1	ZINC000069897051	203060580	/nfs/dbraw/zinc/06/05/80/203060580.db2.gz	NONNNBBJSQTBEX-OAHLLOKOSA-N	1	1	331.420	0.305	50	30		ECEAMO
CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1	ZINC000025236073	436147485	/nfs/dbraw/zinc/14/74/85/436147485.db2.gz	UXLDUSDFKSXWDX-ZDUSSCGKSA-N	1	1	344.415	0.652	50	30		ECEAMO
CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091602536	436453963	/nfs/dbraw/zinc/45/39/63/436453963.db2.gz	XPHCQOHPYRPCRF-IAGOWNOFSA-N	1	1	331.416	0.553	50	30		ECEAMO
CCN1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402639	436493254	/nfs/dbraw/zinc/49/32/54/436493254.db2.gz	ATXAHYMKPRBKPS-YOEHRIQHSA-N	1	1	344.419	0.797	50	30		ECEAMO
CN(C)C=Nc1nc2nc([NH+]=CN(C)C)n(C)c(=O)c2nc1C#N	ZINC000252614593	436837700	/nfs/dbraw/zinc/83/77/00/436837700.db2.gz	JKMUGMGDTBGZPP-UHFFFAOYSA-N	1	1	327.352	0.038	50	30		ECEAMO
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21	ZINC000253397008	436841864	/nfs/dbraw/zinc/84/18/64/436841864.db2.gz	BYRWWYJJEPCWSC-GJZGRUSLSA-N	1	1	344.481	0.509	50	30		ECEAMO
N#Cc1cc2c(ccn(CCC[N@@H+]3CCC[C@@H](O)C3)c2=O)[nH]c1=O	ZINC000067489608	215153146	/nfs/dbraw/zinc/15/31/46/215153146.db2.gz	WKHATBRHMDBZSX-CYBMUJFWSA-N	1	1	328.372	0.408	50	30		ECEAMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1	ZINC000078896315	436282419	/nfs/dbraw/zinc/28/24/19/436282419.db2.gz	RUGSNVCDMIQJJG-VYDXJSESSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000078896315	436282423	/nfs/dbraw/zinc/28/24/23/436282423.db2.gz	RUGSNVCDMIQJJG-VYDXJSESSA-N	1	1	336.480	0.552	50	30		ECEAMO
C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000078896315	436282426	/nfs/dbraw/zinc/28/24/26/436282426.db2.gz	RUGSNVCDMIQJJG-VYDXJSESSA-N	1	1	336.480	0.552	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(CO)C2)CC1	ZINC000089263638	436406051	/nfs/dbraw/zinc/40/60/51/436406051.db2.gz	LMMCGHNVDCBIOO-FUHWJXTLSA-N	1	1	336.480	0.773	50	30		ECEAMO
CC[N@@H+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091690331	436456302	/nfs/dbraw/zinc/45/63/02/436456302.db2.gz	HJGBXBJBZMCAGH-HUUCEWRRSA-N	1	1	337.445	0.739	50	30		ECEAMO
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)CC2	ZINC000091951048	436464061	/nfs/dbraw/zinc/46/40/61/436464061.db2.gz	BOBXDGISOHMKBL-HNNXBMFYSA-N	1	1	345.447	0.697	50	30		ECEAMO
C[N@H+]1CCN(c2ncccc2C#N)C[C@]12CCC(=O)N(CCO)CC2	ZINC000107665036	436613088	/nfs/dbraw/zinc/61/30/88/436613088.db2.gz	FGKILAMKMUKEFH-GOSISDBHSA-N	1	1	343.431	0.449	50	30		ECEAMO
Cc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)CCC#N)CC2)no1	ZINC000058209893	436621267	/nfs/dbraw/zinc/62/12/67/436621267.db2.gz	ZPPHDJCEFBWKHB-UHFFFAOYSA-N	1	1	333.392	0.549	50	30		ECEAMO
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CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CC#N	ZINC000576219363	438773051	/nfs/dbraw/zinc/77/30/51/438773051.db2.gz	ZCFALZXIRUOXLQ-UHFFFAOYSA-N	1	1	328.372	0.586	50	30		ECEAMO
C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CNC(=O)O3)C2)cc1	ZINC000888093657	586349209	/nfs/dbraw/zinc/34/92/09/586349209.db2.gz	AJLUWNGMZKSTFA-HOCLYGCPSA-N	1	1	343.383	0.611	50	30		ECEAMO
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CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)NCC#Cc1ccccc1	ZINC000089382670	436410106	/nfs/dbraw/zinc/41/01/06/436410106.db2.gz	KSMIZPSSBNARTM-GOSISDBHSA-N	1	1	344.459	0.288	50	30		ECEAMO
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CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H]2C)CC1	ZINC000257365946	436877800	/nfs/dbraw/zinc/87/78/00/436877800.db2.gz	CXULPGMLPOFHBV-BFYDXBDKSA-N	1	1	349.479	0.231	50	30		ECEAMO
C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1CCNS(C)(=O)=O	ZINC000170607201	436946294	/nfs/dbraw/zinc/94/62/94/436946294.db2.gz	CQCRDDDKZBHGCC-AWEZNQCLSA-N	1	1	336.461	0.614	50	30		ECEAMO
C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1CCNS(C)(=O)=O	ZINC000170607201	436946301	/nfs/dbraw/zinc/94/63/01/436946301.db2.gz	CQCRDDDKZBHGCC-AWEZNQCLSA-N	1	1	336.461	0.614	50	30		ECEAMO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1	ZINC000328650844	437245620	/nfs/dbraw/zinc/24/56/20/437245620.db2.gz	BEGYFNPTSZEPGE-CHWSQXEVSA-N	1	1	333.454	0.130	50	30		ECEAMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1	ZINC000328650844	437245625	/nfs/dbraw/zinc/24/56/25/437245625.db2.gz	BEGYFNPTSZEPGE-CHWSQXEVSA-N	1	1	333.454	0.130	50	30		ECEAMO
C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1	ZINC000408512842	438580904	/nfs/dbraw/zinc/58/09/04/438580904.db2.gz	SAFSUJPTESBVOC-UHFFFAOYSA-N	1	1	346.406	0.521	50	30		ECEAMO
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COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000328597815	437237234	/nfs/dbraw/zinc/23/72/34/437237234.db2.gz	IVTDLKRQUXXPGE-ZDUSSCGKSA-N	1	1	338.433	0.480	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1	ZINC000058181513	518248741	/nfs/dbraw/zinc/24/87/41/518248741.db2.gz	DAPUMMBTKQPMML-UHFFFAOYSA-N	1	1	339.399	0.349	50	30		ECEAMO
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CC(C)(O)C#Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000022918437	212334844	/nfs/dbraw/zinc/33/48/44/212334844.db2.gz	AXBCVUPTWJHOLU-OALUTQOASA-N	1	1	344.455	0.686	50	30		ECEAMO
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C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000069921440	435976412	/nfs/dbraw/zinc/97/64/12/435976412.db2.gz	UTDINKAWMZJHHH-AWEZNQCLSA-N	1	1	343.431	0.496	50	30		ECEAMO
CN(Cc1cc(C#N)ccc1F)C(=O)CN1CC[NH+](CCO)CC1	ZINC000069966570	435980191	/nfs/dbraw/zinc/98/01/91/435980191.db2.gz	RJESPIULNRPJBV-UHFFFAOYSA-N	1	1	334.395	0.266	50	30		ECEAMO
CN(CCC#N)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000069657887	435957720	/nfs/dbraw/zinc/95/77/20/435957720.db2.gz	YURRLIKRWSJKIJ-OAHLLOKOSA-N	1	1	343.497	0.179	50	30		ECEAMO
COc1nccc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1C#N	ZINC000071589458	436007520	/nfs/dbraw/zinc/00/75/20/436007520.db2.gz	MGOQNGUANXITPG-HZPDHXFCSA-N	1	1	331.420	0.149	50	30		ECEAMO
C#CCNC(=O)CN1CCC[N@@H+]([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000071907423	436029145	/nfs/dbraw/zinc/02/91/45/436029145.db2.gz	OBBUPLSFFSADII-OAHLLOKOSA-N	1	1	334.464	0.191	50	30		ECEAMO
C#CCNC(=O)CN1CCC[N@H+]([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000071907423	436029152	/nfs/dbraw/zinc/02/91/52/436029152.db2.gz	OBBUPLSFFSADII-OAHLLOKOSA-N	1	1	334.464	0.191	50	30		ECEAMO
N#Cc1cnn(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000072294667	436043464	/nfs/dbraw/zinc/04/34/64/436043464.db2.gz	YXADKLYSHJZKTB-QGZVFWFLSA-N	1	1	339.399	0.772	50	30		ECEAMO
N#Cc1cnn(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000072294667	436043467	/nfs/dbraw/zinc/04/34/67/436043467.db2.gz	YXADKLYSHJZKTB-QGZVFWFLSA-N	1	1	339.399	0.772	50	30		ECEAMO
C[C@@H]1C[N@H+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1	ZINC000012863510	436056856	/nfs/dbraw/zinc/05/68/56/436056856.db2.gz	BZSSPMBZEXKCOJ-TXEJJXNPSA-N	1	1	349.435	0.255	50	30		ECEAMO
C[C@@H]1C[N@@H+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1	ZINC000012863510	436056862	/nfs/dbraw/zinc/05/68/62/436056862.db2.gz	BZSSPMBZEXKCOJ-TXEJJXNPSA-N	1	1	349.435	0.255	50	30		ECEAMO
N#Cc1ccc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)cc1	ZINC000426552252	438065852	/nfs/dbraw/zinc/06/58/52/438065852.db2.gz	FWCQPBNBPMRWDY-HNNXBMFYSA-N	1	1	339.399	0.712	50	30		ECEAMO
C[C@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)N1CC[NH+](C)CC1	ZINC000584892988	439623942	/nfs/dbraw/zinc/62/39/42/439623942.db2.gz	LZJBOJPXCSIFQI-OAHLLOKOSA-N	1	1	344.463	0.903	50	30		ECEAMO
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](CCO)C2)CC1	ZINC000097492592	545730876	/nfs/dbraw/zinc/73/08/76/545730876.db2.gz	IXGQJBFMDLDBEJ-QGZVFWFLSA-N	1	1	342.443	0.911	50	30		ECEAMO
CC[NH+]1CCN(C[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]2CO)CC1	ZINC000095364707	218297957	/nfs/dbraw/zinc/29/79/57/218297957.db2.gz	ICKBCSNBYAQTAD-QZTJIDSGSA-N	1	1	343.475	0.944	50	30		ECEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCNC(N)=O)CC2)cc1	ZINC000075862366	436180440	/nfs/dbraw/zinc/18/04/40/436180440.db2.gz	OCTWBGPKCSWADI-UHFFFAOYSA-N	1	1	329.404	0.651	50	30		ECEAMO
C[NH+]=C(NC[C@@H](C(C)C)N1CCN(C)CC1)N(C)Cc1cnn(C)c1	ZINC000095397538	436493690	/nfs/dbraw/zinc/49/36/90/436493690.db2.gz	ZYLWCEJTMVKWPC-KRWDZBQOSA-N	1	1	349.527	0.699	50	30		ECEAMO
Cn1ncc2c1nc(N1CC[NH+](Cc3ccc(C#N)cc3)CC1)[nH]c2=O	ZINC000057840756	436617132	/nfs/dbraw/zinc/61/71/32/436617132.db2.gz	JZLJYTLTUZQBLX-UHFFFAOYSA-N	1	1	349.398	0.850	50	30		ECEAMO
CN(CC[N@@H+](C)C1CCCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C	ZINC000065548431	436667180	/nfs/dbraw/zinc/66/71/80/436667180.db2.gz	MTECTEWZDJGXFI-UHFFFAOYSA-N	1	1	333.436	0.656	50	30		ECEAMO
Cn1c(NCC[N@@H+]2CCc3sccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000053580072	214188597	/nfs/dbraw/zinc/18/85/97/214188597.db2.gz	GAQLHCJUFXNOKB-UHFFFAOYSA-N	1	1	345.428	0.487	50	30		ECEAMO
Cn1c(NCC[N@H+]2CCc3sccc3C2)c(C#N)c(=O)n(C)c1=O	ZINC000053580072	214188598	/nfs/dbraw/zinc/18/85/98/214188598.db2.gz	GAQLHCJUFXNOKB-UHFFFAOYSA-N	1	1	345.428	0.487	50	30		ECEAMO
C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000106781198	290084340	/nfs/dbraw/zinc/08/43/40/290084340.db2.gz	YMNRKCYWSIQGCD-KBXCAEBGSA-N	1	1	336.480	0.819	50	30		ECEAMO
Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)N(CC#N)CC#N)C2)n1	ZINC000069847595	435972542	/nfs/dbraw/zinc/97/25/42/435972542.db2.gz	GBMAQGPYOFCREM-INIZCTEOSA-N	1	1	343.435	0.873	50	30		ECEAMO
CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1	ZINC000071881938	436023646	/nfs/dbraw/zinc/02/36/46/436023646.db2.gz	JSFUSNJXNDMGHV-KRWDZBQOSA-N	1	1	331.416	0.908	50	30		ECEAMO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1	ZINC000407970356	438475327	/nfs/dbraw/zinc/47/53/27/438475327.db2.gz	KZVXAQXFHLHVNG-CQSZACIVSA-N	1	1	329.466	0.855	50	30		ECEAMO
C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846189	439710701	/nfs/dbraw/zinc/71/07/01/439710701.db2.gz	NDTNBXGWCDNRCS-FUHWJXTLSA-N	1	1	330.432	0.987	50	30		ECEAMO
C=CCn1ncc(C[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)c1C	ZINC000020783798	519291174	/nfs/dbraw/zinc/29/11/74/519291174.db2.gz	ITBXCNRNSVEGED-UHFFFAOYSA-N	1	1	328.420	0.793	50	30		ECEAMO
C=CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C/C=C/C)c(=O)n1C	ZINC000010387113	273485857	/nfs/dbraw/zinc/48/58/57/273485857.db2.gz	GGGWEMWGGXFMDY-FNORWQNLSA-N	1	1	328.376	0.855	50	30		ECEAMO
CC[C@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1	ZINC000069897049	435974518	/nfs/dbraw/zinc/97/45/18/435974518.db2.gz	NONNNBBJSQTBEX-HNNXBMFYSA-N	1	1	331.420	0.305	50	30		ECEAMO
CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893791	436026910	/nfs/dbraw/zinc/02/69/10/436026910.db2.gz	YFPDJNFALBWVKQ-AWEZNQCLSA-N	1	1	333.392	0.511	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000077613505	436245572	/nfs/dbraw/zinc/24/55/72/436245572.db2.gz	MXBILIVXYANRLF-WMZOPIPTSA-N	1	1	340.427	0.769	50	30		ECEAMO
N#Cc1cccnc1N1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1	ZINC000065488006	436664284	/nfs/dbraw/zinc/66/42/84/436664284.db2.gz	JVFPKFJFWDHNOR-UHFFFAOYSA-N	1	1	328.376	0.017	50	30		ECEAMO
N#Cc1cccnc1N1CCC[N@H+](CC(=O)N2CCNC2=O)CC1	ZINC000065488006	436664287	/nfs/dbraw/zinc/66/42/87/436664287.db2.gz	JVFPKFJFWDHNOR-UHFFFAOYSA-N	1	1	328.376	0.017	50	30		ECEAMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)N(CC#N)CC#N)n1	ZINC000069521272	436778359	/nfs/dbraw/zinc/77/83/59/436778359.db2.gz	UEKLPTNHEMVNQY-HNNXBMFYSA-N	1	1	329.408	0.625	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)CC1	ZINC000252486015	436833845	/nfs/dbraw/zinc/83/38/45/436833845.db2.gz	CLPGGWUBFSEBRY-YESZJQIVSA-N	1	1	336.480	0.772	50	30		ECEAMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCSC2)CC1	ZINC000328588932	437237362	/nfs/dbraw/zinc/23/73/62/437237362.db2.gz	YWSKWBBYRJRIPR-ZIAGYGMSSA-N	1	1	340.493	0.892	50	30		ECEAMO
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1	ZINC000407970350	438474947	/nfs/dbraw/zinc/47/49/47/438474947.db2.gz	KZVXAQXFHLHVNG-AWEZNQCLSA-N	1	1	329.466	0.855	50	30		ECEAMO
N#Cc1ccc(CN2CCC[N@H+](C[C@H](O)COCCO)CC2)cc1	ZINC000084398304	545710092	/nfs/dbraw/zinc/71/00/92/545710092.db2.gz	UIOHWPAZJNCKTH-SFHVURJKSA-N	1	1	333.432	0.436	50	30		ECEAMO
Cc1cc(N2CCN(Cc3cccc(C#N)c3)C[C@H](O)C2)nc(N)[nH+]1	ZINC000097711706	219049612	/nfs/dbraw/zinc/04/96/12/219049612.db2.gz	KCDPSJIHRRADLH-INIZCTEOSA-N	1	1	338.415	0.922	50	30		ECEAMO
CC[NH+]1CCN(CCS(=O)(=O)OCC(F)(F)C(F)F)CC1	ZINC000022036573	212272756	/nfs/dbraw/zinc/27/27/56/212272756.db2.gz	QINLAMLYDRCEBM-UHFFFAOYSA-N	1	1	336.351	0.871	50	30		ECEAMO
N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1	ZINC000069847276	435972638	/nfs/dbraw/zinc/97/26/38/435972638.db2.gz	VSUCBJUBHUCMJL-ZDUSSCGKSA-N	1	1	338.433	0.442	50	30		ECEAMO
CCN1CC[NH+](CCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1	ZINC000073232292	436072078	/nfs/dbraw/zinc/07/20/78/436072078.db2.gz	KQGGQSVBSRUWEF-QGZVFWFLSA-N	1	1	335.496	0.706	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2(O)CCCC2)CC1	ZINC000089263703	436406744	/nfs/dbraw/zinc/40/67/44/436406744.db2.gz	IYMJFXHMSIQYCT-INIZCTEOSA-N	1	1	336.480	0.916	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1	ZINC000058355928	436624132	/nfs/dbraw/zinc/62/41/32/436624132.db2.gz	OEDYZPRDJZQUSC-UHFFFAOYSA-N	1	1	349.456	0.523	50	30		ECEAMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1	ZINC000107058109	436608173	/nfs/dbraw/zinc/60/81/73/436608173.db2.gz	MEWXNCJWENCFFB-WBVHZDCISA-N	1	1	349.479	0.233	50	30		ECEAMO
N#Cc1cc2n(n1)CCCN(c1nc(N3CCC[C@H](O)C3)cc[nH+]1)C2	ZINC000065435228	436661583	/nfs/dbraw/zinc/66/15/83/436661583.db2.gz	MGAIWEDVZHHVGY-HNNXBMFYSA-N	1	1	339.403	0.916	50	30		ECEAMO
Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1	ZINC000426613659	438067958	/nfs/dbraw/zinc/06/79/58/438067958.db2.gz	RNRQTYHUTPSNGQ-HUUCEWRRSA-N	1	1	331.420	0.505	50	30		ECEAMO
Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1	ZINC000426613659	438067962	/nfs/dbraw/zinc/06/79/62/438067962.db2.gz	RNRQTYHUTPSNGQ-HUUCEWRRSA-N	1	1	331.420	0.505	50	30		ECEAMO
C[N@H+](CCC(=O)N1CCC(C)(C#N)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000670473798	548019272	/nfs/dbraw/zinc/01/92/72/548019272.db2.gz	JULBESPZVDEEFR-CYBMUJFWSA-N	1	1	327.450	0.648	50	30		ECEAMO
C[N@@H+](CCC(=O)N1CCC(C)(C#N)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000670473798	548019276	/nfs/dbraw/zinc/01/92/76/548019276.db2.gz	JULBESPZVDEEFR-CYBMUJFWSA-N	1	1	327.450	0.648	50	30		ECEAMO
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1	ZINC000067712801	215191376	/nfs/dbraw/zinc/19/13/76/215191376.db2.gz	NSZDWFONUPDNEI-AWEZNQCLSA-N	1	1	333.436	0.948	50	30		ECEAMO
C[NH+]=C(NC[C@H](C(C)C)N1CCN(C)CC1)N(C)Cc1cnn(C)c1	ZINC000095397537	218329694	/nfs/dbraw/zinc/32/96/94/218329694.db2.gz	ZYLWCEJTMVKWPC-QGZVFWFLSA-N	1	1	349.527	0.699	50	30		ECEAMO
N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000069847273	435970707	/nfs/dbraw/zinc/97/07/07/435970707.db2.gz	VSUCBJUBHUCMJL-CYBMUJFWSA-N	1	1	338.433	0.442	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C[C@@H](C)O)CC1	ZINC000071871105	436022528	/nfs/dbraw/zinc/02/25/28/436022528.db2.gz	ISLYYWXDPLNNED-CYBMUJFWSA-N	1	1	333.388	0.471	50	30		ECEAMO
CN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059081	436189991	/nfs/dbraw/zinc/18/99/91/436189991.db2.gz	DQMQKTSNVQRIKU-XJKSGUPXSA-N	1	1	330.392	0.407	50	30		ECEAMO
C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)C1	ZINC000097756357	436545102	/nfs/dbraw/zinc/54/51/02/436545102.db2.gz	XKHGIMSZZZCSHL-HNNXBMFYSA-N	1	1	326.404	0.959	50	30		ECEAMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000069461859	436775071	/nfs/dbraw/zinc/77/50/71/436775071.db2.gz	QRBNSTZXSBPKAA-FUHWJXTLSA-N	1	1	342.399	0.895	50	30		ECEAMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000069461859	436775076	/nfs/dbraw/zinc/77/50/76/436775076.db2.gz	QRBNSTZXSBPKAA-FUHWJXTLSA-N	1	1	342.399	0.895	50	30		ECEAMO
CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC000670469773	548017721	/nfs/dbraw/zinc/01/77/21/548017721.db2.gz	AWIZCWHEJWLYQA-INIZCTEOSA-N	1	1	331.420	0.986	50	30		ECEAMO
COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000078602789	217083563	/nfs/dbraw/zinc/08/35/63/217083563.db2.gz	DEUUSDQRMQVQGD-HNNXBMFYSA-N	1	1	330.388	0.724	50	30		ECEAMO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1	ZINC000071896936	436026624	/nfs/dbraw/zinc/02/66/24/436026624.db2.gz	UPZRRJULQGTIGN-ROUUACIJSA-N	1	1	342.443	0.852	50	30		ECEAMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1	ZINC000069451529	436775058	/nfs/dbraw/zinc/77/50/58/436775058.db2.gz	MQJSXTKEQVHFDS-CQSZACIVSA-N	1	1	338.433	0.442	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCCS2(=O)=O)[N@H+](C)C1	ZINC000329045866	437307908	/nfs/dbraw/zinc/30/79/08/437307908.db2.gz	JLYHDFFLOBUXCX-MELADBBJSA-N	1	1	347.481	0.519	50	30		ECEAMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCCS2(=O)=O)[N@@H+](C)C1	ZINC000329045866	437307911	/nfs/dbraw/zinc/30/79/11/437307911.db2.gz	JLYHDFFLOBUXCX-MELADBBJSA-N	1	1	347.481	0.519	50	30		ECEAMO
C[NH+]1CCN([C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@H]2O)CC1	ZINC000022919607	212335163	/nfs/dbraw/zinc/33/51/63/212335163.db2.gz	CBDZSZHJTMORCD-QZTJIDSGSA-N	1	1	327.428	0.247	50	30		ECEAMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)CC1	ZINC000230185718	242246250	/nfs/dbraw/zinc/24/62/50/242246250.db2.gz	MBZVZEQGMPFCBX-ULQDDVLXSA-N	1	1	336.480	0.914	50	30		ECEAMO
COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(C#N)c2)C[C@@H]1CO	ZINC000091849318	218077300	/nfs/dbraw/zinc/07/73/00/218077300.db2.gz	UUIJWHIADBLUKN-HZPDHXFCSA-N	1	1	349.406	0.956	50	30		ECEAMO
C[N@@H+]1CCN2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000065398375	277115657	/nfs/dbraw/zinc/11/56/57/277115657.db2.gz	YYWAPJIVSUTEKQ-CQSZACIVSA-N	1	1	331.416	0.474	50	30		ECEAMO
C[N@H+]1CCN2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C[C@H]2C1	ZINC000065398375	277115658	/nfs/dbraw/zinc/11/56/58/277115658.db2.gz	YYWAPJIVSUTEKQ-CQSZACIVSA-N	1	1	331.416	0.474	50	30		ECEAMO
CN(C[C@@H](O)C[NH+]1CCN(C)CC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000071893790	436026166	/nfs/dbraw/zinc/02/61/66/436026166.db2.gz	YFPDJNFALBWVKQ-CQSZACIVSA-N	1	1	333.392	0.511	50	30		ECEAMO
N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c[nH]1	ZINC000077537923	436242165	/nfs/dbraw/zinc/24/21/65/436242165.db2.gz	KZRPRPQZQLDWLB-HZPDHXFCSA-N	1	1	325.372	0.647	50	30		ECEAMO
N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c[nH]1	ZINC000077537923	436242168	/nfs/dbraw/zinc/24/21/68/436242168.db2.gz	KZRPRPQZQLDWLB-HZPDHXFCSA-N	1	1	325.372	0.647	50	30		ECEAMO
CN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000076059072	436189062	/nfs/dbraw/zinc/18/90/62/436189062.db2.gz	DQMQKTSNVQRIKU-CZUORRHYSA-N	1	1	330.392	0.407	50	30		ECEAMO
CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091254468	436448190	/nfs/dbraw/zinc/44/81/90/436448190.db2.gz	BVFAZYMTASLHRQ-QZTJIDSGSA-N	1	1	344.459	0.732	50	30		ECEAMO
CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CO	ZINC000091254468	436448191	/nfs/dbraw/zinc/44/81/91/436448191.db2.gz	BVFAZYMTASLHRQ-QZTJIDSGSA-N	1	1	344.459	0.732	50	30		ECEAMO
CCN1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402637	436493533	/nfs/dbraw/zinc/49/35/33/436493533.db2.gz	ATXAHYMKPRBKPS-PBHICJAKSA-N	1	1	344.419	0.797	50	30		ECEAMO
Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)N(CC#N)CC#N)CCO2)n1	ZINC000069368337	436770282	/nfs/dbraw/zinc/77/02/82/436770282.db2.gz	GPXIDGFDZJCFIL-MRXNPFEDSA-N	1	1	344.419	0.467	50	30		ECEAMO
Cc1cc(C)n(C[C@H]2C[N@@H+](CCC(=O)N(CC#N)CC#N)CCO2)n1	ZINC000069368337	436770284	/nfs/dbraw/zinc/77/02/84/436770284.db2.gz	GPXIDGFDZJCFIL-MRXNPFEDSA-N	1	1	344.419	0.467	50	30		ECEAMO
C[C@@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)N1CC[NH+](C)CC1	ZINC000584892986	439625161	/nfs/dbraw/zinc/62/51/61/439625161.db2.gz	LZJBOJPXCSIFQI-HNNXBMFYSA-N	1	1	344.463	0.903	50	30		ECEAMO
CNC(=O)NC(=O)CCC[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000069591814	435951144	/nfs/dbraw/zinc/95/11/44/435951144.db2.gz	VXJYWFCDRLCHJP-UHFFFAOYSA-N	1	1	344.419	0.701	50	30		ECEAMO
Cc1ccc(S(=O)(=O)N/N=C2\C3CN4CC2(C)C[N@@H+](C3)CC4)cc1	ZINC000095483280	436495695	/nfs/dbraw/zinc/49/56/95/436495695.db2.gz	AAUFOBGBHBMHIK-FBMGVBCBSA-N	1	1	348.472	0.897	50	30		ECEAMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1	ZINC000328590425	437237445	/nfs/dbraw/zinc/23/74/45/437237445.db2.gz	MJYOTIUDJHBJJM-QGZVFWFLSA-N	1	1	347.463	0.829	50	30		ECEAMO
CCN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402636	436494924	/nfs/dbraw/zinc/49/49/24/436494924.db2.gz	ATXAHYMKPRBKPS-RHSMWYFYSA-N	1	1	344.419	0.797	50	30		ECEAMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1	ZINC000096418150	436531257	/nfs/dbraw/zinc/53/12/57/436531257.db2.gz	UZXAAIKSYRXBQA-OAHLLOKOSA-N	1	1	342.443	0.606	50	30		ECEAMO
CCOc1ccc(N2C(=O)C[C@@H](SC(=N)NC(N)=[NH2+])C2=O)cc1	ZINC000137997467	436659446	/nfs/dbraw/zinc/65/94/46/436659446.db2.gz	XHFLBGTZJJVJIW-SNVBAGLBSA-N	1	1	335.389	0.659	50	30		ECEAMO
CCOC(=O)C(C(=O)OCC)=C(N)N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000004687723	210248163	/nfs/dbraw/zinc/24/81/63/210248163.db2.gz	IFJQRQTUGKGSIH-YBFXNURJSA-N	1	1	348.403	0.973	50	30		ECEAMO
CS(=O)(=O)NC1CC[NH+](Cc2cc(C#CCO)cs2)CC1	ZINC000067967846	215261637	/nfs/dbraw/zinc/26/16/37/215261637.db2.gz	ZLXCMHUEHTXYPP-UHFFFAOYSA-N	1	1	328.459	0.606	50	30		ECEAMO
C/C(=N\OC[C@H](O)C[NH+]1CCOCC1)[C@@H]1COc2ccccc2O1	ZINC000020791681	212171471	/nfs/dbraw/zinc/17/14/71/212171471.db2.gz	DNMMGEQEIHMMDT-YAHCETOVSA-N	1	1	336.388	0.912	50	30		ECEAMO
C/C(=N\OC[C@@H](O)C[NH+]1CCOCC1)[C@H]1COc2ccccc2O1	ZINC000020791684	212172846	/nfs/dbraw/zinc/17/28/46/212172846.db2.gz	DNMMGEQEIHMMDT-VAYYJQKSSA-N	1	1	336.388	0.912	50	30		ECEAMO
Cc1[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1C#N	ZINC000095387713	218319927	/nfs/dbraw/zinc/31/99/27/218319927.db2.gz	GBLPVPHNRKHANK-XJKSGUPXSA-N	1	1	343.431	0.706	50	30		ECEAMO
Cc1[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1C#N	ZINC000095387713	218319928	/nfs/dbraw/zinc/31/99/28/218319928.db2.gz	GBLPVPHNRKHANK-XJKSGUPXSA-N	1	1	343.431	0.706	50	30		ECEAMO
CC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1	ZINC000069973875	258063722	/nfs/dbraw/zinc/06/37/22/258063722.db2.gz	PHHDDAOMFATXKY-HNNXBMFYSA-N	1	1	347.415	0.861	50	30		ECEAMO
CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000024675629	436137186	/nfs/dbraw/zinc/13/71/86/436137186.db2.gz	QDFPXJAFADMKBC-UHFFFAOYSA-N	1	1	349.460	0.654	50	30		ECEAMO
CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000024675629	436137194	/nfs/dbraw/zinc/13/71/94/436137194.db2.gz	QDFPXJAFADMKBC-UHFFFAOYSA-N	1	1	349.460	0.654	50	30		ECEAMO
CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1C#N	ZINC000096452875	436532230	/nfs/dbraw/zinc/53/22/30/436532230.db2.gz	MWJKIUCIHKGPBH-HNNXBMFYSA-N	1	1	333.392	0.511	50	30		ECEAMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC000110705464	436628031	/nfs/dbraw/zinc/62/80/31/436628031.db2.gz	SOLSHSWXSQJRSK-SJLPKXTDSA-N	1	1	342.443	0.710	50	30		ECEAMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000253421612	436843204	/nfs/dbraw/zinc/84/32/04/436843204.db2.gz	YWBKMMYWBUXIRI-BZUAXINKSA-N	1	1	335.448	0.733	50	30		ECEAMO
OCCC#Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000020994056	527531430	/nfs/dbraw/zinc/53/14/30/527531430.db2.gz	ZNVOYLJAHNIVKG-OALUTQOASA-N	1	1	330.428	0.298	50	30		ECEAMO
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1	ZINC000072162830	216051094	/nfs/dbraw/zinc/05/10/94/216051094.db2.gz	IGZBQTAYVQRTGR-KRWDZBQOSA-N	1	1	332.404	0.474	50	30		ECEAMO
C[N@H+]1CCN(C(=O)C2(C#N)CCOCC2)C[C@@]12CCNC(=O)CC2	ZINC000092098175	218118094	/nfs/dbraw/zinc/11/80/94/218118094.db2.gz	VEYXFJVCIXARTP-QGZVFWFLSA-N	1	1	334.420	0.120	50	30		ECEAMO
N#Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H](O)C2)cc1	ZINC000097294837	219009890	/nfs/dbraw/zinc/00/98/90/219009890.db2.gz	AMRMFISBHPGJIO-KRWDZBQOSA-N	1	1	329.400	0.856	50	30		ECEAMO
CN(C)c1[nH+]cc(CNS(=O)(=O)Cc2cccc(C#N)c2)n1C	ZINC000071914938	436030551	/nfs/dbraw/zinc/03/05/51/436030551.db2.gz	KBSHVNWEHNMBRK-UHFFFAOYSA-N	1	1	333.417	0.977	50	30		ECEAMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2(O)CCCC2)CC1	ZINC000089263702	436405692	/nfs/dbraw/zinc/40/56/92/436405692.db2.gz	IYMJFXHMSIQYCT-MRXNPFEDSA-N	1	1	336.480	0.916	50	30		ECEAMO
CCC#CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C(=O)NCC	ZINC000096130396	436515249	/nfs/dbraw/zinc/51/52/49/436515249.db2.gz	MUMFFWNNEIXVMF-HOTGVXAUSA-N	1	1	345.447	0.300	50	30		ECEAMO
[NH2+]=C(NCCN1CCN(Cc2ccccc2)CC1)NC[C@@H]1CCCO1	ZINC000058159540	436620710	/nfs/dbraw/zinc/62/07/10/436620710.db2.gz	RKQUJIZNFNFLHB-SFHVURJKSA-N	1	1	345.491	0.888	50	30		ECEAMO
C#CCN1CCC([N@H+]2CCC[C@H](CNC(=O)c3cnon3)C2)CC1	ZINC000067673668	215179285	/nfs/dbraw/zinc/17/92/85/215179285.db2.gz	XVQSSGRUQSMPFF-CQSZACIVSA-N	1	1	331.420	0.609	50	30		ECEAMO
COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO	ZINC000091452421	218008881	/nfs/dbraw/zinc/00/88/81/218008881.db2.gz	HKAOTEMOJQTMRY-IAGOWNOFSA-N	1	1	331.416	0.817	50	30		ECEAMO
CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000069878217	435975072	/nfs/dbraw/zinc/97/50/72/435975072.db2.gz	DXGALLIXUHTXFG-KRWDZBQOSA-N	1	1	331.416	0.642	50	30		ECEAMO
C#CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C	ZINC000072287728	436039641	/nfs/dbraw/zinc/03/96/41/436039641.db2.gz	CPFBEGLLFQTOGK-JKSUJKDBSA-N	1	1	333.436	0.847	50	30		ECEAMO
CS(=O)(=O)NCCC[N@H+]1CC[C@@H](CNc2ncccc2C#N)C1	ZINC000065531055	436666564	/nfs/dbraw/zinc/66/65/64/436666564.db2.gz	WIFXPCIYPYNFHT-ZDUSSCGKSA-N	1	1	337.449	0.626	50	30		ECEAMO
Cc1n[nH]c(C)c1C[N@@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H](O)C1	ZINC000097743490	219053394	/nfs/dbraw/zinc/05/33/94/219053394.db2.gz	QJRFIDFLDFNQKU-CQSZACIVSA-N	1	1	342.403	0.545	50	30		ECEAMO
Cc1n[nH]c(C)c1C[N@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H](O)C1	ZINC000097743490	219053397	/nfs/dbraw/zinc/05/33/97/219053397.db2.gz	QJRFIDFLDFNQKU-CQSZACIVSA-N	1	1	342.403	0.545	50	30		ECEAMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1	ZINC000158730941	225074358	/nfs/dbraw/zinc/07/43/58/225074358.db2.gz	JPJOTGHCXUJVMX-UHFFFAOYSA-N	1	1	327.381	0.386	50	30		ECEAMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1	ZINC000158730941	225074361	/nfs/dbraw/zinc/07/43/61/225074361.db2.gz	JPJOTGHCXUJVMX-UHFFFAOYSA-N	1	1	327.381	0.386	50	30		ECEAMO
CN(C(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)C(C)(C)C#N	ZINC000065475314	262499906	/nfs/dbraw/zinc/49/99/06/262499906.db2.gz	DNRDKILKDRPKJG-UHFFFAOYSA-N	1	1	333.436	0.815	50	30		ECEAMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300826	436041741	/nfs/dbraw/zinc/04/17/41/436041741.db2.gz	QXDRPGMGVFCKLY-SUMWQHHRSA-N	1	1	336.436	0.721	50	30		ECEAMO
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COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000253397764	436841404	/nfs/dbraw/zinc/84/14/04/436841404.db2.gz	VWFISJMMVOJDJZ-KGLIPLIRSA-N	1	1	330.454	0.262	50	30		ECEAMO
C=CC[C@@]1(CO)CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C1	ZINC000091943090	218092736	/nfs/dbraw/zinc/09/27/36/218092736.db2.gz	OZVCUWWYPGLCTO-GOSISDBHSA-N	1	1	346.479	0.966	50	30		ECEAMO
N#Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CO)c1	ZINC000257188927	436857366	/nfs/dbraw/zinc/85/73/66/436857366.db2.gz	NFGVDZKMJVDERS-DOTOQJQBSA-N	1	1	329.400	0.760	50	30		ECEAMO
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C[N@H+]1CCC[C@H](C(=O)NCC#CCOc2ccccc2C(N)=O)C1	ZINC000090743718	436437807	/nfs/dbraw/zinc/43/78/07/436437807.db2.gz	XWYQWWGVRKVPEA-AWEZNQCLSA-N	1	1	329.400	0.626	50	30		ECEAMO
COCC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n(C)c(=O)n1C	ZINC000048308554	436449011	/nfs/dbraw/zinc/44/90/11/436449011.db2.gz	GJKNEINMSGLBEH-UHFFFAOYSA-N	1	1	342.399	0.604	50	30		ECEAMO
COCC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n(C)c(=O)n1C	ZINC000048308554	436449014	/nfs/dbraw/zinc/44/90/14/436449014.db2.gz	GJKNEINMSGLBEH-UHFFFAOYSA-N	1	1	342.399	0.604	50	30		ECEAMO
CC/[NH+]=C1\NN[C@](O)(Cn2c(C)cc(COC)c(C#N)c2=O)S1	ZINC000096265825	436530922	/nfs/dbraw/zinc/53/09/22/436530922.db2.gz	DBRSQYBZSCATCF-AWEZNQCLSA-N	1	1	337.405	0.038	50	30		ECEAMO
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CNS(=O)(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000088523708	522190501	/nfs/dbraw/zinc/19/05/01/522190501.db2.gz	VCUPMWFAMCGXHQ-INIZCTEOSA-N	1	1	336.461	0.808	50	30		ECEAMO
N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1	ZINC000071811831	283215668	/nfs/dbraw/zinc/21/56/68/283215668.db2.gz	ZSWSNIQBHVTXOV-UHFFFAOYSA-N	1	1	327.388	0.622	50	30		ECEAMO
N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCNC2=O)CC1	ZINC000071811831	283215672	/nfs/dbraw/zinc/21/56/72/283215672.db2.gz	ZSWSNIQBHVTXOV-UHFFFAOYSA-N	1	1	327.388	0.622	50	30		ECEAMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1	ZINC000072300827	436041316	/nfs/dbraw/zinc/04/13/16/436041316.db2.gz	QXDRPGMGVFCKLY-CXAGYDPISA-N	1	1	336.436	0.721	50	30		ECEAMO
CN1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C1=O	ZINC000075131440	436152150	/nfs/dbraw/zinc/15/21/50/436152150.db2.gz	SZYQLWGGXRTSDK-KRWDZBQOSA-N	1	1	333.436	0.627	50	30		ECEAMO
N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c[nH]1	ZINC000077452984	436238860	/nfs/dbraw/zinc/23/88/60/436238860.db2.gz	JTKNUCDPKRLRLS-GDBMZVCRSA-N	1	1	325.372	0.647	50	30		ECEAMO
N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c[nH]1	ZINC000077452984	436238865	/nfs/dbraw/zinc/23/88/65/436238865.db2.gz	JTKNUCDPKRLRLS-GDBMZVCRSA-N	1	1	325.372	0.647	50	30		ECEAMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000077613503	436244678	/nfs/dbraw/zinc/24/46/78/436244678.db2.gz	MXBILIVXYANRLF-AEFFLSMTSA-N	1	1	340.427	0.769	50	30		ECEAMO
CCN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CCn3cc(C#N)cn3)C2)C1=O	ZINC000095402638	436494081	/nfs/dbraw/zinc/49/40/81/436494081.db2.gz	ATXAHYMKPRBKPS-WMLDXEAASA-N	1	1	344.419	0.797	50	30		ECEAMO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000097230962	436541125	/nfs/dbraw/zinc/54/11/25/436541125.db2.gz	YYOIKQBRHFRSLR-IAGOWNOFSA-N	1	1	346.406	0.601	50	30		ECEAMO
C=CCN1CC[C@@]2(CN(Cc3ncnn3CC)CC[N@H+]2C)CCC1=O	ZINC000107702671	436615035	/nfs/dbraw/zinc/61/50/35/436615035.db2.gz	OUVADKPFVJZEDR-GOSISDBHSA-N	1	1	346.479	0.983	50	30		ECEAMO
CC[NH+]=C(NC[C@@H]1CCC[NH+](C)C1)N[C@H]1CCC[N@H+](CCOC)C1	ZINC000108458785	436618938	/nfs/dbraw/zinc/61/89/38/436618938.db2.gz	ZUDCDLVQZYZYJR-IRXDYDNUSA-N	1	1	339.528	0.994	50	30		ECEAMO
C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1	ZINC000408516718	438581690	/nfs/dbraw/zinc/58/16/90/438581690.db2.gz	RFCLXJCZEXCVKJ-AWEZNQCLSA-N	1	1	326.360	0.595	50	30		ECEAMO
C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1	ZINC000408516718	438581692	/nfs/dbraw/zinc/58/16/92/438581692.db2.gz	RFCLXJCZEXCVKJ-AWEZNQCLSA-N	1	1	326.360	0.595	50	30		ECEAMO
C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CC1	ZINC000600846188	439710316	/nfs/dbraw/zinc/71/03/16/439710316.db2.gz	NDTNBXGWCDNRCS-AEFFLSMTSA-N	1	1	330.432	0.987	50	30		ECEAMO
CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)N1CCNC[C@H]1C#N)C2	ZINC000888097472	586349867	/nfs/dbraw/zinc/34/98/67/586349867.db2.gz	KRJZJXWJBISKRU-CQSZACIVSA-N	1	1	344.463	0.616	50	30		ECEAMO
C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000106781202	287086007	/nfs/dbraw/zinc/08/60/07/287086007.db2.gz	YMNRKCYWSIQGCD-RDTXWAMCSA-N	1	1	336.480	0.819	50	30		ECEAMO
C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)C1	ZINC000097756356	436544023	/nfs/dbraw/zinc/54/40/23/436544023.db2.gz	XKHGIMSZZZCSHL-OAHLLOKOSA-N	1	1	326.404	0.959	50	30		ECEAMO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000106642320	436600587	/nfs/dbraw/zinc/60/05/87/436600587.db2.gz	IZTGULYCSNXOAW-LSDHHAIUSA-N	1	1	345.399	0.925	50	30		ECEAMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCn1nc2ccccn2c1=O	ZINC000065542241	436666401	/nfs/dbraw/zinc/66/64/01/436666401.db2.gz	JTVNUHLKCPQBJQ-AWEZNQCLSA-N	1	1	327.388	0.100	50	30		ECEAMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCn1nc2ccccn2c1=O	ZINC000065542241	436666405	/nfs/dbraw/zinc/66/64/05/436666405.db2.gz	JTVNUHLKCPQBJQ-AWEZNQCLSA-N	1	1	327.388	0.100	50	30		ECEAMO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1	ZINC000242178796	436758653	/nfs/dbraw/zinc/75/86/53/436758653.db2.gz	XAYRVNXDDXSRCL-QWHCGFSZSA-N	1	1	325.438	0.936	50	30		ECEAMO
N#Cc1cc2c(ccn(CC[N@@H+]3CCCC[C@@H]3CO)c2=O)nc1O	ZINC000067674372	215178521	/nfs/dbraw/zinc/17/85/21/215178521.db2.gz	IJGVQXRQNNWTEU-CYBMUJFWSA-N	1	1	328.372	0.821	50	30		ECEAMO
COc1nccc(N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1C#N	ZINC000091416810	218001971	/nfs/dbraw/zinc/00/19/71/218001971.db2.gz	BPBIVXXADCOREP-ZIAGYGMSSA-N	1	1	332.404	0.339	50	30		ECEAMO
N#Cc1cnn(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000072294666	436043625	/nfs/dbraw/zinc/04/36/25/436043625.db2.gz	YXADKLYSHJZKTB-KRWDZBQOSA-N	1	1	339.399	0.772	50	30		ECEAMO
N#Cc1cnn(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000072294666	436043630	/nfs/dbraw/zinc/04/36/30/436043630.db2.gz	YXADKLYSHJZKTB-KRWDZBQOSA-N	1	1	339.399	0.772	50	30		ECEAMO
CN(C[C@@H](O)C[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000097104599	436538232	/nfs/dbraw/zinc/53/82/32/436538232.db2.gz	YJFOEGBARKORBD-OAHLLOKOSA-N	1	1	333.392	0.511	50	30		ECEAMO
N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)COCCO)CC2)cc1	ZINC000107364876	436611308	/nfs/dbraw/zinc/61/13/08/436611308.db2.gz	UIOHWPAZJNCKTH-GOSISDBHSA-N	1	1	333.432	0.436	50	30		ECEAMO
N#Cc1ccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)nc1	ZINC000065513155	436665437	/nfs/dbraw/zinc/66/54/37/436665437.db2.gz	SCGJQDHXAUMCLO-HNNXBMFYSA-N	1	1	329.404	0.546	50	30		ECEAMO
N#CC1CCN(c2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)CC1	ZINC000426479834	438060496	/nfs/dbraw/zinc/06/04/96/438060496.db2.gz	VWPOKRSNDKIEQH-ZDUSSCGKSA-N	1	1	329.404	0.901	50	30		ECEAMO
COCCn1nc2n(c1=O)CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000169783732	609747021	/nfs/dbraw/zinc/74/70/21/609747021.db2.gz	LECQQTQGYVJMDA-UHFFFAOYSA-N	1	1	327.388	0.621	50	30		ECEAMO
COCCn1nc2n(c1=O)CC[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000169783732	609747022	/nfs/dbraw/zinc/74/70/22/609747022.db2.gz	LECQQTQGYVJMDA-UHFFFAOYSA-N	1	1	327.388	0.621	50	30		ECEAMO