smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)cc2)c(O)c1	ZINC000004867027	170033438	/nfs/dbraw/zinc/03/34/38/170033438.db2.gz	ZJZFJLJEUYVXQM-CPNJWEJPSA-N	1	0	297.402	3.993	10	30		CHEERO
C=CCOc1ccc(Br)cc1C[NH2+]CCC	ZINC000006430877	170200907	/nfs/dbraw/zinc/20/09/07/170200907.db2.gz	NAHFBOMXIXHCRP-UHFFFAOYSA-N	1	0	284.197	3.514	10	30		CHEERO
CCN(CC)/C(=[NH+]/Nc1ccccc1)c1ccccc1	ZINC000006937412	170256796	/nfs/dbraw/zinc/25/67/96/170256796.db2.gz	UNNWLCDNFVQPMN-HTXNQAPBSA-N	1	0	267.376	3.802	10	30		CHEERO
C=CC[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)C1	ZINC000021983394	171344768	/nfs/dbraw/zinc/34/47/68/171344768.db2.gz	SOOKFCWCHCJXHV-LJQANCHMSA-N	1	0	263.384	3.863	10	30		CHEERO
Cn1cccc1[C@H](C#N)C1CC[NH+](Cc2ccccc2)CC1	ZINC000021987885	171345554	/nfs/dbraw/zinc/34/55/54/171345554.db2.gz	BFRLWQIDHZHABS-GOSISDBHSA-N	1	0	293.414	3.544	10	30		CHEERO
Cn1cccc1[C@@H](C#N)C1CC[NH+](Cc2ccccc2)CC1	ZINC000021987883	171345636	/nfs/dbraw/zinc/34/56/36/171345636.db2.gz	BFRLWQIDHZHABS-SFHVURJKSA-N	1	0	293.414	3.544	10	30		CHEERO
C[C@@H]([NH3+])c1ccc(Oc2cccc(F)c2C#N)cc1	ZINC000036306831	172598432	/nfs/dbraw/zinc/59/84/32/172598432.db2.gz	NPZIFJYESCSABX-SNVBAGLBSA-N	1	0	256.280	3.509	10	30		CHEERO
CC[C@@H]([NH2+]C)c1cccc(-c2cccc(C#N)c2)c1	ZINC000038070597	174081589	/nfs/dbraw/zinc/08/15/89/174081589.db2.gz	LNTVGQHUWNXMIQ-QGZVFWFLSA-N	1	0	250.345	3.896	10	30		CHEERO
C[C@@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	ZINC000045328709	175360317	/nfs/dbraw/zinc/36/03/17/175360317.db2.gz	DUGNQLMMMIZIFR-SJKOYZFVSA-N	1	0	284.790	3.885	10	30		CHEERO
C=C(C)COc1ccc(C[NH2+]CC)cc1C(F)(F)F	ZINC000071398635	176151733	/nfs/dbraw/zinc/15/17/33/176151733.db2.gz	MCEOUSRMCUIRPW-UHFFFAOYSA-N	1	0	273.298	3.770	10	30		CHEERO
C=C(Cl)COc1ccc(C)cc1C[NH2+]CC(C)C	ZINC000071407321	176156464	/nfs/dbraw/zinc/15/64/64/176156464.db2.gz	ZEYYQZXDEHSMHF-UHFFFAOYSA-N	1	0	267.800	3.872	10	30		CHEERO
C=C1c2ccc(OC)cc2[C@]23CCCC[C@@H]2[C@H]1[NH2+]CC3	ZINC000077302880	177250702	/nfs/dbraw/zinc/25/07/02/177250702.db2.gz	FIZGDZOQOVXYOC-NJAFHUGGSA-N	1	0	269.388	3.512	10	30	in-vitro	CHEERO
CCCn1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1	ZINC000091010873	260264498	/nfs/dbraw/zinc/26/44/98/260264498.db2.gz	YOFHWAZUTYVYQU-CQSZACIVSA-N	1	0	267.376	3.621	10	30		CHEERO
CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1	ZINC000185849969	327848047	/nfs/dbraw/zinc/84/80/47/327848047.db2.gz	HDYAHJGGWOVGHM-BJJXKVORSA-N	1	0	287.363	3.718	10	30		CHEERO
C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@H]1C#N	ZINC000300417645	332815153	/nfs/dbraw/zinc/81/51/53/332815153.db2.gz	WQRUUVNMWUVSGG-OSAQELSMSA-N	1	0	262.784	3.553	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000185759248	333148359	/nfs/dbraw/zinc/14/83/59/333148359.db2.gz	CINIDIUHQSQCBZ-GMXVVIOVSA-N	1	0	264.319	3.698	10	30		CHEERO
C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2	ZINC000186312822	333158425	/nfs/dbraw/zinc/15/84/25/333158425.db2.gz	AVHBWRJDTGYKBH-ULQDDVLXSA-N	1	0	295.467	3.685	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1	ZINC000248892323	334321250	/nfs/dbraw/zinc/32/12/50/334321250.db2.gz	SUAJUHJIFZARDY-FVCCEPFGSA-N	1	0	274.330	3.779	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(-n2ccnc2)c1	ZINC000248995618	334324218	/nfs/dbraw/zinc/32/42/18/334324218.db2.gz	OXJPSFVVMPGHNX-ZMSDIMECSA-N	1	0	294.402	3.605	10	30		CHEERO
C[NH2+][C@@H](C)c1ccc(N(CCC#N)C(C)C)c(Cl)c1	ZINC000061697626	522332359	/nfs/dbraw/zinc/33/23/59/522332359.db2.gz	JVJBFUXYOOQKIX-LBPRGKRZSA-N	1	0	279.815	3.749	10	30		CHEERO
C[C@@H](C(=O)Nc1cccc(Cl)c1)[N+](C)(C)C1CCCC1	ZINC000007760193	717105838	/nfs/dbraw/zinc/10/58/38/717105838.db2.gz	AVMWVIXJLKSXFR-LBPRGKRZSA-O	1	0	295.834	3.686	10	30		CHEERO
C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N+](C)(C)C1CCCC1	ZINC000007760562	717106045	/nfs/dbraw/zinc/10/60/45/717106045.db2.gz	DEPXJJLIWCAFDV-LBPRGKRZSA-O	1	0	295.834	3.686	10	30		CHEERO
Cc1cccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c1C	ZINC000029415037	717119057	/nfs/dbraw/zinc/11/90/57/717119057.db2.gz	QNFIOUMIHZMGOX-OAHLLOKOSA-O	1	0	289.443	3.649	10	30		CHEERO
CCCCCCC[C@](C)(C[NH3+])N(C)Cc1cscn1	ZINC000103441019	185840838	/nfs/dbraw/zinc/84/08/38/185840838.db2.gz	ARERUMGYVFJUDX-OAHLLOKOSA-N	1	0	283.485	3.653	10	30		CHEERO
CCCCCCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	ZINC000109194307	186245363	/nfs/dbraw/zinc/24/53/63/186245363.db2.gz	RWZFAJSTVSQTEY-JKSUJKDBSA-N	1	0	252.446	3.563	10	30		CHEERO
CCCCCCC[C@]1(C[NH2+]C2CC2)CCCOC1	ZINC000114800431	186644016	/nfs/dbraw/zinc/64/40/16/186644016.db2.gz	HGBFQFCKWJTOJT-MRXNPFEDSA-N	1	0	253.430	3.896	10	30		CHEERO
C[C@@H]([NH3+])c1ccc(Oc2cccc(C#N)c2)c(F)c1	ZINC000019873179	170902413	/nfs/dbraw/zinc/90/24/13/170902413.db2.gz	XSECQNUAPFNUSR-SNVBAGLBSA-N	1	0	256.280	3.509	10	30		CHEERO
N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000035174453	172028126	/nfs/dbraw/zinc/02/81/26/172028126.db2.gz	YSWJASJXHCMWRK-WMZOPIPTSA-N	1	0	284.403	3.592	10	30		CHEERO
C#CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1	ZINC000045945982	175388165	/nfs/dbraw/zinc/38/81/65/175388165.db2.gz	ZCMHHYIIPLTBSG-UHFFFAOYSA-N	1	0	269.388	3.679	10	30		CHEERO
C=C(Cl)COc1ccc(C)cc1C[NH2+]CCC	ZINC000071406290	176155947	/nfs/dbraw/zinc/15/59/47/176155947.db2.gz	MCCCFLJXCPFFLB-UHFFFAOYSA-N	1	0	253.773	3.626	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(-n2ccnc2)c1	ZINC000192913877	327879100	/nfs/dbraw/zinc/87/91/00/327879100.db2.gz	OXJPSFVVMPGHNX-ZOBUZTSGSA-N	1	0	294.402	3.605	10	30		CHEERO
C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2ccccc2c1	ZINC000028919622	326880974	/nfs/dbraw/zinc/88/09/74/326880974.db2.gz	BQSREVVZFGOIGV-LSDHHAIUSA-N	1	0	277.371	3.934	10	30		CHEERO
C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccc(C#N)cc1	ZINC000173989793	329152029	/nfs/dbraw/zinc/15/20/29/329152029.db2.gz	CZACGRPESPHFSS-CYBMUJFWSA-N	1	0	277.371	3.677	10	30		CHEERO
C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)s1	ZINC000245839578	329754572	/nfs/dbraw/zinc/75/45/72/329754572.db2.gz	CFZVXDGZEUNLKA-SLEUVZQESA-N	1	0	298.411	3.835	10	30		CHEERO
Cc1csc(C2CC[NH+](CC(C)(C)CCC#N)CC2)n1	ZINC000092787550	330413505	/nfs/dbraw/zinc/41/35/05/330413505.db2.gz	NOGLYQJHNWJQOM-UHFFFAOYSA-N	1	0	291.464	3.961	10	30		CHEERO
CC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)C#N)c(Cl)c1	ZINC000061697448	520178638	/nfs/dbraw/zinc/17/86/38/520178638.db2.gz	HWUQZZOGHNDTCV-NWDGAFQWSA-N	1	0	279.815	3.606	10	30		CHEERO
CC(C)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1	ZINC000007760634	717105948	/nfs/dbraw/zinc/10/59/48/717105948.db2.gz	POJCRNULKUOWLA-UHFFFAOYSA-O	1	0	289.443	3.768	10	30		CHEERO
CCCn1c(C)cc(C(=O)C[N+](C)(C)C2CCCC2)c1C	ZINC000057939947	717130993	/nfs/dbraw/zinc/13/09/93/717130993.db2.gz	KXPSOQZRUCXSEH-UHFFFAOYSA-N	1	0	291.459	3.717	10	30		CHEERO
CCCCCCC[C@]1(C[NH2+]CC(C)C)CCOC1	ZINC000110213503	186288420	/nfs/dbraw/zinc/28/84/20/186288420.db2.gz	WCRUCDBGKHFOBO-MRXNPFEDSA-N	1	0	255.446	3.999	10	30		CHEERO
CCCCCCCCC[N@H+](CCC)CC(=O)OC	ZINC000110448592	186297638	/nfs/dbraw/zinc/29/76/38/186297638.db2.gz	HKGXJRDYIHMQMY-UHFFFAOYSA-N	1	0	257.418	3.622	10	30		CHEERO
C[C@H](CCCC[NH3+])Nc1ccc(C#N)cc1C(F)(F)F	ZINC000336840127	335050926	/nfs/dbraw/zinc/05/09/26/335050926.db2.gz	POQZIIDBDJAFLD-SNVBAGLBSA-N	1	0	285.313	3.506	10	30		CHEERO
COc1ccc(CC2CC[NH+](CCCCC#N)CC2)cc1	ZINC000102400556	327672610	/nfs/dbraw/zinc/67/26/10/327672610.db2.gz	DZMKQSBQRFQHDU-UHFFFAOYSA-N	1	0	286.419	3.644	10	30		CHEERO
Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C#N	ZINC000042313478	328765174	/nfs/dbraw/zinc/76/51/74/328765174.db2.gz	QCQDVVNYOAFPJG-CQSZACIVSA-N	1	0	250.345	3.718	10	30		CHEERO
C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)s1	ZINC000183355203	329247397	/nfs/dbraw/zinc/24/73/97/329247397.db2.gz	CFZVXDGZEUNLKA-HUBLWGQQSA-N	1	0	298.411	3.835	10	30		CHEERO
CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000248740702	329898445	/nfs/dbraw/zinc/89/84/45/329898445.db2.gz	RAFFJOGDJYKSTD-OWCLPIDISA-N	1	0	260.356	3.744	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(-n2ccnc2)c1	ZINC000248995614	334324220	/nfs/dbraw/zinc/32/42/20/334324220.db2.gz	OXJPSFVVMPGHNX-UXLLHSPISA-N	1	0	294.402	3.605	10	30		CHEERO
CC(C)C[C@H](C[NH+](C)C)Nc1ccc(Cl)cc1C#N	ZINC000052857978	519341737	/nfs/dbraw/zinc/34/17/37/519341737.db2.gz	GXOJNCWCJAGVGD-CQSZACIVSA-N	1	0	279.815	3.600	10	30		CHEERO
C[C@H]1CCC[C@H](SCc2ccc(C#CC[NH3+])cc2)C1	ZINC000054694520	524210792	/nfs/dbraw/zinc/21/07/92/524210792.db2.gz	KIWVWQZASHRMAI-YOEHRIQHSA-N	1	0	273.445	3.809	10	30		CHEERO
C[C@@H](C#N)Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C	ZINC000062730869	526238885	/nfs/dbraw/zinc/23/88/85/526238885.db2.gz	JFVWNAPFQFLZPI-JTQLQIEISA-N	1	0	266.772	3.519	10	30		CHEERO
Cc1csc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000156971329	526442404	/nfs/dbraw/zinc/44/24/04/526442404.db2.gz	VBLQXVKRIVGJBG-INIZCTEOSA-N	1	0	297.427	3.703	10	30		CHEERO
CC[C@H]1C[NH+](CCCCC2(C#N)CCC2)C[C@H](CC)O1	ZINC000675079054	567025800	/nfs/dbraw/zinc/02/58/00/567025800.db2.gz	DVWGSPIRYKXBOV-HOTGVXAUSA-N	1	0	278.440	3.740	10	30		CHEERO
CCCCCCC[NH2+]Cc1nn(C)nc1-c1ccccc1	ZINC000103577622	567915651	/nfs/dbraw/zinc/91/56/51/567915651.db2.gz	UQOAUHJERQEKJK-UHFFFAOYSA-N	1	0	286.423	3.542	10	30		CHEERO
CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1	ZINC000675059799	570365728	/nfs/dbraw/zinc/36/57/28/570365728.db2.gz	MWVZOCDXRVIHEU-UIDBIOKJSA-N	1	0	265.441	3.654	10	30		CHEERO
CC(C)(C#N)CCC[NH2+][C@H]1CCCc2c(O)cccc21	ZINC000192356858	1123188198	/nfs/dbraw/zinc/18/81/98/1123188198.db2.gz	CSAQGVCJQJFWRE-HNNXBMFYSA-N	1	0	272.392	3.689	10	30		CHEERO
CCCCCCCCN1CCCC[C@H]1C[NH2+]C1CC1	ZINC000104449585	186006281	/nfs/dbraw/zinc/00/62/81/186006281.db2.gz	BDAFFHNZASYODJ-KRWDZBQOSA-N	1	0	266.473	3.953	10	30		CHEERO
C=C[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2c1cc2ccccc2[nH]1	ZINC000022001114	171348103	/nfs/dbraw/zinc/34/81/03/171348103.db2.gz	OOWNZMAMEIOHSE-PBFPGSCMSA-N	1	0	252.361	3.737	10	30		CHEERO
C=CCSc1nc2ccccc2n1C[NH+](CC)CC	ZINC000035575586	172271732	/nfs/dbraw/zinc/27/17/32/172271732.db2.gz	AYPANJVIBMBFOH-UHFFFAOYSA-N	1	0	275.421	3.614	10	30		CHEERO
C=C(C)COc1c(Cl)cc(C[C@@H]([NH3+])CC)cc1OC	ZINC000037723072	173641675	/nfs/dbraw/zinc/64/16/75/173641675.db2.gz	VGCCSWNDQQANFR-LBPRGKRZSA-N	1	0	283.799	3.583	10	30		CHEERO
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(C#N)c1	ZINC000037303483	260081868	/nfs/dbraw/zinc/08/18/68/260081868.db2.gz	WFTQOWVUHWJBLZ-DYVFJYSZSA-N	1	0	278.355	3.733	10	30		CHEERO
COc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC	ZINC000087597550	260215512	/nfs/dbraw/zinc/21/55/12/260215512.db2.gz	DVMIIIDPSCKYHS-CYBMUJFWSA-N	1	0	290.407	3.684	10	30		CHEERO
C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(Br)cc1	ZINC000298576824	263222657	/nfs/dbraw/zinc/22/26/57/263222657.db2.gz	QSVUDTJPTKMRNN-QWRGUYRKSA-N	1	0	281.197	3.792	10	30		CHEERO
COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c2ccccc12	ZINC000094692419	265249822	/nfs/dbraw/zinc/24/98/22/265249822.db2.gz	FCJFFDBKDRILQI-GUYCJALGSA-N	1	0	280.371	3.630	10	30		CHEERO
CC[C@@H](C)c1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1	ZINC000263194312	330048485	/nfs/dbraw/zinc/04/84/85/330048485.db2.gz	ZPCRIGIFTFZQFH-ICCXJUOJSA-N	1	0	281.350	3.580	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000193338631	333248267	/nfs/dbraw/zinc/24/82/67/333248267.db2.gz	MQBZKTORPIGPQM-INIZCTEOSA-N	1	0	275.440	3.920	10	30		CHEERO
C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1C#N	ZINC000054827606	524246856	/nfs/dbraw/zinc/24/68/56/524246856.db2.gz	YNYFIAYMGXINLJ-DJIMGWMZSA-N	1	0	256.393	3.680	10	30		CHEERO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@]23CCCc2ccccc23)o1	ZINC000151420084	526622966	/nfs/dbraw/zinc/62/29/66/526622966.db2.gz	OTFXTFQDGVKFEE-DNVCBOLYSA-N	1	0	292.382	3.535	10	30		CHEERO
C=CCn1cc(C[N@H+](Cc2ccncc2)[C@@H](C)CC)c(C)n1	ZINC000055271449	566868127	/nfs/dbraw/zinc/86/81/27/566868127.db2.gz	CLFLBUIAKIMDEW-HNNXBMFYSA-N	1	0	298.434	3.573	10	30		CHEERO
C[Si](C)(CCCC#N)[NH2+][Si](C)(C)CCCC#N	ZINC000225753120	567885280	/nfs/dbraw/zinc/88/52/80/567885280.db2.gz	UNNLXMDXGKSYKK-UHFFFAOYSA-N	1	0	267.525	3.594	10	30		CHEERO
Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)CC3	ZINC000329612767	1119451539	/nfs/dbraw/zinc/45/15/39/1119451539.db2.gz	DRVBOBLNKKEPLJ-CKEIUWERSA-N	1	0	293.414	3.616	10	30		CHEERO
CCC(CC)[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1	ZINC000104447027	186005097	/nfs/dbraw/zinc/00/50/97/186005097.db2.gz	PIZGXWIVVGSODT-ZDUSSCGKSA-N	1	0	260.381	3.503	10	30		CHEERO
CCCCCCCCC[N@H+](CC)CCC(=O)OC	ZINC000110044059	186283167	/nfs/dbraw/zinc/28/31/67/186283167.db2.gz	SXAGRYDQUFWGDB-UHFFFAOYSA-N	1	0	257.418	3.622	10	30		CHEERO
C=CCc1cc(C[NH2+]C2CCCC2)cc(OC)c1OCC	ZINC000013731164	170583357	/nfs/dbraw/zinc/58/33/57/170583357.db2.gz	IAHQKFLZRDCRIM-UHFFFAOYSA-N	1	0	289.419	3.855	10	30		CHEERO
COc1ccc(C#CCCCc2ccccc2)cc1CC[NH3+]	ZINC000013864204	170605572	/nfs/dbraw/zinc/60/55/72/170605572.db2.gz	HUDCDJZZEMXOSM-UHFFFAOYSA-N	1	0	293.410	3.571	10	30		CHEERO
C#CCOc1ccccc1C[NH2+][C@@H](C)CCC(C)C	ZINC000021804233	171326677	/nfs/dbraw/zinc/32/66/77/171326677.db2.gz	DNPYCEFNKCFOBS-HNNXBMFYSA-N	1	0	259.393	3.613	10	30		CHEERO
CC[NH2+][C@@H](C)c1cccc(-c2cccc(C#N)c2)c1	ZINC000038070571	174081514	/nfs/dbraw/zinc/08/15/14/174081514.db2.gz	RPQPYHAIEPDLDR-ZDUSSCGKSA-N	1	0	250.345	3.896	10	30		CHEERO
CC(C)[NH2+]Cc1cccc(-c2cccc(C#N)c2)c1	ZINC000038070567	174081574	/nfs/dbraw/zinc/08/15/74/174081574.db2.gz	USVIXMDDWUCDJY-UHFFFAOYSA-N	1	0	250.345	3.723	10	30		CHEERO
CC[NH2+][C@@H](C)c1ccccc1-c1cccc(C#N)c1	ZINC000038070560	174081619	/nfs/dbraw/zinc/08/16/19/174081619.db2.gz	RMMURRVBCJGGKD-ZDUSSCGKSA-N	1	0	250.345	3.896	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CC	ZINC000045945811	175387882	/nfs/dbraw/zinc/38/78/82/175387882.db2.gz	AFTSXMIPNZUFLH-AWEZNQCLSA-N	1	0	267.372	3.740	10	30		CHEERO
C[C@@H](CCCC[NH3+])Nc1ccc(C(F)(F)F)cc1C#N	ZINC000312405225	260003730	/nfs/dbraw/zinc/00/37/30/260003730.db2.gz	PQOCVBVMUJXOTN-JTQLQIEISA-N	1	0	285.313	3.506	10	30		CHEERO
CCCn1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1	ZINC000091010868	260264848	/nfs/dbraw/zinc/26/48/48/260264848.db2.gz	YOFHWAZUTYVYQU-AWEZNQCLSA-N	1	0	267.376	3.621	10	30		CHEERO
C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(Br)c1	ZINC000336722911	328158848	/nfs/dbraw/zinc/15/88/48/328158848.db2.gz	AZCGGOOCFQGUJN-WDEREUQCSA-N	1	0	281.197	3.792	10	30		CHEERO
CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1nccs1	ZINC000377933382	329035327	/nfs/dbraw/zinc/03/53/27/329035327.db2.gz	UWMAWZUHASMSRB-LBPRGKRZSA-N	1	0	263.410	3.610	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc(C#N)c1	ZINC000245894138	329757853	/nfs/dbraw/zinc/75/78/53/329757853.db2.gz	MTHFQPGUAIHYJG-JCGIZDLHSA-N	1	0	294.402	3.589	10	30		CHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1	ZINC000061890951	333474809	/nfs/dbraw/zinc/47/48/09/333474809.db2.gz	NUWSBNAEXMPXEJ-FPQWYMTMSA-N	1	0	268.404	3.995	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1	ZINC000248892327	334321192	/nfs/dbraw/zinc/32/11/92/334321192.db2.gz	SUAJUHJIFZARDY-NDBYEHHHSA-N	1	0	274.330	3.779	10	30		CHEERO
C[C@H](CCC#N)[NH2+][C@@H](C)c1ccccc1Br	ZINC000276342479	334799012	/nfs/dbraw/zinc/79/90/12/334799012.db2.gz	UHVAGIILNJVZBX-MNOVXSKESA-N	1	0	281.197	3.792	10	30		CHEERO
CCCCCCCC[N+]12CCC(CC1)[C@H](OC(C)=O)C2	ZINC000003171417	570215618	/nfs/dbraw/zinc/21/56/18/570215618.db2.gz	LLXCSQOEDSAFDP-LXPRWKDFSA-N	1	0	282.448	3.519	10	30		CHEERO
Cc1[nH]c2ccccc2c1C(=O)C[N+](C)(C)C1CCCC1	ZINC000007760279	717105926	/nfs/dbraw/zinc/10/59/26/717105926.db2.gz	CIGGYRLUWUYSLK-UHFFFAOYSA-O	1	0	285.411	3.678	10	30		CHEERO
C=C[C@H](C)[N@@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C	ZINC000249746979	717165063	/nfs/dbraw/zinc/16/50/63/717165063.db2.gz	NMURIVUKFUPPRV-HXPMCKFVSA-N	1	0	287.383	3.829	10	30		CHEERO
CCCCC[C@@H](C)[NH2+]Cc1ccccc1OCC#N	ZINC000034991291	171917114	/nfs/dbraw/zinc/91/71/14/171917114.db2.gz	IFAIOVQHEWMHMX-CQSZACIVSA-N	1	0	260.381	3.647	10	30		CHEERO
C[C@@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	ZINC000045328716	175360060	/nfs/dbraw/zinc/36/00/60/175360060.db2.gz	DUGNQLMMMIZIFR-PXAZEXFGSA-N	1	0	284.790	3.885	10	30		CHEERO
Cc1csc([C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174838366	329163759	/nfs/dbraw/zinc/16/37/59/329163759.db2.gz	QSRYOTHQVFTNRI-AWEZNQCLSA-N	1	0	291.464	3.961	10	30		CHEERO
C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000398188341	329438661	/nfs/dbraw/zinc/43/86/61/329438661.db2.gz	QOSGDPBQTANECT-CHWSQXEVSA-N	1	0	262.353	3.990	10	30		CHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000468486688	331435724	/nfs/dbraw/zinc/43/57/24/331435724.db2.gz	HYCDZBPFKPUWQJ-KPFVRQRISA-N	1	0	274.330	3.637	10	30		CHEERO
C[C@H](CCCC[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000336842550	335120878	/nfs/dbraw/zinc/12/08/78/335120878.db2.gz	UXCRUXSPNQOMBM-SNVBAGLBSA-N	1	0	285.313	3.506	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1	ZINC000061891012	333474703	/nfs/dbraw/zinc/47/47/03/333474703.db2.gz	CBEBDMAFFXSFPN-ZBFHGGJFSA-N	1	0	256.393	3.766	10	30		CHEERO
C=CCCOCc1c(C[NH2+]C)sc2cccc(F)c21	ZINC000052599357	518704197	/nfs/dbraw/zinc/70/41/97/518704197.db2.gz	BQQXPZAGYDYZEY-UHFFFAOYSA-N	1	0	279.380	3.853	10	30		CHEERO
CC#CC[C@@H]([NH2+]CCC)c1ccc(F)c(Cl)c1	ZINC000062792678	519345919	/nfs/dbraw/zinc/34/59/19/519345919.db2.gz	YFEXZUDYTGZYDC-CQSZACIVSA-N	1	0	253.748	3.933	10	30		CHEERO
CC[C@@H]([NH2+]CC#Cc1ccccc1)C1CCCCC1	ZINC000052338663	522812450	/nfs/dbraw/zinc/81/24/50/522812450.db2.gz	WIRQOWQPBSYLSK-GOSISDBHSA-N	1	0	255.405	3.987	10	30		CHEERO
Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000156980651	526442009	/nfs/dbraw/zinc/44/20/09/526442009.db2.gz	HUANGJINBNHEFI-INIZCTEOSA-N	1	0	297.427	3.703	10	30		CHEERO
N#C[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1	ZINC000054826335	526499353	/nfs/dbraw/zinc/49/93/53/526499353.db2.gz	RNZMFEXCZPTTRV-GOEBONIOSA-N	1	0	276.811	3.945	10	30		CHEERO
C=CCN(Cc1ccco1)Cc1ccc(-n2cccn2)cc1	ZINC000055401322	566870011	/nfs/dbraw/zinc/87/00/11/566870011.db2.gz	QHFJNZBMNVFFQW-UHFFFAOYSA-N	1	0	293.370	3.654	10	30		CHEERO
Cc1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1Cl	ZINC000007760660	717106243	/nfs/dbraw/zinc/10/62/43/717106243.db2.gz	HRIAOGJKCSSAJC-UHFFFAOYSA-O	1	0	295.834	3.606	10	30		CHEERO
Cc1ccc(C)c(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000015457857	717111975	/nfs/dbraw/zinc/11/19/75/717111975.db2.gz	ZPCCMMPBYGQIJI-HNNXBMFYSA-O	1	0	289.443	3.649	10	30		CHEERO
CCCCCCCCn1cc(C[C@@H]([NH3+])CC)cn1	ZINC000103682320	185854290	/nfs/dbraw/zinc/85/42/90/185854290.db2.gz	WHWGPXFILHJABW-HNNXBMFYSA-N	1	0	251.418	3.523	10	30		CHEERO
CCCCCCCC[N@H+](C)C1(CN)CCCCC1	ZINC000110106496	186285581	/nfs/dbraw/zinc/28/55/81/186285581.db2.gz	HWYBORZZYDNFBR-UHFFFAOYSA-N	1	0	254.462	3.940	10	30		CHEERO
CCCCCCC[N@H+](CC)C1(CN)CCCCC1	ZINC000110448749	186296914	/nfs/dbraw/zinc/29/69/14/186296914.db2.gz	JPKLUEAXTNWGQJ-UHFFFAOYSA-N	1	0	254.462	3.940	10	30		CHEERO
SCC[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000005138978	170069867	/nfs/dbraw/zinc/06/98/67/170069867.db2.gz	ATHYIAZESPZDMX-UHFFFAOYSA-N	1	0	257.402	3.619	10	30		CHEERO
CCCC[C@@H](CC)C[NH2+]Cc1ccccc1OCC#N	ZINC000034990769	171917073	/nfs/dbraw/zinc/91/70/73/171917073.db2.gz	SAUMZYVEXNRXIM-OAHLLOKOSA-N	1	0	274.408	3.895	10	30		CHEERO
CC[NH2+][C@H](C)c1ccccc1-c1cccc(C#N)c1	ZINC000038070561	174081417	/nfs/dbraw/zinc/08/14/17/174081417.db2.gz	RMMURRVBCJGGKD-CYBMUJFWSA-N	1	0	250.345	3.896	10	30		CHEERO
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(C#N)c1	ZINC000037303479	260081671	/nfs/dbraw/zinc/08/16/71/260081671.db2.gz	WFTQOWVUHWJBLZ-CXAGYDPISA-N	1	0	278.355	3.733	10	30		CHEERO
C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(Br)cc1	ZINC000298576818	263222874	/nfs/dbraw/zinc/22/28/74/263222874.db2.gz	QSVUDTJPTKMRNN-MNOVXSKESA-N	1	0	281.197	3.792	10	30		CHEERO
C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)c(F)c1	ZINC000093492034	265181153	/nfs/dbraw/zinc/18/11/53/265181153.db2.gz	FMAAMFQVQSGHLC-SECBINFHSA-N	1	0	278.327	3.749	10	30		CHEERO
CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1	ZINC000094896384	265270318	/nfs/dbraw/zinc/27/03/18/265270318.db2.gz	NOBICBHHEAPQPN-IAGOWNOFSA-N	1	0	256.393	3.667	10	30		CHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2ccccc21	ZINC000054829544	327905776	/nfs/dbraw/zinc/90/57/76/327905776.db2.gz	SMQNUWKMWNJNMT-WMLDXEAASA-N	1	0	250.345	3.622	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1	ZINC000248853701	329900802	/nfs/dbraw/zinc/90/08/02/329900802.db2.gz	PBDNPZSRSTUYPW-VMGRFDJRSA-N	1	0	272.367	3.875	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@H]2CCC23CCCC3)cc1C	ZINC000263265974	330051106	/nfs/dbraw/zinc/05/11/06/330051106.db2.gz	NSDRTUOOIPDYNP-HNNXBMFYSA-N	1	0	271.408	3.753	10	30		CHEERO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1F	ZINC000185862047	333150530	/nfs/dbraw/zinc/15/05/30/333150530.db2.gz	SNCVRVAHKRAGRR-KCQAQPDRSA-N	1	0	260.356	3.867	10	30		CHEERO
COc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3C#N)ccc2c1	ZINC000061891021	333474769	/nfs/dbraw/zinc/47/47/69/333474769.db2.gz	ABWCGPQVJPZMAL-FUHWJXTLSA-N	1	0	280.371	3.630	10	30		CHEERO
C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccccc1Br	ZINC000276342482	334799006	/nfs/dbraw/zinc/79/90/06/334799006.db2.gz	UHVAGIILNJVZBX-QWRGUYRKSA-N	1	0	281.197	3.792	10	30		CHEERO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nc(C#N)cs1	ZINC000386054644	336165662	/nfs/dbraw/zinc/16/56/62/336165662.db2.gz	WDAQQXVPBTYAKG-KWCYVHTRSA-N	1	0	277.437	3.565	10	30		CHEERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nc(C#N)cs1	ZINC000386054649	336165684	/nfs/dbraw/zinc/16/56/84/336165684.db2.gz	WDAQQXVPBTYAKG-XBFCOCLRSA-N	1	0	277.437	3.565	10	30		CHEERO
C=C(C)CN(CC)c1ccc([C@@H](C)[NH3+])cc1Cl	ZINC000061694518	518601644	/nfs/dbraw/zinc/60/16/44/518601644.db2.gz	LQZXZGJYNPXDQQ-LLVKDONJSA-N	1	0	252.789	3.762	10	30		CHEERO
CC#CCOc1c(C)cc(C[NH2+]C(C)(C)C)cc1C	ZINC000062728534	519343977	/nfs/dbraw/zinc/34/39/77/519343977.db2.gz	SUKCGPRLYNHLRS-UHFFFAOYSA-N	1	0	259.393	3.594	10	30		CHEERO
CCCCCCC[C@](C)([NH3+])c1noc(CCC)n1	ZINC000059329942	520068388	/nfs/dbraw/zinc/06/83/88/520068388.db2.gz	LXUSVUNVECHFON-AWEZNQCLSA-N	1	0	253.390	3.557	10	30		CHEERO
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1	ZINC000036991863	525648613	/nfs/dbraw/zinc/64/86/13/525648613.db2.gz	UVCQNWKYLYEFQW-CXAGYDPISA-N	1	0	278.355	3.733	10	30		CHEERO
C[C@H](C#N)Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C	ZINC000062730870	525924124	/nfs/dbraw/zinc/92/41/24/525924124.db2.gz	JFVWNAPFQFLZPI-SNVBAGLBSA-N	1	0	266.772	3.519	10	30		CHEERO
C=C(C)C[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000051753362	566862725	/nfs/dbraw/zinc/86/27/25/566862725.db2.gz	GLXPRQGJHBWXPC-JTQLQIEISA-N	1	0	254.171	3.676	10	30		CHEERO
C#CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC	ZINC000037711475	570411891	/nfs/dbraw/zinc/41/18/91/570411891.db2.gz	ILFRYOMVNBPVSC-UHFFFAOYSA-N	1	0	272.175	3.505	10	30		CHEERO
C#CCOc1cccc(C[NH2+]C2CCCCCCC2)c1	ZINC000045945895	570412519	/nfs/dbraw/zinc/41/25/19/570412519.db2.gz	YHYLOHXVEGBDOP-UHFFFAOYSA-N	1	0	271.404	3.901	10	30		CHEERO
Cc1cc(C)c(C(=O)C[N+](C)(C)C2CCCC2)cc1C	ZINC000007760347	717106084	/nfs/dbraw/zinc/10/60/84/717106084.db2.gz	KOBCAFDWAPJJTC-UHFFFAOYSA-N	1	0	274.428	3.814	10	30		CHEERO
Cc1cccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c1C	ZINC000029415035	717118769	/nfs/dbraw/zinc/11/87/69/717118769.db2.gz	QNFIOUMIHZMGOX-HNNXBMFYSA-O	1	0	289.443	3.649	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2)cc1C	ZINC000104162296	1126764422	/nfs/dbraw/zinc/76/44/22/1126764422.db2.gz	OLKUZBYKWRHREG-SJORKVTESA-N	1	0	279.387	3.586	10	30		CHEERO
CCCCCCC[C@@](C)([NH2+]C1CCCCCC1)C(N)=O	ZINC000103311763	185827938	/nfs/dbraw/zinc/82/79/38/185827938.db2.gz	GPRVBEQBZXNIKP-QGZVFWFLSA-N	1	0	282.472	3.903	10	30		CHEERO
C[C@H](C/C(NC1CCCCCC1)=[NH+]\N)C(C)(C)C	ZINC000104450204	186007169	/nfs/dbraw/zinc/00/71/69/186007169.db2.gz	APGYLJULVGUYKG-GFCCVEGCSA-N	1	0	253.434	3.643	10	30		CHEERO
CCCCCCCCCc1cccc(N2CC[NH2+]CC2)n1	ZINC000043504303	134905278	/nfs/dbraw/zinc/90/52/78/134905278.db2.gz	UPOXWKOGZDJMAW-UHFFFAOYSA-N	1	0	289.467	3.784	10	30		CHEERO
CCCCCCCCCCCCC/C=C\[C@H](O)[C@H]([NH3+])CO	ZINC000008035049	170315618	/nfs/dbraw/zinc/31/56/18/170315618.db2.gz	WWUZIQQURGPMPG-BXDGKWANSA-N	1	0	299.499	3.924	10	30	in-vivo	CHEERO
C=CC[NH2+]Cc1c(OCCC)ccc2ccccc21	ZINC000020930644	171281213	/nfs/dbraw/zinc/28/12/13/171281213.db2.gz	QTQCSUGWTIPWGL-UHFFFAOYSA-N	1	0	255.361	3.904	10	30		CHEERO
CCC[NH2+]Cc1ccccc1-c1cccc(C#N)c1	ZINC000038070577	174081542	/nfs/dbraw/zinc/08/15/42/174081542.db2.gz	KTZYMFMQECMTTR-UHFFFAOYSA-N	1	0	250.345	3.725	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@H](n2ccnc2CC)C1	ZINC000193338728	265386971	/nfs/dbraw/zinc/38/69/71/265386971.db2.gz	DYOIFQXQMKNJRW-INIZCTEOSA-N	1	0	275.440	3.829	10	30		CHEERO
CC(C)(C#N)CCC[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000393269814	329085271	/nfs/dbraw/zinc/08/52/71/329085271.db2.gz	BXXVAMJCWGHKES-UHFFFAOYSA-N	1	0	260.425	3.731	10	30		CHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccccc21	ZINC000054829542	330242573	/nfs/dbraw/zinc/24/25/73/330242573.db2.gz	SMQNUWKMWNJNMT-PBHICJAKSA-N	1	0	250.345	3.622	10	30		CHEERO
CCO[C@H]1C[C@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872829	333009572	/nfs/dbraw/zinc/00/95/72/333009572.db2.gz	LEYUTKJVHMRFJJ-HOTGVXAUSA-N	1	0	292.467	3.986	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1	ZINC000248892332	334321101	/nfs/dbraw/zinc/32/11/01/334321101.db2.gz	SUAJUHJIFZARDY-VOAKCMCISA-N	1	0	274.330	3.779	10	30		CHEERO
C=CCN(CC=C)c1ccc([C@@H](C)[NH3+])cc1Br	ZINC000061693852	518772416	/nfs/dbraw/zinc/77/24/16/518772416.db2.gz	XUTAFKUNYWPBPZ-LLVKDONJSA-N	1	0	295.224	3.647	10	30		CHEERO
CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000054825789	519269151	/nfs/dbraw/zinc/26/91/51/519269151.db2.gz	ZCVZUOGDNWUFEW-GOEBONIOSA-N	1	0	256.393	3.636	10	30		CHEERO
CC#CC[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]CC	ZINC000051665931	519346777	/nfs/dbraw/zinc/34/67/77/519346777.db2.gz	AJRSDEHAHAANBL-GFCCVEGCSA-N	1	0	270.203	3.927	10	30		CHEERO
C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1C#N	ZINC000054827603	524536618	/nfs/dbraw/zinc/53/66/18/524536618.db2.gz	YNYFIAYMGXINLJ-USXIJHARSA-N	1	0	256.393	3.680	10	30		CHEERO
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C#N)cc1	ZINC000036991865	525689353	/nfs/dbraw/zinc/68/93/53/525689353.db2.gz	UVCQNWKYLYEFQW-DYVFJYSZSA-N	1	0	278.355	3.733	10	30		CHEERO
N#CCCCCOc1c(Cl)cc(Cl)cc1C[NH3+]	ZINC000049578334	526444428	/nfs/dbraw/zinc/44/44/28/526444428.db2.gz	BVIHTORASSCVNK-UHFFFAOYSA-N	1	0	273.163	3.525	10	30		CHEERO
N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1	ZINC000054826336	526498873	/nfs/dbraw/zinc/49/88/73/526498873.db2.gz	RNZMFEXCZPTTRV-HOCLYGCPSA-N	1	0	276.811	3.945	10	30		CHEERO
N#C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21	ZINC000061362178	526512690	/nfs/dbraw/zinc/51/26/90/526512690.db2.gz	AKFLZYWOMRPCNY-KWCYVHTRSA-N	1	0	260.406	3.797	10	30		CHEERO
C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1Cc1cc(C)n[nH]1	ZINC000055224968	566868513	/nfs/dbraw/zinc/86/85/13/566868513.db2.gz	TZHAWTULZQVZKJ-IRXDYDNUSA-N	1	0	271.408	3.760	10	30		CHEERO
CCc1cccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415271	717118969	/nfs/dbraw/zinc/11/89/69/717118969.db2.gz	KNMSFVVJJRPTED-CQSZACIVSA-O	1	0	289.443	3.595	10	30		CHEERO
Cn1cc(C[N@@H+]2CCC[C@H]2/C=C/c2cccs2)cc1C#N	ZINC000365256831	1119791769	/nfs/dbraw/zinc/79/17/69/1119791769.db2.gz	OZYGFLKMTVXNFV-LFAOLKIESA-N	1	0	297.427	3.636	10	30		CHEERO
N#CCCCC[N@H+]1CCC[C@@H](c2cc(F)ccc2F)C1	ZINC000191685829	1125327421	/nfs/dbraw/zinc/32/74/21/1125327421.db2.gz	ASGZFGLOQVWWFM-CYBMUJFWSA-N	1	0	278.346	3.838	10	30		CHEERO
C#CC[NH2+][C@H](C)c1ccc(OCCC)c(OCCC)c1	ZINC000019875585	170904929	/nfs/dbraw/zinc/90/49/29/170904929.db2.gz	XWWYPMFKSAILOI-CQSZACIVSA-N	1	0	275.392	3.548	10	30		CHEERO
CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1OCC#N	ZINC000034991182	171917517	/nfs/dbraw/zinc/91/75/17/171917517.db2.gz	ODSSXOAYKOIXTD-HNNXBMFYSA-N	1	0	274.408	3.893	10	30		CHEERO
CCC[NH2+]Cc1cccc(-c2cccc(C#N)c2)c1	ZINC000038070566	174081495	/nfs/dbraw/zinc/08/14/95/174081495.db2.gz	STJGZEODWLCSLW-UHFFFAOYSA-N	1	0	250.345	3.725	10	30		CHEERO
C[C@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	ZINC000045328713	175360323	/nfs/dbraw/zinc/36/03/23/175360323.db2.gz	DUGNQLMMMIZIFR-SJCJKPOMSA-N	1	0	284.790	3.885	10	30		CHEERO
C#CCOc1cccc(C[NH2+]C2CCCCCC2)c1	ZINC000045945860	175387881	/nfs/dbraw/zinc/38/78/81/175387881.db2.gz	LWXCEJIRMHMJTK-UHFFFAOYSA-N	1	0	257.377	3.511	10	30		CHEERO
CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCCCC#N	ZINC000066896649	260249783	/nfs/dbraw/zinc/24/97/83/260249783.db2.gz	ITRDEVCMLCJZNA-MRXNPFEDSA-N	1	0	272.392	3.532	10	30		CHEERO
C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000181833361	261435780	/nfs/dbraw/zinc/43/57/80/261435780.db2.gz	JTBFRLVPMGAWJG-CVEARBPZSA-N	1	0	294.398	3.814	10	30		CHEERO
COc1ccccc1CC1CC[NH+](CCCCC#N)CC1	ZINC000102410385	327226902	/nfs/dbraw/zinc/22/69/02/327226902.db2.gz	GFPONPGXPWWKTL-UHFFFAOYSA-N	1	0	286.419	3.644	10	30		CHEERO
CC[C@H]([NH2+]CC#Cc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000192161590	329429996	/nfs/dbraw/zinc/42/99/96/329429996.db2.gz	ULISTKBLQPWYKI-SFHVURJKSA-N	1	0	294.354	3.687	10	30		CHEERO
CC(C)c1cccc(NC(=[NH2+])N[C@H]2COc3ccccc32)c1	ZINC000262685801	330026888	/nfs/dbraw/zinc/02/68/88/330026888.db2.gz	UYVHHZUNDWLKBV-INIZCTEOSA-N	1	0	295.386	3.670	10	30		CHEERO
C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400340706	331423484	/nfs/dbraw/zinc/42/34/84/331423484.db2.gz	IQXAVOKXSXYGDM-KFWWJZLASA-N	1	0	296.455	3.576	10	30		CHEERO
Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)c1	ZINC000251192631	334357974	/nfs/dbraw/zinc/35/79/74/334357974.db2.gz	OKOQJPMAVYBOID-BHYGNILZSA-N	1	0	256.393	3.598	10	30		CHEERO
N#C[C@@H]1CCCC[C@H]1[NH2+]C12CC3CC(CC(C3)C1)C2	ZINC000054822928	526500068	/nfs/dbraw/zinc/50/00/68/526500068.db2.gz	MEUULHNMXFVTHC-TZZLPOFGSA-N	1	0	258.409	3.627	10	30		CHEERO
N#C[C@H]1CCCC[C@@H]1[NH2+]C12CC3CC(CC(C3)C1)C2	ZINC000054822929	526512629	/nfs/dbraw/zinc/51/26/29/526512629.db2.gz	MEUULHNMXFVTHC-ZDNWDLKRSA-N	1	0	258.409	3.627	10	30		CHEERO
O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccs1	ZINC000007744588	567860308	/nfs/dbraw/zinc/86/03/08/567860308.db2.gz	HRMMQNMEJZZGNF-UHFFFAOYSA-N	1	0	294.399	3.509	10	30		CHEERO
CCCCCCCCCCCCCC(=O)NC(N)=[NH2+]	ZINC000103600279	567915551	/nfs/dbraw/zinc/91/55/51/567915551.db2.gz	MQQHKNPPDJSRCT-UHFFFAOYSA-N	1	0	269.433	3.697	10	30		CHEERO
C[C@H](C(=O)Nc1cccc(Cl)c1)[N+](C)(C)C1CCCC1	ZINC000007760194	717105957	/nfs/dbraw/zinc/10/59/57/717105957.db2.gz	AVMWVIXJLKSXFR-GFCCVEGCSA-O	1	0	295.834	3.686	10	30		CHEERO
CCc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1	ZINC000007760211	717106174	/nfs/dbraw/zinc/10/61/74/717106174.db2.gz	MFYOPJBKOVOSGN-AWEZNQCLSA-O	1	0	289.443	3.595	10	30		CHEERO
CC(C)(C#N)CCC[NH2+][C@@H]1CCCc2c(O)cccc21	ZINC000192356852	1123187742	/nfs/dbraw/zinc/18/77/42/1123187742.db2.gz	CSAQGVCJQJFWRE-OAHLLOKOSA-N	1	0	272.392	3.689	10	30		CHEERO
CCCCCCCC[NH2+]Cc1ccc(O)c(O)c1	ZINC000105807469	186072509	/nfs/dbraw/zinc/07/25/09/186072509.db2.gz	LAKVOXNXPNRWNA-UHFFFAOYSA-N	1	0	251.370	3.548	10	30		CHEERO
CCCCCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C	ZINC000106166959	186104236	/nfs/dbraw/zinc/10/42/36/186104236.db2.gz	PSTFALBMNYBDMR-JKSUJKDBSA-N	1	0	254.462	3.665	10	30		CHEERO
C=CCOc1c(C[NH2+]C(C)(C)C)cccc1OCC	ZINC000006539459	170211694	/nfs/dbraw/zinc/21/16/94/170211694.db2.gz	YDBVAEQDQSURDX-UHFFFAOYSA-N	1	0	263.381	3.538	10	30		CHEERO
CC(C)[NH2+]Cc1ccc(-c2cccc(C#N)c2)cc1	ZINC000038070541	174081446	/nfs/dbraw/zinc/08/14/46/174081446.db2.gz	YEVDUNJRSUCUOQ-UHFFFAOYSA-N	1	0	250.345	3.723	10	30		CHEERO
CCC[NH2+]Cc1ccc(-c2cccc(C#N)c2)cc1	ZINC000038070540	174081534	/nfs/dbraw/zinc/08/15/34/174081534.db2.gz	AZEKAPPZQSWYGF-UHFFFAOYSA-N	1	0	250.345	3.725	10	30		CHEERO
C#CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CC	ZINC000045946026	175388007	/nfs/dbraw/zinc/38/80/07/175388007.db2.gz	GDAGLKSLRAOYNG-UHFFFAOYSA-N	1	0	265.784	3.630	10	30		CHEERO
C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000336722910	328158824	/nfs/dbraw/zinc/15/88/24/328158824.db2.gz	AZCGGOOCFQGUJN-QWRGUYRKSA-N	1	0	281.197	3.792	10	30		CHEERO
C=CCC[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1	ZINC000178672284	329202076	/nfs/dbraw/zinc/20/20/76/329202076.db2.gz	ZWZXGBJJULMYSF-CVEARBPZSA-N	1	0	257.377	3.845	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc(C#N)c1	ZINC000181847181	329237959	/nfs/dbraw/zinc/23/79/59/329237959.db2.gz	MTHFQPGUAIHYJG-WBAXXEDZSA-N	1	0	294.402	3.589	10	30		CHEERO
Cc1sc(CNC(=[NH2+])Nc2ccccc2)nc1C(C)C	ZINC000262243229	330002444	/nfs/dbraw/zinc/00/24/44/330002444.db2.gz	AQKURJYQOUHHLL-UHFFFAOYSA-N	1	0	288.420	3.502	10	30		CHEERO
C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCCCC#N	ZINC000049578335	522111057	/nfs/dbraw/zinc/11/10/57/522111057.db2.gz	VBQQYTXWWLPBBE-UHFFFAOYSA-N	1	0	287.190	3.785	10	30		CHEERO
Cc1csc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000156701783	526331101	/nfs/dbraw/zinc/33/11/01/526331101.db2.gz	GPVPCMYDOXBYQY-UHFFFAOYSA-N	1	0	297.427	3.703	10	30		CHEERO
N#C[C@@H]1CCCCC[C@H]1[NH2+]CCCc1ccccc1	ZINC000054825603	526499589	/nfs/dbraw/zinc/49/95/89/526499589.db2.gz	PGCHNUBQOWNPCK-DLBZAZTESA-N	1	0	256.393	3.681	10	30		CHEERO
Cc1ccc(C(=O)C[N+](C)(C)C2CCCC2)c(C)c1	ZINC000057939938	717131039	/nfs/dbraw/zinc/13/10/39/717131039.db2.gz	ZHHPAKJVNVVFQJ-UHFFFAOYSA-N	1	0	260.401	3.505	10	30		CHEERO
N#C[C@H]1CCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000329850399	1119592948	/nfs/dbraw/zinc/59/29/48/1119592948.db2.gz	QFMKHAPXKQWDDE-ZTRSQXPZSA-N	1	0	293.414	3.672	10	30		CHEERO
CCCCCCCCC[N@H+](CC(=O)OC)C(C)C	ZINC000110464265	186296920	/nfs/dbraw/zinc/29/69/20/186296920.db2.gz	QPOMWGDLTYWCOF-UHFFFAOYSA-N	1	0	257.418	3.620	10	30		CHEERO
C[NH2+][C@@H](C)c1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000034666041	171854298	/nfs/dbraw/zinc/85/42/98/171854298.db2.gz	UFDIWAIHTDMJON-LBPRGKRZSA-N	1	0	252.317	3.631	10	30		CHEERO
C=CC[NH2+]Cc1c(OC(C)C)ccc2ccccc21	ZINC000040729646	174388167	/nfs/dbraw/zinc/38/81/67/174388167.db2.gz	JZDCYZRSVVLGCC-UHFFFAOYSA-N	1	0	255.361	3.903	10	30		CHEERO
CC[C@@H](C#N)Oc1c2ccccc2ccc1[C@@H](C)[NH3+]	ZINC000043538916	175064051	/nfs/dbraw/zinc/06/40/51/175064051.db2.gz	LUYOGGDWWDGOEH-YPMHNXCESA-N	1	0	254.333	3.540	10	30		CHEERO
C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000126720852	264215241	/nfs/dbraw/zinc/21/52/41/264215241.db2.gz	FUJJJMJXYGEHRF-GOSISDBHSA-N	1	0	297.402	3.702	10	30		CHEERO
Cc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1F	ZINC000094954935	265279288	/nfs/dbraw/zinc/27/92/88/265279288.db2.gz	LQDJSBXLTCZZIB-OAHLLOKOSA-N	1	0	267.347	3.836	10	30		CHEERO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000398188345	329438819	/nfs/dbraw/zinc/43/88/19/329438819.db2.gz	QOSGDPBQTANECT-STQMWFEESA-N	1	0	262.353	3.990	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1	ZINC000185772570	333148521	/nfs/dbraw/zinc/14/85/21/333148521.db2.gz	SUAJUHJIFZARDY-MROQNXINSA-N	1	0	274.330	3.779	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc2c(c1)CCC2	ZINC000251513145	334362591	/nfs/dbraw/zinc/36/25/91/334362591.db2.gz	IWAOLXVTXGDOCW-ZLIFDBKOSA-N	1	0	254.377	3.518	10	30		CHEERO
C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000252429784	334379680	/nfs/dbraw/zinc/37/96/80/334379680.db2.gz	FBJGZOWOUZHWPU-DOPJRALCSA-N	1	0	262.356	3.765	10	30		CHEERO
CC(C)[N@H+](C)CCCCNc1cc(Cl)ccc1C#N	ZINC000062785539	519616453	/nfs/dbraw/zinc/61/64/53/519616453.db2.gz	FQBVQILNAAMTCS-UHFFFAOYSA-N	1	0	279.815	3.744	10	30		CHEERO
C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C#N	ZINC000054827609	524536499	/nfs/dbraw/zinc/53/64/99/524536499.db2.gz	YNYFIAYMGXINLJ-UAGQMJEPSA-N	1	0	256.393	3.680	10	30		CHEERO
N#C[C@H]1CCCCC[C@H]1[NH2+]Cc1cc2c(s1)CCC2	ZINC000054826161	526512719	/nfs/dbraw/zinc/51/27/19/526512719.db2.gz	PDIIYUGNJRKLJY-UKRRQHHQSA-N	1	0	274.433	3.799	10	30		CHEERO
C=CCn1cc(C[N@H+](Cc2ccncc2)[C@H](C)CC)c(C)n1	ZINC000055271445	566869616	/nfs/dbraw/zinc/86/96/16/566869616.db2.gz	CLFLBUIAKIMDEW-OAHLLOKOSA-N	1	0	298.434	3.573	10	30		CHEERO
Cc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1C	ZINC000029415033	717118875	/nfs/dbraw/zinc/11/88/75/717118875.db2.gz	IHUBPYANBBGATO-OAHLLOKOSA-O	1	0	289.443	3.649	10	30		CHEERO
C[N+](C)(CC(=O)c1ccc(Cl)cc1)C1CCCC1	ZINC000057939996	717130939	/nfs/dbraw/zinc/13/09/39/717130939.db2.gz	GZCUAPYZQXQMLO-UHFFFAOYSA-N	1	0	266.792	3.542	10	30		CHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000329850398	1119592609	/nfs/dbraw/zinc/59/26/09/1119592609.db2.gz	QFMKHAPXKQWDDE-WEOZKBJRSA-N	1	0	293.414	3.672	10	30		CHEERO
N#Cc1ccc(OCC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000035174450	172027736	/nfs/dbraw/zinc/02/77/36/172027736.db2.gz	YSWJASJXHCMWRK-AEFFLSMTSA-N	1	0	284.403	3.592	10	30		CHEERO
C=C(Br)COc1ccc(C)cc1C[NH2+]C1CC1	ZINC000071406925	176156139	/nfs/dbraw/zinc/15/61/39/176156139.db2.gz	WHTVRRPKGRIMFY-UHFFFAOYSA-N	1	0	296.208	3.534	10	30		CHEERO
CC(C)(C)C1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1	ZINC000185830223	262309343	/nfs/dbraw/zinc/30/93/43/262309343.db2.gz	SOFBHLNYBBWNPF-UERKLNTKSA-N	1	0	292.467	3.626	10	30		CHEERO
CC(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1	ZINC000094896387	265271123	/nfs/dbraw/zinc/27/11/23/265271123.db2.gz	NOBICBHHEAPQPN-IRXDYDNUSA-N	1	0	256.393	3.667	10	30		CHEERO
Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C#N	ZINC000042313480	328765337	/nfs/dbraw/zinc/76/53/37/328765337.db2.gz	QCQDVVNYOAFPJG-AWEZNQCLSA-N	1	0	250.345	3.718	10	30		CHEERO
C#CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1	ZINC000045945581	330350074	/nfs/dbraw/zinc/35/00/74/330350074.db2.gz	YALKXVYDUHONJV-HNNXBMFYSA-N	1	0	265.356	3.549	10	30		CHEERO
C=C(C)COc1cc(OC)ccc1C[NH2+]C(C)(C)C	ZINC000062733128	518611507	/nfs/dbraw/zinc/61/15/07/518611507.db2.gz	QFWYUGRUUOQTGB-UHFFFAOYSA-N	1	0	263.381	3.538	10	30		CHEERO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2ccco2)c1	ZINC000156420117	526725902	/nfs/dbraw/zinc/72/59/02/526725902.db2.gz	BDFBRFWRIOUCQE-KRWDZBQOSA-N	1	0	296.370	3.757	10	30		CHEERO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2ccco2)c1	ZINC000156419997	526725949	/nfs/dbraw/zinc/72/59/49/526725949.db2.gz	BDFBRFWRIOUCQE-QGZVFWFLSA-N	1	0	296.370	3.757	10	30		CHEERO
C=CCN(Cc1ccco1)Cc1ccc2c(c1)OCCCO2	ZINC000055310586	566869647	/nfs/dbraw/zinc/86/96/47/566869647.db2.gz	GAQLEHZBTMJULB-UHFFFAOYSA-N	1	0	299.370	3.629	10	30		CHEERO
CN(C)c1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1	ZINC000111903493	717149229	/nfs/dbraw/zinc/14/92/29/717149229.db2.gz	CIETYSKLHNLYAN-XMHGGMMESA-N	1	0	282.411	3.700	10	30		CHEERO
C=CCc1cc(C[NH2+]CCC(C)C)cc(OC)c1OCC	ZINC000013724575	170582369	/nfs/dbraw/zinc/58/23/69/170582369.db2.gz	OWOSQRHWPFJQSC-UHFFFAOYSA-N	1	0	291.435	3.958	10	30		CHEERO
COc1ccc(CNC2=[NH+]C[C@@H](c3ccccc3)S2)cc1	ZINC000035082550	171967937	/nfs/dbraw/zinc/96/79/37/171967937.db2.gz	UMLVGSWHHBYYAL-INIZCTEOSA-N	1	0	298.411	3.629	10	30		CHEERO
C=CC[NH+](CC=C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	ZINC000053926792	175551928	/nfs/dbraw/zinc/55/19/28/175551928.db2.gz	QJJVQMVYTAUOFH-GJZGRUSLSA-N	1	0	263.425	3.692	10	30		CHEERO
C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1F	ZINC000302032608	261345951	/nfs/dbraw/zinc/34/59/51/261345951.db2.gz	SOOSMCDQEIWFJT-AWEZNQCLSA-N	1	0	297.377	3.630	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(-n2ccnc2)c1	ZINC000192913854	327879043	/nfs/dbraw/zinc/87/90/43/327879043.db2.gz	OXJPSFVVMPGHNX-YQQAZPJKSA-N	1	0	294.402	3.605	10	30		CHEERO
Cc1csc([C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174838358	329163968	/nfs/dbraw/zinc/16/39/68/329163968.db2.gz	QSRYOTHQVFTNRI-CQSZACIVSA-N	1	0	291.464	3.961	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1	ZINC000250816810	334351076	/nfs/dbraw/zinc/35/10/76/334351076.db2.gz	PEAYBJIJRBWORT-MHORFTMASA-N	1	0	268.404	3.995	10	30		CHEERO
C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H](C)c1nc2ccccc2s1	ZINC000192719728	335297211	/nfs/dbraw/zinc/29/72/11/335297211.db2.gz	SGXWBGLAONSVLK-IJLUTSLNSA-N	1	0	273.405	3.538	10	30		CHEERO
CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCSCC#N	ZINC000183131487	335865015	/nfs/dbraw/zinc/86/50/15/335865015.db2.gz	OKHQKMXYPCSWTI-INIZCTEOSA-N	1	0	288.460	3.937	10	30		CHEERO
C=CCOCc1c2ccccc2sc1C[NH2+]C1CC1	ZINC000052598715	518996117	/nfs/dbraw/zinc/99/61/17/518996117.db2.gz	OJOFDOKFJWRMFT-UHFFFAOYSA-N	1	0	273.401	3.856	10	30		CHEERO
C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C#N	ZINC000054827611	524249127	/nfs/dbraw/zinc/24/91/27/524249127.db2.gz	YNYFIAYMGXINLJ-OIISXLGYSA-N	1	0	256.393	3.680	10	30		CHEERO
C=C(C)C[NH2+][C@H](C)c1cccc(Br)c1	ZINC000051753364	566863157	/nfs/dbraw/zinc/86/31/57/566863157.db2.gz	GLXPRQGJHBWXPC-SNVBAGLBSA-N	1	0	254.171	3.676	10	30		CHEERO
Cc1ccc(C)c(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000015457858	717111597	/nfs/dbraw/zinc/11/15/97/717111597.db2.gz	ZPCCMMPBYGQIJI-OAHLLOKOSA-O	1	0	289.443	3.649	10	30		CHEERO
C=CCn1c(C)[nH+]c(-c2c(Cl)cccc2Cl)c1N	ZINC000103498445	185845275	/nfs/dbraw/zinc/84/52/75/185845275.db2.gz	NOQQTGUSSXTGSK-UHFFFAOYSA-N	1	0	282.174	3.934	10	30		CHEERO
C=CCN(C(=O)OC(C)(C)C)[C@H](C[NH+]1CCCC1)C(C)C	ZINC000091692627	180228665	/nfs/dbraw/zinc/22/86/65/180228665.db2.gz	ZFQLEKIHOKKTDJ-OAHLLOKOSA-N	1	0	296.455	3.530	10	30		CHEERO
COc1cc(C#N)ccc1Oc1ccc([C@@H](C)[NH3+])cc1F	ZINC000019873490	170903383	/nfs/dbraw/zinc/90/33/83/170903383.db2.gz	SHMYXNMYEIWYGG-SNVBAGLBSA-N	1	0	286.306	3.518	10	30		CHEERO
CCC[N@H+](CCCF)[C@H]1CCC2=C(CCCC2=O)C1	ZINC000027640666	171526039	/nfs/dbraw/zinc/52/60/39/171526039.db2.gz	NPIYYZMVYLRLON-AWEZNQCLSA-N	1	0	267.388	3.660	10	30		CHEERO
C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1OCC#N	ZINC000034991670	171918137	/nfs/dbraw/zinc/91/81/37/171918137.db2.gz	RAOQFLHEZRACNV-LZWOXQAQSA-N	1	0	272.392	3.503	10	30		CHEERO
C#CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC	ZINC000037711416	173631563	/nfs/dbraw/zinc/63/15/63/173631563.db2.gz	VCDAPCKCZXJCPG-UHFFFAOYSA-N	1	0	272.175	3.505	10	30		CHEERO
C[C@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCCCC#N	ZINC000037728906	173648555	/nfs/dbraw/zinc/64/85/55/173648555.db2.gz	PTLVRZJAPUJUSH-VIFPVBQESA-N	1	0	287.190	3.566	10	30		CHEERO
CC(C)[NH2+]Cc1ccccc1-c1cccc(C#N)c1	ZINC000038070578	174081531	/nfs/dbraw/zinc/08/15/31/174081531.db2.gz	QXANJHSAOPUKDG-UHFFFAOYSA-N	1	0	250.345	3.723	10	30		CHEERO
CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCCCC#N	ZINC000066896648	260249733	/nfs/dbraw/zinc/24/97/33/260249733.db2.gz	ITRDEVCMLCJZNA-INIZCTEOSA-N	1	0	272.392	3.532	10	30		CHEERO
Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](C)C2	ZINC000181149340	260572499	/nfs/dbraw/zinc/57/24/99/260572499.db2.gz	REOKNMJJTWRMOJ-YVEFUNNKSA-N	1	0	282.412	3.951	10	30		CHEERO
C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccc(C#N)cc1	ZINC000173989781	329152107	/nfs/dbraw/zinc/15/21/07/329152107.db2.gz	CZACGRPESPHFSS-ZDUSSCGKSA-N	1	0	277.371	3.677	10	30		CHEERO
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N	ZINC000174851066	329163931	/nfs/dbraw/zinc/16/39/31/329163931.db2.gz	UNSLSDVUBKMVLQ-OAHLLOKOSA-N	1	0	288.439	3.504	10	30		CHEERO
N#Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)c1	ZINC000035257967	330245209	/nfs/dbraw/zinc/24/52/09/330245209.db2.gz	DFTAKHFCVSKTMC-KGLIPLIRSA-N	1	0	282.309	3.769	10	30		CHEERO
C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400340708	332707323	/nfs/dbraw/zinc/70/73/23/332707323.db2.gz	IQXAVOKXSXYGDM-KKUMJFAQSA-N	1	0	296.455	3.576	10	30		CHEERO
C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)c(F)c1	ZINC000173427012	332971352	/nfs/dbraw/zinc/97/13/52/332971352.db2.gz	PELLWCNTDMZFCU-CYBMUJFWSA-N	1	0	271.310	3.667	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000193338643	333248397	/nfs/dbraw/zinc/24/83/97/333248397.db2.gz	MQBZKTORPIGPQM-MRXNPFEDSA-N	1	0	275.440	3.920	10	30		CHEERO
C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000252429785	334379712	/nfs/dbraw/zinc/37/97/12/334379712.db2.gz	FBJGZOWOUZHWPU-KKXDTOCCSA-N	1	0	262.356	3.765	10	30		CHEERO
C=C[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1Br	ZINC000062702354	519293996	/nfs/dbraw/zinc/29/39/96/519293996.db2.gz	NIKNLWXKZSEFKO-SNVBAGLBSA-N	1	0	296.208	3.654	10	30		CHEERO
CC[NH2+][C@@H](C)c1ccc(N(CC)CCC#N)c(Cl)c1	ZINC000061697427	520076299	/nfs/dbraw/zinc/07/62/99/520076299.db2.gz	BZYVLIOLIHZUEE-LBPRGKRZSA-N	1	0	279.815	3.750	10	30		CHEERO
N#Cc1ccc(C[NH2+]C[C@@H]2C[C@@]23CCCc2ccccc23)o1	ZINC000151420152	526623162	/nfs/dbraw/zinc/62/31/62/526623162.db2.gz	OTFXTFQDGVKFEE-KXBFYZLASA-N	1	0	292.382	3.535	10	30		CHEERO
C=CCOc1ccc(C[NH2+]C(C)(C)CC)cc1OCC	ZINC000013724851	570283868	/nfs/dbraw/zinc/28/38/68/570283868.db2.gz	RNMBCKNNAJUVIK-UHFFFAOYSA-N	1	0	277.408	3.928	10	30		CHEERO
Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1C	ZINC000029415030	717118995	/nfs/dbraw/zinc/11/89/95/717118995.db2.gz	IHUBPYANBBGATO-HNNXBMFYSA-O	1	0	289.443	3.649	10	30		CHEERO
C=CCOc1c(CCC)cc(C[NH2+]C)cc1CCC	ZINC000002029534	169769548	/nfs/dbraw/zinc/76/95/48/169769548.db2.gz	ABJHTFXLLDUVDR-UHFFFAOYSA-N	1	0	261.409	3.876	10	30		CHEERO
C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1C#N	ZINC000034665523	171853442	/nfs/dbraw/zinc/85/34/42/171853442.db2.gz	BEWWSKLCFVCIGE-LBPRGKRZSA-N	1	0	252.317	3.631	10	30		CHEERO
C=C(C)COc1c(Cl)cc(C[C@H]([NH3+])CC)cc1OC	ZINC000037723073	173641323	/nfs/dbraw/zinc/64/13/23/173641323.db2.gz	VGCCSWNDQQANFR-GFCCVEGCSA-N	1	0	283.799	3.583	10	30		CHEERO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-n2ccnc2)c1	ZINC000189914236	262177216	/nfs/dbraw/zinc/17/72/16/262177216.db2.gz	NAYGLVATYCCNDQ-OAHLLOKOSA-N	1	0	296.418	3.853	10	30		CHEERO
CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1	ZINC000094896386	265270861	/nfs/dbraw/zinc/27/08/61/265270861.db2.gz	NOBICBHHEAPQPN-DLBZAZTESA-N	1	0	256.393	3.667	10	30		CHEERO
CCc1cccc(NC(=[NH2+])N[C@H]2C[C@H]2c2cccc(F)c2)c1	ZINC000170911227	329072017	/nfs/dbraw/zinc/07/20/17/329072017.db2.gz	JIDRGAPDGCOJND-IRXDYDNUSA-N	1	0	297.377	3.671	10	30		CHEERO
Cc1csc(C2CC[NH+](CCCC(C)(C)C#N)CC2)n1	ZINC000174838335	329163960	/nfs/dbraw/zinc/16/39/60/329163960.db2.gz	HZOIHLKFZVQSKR-UHFFFAOYSA-N	1	0	291.464	3.961	10	30		CHEERO
C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1	ZINC000136221919	334149793	/nfs/dbraw/zinc/14/97/93/334149793.db2.gz	DZEJWDMAEJRFEY-SNVBAGLBSA-N	1	0	290.288	3.826	10	30		CHEERO
C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)C#N	ZINC000192719700	335297271	/nfs/dbraw/zinc/29/72/71/335297271.db2.gz	SGXWBGLAONSVLK-UTUOFQBUSA-N	1	0	273.405	3.538	10	30		CHEERO
CCC(C=O)(CC)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000051177320	521381557	/nfs/dbraw/zinc/38/15/57/521381557.db2.gz	GYVLVFJFZRILJV-CABCVRRESA-N	1	0	251.414	3.646	10	30		CHEERO
C=C(C)COCCNc1cc[nH+]c2c(C)cccc12	ZINC000301705914	526657853	/nfs/dbraw/zinc/65/78/53/526657853.db2.gz	IGSQQOLCOMSFNV-UHFFFAOYSA-N	1	0	256.349	3.548	10	30		CHEERO
CCc1ccc(C)[n+](CC(=O)c2cccc3ccccc32)c1	ZINC000007746516	567860508	/nfs/dbraw/zinc/86/05/08/567860508.db2.gz	JNWXZPGCWGENSK-UHFFFAOYSA-N	1	0	290.386	3.881	10	30		CHEERO
C=C(C)C[NH2+][C@@H](C)c1ccccc1Br	ZINC000088162703	567907498	/nfs/dbraw/zinc/90/74/98/567907498.db2.gz	QDDWCYVYXJZJNZ-JTQLQIEISA-N	1	0	254.171	3.676	10	30		CHEERO
C=C[C@@H](C)[N@@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C	ZINC000249746977	717164936	/nfs/dbraw/zinc/16/49/36/717164936.db2.gz	NMURIVUKFUPPRV-CWTRNNRKSA-N	1	0	287.383	3.829	10	30		CHEERO
Cc1csc(C2CC[NH+](CC#Cc3ccccc3)CC2)n1	ZINC000191978026	1125330265	/nfs/dbraw/zinc/33/02/65/1125330265.db2.gz	NQUJOQQZLVVSJH-UHFFFAOYSA-N	1	0	296.439	3.683	10	30		CHEERO
CCCCCCC[C@H](CN)[N@H+](CC1CC1)C(C)C	ZINC000103423897	185838841	/nfs/dbraw/zinc/83/88/41/185838841.db2.gz	HEFUKVWBPPCRTO-MRXNPFEDSA-N	1	0	254.462	3.795	10	30		CHEERO
C[C@@H](CCCC[NH3+])Nc1ccc(C#N)cc1C(F)(F)F	ZINC000336840126	335050860	/nfs/dbraw/zinc/05/08/60/335050860.db2.gz	POQZIIDBDJAFLD-JTQLQIEISA-N	1	0	285.313	3.506	10	30		CHEERO
C=C(C)C[C@@H]1CC[C@H](C)[N@H+]1[C@H](CO)c1ccccc1	ZINC000005723368	170133144	/nfs/dbraw/zinc/13/31/44/170133144.db2.gz	USPZNKIXCDTNCP-BHYGNILZSA-N	1	0	259.393	3.539	10	30		CHEERO
C=CCN(CC=C)c1ccc([C@H](C)[NH2+]CCC)cc1	ZINC000034836990	171882997	/nfs/dbraw/zinc/88/29/97/171882997.db2.gz	HRWYMTGDGOFQFJ-HNNXBMFYSA-N	1	0	258.409	3.926	10	30		CHEERO
CC[C@@H]([NH2+]C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000038070586	174081576	/nfs/dbraw/zinc/08/15/76/174081576.db2.gz	RMMVGPJTJJOPNN-QGZVFWFLSA-N	1	0	250.345	3.896	10	30		CHEERO
C=CC[NH2+]CCn1c2ccccc2c2ccccc21	ZINC000053521744	175549359	/nfs/dbraw/zinc/54/93/59/175549359.db2.gz	CVOJAVDFBYXRSX-UHFFFAOYSA-N	1	0	250.345	3.570	10	30		CHEERO
Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F	ZINC000221955936	262336758	/nfs/dbraw/zinc/33/67/58/262336758.db2.gz	HVRLWEAJSCBWQD-ZDUSSCGKSA-N	1	0	268.335	3.857	10	30		CHEERO
COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c2ccccc12	ZINC000094692416	265250112	/nfs/dbraw/zinc/25/01/12/265250112.db2.gz	FCJFFDBKDRILQI-CXAGYDPISA-N	1	0	280.371	3.630	10	30		CHEERO
C=CCC[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1	ZINC000178672273	329202221	/nfs/dbraw/zinc/20/22/21/329202221.db2.gz	ZWZXGBJJULMYSF-HOTGVXAUSA-N	1	0	257.377	3.845	10	30		CHEERO
CC(C)(C#N)C[NH2+]C1CC(c2ccccc2Cl)C1	ZINC000122285665	330418112	/nfs/dbraw/zinc/41/81/12/330418112.db2.gz	CGUSXADLZLYRRL-UHFFFAOYSA-N	1	0	262.784	3.725	10	30		CHEERO
CCO[C@@H]1C[C@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872819	333009705	/nfs/dbraw/zinc/00/97/05/333009705.db2.gz	LEYUTKJVHMRFJJ-JKSUJKDBSA-N	1	0	292.467	3.986	10	30		CHEERO
CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1	ZINC000224372371	333219706	/nfs/dbraw/zinc/21/97/06/333219706.db2.gz	CEMKFJFFZMVYDU-IXDOHACOSA-N	1	0	256.393	3.708	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc2c(c1)CCC2	ZINC000061891728	333475030	/nfs/dbraw/zinc/47/50/30/333475030.db2.gz	IWAOLXVTXGDOCW-VUCTXSBTSA-N	1	0	254.377	3.518	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1	ZINC000250816816	334351100	/nfs/dbraw/zinc/35/11/00/334351100.db2.gz	PEAYBJIJRBWORT-XSLAGTTESA-N	1	0	268.404	3.995	10	30		CHEERO
C=CCc1ccccc1O[C@H](C)CCC[NH2+]CCC	ZINC000053042903	519147898	/nfs/dbraw/zinc/14/78/98/519147898.db2.gz	TVUDKIAOSBYNFO-OAHLLOKOSA-N	1	0	261.409	3.962	10	30		CHEERO
CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H]([NH3+])CO	ZINC000032785905	519986269	/nfs/dbraw/zinc/98/62/69/519986269.db2.gz	WWUZIQQURGPMPG-GSNRFKGPSA-N	1	0	299.499	3.924	10	30		CHEERO
CC[NH2+][C@H](C)c1ccc(N(CC)CCC#N)c(Cl)c1	ZINC000061697428	520178367	/nfs/dbraw/zinc/17/83/67/520178367.db2.gz	BZYVLIOLIHZUEE-GFCCVEGCSA-N	1	0	279.815	3.750	10	30		CHEERO
C[C@H]1CCC[C@@H](SCc2cc(C#CC[NH3+])cs2)C1	ZINC000054694601	524154235	/nfs/dbraw/zinc/15/42/35/524154235.db2.gz	VLMJVVKCXRSJQP-GXTWGEPZSA-N	1	0	279.474	3.870	10	30		CHEERO
N#C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc2c(s1)CCC2	ZINC000054826164	526497607	/nfs/dbraw/zinc/49/76/07/526497607.db2.gz	PDIIYUGNJRKLJY-ZFWWWQNUSA-N	1	0	274.433	3.799	10	30		CHEERO
N#C[C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1	ZINC000054827792	526511966	/nfs/dbraw/zinc/51/19/66/526511966.db2.gz	QPEJNQIGNLWYAB-QBPKDAKJSA-N	1	0	254.377	3.605	10	30		CHEERO
N#C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2sccc21	ZINC000061362176	526512580	/nfs/dbraw/zinc/51/25/80/526512580.db2.gz	AKFLZYWOMRPCNY-MRVWCRGKSA-N	1	0	260.406	3.797	10	30		CHEERO
Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c(C)c1	ZINC000015457869	717111810	/nfs/dbraw/zinc/11/18/10/717111810.db2.gz	URVIBODBJVFHFS-HNNXBMFYSA-O	1	0	289.443	3.649	10	30		CHEERO
CC[N+](/C=C\C(=O)c1ccc(Cl)cc1)(CC)CC	ZINC000035045829	717125278	/nfs/dbraw/zinc/12/52/78/717125278.db2.gz	LLDHMIXGMLVQTI-QXMHVHEDSA-N	1	0	266.792	3.913	10	30		CHEERO
Cc1ccc(C)c(C(=O)C[N+](C)(C)C2CCCC2)c1	ZINC000057939926	717131066	/nfs/dbraw/zinc/13/10/66/717131066.db2.gz	WZAYRSWHVZESHF-UHFFFAOYSA-N	1	0	260.401	3.505	10	30		CHEERO
C=C[C@H](C)[N@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C	ZINC000249746976	717165150	/nfs/dbraw/zinc/16/51/50/717165150.db2.gz	NMURIVUKFUPPRV-BUXKBTBVSA-N	1	0	287.383	3.829	10	30		CHEERO
Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)CC3	ZINC000329612773	1119451320	/nfs/dbraw/zinc/45/13/20/1119451320.db2.gz	DRVBOBLNKKEPLJ-VBQJREDUSA-N	1	0	293.414	3.616	10	30		CHEERO
CCCCCCCCCCCC[NH2+]CCC(=O)NC	ZINC000103469319	185844210	/nfs/dbraw/zinc/84/42/10/185844210.db2.gz	DOGYIROFDHBQIA-UHFFFAOYSA-N	1	0	270.461	3.633	10	30		CHEERO
C[C@@H](C/C(NC1CCCCCC1)=[NH+]\N)C(C)(C)C	ZINC000104450201	186006721	/nfs/dbraw/zinc/00/67/21/186006721.db2.gz	APGYLJULVGUYKG-LBPRGKRZSA-N	1	0	253.434	3.643	10	30		CHEERO
C[C@H]([NH3+])c1ccc(Oc2cccc(C#N)c2)c(F)c1	ZINC000019873180	170902905	/nfs/dbraw/zinc/90/29/05/170902905.db2.gz	XSECQNUAPFNUSR-JTQLQIEISA-N	1	0	256.280	3.509	10	30		CHEERO
C=CC[NH2+]Cc1ccc(OCCC)c(Br)c1	ZINC000020925963	171280425	/nfs/dbraw/zinc/28/04/25/171280425.db2.gz	KPVMQXXQLNHOCC-UHFFFAOYSA-N	1	0	284.197	3.514	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1C	ZINC000170911146	329072126	/nfs/dbraw/zinc/07/21/26/329072126.db2.gz	YCFGZLHFBDKSHF-IAGOWNOFSA-N	1	0	297.377	3.725	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1	ZINC000248853695	329900729	/nfs/dbraw/zinc/90/07/29/329900729.db2.gz	PBDNPZSRSTUYPW-ISTRZQFTSA-N	1	0	272.367	3.875	10	30		CHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000061892003	333475016	/nfs/dbraw/zinc/47/50/16/333475016.db2.gz	KWRNGXDERHVDOQ-XCAIRMDXSA-N	1	0	274.795	3.868	10	30		CHEERO
CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000248937121	334322304	/nfs/dbraw/zinc/32/23/04/334322304.db2.gz	YKIYZESMVNVDBC-YSVLISHTSA-N	1	0	256.393	3.982	10	30		CHEERO
C[C@H](C#N)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1	ZINC000249116537	334328162	/nfs/dbraw/zinc/32/81/62/334328162.db2.gz	SGXWBGLAONSVLK-WOPDTQHZSA-N	1	0	273.405	3.538	10	30		CHEERO
C[C@@H]([NH2+]C[C@H](C)C#N)[C@H](C)c1nc2ccccc2s1	ZINC000249116530	334328212	/nfs/dbraw/zinc/32/82/12/334328212.db2.gz	SGXWBGLAONSVLK-GRYCIOLGSA-N	1	0	273.405	3.538	10	30		CHEERO
CC[NH2+]Cc1cc(Cl)ccc1OCCCCC#N	ZINC000049578232	519989667	/nfs/dbraw/zinc/98/96/67/519989667.db2.gz	ZKYWDMJDFIANMF-UHFFFAOYSA-N	1	0	266.772	3.522	10	30		CHEERO
CC[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C)cc1Cl	ZINC000062730312	521803008	/nfs/dbraw/zinc/80/30/08/521803008.db2.gz	HMDGJSSYMPTYAP-LBPRGKRZSA-N	1	0	280.799	3.909	10	30		CHEERO
N#C[C@H]1CCCCC[C@H]1[NH2+]CCCc1ccccc1	ZINC000054825601	526511989	/nfs/dbraw/zinc/51/19/89/526511989.db2.gz	PGCHNUBQOWNPCK-IAGOWNOFSA-N	1	0	256.393	3.681	10	30		CHEERO
N#C[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21	ZINC000054825438	526512180	/nfs/dbraw/zinc/51/21/80/526512180.db2.gz	YUKFPUHUEGSRCF-DJIMGWMZSA-N	1	0	254.377	3.736	10	30		CHEERO
N#C[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1	ZINC000054826334	526512273	/nfs/dbraw/zinc/51/22/73/526512273.db2.gz	RNZMFEXCZPTTRV-ZBFHGGJFSA-N	1	0	276.811	3.945	10	30		CHEERO
N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cc2c(s1)CCC2	ZINC000054826162	526512278	/nfs/dbraw/zinc/51/22/78/526512278.db2.gz	PDIIYUGNJRKLJY-HIFRSBDPSA-N	1	0	274.433	3.799	10	30		CHEERO
C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccccc1	ZINC000036097675	566994183	/nfs/dbraw/zinc/99/41/83/566994183.db2.gz	IXQKHHLKYNFDSL-GOSISDBHSA-N	1	0	299.414	3.917	10	30		CHEERO
CCCCCCCC[N+]12CCC(CC1)[C@@H](OC(C)=O)C2	ZINC000003171419	567852065	/nfs/dbraw/zinc/85/20/65/567852065.db2.gz	LLXCSQOEDSAFDP-ADKAHSJRSA-N	1	0	282.448	3.519	10	30		CHEERO
C[NH+]1CCC(=NN(Cc2ccccc2)c2ccccc2)CC1	ZINC000725268739	567924085	/nfs/dbraw/zinc/92/40/85/567924085.db2.gz	KQIXKPXHANILLG-UHFFFAOYSA-N	1	0	293.414	3.775	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+]C1CCCC1	ZINC000045945617	570412604	/nfs/dbraw/zinc/41/26/04/570412604.db2.gz	DMFHIKVEFHPIEJ-UHFFFAOYSA-N	1	0	279.383	3.884	10	30		CHEERO
Cc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c(C)c1	ZINC000015457870	717111752	/nfs/dbraw/zinc/11/17/52/717111752.db2.gz	URVIBODBJVFHFS-OAHLLOKOSA-O	1	0	289.443	3.649	10	30		CHEERO
CCCCCCCO[C@H](C[NH3+])c1ccc(OC)cc1	ZINC000103444750	185841085	/nfs/dbraw/zinc/84/10/85/185841085.db2.gz	JZDLRWHCNXNDSZ-MRXNPFEDSA-N	1	0	265.397	3.682	10	30		CHEERO
CCC(CC)[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1	ZINC000104447024	186004949	/nfs/dbraw/zinc/00/49/49/186004949.db2.gz	PIZGXWIVVGSODT-CYBMUJFWSA-N	1	0	260.381	3.503	10	30		CHEERO
CCCCCCCC[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)C	ZINC000106168016	186104422	/nfs/dbraw/zinc/10/44/22/186104422.db2.gz	MWBXUPXTLGRBIN-HZPDHXFCSA-N	1	0	254.462	3.665	10	30		CHEERO
C=CC[NH2+]Cc1cc(Br)ccc1OCCC	ZINC000020929299	171281017	/nfs/dbraw/zinc/28/10/17/171281017.db2.gz	YKUDVRYVOPYBTB-UHFFFAOYSA-N	1	0	284.197	3.514	10	30		CHEERO
C=C(C)COc1ccc2ccccc2c1C[C@H](C)[NH3+]	ZINC000037727428	173646201	/nfs/dbraw/zinc/64/62/01/173646201.db2.gz	UJRCFUSJVQMCPK-ZDUSSCGKSA-N	1	0	255.361	3.684	10	30		CHEERO
CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1nccs1	ZINC000377933381	329035321	/nfs/dbraw/zinc/03/53/21/329035321.db2.gz	UWMAWZUHASMSRB-GFCCVEGCSA-N	1	0	263.410	3.610	10	30		CHEERO
Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2C[C@@H]2c2cccc(F)c2)c1	ZINC000170911122	329072100	/nfs/dbraw/zinc/07/21/00/329072100.db2.gz	YNOBMUOPJFWZJQ-IAGOWNOFSA-N	1	0	297.377	3.725	10	30		CHEERO
CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2nccs2)C1	ZINC000174838436	329163884	/nfs/dbraw/zinc/16/38/84/329163884.db2.gz	WESTYKZBHUYDAY-ZDUSSCGKSA-N	1	0	277.437	3.652	10	30		CHEERO
C=CCC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1	ZINC000178672263	329202021	/nfs/dbraw/zinc/20/20/21/329202021.db2.gz	ZWZXGBJJULMYSF-HZPDHXFCSA-N	1	0	257.377	3.845	10	30		CHEERO
CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000185710187	333147031	/nfs/dbraw/zinc/14/70/31/333147031.db2.gz	YKIYZESMVNVDBC-JLJPHGGASA-N	1	0	256.393	3.982	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000236542056	333373592	/nfs/dbraw/zinc/37/35/92/333373592.db2.gz	UEJILYPPLWLRBZ-BBWFWOEESA-N	1	0	265.441	3.748	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc2c(c1)CCC2	ZINC000251513142	334362547	/nfs/dbraw/zinc/36/25/47/334362547.db2.gz	IWAOLXVTXGDOCW-AFAVFJNCSA-N	1	0	254.377	3.518	10	30		CHEERO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nc(C#N)cs1	ZINC000386054647	336165458	/nfs/dbraw/zinc/16/54/58/336165458.db2.gz	WDAQQXVPBTYAKG-MRVWCRGKSA-N	1	0	277.437	3.565	10	30		CHEERO
C=C[C@H](C)Oc1ccc(OC)cc1C[NH2+]C(C)(C)C	ZINC000062727574	519299758	/nfs/dbraw/zinc/29/97/58/519299758.db2.gz	RWPKEXKVCVCSLM-LBPRGKRZSA-N	1	0	263.381	3.537	10	30		CHEERO
CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054825787	519269033	/nfs/dbraw/zinc/26/90/33/519269033.db2.gz	ZCVZUOGDNWUFEW-GDBMZVCRSA-N	1	0	256.393	3.636	10	30		CHEERO
C=C[C@H](C)Oc1c(Cl)cc(C[C@H]([NH3+])CC)cc1OC	ZINC000052144059	519300937	/nfs/dbraw/zinc/30/09/37/519300937.db2.gz	NQPVBJCUEUSARO-CMPLNLGQSA-N	1	0	283.799	3.582	10	30		CHEERO
CC#CC[C@H](Cc1ccccc1Br)[NH2+]CCC	ZINC000055335646	519346934	/nfs/dbraw/zinc/34/69/34/519346934.db2.gz	ZHRDFWVSDOGVKS-CQSZACIVSA-N	1	0	294.236	3.773	10	30		CHEERO
N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCCc1ccccc1	ZINC000054825604	526498303	/nfs/dbraw/zinc/49/83/03/526498303.db2.gz	PGCHNUBQOWNPCK-IRXDYDNUSA-N	1	0	256.393	3.681	10	30		CHEERO
N#C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cc2c(s1)CCC2	ZINC000054826163	526499437	/nfs/dbraw/zinc/49/94/37/526499437.db2.gz	PDIIYUGNJRKLJY-DZGCQCFKSA-N	1	0	274.433	3.799	10	30		CHEERO
[NH3+]CC#Cc1cccc(CSC2CCCCC2)c1	ZINC000049611598	527153023	/nfs/dbraw/zinc/15/30/23/527153023.db2.gz	OMDYMWKARBYGGS-UHFFFAOYSA-N	1	0	259.418	3.563	10	30		CHEERO
C=C(C)C[NH2+][C@H](C)c1ccccc1Br	ZINC000088162654	566979318	/nfs/dbraw/zinc/97/93/18/566979318.db2.gz	QDDWCYVYXJZJNZ-SNVBAGLBSA-N	1	0	254.171	3.676	10	30		CHEERO
C=CCC[C@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccccc1	ZINC000036097677	566994468	/nfs/dbraw/zinc/99/44/68/566994468.db2.gz	IXQKHHLKYNFDSL-SFHVURJKSA-N	1	0	299.414	3.917	10	30		CHEERO
CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1	ZINC000675059797	570365742	/nfs/dbraw/zinc/36/57/42/570365742.db2.gz	MWVZOCDXRVIHEU-CIDNJEQPSA-N	1	0	265.441	3.654	10	30		CHEERO
Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)CC3	ZINC000329612772	1119451429	/nfs/dbraw/zinc/45/14/29/1119451429.db2.gz	DRVBOBLNKKEPLJ-JJRVBVJISA-N	1	0	293.414	3.616	10	30		CHEERO
CCCCCCCOC[C@H]1CC[C@@H](C[NH2+]CCC)O1	ZINC000103595744	185850933	/nfs/dbraw/zinc/85/09/33/185850933.db2.gz	HTXFZOFQSBYYAB-JKSUJKDBSA-N	1	0	271.445	3.521	10	30		CHEERO
C=CCOc1cccc(C[NH2+]Cc2ccccc2)c1	ZINC000006313034	170190062	/nfs/dbraw/zinc/19/00/62/170190062.db2.gz	ZTDKMQUZRZJYLQ-UHFFFAOYSA-N	1	0	253.345	3.541	10	30		CHEERO
C#CCOc1ccccc1C[NH2+][C@H](C)CCC(C)C	ZINC000021804231	171326589	/nfs/dbraw/zinc/32/65/89/171326589.db2.gz	DNPYCEFNKCFOBS-OAHLLOKOSA-N	1	0	259.393	3.613	10	30		CHEERO
C#CCOc1ccccc1C[NH2+][C@H](C)CCCCC	ZINC000035134094	172000300	/nfs/dbraw/zinc/00/03/00/172000300.db2.gz	LWVUOSRTABOGIK-OAHLLOKOSA-N	1	0	259.393	3.757	10	30		CHEERO
CC(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1	ZINC000094896385	265271184	/nfs/dbraw/zinc/27/11/84/265271184.db2.gz	NOBICBHHEAPQPN-SJORKVTESA-N	1	0	256.393	3.667	10	30		CHEERO
C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2ccccc2c1	ZINC000028919620	326881012	/nfs/dbraw/zinc/88/10/12/326881012.db2.gz	BQSREVVZFGOIGV-GJZGRUSLSA-N	1	0	277.371	3.934	10	30		CHEERO
FC(F)[C@H]1C[C@@H]1[NH+]=C(Nc1ccccc1)N1CCCCC1	ZINC000263193361	330048328	/nfs/dbraw/zinc/04/83/28/330048328.db2.gz	ZIHGDCOHBXJYQT-KBPBESRZSA-N	1	0	293.361	3.594	10	30		CHEERO
CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2O1	ZINC000153019575	330638517	/nfs/dbraw/zinc/63/85/17/330638517.db2.gz	TUMDHLOKSJMGGD-QGZVFWFLSA-N	1	0	292.382	3.950	10	30		CHEERO
CCO[C@@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872841	333009701	/nfs/dbraw/zinc/00/97/01/333009701.db2.gz	LEYUTKJVHMRFJJ-HZPDHXFCSA-N	1	0	292.467	3.986	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1	ZINC000250816813	334351052	/nfs/dbraw/zinc/35/10/52/334351052.db2.gz	PEAYBJIJRBWORT-XLAORIBOSA-N	1	0	268.404	3.995	10	30		CHEERO
C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1nc2ccccc2n1C	ZINC000090050780	334356398	/nfs/dbraw/zinc/35/63/98/334356398.db2.gz	HWHZDBQJGGQEQH-LSDHHAIUSA-N	1	0	285.435	3.696	10	30		CHEERO
C#CC[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]CCC	ZINC000051075249	518339801	/nfs/dbraw/zinc/33/98/01/518339801.db2.gz	SEDPZRBVYSLSCN-GFCCVEGCSA-N	1	0	270.203	3.927	10	30		CHEERO
C=C(Cl)COc1c(C[NH2+]C(C)(C)C)cccc1OC	ZINC000062732231	518650997	/nfs/dbraw/zinc/65/09/97/518650997.db2.gz	OJKRBVXIAUKFKY-UHFFFAOYSA-N	1	0	283.799	3.715	10	30		CHEERO
C=C[C@@H](C)Oc1ccc(OC)cc1C[NH2+]C(C)(C)C	ZINC000062727575	519293822	/nfs/dbraw/zinc/29/38/22/519293822.db2.gz	RWPKEXKVCVCSLM-GFCCVEGCSA-N	1	0	263.381	3.537	10	30		CHEERO
CCCCCCCC[NH2+]C[C@@H](c1ccco1)N(C)C	ZINC000059055491	520035101	/nfs/dbraw/zinc/03/51/01/520035101.db2.gz	VWXGOHIARIWJRV-HNNXBMFYSA-N	1	0	266.429	3.832	10	30		CHEERO
C[C@H]1CCC[C@@H](SCc2ccc(C#CC[NH3+])cc2)C1	ZINC000054694524	524154258	/nfs/dbraw/zinc/15/42/58/524154258.db2.gz	KIWVWQZASHRMAI-WMLDXEAASA-N	1	0	273.445	3.809	10	30		CHEERO
N#C[C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1	ZINC000054826333	526512044	/nfs/dbraw/zinc/51/20/44/526512044.db2.gz	RNZMFEXCZPTTRV-GDBMZVCRSA-N	1	0	276.811	3.945	10	30		CHEERO
Cc1cc(C(=O)C[N+](C)(C)C2CCCC2)c(Cl)cc1F	ZINC000155276171	717154632	/nfs/dbraw/zinc/15/46/32/717154632.db2.gz	VCBDHJKZELOYBN-UHFFFAOYSA-N	1	0	298.809	3.989	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@H]2C[C@H]2c2ccccc2)cc1C	ZINC000104162300	1126764368	/nfs/dbraw/zinc/76/43/68/1126764368.db2.gz	OLKUZBYKWRHREG-IRXDYDNUSA-N	1	0	279.387	3.586	10	30		CHEERO
CCCCCCCCn1cc(C[NH2+]CC(C)C)cn1	ZINC000103686145	185854482	/nfs/dbraw/zinc/85/44/82/185854482.db2.gz	ARHAEASCMQKZDQ-UHFFFAOYSA-N	1	0	265.445	3.989	10	30		CHEERO
CCCCCCCC[N@@H+]1C[C@H](C)NC[C@@H]1C(C)C	ZINC000106168012	186103606	/nfs/dbraw/zinc/10/36/06/186103606.db2.gz	MWBXUPXTLGRBIN-JKSUJKDBSA-N	1	0	254.462	3.665	10	30		CHEERO
C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC#N)[C@@H]1C	ZINC000034991671	171917944	/nfs/dbraw/zinc/91/79/44/171917944.db2.gz	RAOQFLHEZRACNV-IIAWOOMASA-N	1	0	272.392	3.503	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2c2cccc(F)c2)cc1C	ZINC000170911149	329072171	/nfs/dbraw/zinc/07/21/71/329072171.db2.gz	YCFGZLHFBDKSHF-SJORKVTESA-N	1	0	297.377	3.725	10	30		CHEERO
C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1	ZINC000181833476	329237655	/nfs/dbraw/zinc/23/76/55/329237655.db2.gz	OUSZIVTYRICJRJ-HZPDHXFCSA-N	1	0	294.398	3.814	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc2ccccc12	ZINC000061892613	329681778	/nfs/dbraw/zinc/68/17/78/329681778.db2.gz	BGKNSJKGFBIYCE-FZMZJTMJSA-N	1	0	256.374	3.683	10	30		CHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000468486691	331435683	/nfs/dbraw/zinc/43/56/83/331435683.db2.gz	HYCDZBPFKPUWQJ-PYNQCMFNSA-N	1	0	274.330	3.637	10	30		CHEERO
COc1ccc2cc(C[NH2+][C@H]3CCC[C@@H]3C#N)ccc2c1	ZINC000061891020	333474726	/nfs/dbraw/zinc/47/47/26/333474726.db2.gz	ABWCGPQVJPZMAL-AEFFLSMTSA-N	1	0	280.371	3.630	10	30		CHEERO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1F	ZINC000248889837	334321033	/nfs/dbraw/zinc/32/10/33/334321033.db2.gz	SNCVRVAHKRAGRR-GUTXKFCHSA-N	1	0	260.356	3.867	10	30		CHEERO
CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000248937117	334322441	/nfs/dbraw/zinc/32/24/41/334322441.db2.gz	YKIYZESMVNVDBC-LXZKKBNFSA-N	1	0	256.393	3.982	10	30		CHEERO
C=CCC1(CC=C)CCCC[N@@H+]1Cc1ccncc1	ZINC000055568640	518689855	/nfs/dbraw/zinc/68/98/55/518689855.db2.gz	BQSHSZAYHBVAQH-UHFFFAOYSA-N	1	0	256.393	3.959	10	30		CHEERO
CC[C@H]([NH2+]C)c1cccc(-c2ccc(C#N)s2)c1	ZINC000050266951	522557490	/nfs/dbraw/zinc/55/74/90/522557490.db2.gz	XEORDRYXMFBODB-AWEZNQCLSA-N	1	0	256.374	3.957	10	30		CHEERO
N#C[C@H]1CCCC[C@H]1[NH2+]C12CC3CC(CC(C3)C1)C2	ZINC000054822930	526511928	/nfs/dbraw/zinc/51/19/28/526511928.db2.gz	MEUULHNMXFVTHC-IPEWZMKDSA-N	1	0	258.409	3.627	10	30		CHEERO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@@]23CCCc2ccccc23)o1	ZINC000151420001	526623338	/nfs/dbraw/zinc/62/33/38/526623338.db2.gz	OTFXTFQDGVKFEE-BEFAXECRSA-N	1	0	292.382	3.535	10	30		CHEERO
CCN/C(=[NH+]\CC)SC[C@@H]1CCC2(CCCCC2)O1	ZINC000191698500	528828697	/nfs/dbraw/zinc/82/86/97/528828697.db2.gz	CZHWSSLXBKBEKT-ZDUSSCGKSA-N	1	0	284.469	3.587	10	30		CHEERO
C=CC/[NH+]=C(\SCc1ccccc1)N1CCCC1	ZINC000015188421	567870140	/nfs/dbraw/zinc/87/01/40/567870140.db2.gz	KHLWLEMXXLZZIB-NXVVXOECSA-N	1	0	260.406	3.558	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+]CCC(C)C	ZINC000045945996	570412487	/nfs/dbraw/zinc/41/24/87/570412487.db2.gz	LXTMGJDOBWRKDE-UHFFFAOYSA-N	1	0	281.399	3.988	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+]CC(C)C	ZINC000045945773	570412511	/nfs/dbraw/zinc/41/25/11/570412511.db2.gz	LLWIJMLLGQWTJF-UHFFFAOYSA-N	1	0	267.372	3.597	10	30		CHEERO
C[C@H](C(=O)Nc1ccc(Cl)cc1)[N+](C)(C)C1CCCC1	ZINC000007760563	717106233	/nfs/dbraw/zinc/10/62/33/717106233.db2.gz	DEPXJJLIWCAFDV-GFCCVEGCSA-O	1	0	295.834	3.686	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000329850395	1119592714	/nfs/dbraw/zinc/59/27/14/1119592714.db2.gz	QFMKHAPXKQWDDE-BARLLCKDSA-N	1	0	293.414	3.672	10	30		CHEERO
CCCCCCC[C@H](CN)[N@H+](CCCC)C1CC1	ZINC000103967332	185869742	/nfs/dbraw/zinc/86/97/42/185869742.db2.gz	ICLHHYHQNOVNOW-MRXNPFEDSA-N	1	0	254.462	3.939	10	30		CHEERO
C=CCOc1ccc(Br)cc1C[NH2+]CC(C)C	ZINC000006375942	170196000	/nfs/dbraw/zinc/19/60/00/170196000.db2.gz	ABSDEAPXNFEOKR-UHFFFAOYSA-N	1	0	298.224	3.760	10	30		CHEERO
Cc1cc(Nc2ccc(C#N)cn2)c2ccccc2[nH+]1	ZINC000019489002	170814198	/nfs/dbraw/zinc/81/41/98/170814198.db2.gz	LAVVNPQHIBCIOF-UHFFFAOYSA-N	1	0	260.300	3.554	10	30		CHEERO
CC[C@H](C#N)Oc1c2ccccc2ccc1[C@@H](C)[NH3+]	ZINC000043538917	175064113	/nfs/dbraw/zinc/06/41/13/175064113.db2.gz	LUYOGGDWWDGOEH-DGCLKSJQSA-N	1	0	254.333	3.540	10	30		CHEERO
C[C@H](CCCC[NH3+])Nc1ccc(C(F)(F)F)cc1C#N	ZINC000312405226	260003766	/nfs/dbraw/zinc/00/37/66/260003766.db2.gz	PQOCVBVMUJXOTN-SNVBAGLBSA-N	1	0	285.313	3.506	10	30		CHEERO
C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000188467360	260145834	/nfs/dbraw/zinc/14/58/34/260145834.db2.gz	IQQSSVMSFUOVQV-KBXCAEBGSA-N	1	0	297.402	3.652	10	30		CHEERO
CN1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000174296001	329156477	/nfs/dbraw/zinc/15/64/77/329156477.db2.gz	HEWISDYGLPTCSN-HNNXBMFYSA-N	1	0	285.435	3.530	10	30		CHEERO
C[NH+]=C(N[C@H](C)c1ccc2ccccc2c1)NC1CCC1	ZINC000262814655	330033852	/nfs/dbraw/zinc/03/38/52/330033852.db2.gz	WFWLKMHFUHTODK-CYBMUJFWSA-N	1	0	281.403	3.618	10	30		CHEERO
C=CCCCCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1	ZINC000193339672	333248271	/nfs/dbraw/zinc/24/82/71/333248271.db2.gz	YCEIYXGSKDNMQY-UHFFFAOYSA-N	1	0	275.440	3.648	10	30		CHEERO
C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000231901290	333331766	/nfs/dbraw/zinc/33/17/66/333331766.db2.gz	WQRUUVNMWUVSGG-KYOSRNDESA-N	1	0	262.784	3.553	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1	ZINC000061891014	333474782	/nfs/dbraw/zinc/47/47/82/333474782.db2.gz	CBEBDMAFFXSFPN-HOCLYGCPSA-N	1	0	256.393	3.766	10	30		CHEERO
Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1	ZINC000251192632	334358037	/nfs/dbraw/zinc/35/80/37/334358037.db2.gz	OKOQJPMAVYBOID-XIRDDKMYSA-N	1	0	256.393	3.598	10	30		CHEERO
C#CCOc1ccc(Br)cc1[C@H](C)[NH2+]CCC	ZINC000052067718	518321236	/nfs/dbraw/zinc/32/12/36/518321236.db2.gz	OWYQVASXVSFAIN-NSHDSACASA-N	1	0	296.208	3.522	10	30		CHEERO
CC[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C)cc1Cl	ZINC000062730313	523751153	/nfs/dbraw/zinc/75/11/53/523751153.db2.gz	HMDGJSSYMPTYAP-GFCCVEGCSA-N	1	0	280.799	3.909	10	30		CHEERO
Cc1csc(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000156777021	526329608	/nfs/dbraw/zinc/32/96/08/526329608.db2.gz	QGNFXGYOWCENRW-UHFFFAOYSA-N	1	0	297.427	3.703	10	30		CHEERO
CCc1cccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415273	717118786	/nfs/dbraw/zinc/11/87/86/717118786.db2.gz	KNMSFVVJJRPTED-AWEZNQCLSA-O	1	0	289.443	3.595	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2c2ccccc2)cc1C	ZINC000104162293	1126764051	/nfs/dbraw/zinc/76/40/51/1126764051.db2.gz	OLKUZBYKWRHREG-IAGOWNOFSA-N	1	0	279.387	3.586	10	30		CHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000329850397	1119593026	/nfs/dbraw/zinc/59/30/26/1119593026.db2.gz	QFMKHAPXKQWDDE-IZIZEDOESA-N	1	0	293.414	3.672	10	30		CHEERO
Cn1cc(C[N@@H+]2CCC[C@@H]2/C=C/c2cccs2)cc1C#N	ZINC000365256832	1119792101	/nfs/dbraw/zinc/79/21/01/1119792101.db2.gz	OZYGFLKMTVXNFV-LQYUOIDQSA-N	1	0	297.427	3.636	10	30		CHEERO
CCC[C@](C)(C=O)C[N@H+](C)C1CCC(CC)CC1	ZINC000104011665	185881524	/nfs/dbraw/zinc/88/15/24/185881524.db2.gz	RAUVVDDQJYZEPP-GPANFISMSA-N	1	0	253.430	3.892	10	30		CHEERO
CCCCCCCOc1ncccc1C[NH2+]C1CC1	ZINC000106914682	186150984	/nfs/dbraw/zinc/15/09/84/186150984.db2.gz	SNWCSJBZVXLTLV-UHFFFAOYSA-N	1	0	262.397	3.683	10	30		CHEERO
CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1OCC#N	ZINC000034991181	171917071	/nfs/dbraw/zinc/91/70/71/171917071.db2.gz	ODSSXOAYKOIXTD-OAHLLOKOSA-N	1	0	274.408	3.893	10	30		CHEERO
C=C(C)COc1c(Cl)cc(Cl)cc1C[C@H](C)[NH3+]	ZINC000037728832	173648701	/nfs/dbraw/zinc/64/87/01/173648701.db2.gz	IZKRDMFOJOTYHP-VIFPVBQESA-N	1	0	274.191	3.838	10	30		CHEERO
CC(C)(C)C1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1	ZINC000185830283	262309484	/nfs/dbraw/zinc/30/94/84/262309484.db2.gz	SOFBHLNYBBWNPF-CTMQZQKCSA-N	1	0	292.467	3.626	10	30		CHEERO
COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c2ccccc12	ZINC000094692417	265250153	/nfs/dbraw/zinc/25/01/53/265250153.db2.gz	FCJFFDBKDRILQI-DYVFJYSZSA-N	1	0	280.371	3.630	10	30		CHEERO
Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)s1	ZINC000188949845	329375957	/nfs/dbraw/zinc/37/59/57/329375957.db2.gz	TZKSLEMWFBNMAG-HNNXBMFYSA-N	1	0	284.384	3.542	10	30		CHEERO
CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1	ZINC000185710222	333147003	/nfs/dbraw/zinc/14/70/03/333147003.db2.gz	YKIYZESMVNVDBC-QRTARXTBSA-N	1	0	256.393	3.982	10	30		CHEERO
C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000231901282	333331793	/nfs/dbraw/zinc/33/17/93/333331793.db2.gz	WQRUUVNMWUVSGG-UXIGCNINSA-N	1	0	262.784	3.553	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000248721372	334314896	/nfs/dbraw/zinc/31/48/96/334314896.db2.gz	CINIDIUHQSQCBZ-DMDPSCGWSA-N	1	0	264.319	3.698	10	30		CHEERO
CC(C)(C)[NH2+]Cc1ccc(OCCCCC#N)cc1	ZINC000062728849	518764232	/nfs/dbraw/zinc/76/42/32/518764232.db2.gz	UFPIIFKNVOYJPT-UHFFFAOYSA-N	1	0	260.381	3.647	10	30		CHEERO
CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(Cl)cc1C#N	ZINC000052857976	519776051	/nfs/dbraw/zinc/77/60/51/519776051.db2.gz	GXOJNCWCJAGVGD-AWEZNQCLSA-N	1	0	279.815	3.600	10	30		CHEERO
C[C@@H]1CCC[C@@H](SCc2cc(C#CC[NH3+])cs2)C1	ZINC000054694600	524320887	/nfs/dbraw/zinc/32/08/87/524320887.db2.gz	VLMJVVKCXRSJQP-TZMCWYRMSA-N	1	0	279.474	3.870	10	30		CHEERO
CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1	ZINC000675059798	570365700	/nfs/dbraw/zinc/36/57/00/570365700.db2.gz	MWVZOCDXRVIHEU-JWMHWRSXSA-N	1	0	265.441	3.654	10	30		CHEERO
Cc1cc(C)cc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415263	717118844	/nfs/dbraw/zinc/11/88/44/717118844.db2.gz	JLZGMNJUCPWMDY-OAHLLOKOSA-O	1	0	289.443	3.649	10	30		CHEERO
C[N+](C)(CC(=O)CCC1CCCC1)C1CCCC1	ZINC000156853969	717154315	/nfs/dbraw/zinc/15/43/15/717154315.db2.gz	XXKLOYBERWLICY-UHFFFAOYSA-N	1	0	252.422	3.545	10	30		CHEERO
C=CC[NH+](CC=C)[C@@H]1CCc2ccc(O)cc2C1(C)C	ZINC000013583922	170565743	/nfs/dbraw/zinc/56/57/43/170565743.db2.gz	SNFJJCDHDZXMFR-QGZVFWFLSA-N	1	0	271.404	3.659	10	30		CHEERO
COc1cc(C#N)ccc1Oc1cccc(F)c1[C@@H](C)[NH3+]	ZINC000019873496	170903019	/nfs/dbraw/zinc/90/30/19/170903019.db2.gz	LXOFNAKMQAABRD-SNVBAGLBSA-N	1	0	286.306	3.518	10	30		CHEERO
C=C(C)COc1ccc(Cl)cc1C[C@@H]([NH3+])CC	ZINC000037725882	173644637	/nfs/dbraw/zinc/64/46/37/173644637.db2.gz	ANHBIFUBYKVIQG-ZDUSSCGKSA-N	1	0	253.773	3.575	10	30		CHEERO
C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(F)cc1C#N	ZINC000302025284	261345893	/nfs/dbraw/zinc/34/58/93/261345893.db2.gz	PSJXCGAZLPAYCI-AWEZNQCLSA-N	1	0	297.377	3.630	10	30		CHEERO
Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)c1	ZINC000221955318	262334249	/nfs/dbraw/zinc/33/42/49/262334249.db2.gz	WBJBVTYLDQDDFL-CYBMUJFWSA-N	1	0	268.335	3.857	10	30		CHEERO
N#Cc1csc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1	ZINC000093492143	265182164	/nfs/dbraw/zinc/18/21/64/265182164.db2.gz	CJZRNJGRHFUGEF-UHFFFAOYSA-N	1	0	272.417	3.534	10	30		CHEERO
C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2ccccc2c1	ZINC000028919621	326880949	/nfs/dbraw/zinc/88/09/49/326880949.db2.gz	BQSREVVZFGOIGV-HUUCEWRRSA-N	1	0	277.371	3.934	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@H]2C[C@H]2c2cccc(F)c2)cc1C	ZINC000170911153	329072051	/nfs/dbraw/zinc/07/20/51/329072051.db2.gz	YCFGZLHFBDKSHF-IRXDYDNUSA-N	1	0	297.377	3.725	10	30		CHEERO
CCc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2c2cccc(F)c2)c1	ZINC000170911224	329072096	/nfs/dbraw/zinc/07/20/96/329072096.db2.gz	JIDRGAPDGCOJND-SJORKVTESA-N	1	0	297.377	3.671	10	30		CHEERO
CN1CC[C@H](C[NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000174296015	329156501	/nfs/dbraw/zinc/15/65/01/329156501.db2.gz	HEWISDYGLPTCSN-OAHLLOKOSA-N	1	0	285.435	3.530	10	30		CHEERO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N	ZINC000174851057	329163923	/nfs/dbraw/zinc/16/39/23/329163923.db2.gz	UNSLSDVUBKMVLQ-HNNXBMFYSA-N	1	0	288.439	3.504	10	30		CHEERO
C=CCC[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1	ZINC000178672252	329202056	/nfs/dbraw/zinc/20/20/56/329202056.db2.gz	ZWZXGBJJULMYSF-JKSUJKDBSA-N	1	0	257.377	3.845	10	30		CHEERO
CC[NH+]=C(N[C@@H](C)c1cc2ccccc2o1)NC1CCC1	ZINC000262818567	330033980	/nfs/dbraw/zinc/03/39/80/330033980.db2.gz	XIJHYXPJOKGLLT-LBPRGKRZSA-N	1	0	285.391	3.601	10	30		CHEERO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2ccccc21	ZINC000054829539	330242668	/nfs/dbraw/zinc/24/26/68/330242668.db2.gz	SMQNUWKMWNJNMT-RHSMWYFYSA-N	1	0	250.345	3.622	10	30		CHEERO
N#Cc1ccc(F)c(C[NH2+]C2(C3CCC3)CCC2)c1	ZINC000459768936	331299673	/nfs/dbraw/zinc/29/96/73/331299673.db2.gz	LTPRMVTZTYFIDH-UHFFFAOYSA-N	1	0	258.340	3.510	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1	ZINC000166029570	331306469	/nfs/dbraw/zinc/30/64/69/331306469.db2.gz	YFRTYVGXCNILDK-YPMHNXCESA-N	1	0	262.422	3.827	10	30		CHEERO
C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2	ZINC000186312784	333158391	/nfs/dbraw/zinc/15/83/91/333158391.db2.gz	AVHBWRJDTGYKBH-BBWFWOEESA-N	1	0	295.467	3.685	10	30		CHEERO
C=C(Cl)COc1c(C[NH2+]CC(C)C)cccc1OC	ZINC000062732311	518650402	/nfs/dbraw/zinc/65/04/02/518650402.db2.gz	ODBFLHIFBIUYAO-UHFFFAOYSA-N	1	0	283.799	3.572	10	30		CHEERO
C=CCCOCc1c(C[NH3+])sc2cccc(F)c21	ZINC000052599475	518703529	/nfs/dbraw/zinc/70/35/29/518703529.db2.gz	OQHHOGKJJYUANW-UHFFFAOYSA-N	1	0	265.353	3.592	10	30		CHEERO
CC#CC[C@H]([NH2+]CC)C1(c2ccccc2)CCCC1	ZINC000062782858	519347197	/nfs/dbraw/zinc/34/71/97/519347197.db2.gz	TZSQZEJPBGYPAQ-KRWDZBQOSA-N	1	0	255.405	3.890	10	30		CHEERO
N#CCCCCOc1c(Cl)cc(Cl)cc1CC[NH3+]	ZINC000049579017	526445173	/nfs/dbraw/zinc/44/51/73/526445173.db2.gz	ZIIRXYFORPJARV-UHFFFAOYSA-N	1	0	287.190	3.567	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1	ZINC000061891018	526501063	/nfs/dbraw/zinc/50/10/63/526501063.db2.gz	BOBPBAIKGKGDOB-IRXDYDNUSA-N	1	0	250.345	3.622	10	30		CHEERO
N#C[C@H]1CCCCC[C@@H]1[NH2+]CCCc1ccccc1	ZINC000054825602	526512223	/nfs/dbraw/zinc/51/22/23/526512223.db2.gz	PGCHNUBQOWNPCK-SJORKVTESA-N	1	0	256.393	3.681	10	30		CHEERO
CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](CC)O1	ZINC000675079059	567025676	/nfs/dbraw/zinc/02/56/76/567025676.db2.gz	DVWGSPIRYKXBOV-IYBDPMFKSA-N	1	0	278.440	3.740	10	30		CHEERO
C#CCOc1cccc(C[NH2+]CCCCCCC)c1	ZINC000100678752	567217645	/nfs/dbraw/zinc/21/76/45/567217645.db2.gz	OLECXSKEWSKUOK-UHFFFAOYSA-N	1	0	259.393	3.759	10	30		CHEERO
C#CC[N+](CC)(CC)Cc1cccc2ccccc21	ZINC000003172710	567896604	/nfs/dbraw/zinc/89/66/04/567896604.db2.gz	SNLBXTXMBJLYMX-UHFFFAOYSA-N	1	0	252.381	3.830	10	30		CHEERO
CCc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1	ZINC000007760209	717105846	/nfs/dbraw/zinc/10/58/46/717105846.db2.gz	MFYOPJBKOVOSGN-CQSZACIVSA-O	1	0	289.443	3.595	10	30		CHEERO
CCC[NH2+][C@H](C)c1ccc(C)cc1OCCCC#N	ZINC000104339961	185975281	/nfs/dbraw/zinc/97/52/81/185975281.db2.gz	QGDGHQMOTYDOBB-CQSZACIVSA-N	1	0	260.381	3.738	10	30		CHEERO
CC[C@H]([NH2+]C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000038070585	174081611	/nfs/dbraw/zinc/08/16/11/174081611.db2.gz	RMMVGPJTJJOPNN-KRWDZBQOSA-N	1	0	250.345	3.896	10	30		CHEERO
CC[NH2+][C@H](C)c1cccc(-c2cccc(C#N)c2)c1	ZINC000038070572	174081645	/nfs/dbraw/zinc/08/16/45/174081645.db2.gz	RPQPYHAIEPDLDR-CYBMUJFWSA-N	1	0	250.345	3.896	10	30		CHEERO
CC(C)(C)C1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1	ZINC000185830261	262309364	/nfs/dbraw/zinc/30/93/64/262309364.db2.gz	SOFBHLNYBBWNPF-JBCIKUTRSA-N	1	0	292.467	3.626	10	30		CHEERO
C=CCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl	ZINC000062103553	330387132	/nfs/dbraw/zinc/38/71/32/330387132.db2.gz	ZALFZGXWKSJKGK-UHFFFAOYSA-N	1	0	253.773	3.793	10	30		CHEERO
CC#CCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000155785020	327396509	/nfs/dbraw/zinc/39/65/09/327396509.db2.gz	ZYRMVGHCRCFSFZ-AWEZNQCLSA-N	1	0	276.449	3.859	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1	ZINC000166029695	329554606	/nfs/dbraw/zinc/55/46/06/329554606.db2.gz	YFRTYVGXCNILDK-WCQYABFASA-N	1	0	262.422	3.827	10	30		CHEERO
CC[NH+]=C(N[C@H](C)c1cc2ccccc2o1)NC1CCC1	ZINC000262818565	330034001	/nfs/dbraw/zinc/03/40/01/330034001.db2.gz	XIJHYXPJOKGLLT-GFCCVEGCSA-N	1	0	285.391	3.601	10	30		CHEERO
C#CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1	ZINC000045945584	330350101	/nfs/dbraw/zinc/35/01/01/330350101.db2.gz	YALKXVYDUHONJV-OAHLLOKOSA-N	1	0	265.356	3.549	10	30		CHEERO
CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1	ZINC000224372476	333219715	/nfs/dbraw/zinc/21/97/15/333219715.db2.gz	CEMKFJFFZMVYDU-IKGGRYGDSA-N	1	0	256.393	3.708	10	30		CHEERO
C=C(C)COc1ccc(C[NH2+]C(C)(C)C)cc1OC	ZINC000062731798	518613435	/nfs/dbraw/zinc/61/34/35/518613435.db2.gz	TVNKAJLAZROSNH-UHFFFAOYSA-N	1	0	263.381	3.538	10	30		CHEERO
CC(C)(C[NH2+][C@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000054825790	519271724	/nfs/dbraw/zinc/27/17/24/519271724.db2.gz	ZCVZUOGDNWUFEW-HOCLYGCPSA-N	1	0	256.393	3.636	10	30		CHEERO
C=C[C@H](C)Oc1ccc(C[NH2+]C2CC2)cc1Br	ZINC000062702352	519301096	/nfs/dbraw/zinc/30/10/96/519301096.db2.gz	NIKNLWXKZSEFKO-JTQLQIEISA-N	1	0	296.208	3.654	10	30		CHEERO
N#C[C@@H]1CCCC[C@@H]1[NH2+]C12CC3CC(CC(C3)C1)C2	ZINC000054822927	526499885	/nfs/dbraw/zinc/49/98/85/526499885.db2.gz	MEUULHNMXFVTHC-OXMYNTRUSA-N	1	0	258.409	3.627	10	30		CHEERO
N#Cc1ccc(C[NH2+]C[C@@H]2C[C@]23CCCc2ccccc23)o1	ZINC000151420219	526623383	/nfs/dbraw/zinc/62/33/83/526623383.db2.gz	OTFXTFQDGVKFEE-HNAYVOBHSA-N	1	0	292.382	3.535	10	30		CHEERO
C=CC/[NH+]=C(/SCc1ccccc1)N1CCCC1	ZINC000106832124	566962585	/nfs/dbraw/zinc/96/25/85/566962585.db2.gz	KHLWLEMXXLZZIB-FOCLMDBBSA-N	1	0	260.406	3.558	10	30		CHEERO
C=CCOc1ccc(C[NH2+]CCCOCCCC)cc1	ZINC000013719823	567942249	/nfs/dbraw/zinc/94/22/49/567942249.db2.gz	KMSMDDBUYQMTGM-UHFFFAOYSA-N	1	0	277.408	3.548	10	30		CHEERO
CCCCCCC[N@@H+]1C[C@@H](CC)NC[C@@H]1C(C)C	ZINC000106169309	186103649	/nfs/dbraw/zinc/10/36/49/186103649.db2.gz	YGRIBZKITYTEOA-HZPDHXFCSA-N	1	0	254.462	3.665	10	30		CHEERO
CC[C@H](OCCCC[NH2+]CCS)C1CCCCC1	ZINC000096328054	256839785	/nfs/dbraw/zinc/83/97/85/256839785.db2.gz	NUHTXCBSBGRGTM-HNNXBMFYSA-N	1	0	273.486	3.662	10	30		CHEERO
O=C(C[n+]1cccc(-c2ccccc2)c1)c1ccccc1	ZINC000007760835	170300923	/nfs/dbraw/zinc/30/09/23/170300923.db2.gz	JOOUMTAFADITMI-UHFFFAOYSA-N	1	0	274.343	3.524	10	30		CHEERO
C[C@H]([NH3+])c1c(F)cccc1Oc1ccc(C#N)cc1	ZINC000019873695	170903015	/nfs/dbraw/zinc/90/30/15/170903015.db2.gz	FKSVFQPRBYJGAZ-JTQLQIEISA-N	1	0	256.280	3.509	10	30		CHEERO
C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(Br)c1	ZINC000336722889	261810818	/nfs/dbraw/zinc/81/08/18/261810818.db2.gz	AZCGGOOCFQGUJN-GHMZBOCLSA-N	1	0	281.197	3.792	10	30		CHEERO
CC(C)(C)C1CCC(O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1	ZINC000185830242	262309099	/nfs/dbraw/zinc/30/90/99/262309099.db2.gz	SOFBHLNYBBWNPF-VUGNNNGISA-N	1	0	292.467	3.626	10	30		CHEERO
C[NH+]=C(N[C@@H](C)c1ccc2ccccc2c1)NC1CCC1	ZINC000262814656	330033658	/nfs/dbraw/zinc/03/36/58/330033658.db2.gz	WFWLKMHFUHTODK-ZDUSSCGKSA-N	1	0	281.403	3.618	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccccc21	ZINC000054829546	330242723	/nfs/dbraw/zinc/24/27/23/330242723.db2.gz	SMQNUWKMWNJNMT-YOEHRIQHSA-N	1	0	250.345	3.622	10	30		CHEERO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1F	ZINC000248889842	334320946	/nfs/dbraw/zinc/32/09/46/334320946.db2.gz	SNCVRVAHKRAGRR-GZBFAFLISA-N	1	0	260.356	3.867	10	30		CHEERO
C=CC[C@H](C)[C@H](C)[NH2+]CCCc1nc2ccccc2n1C	ZINC000090050784	334356277	/nfs/dbraw/zinc/35/62/77/334356277.db2.gz	HWHZDBQJGGQEQH-GJZGRUSLSA-N	1	0	285.435	3.696	10	30		CHEERO
C=CCCOCc1oc2ccccc2c1C[NH2+]CC	ZINC000052599607	518704875	/nfs/dbraw/zinc/70/48/75/518704875.db2.gz	WEVZHWKTJYCCGD-UHFFFAOYSA-N	1	0	259.349	3.635	10	30		CHEERO
CC(C)C[NH2+]Cc1cc(Cl)ccc1OCCCC#N	ZINC000062730935	519746738	/nfs/dbraw/zinc/74/67/38/519746738.db2.gz	JVTNAEWZRSZRFU-UHFFFAOYSA-N	1	0	280.799	3.768	10	30		CHEERO
C#CCOc1ccccc1C[NH2+]C1CCCCCCC1	ZINC000020019499	570408282	/nfs/dbraw/zinc/40/82/82/570408282.db2.gz	YHGYOJRDECERRK-UHFFFAOYSA-N	1	0	271.404	3.901	10	30		CHEERO
C[N+](C)(CC(=O)Nc1cccc2ccccc21)C1CCCC1	ZINC000007760668	717105898	/nfs/dbraw/zinc/10/58/98/717105898.db2.gz	CVCKICIQJUXVCQ-UHFFFAOYSA-O	1	0	297.422	3.797	10	30		CHEERO
Cc1cc(C)cc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415260	717118781	/nfs/dbraw/zinc/11/87/81/717118781.db2.gz	JLZGMNJUCPWMDY-HNNXBMFYSA-O	1	0	289.443	3.649	10	30		CHEERO
C=C(C)C(=O)OCC[N+](C)(C)CCCCCCCC	ZINC000118699983	717150336	/nfs/dbraw/zinc/15/03/36/717150336.db2.gz	PPXPXOHUDCKHHE-UHFFFAOYSA-N	1	0	270.437	3.543	10	30		CHEERO
CCCCCCC[C@@](C)([NH2+]C1CCCCC1)C(N)=O	ZINC000103081609	185806981	/nfs/dbraw/zinc/80/69/81/185806981.db2.gz	JAIYCQLJVUCVOH-MRXNPFEDSA-N	1	0	268.445	3.513	10	30		CHEERO
CCCCCCCC[NH2+]Cc1cccc(O)c1O	ZINC000106250596	186105021	/nfs/dbraw/zinc/10/50/21/186105021.db2.gz	OPPGGQKOPGJYJJ-UHFFFAOYSA-N	1	0	251.370	3.548	10	30		CHEERO
CCCCCCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1	ZINC000109194309	186245190	/nfs/dbraw/zinc/24/51/90/186245190.db2.gz	RWZFAJSTVSQTEY-HOTGVXAUSA-N	1	0	252.446	3.563	10	30		CHEERO
C=CCOc1c(C[NH2+]C2CCCCC2)cccc1OC	ZINC000006452186	170202595	/nfs/dbraw/zinc/20/25/95/170202595.db2.gz	SDBNFQOMWXUORZ-UHFFFAOYSA-N	1	0	275.392	3.682	10	30		CHEERO
C=CC[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)C1	ZINC000021983396	171344665	/nfs/dbraw/zinc/34/46/65/171344665.db2.gz	SOOKFCWCHCJXHV-IBGZPJMESA-N	1	0	263.384	3.863	10	30		CHEERO
C#CC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC	ZINC000035161390	172020448	/nfs/dbraw/zinc/02/04/48/172020448.db2.gz	ZJVJXDOTGPRCRI-UHFFFAOYSA-N	1	0	262.356	3.537	10	30		CHEERO
C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000188467403	260145768	/nfs/dbraw/zinc/14/57/68/260145768.db2.gz	IQQSSVMSFUOVQV-RDTXWAMCSA-N	1	0	297.402	3.652	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1	ZINC000166029449	261381584	/nfs/dbraw/zinc/38/15/84/261381584.db2.gz	YFRTYVGXCNILDK-DGCLKSJQSA-N	1	0	262.422	3.827	10	30		CHEERO
COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c2ccccc12	ZINC000094692418	265250393	/nfs/dbraw/zinc/25/03/93/265250393.db2.gz	FCJFFDBKDRILQI-SUMWQHHRSA-N	1	0	280.371	3.630	10	30		CHEERO
N#CCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481516	266296861	/nfs/dbraw/zinc/29/68/61/266296861.db2.gz	LFDYKAXMYDCTOT-MRXNPFEDSA-N	1	0	294.402	3.560	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(C#N)c1	ZINC000181847145	329238041	/nfs/dbraw/zinc/23/80/41/329238041.db2.gz	MTHFQPGUAIHYJG-QGTPRVQTSA-N	1	0	294.402	3.589	10	30		CHEERO
N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1	ZINC000248853697	329900796	/nfs/dbraw/zinc/90/07/96/329900796.db2.gz	PBDNPZSRSTUYPW-PVUWLOKVSA-N	1	0	272.367	3.875	10	30		CHEERO
C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000044673992	330331637	/nfs/dbraw/zinc/33/16/37/330331637.db2.gz	FBJGZOWOUZHWPU-VHSSKADRSA-N	1	0	262.356	3.765	10	30		CHEERO
C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400340709	332707361	/nfs/dbraw/zinc/70/73/61/332707361.db2.gz	IQXAVOKXSXYGDM-ZNMIVQPWSA-N	1	0	296.455	3.576	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000185759286	333148331	/nfs/dbraw/zinc/14/83/31/333148331.db2.gz	CINIDIUHQSQCBZ-GVXVVHGQSA-N	1	0	264.319	3.698	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1	ZINC000193339019	333248406	/nfs/dbraw/zinc/24/84/06/333248406.db2.gz	JIXMPERFYDYOBV-INIZCTEOSA-N	1	0	261.413	3.575	10	30		CHEERO
Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](C)C2	ZINC000248866870	334320121	/nfs/dbraw/zinc/32/01/21/334320121.db2.gz	QENYCEAJJRVHMJ-GARXJVFOSA-N	1	0	268.404	3.900	10	30		CHEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1nc2ccccc2n1C	ZINC000090050781	334356300	/nfs/dbraw/zinc/35/63/00/334356300.db2.gz	HWHZDBQJGGQEQH-HUUCEWRRSA-N	1	0	285.435	3.696	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C#N)cc1	ZINC000036991864	525627293	/nfs/dbraw/zinc/62/72/93/525627293.db2.gz	UVCQNWKYLYEFQW-GUYCJALGSA-N	1	0	278.355	3.733	10	30		CHEERO
C=CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000057353085	566871611	/nfs/dbraw/zinc/87/16/11/566871611.db2.gz	QNVCVXVUXIGAQU-UHFFFAOYSA-N	1	0	276.383	3.965	10	30		CHEERO
C=CCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1	ZINC000013718955	567942206	/nfs/dbraw/zinc/94/22/06/567942206.db2.gz	YKHYTZQHUHWFDL-UHFFFAOYSA-N	1	0	297.398	3.592	10	30		CHEERO
C=C[C@@H](C)[N@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C	ZINC000249746974	717165055	/nfs/dbraw/zinc/16/50/55/717165055.db2.gz	NMURIVUKFUPPRV-BLVKFPJESA-N	1	0	287.383	3.829	10	30		CHEERO
CCCCCCCOc1ncccc1C[NH2+]CCC	ZINC000110156919	186286877	/nfs/dbraw/zinc/28/68/77/186286877.db2.gz	JCAVVXQOCCDKRG-UHFFFAOYSA-N	1	0	264.413	3.930	10	30		CHEERO
CCC(=O)Oc1ccc([P+](CC)(CC)CC)cc1	ZINC000005296866	170084277	/nfs/dbraw/zinc/08/42/77/170084277.db2.gz	QQUUWQCNJIXNDY-UHFFFAOYSA-N	1	0	267.329	3.705	10	30		CHEERO
C=CC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1	ZINC000020931965	171280764	/nfs/dbraw/zinc/28/07/64/171280764.db2.gz	FHDQAOOBBJHXSE-UHFFFAOYSA-N	1	0	283.799	3.803	10	30		CHEERO
COc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC	ZINC000087597549	260215588	/nfs/dbraw/zinc/21/55/88/260215588.db2.gz	DVMIIIDPSCKYHS-ZDUSSCGKSA-N	1	0	290.407	3.684	10	30		CHEERO
CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCCC#N	ZINC000183134038	261964340	/nfs/dbraw/zinc/96/43/40/261964340.db2.gz	MELCJJZZVPKETI-MRXNPFEDSA-N	1	0	256.393	3.984	10	30		CHEERO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-n2ccnc2)c1	ZINC000189914216	262177209	/nfs/dbraw/zinc/17/72/09/262177209.db2.gz	NAYGLVATYCCNDQ-HNNXBMFYSA-N	1	0	296.418	3.853	10	30		CHEERO
Cc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1F	ZINC000094954936	265279253	/nfs/dbraw/zinc/27/92/53/265279253.db2.gz	LQDJSBXLTCZZIB-HNNXBMFYSA-N	1	0	267.347	3.836	10	30		CHEERO
N#CCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481517	266296837	/nfs/dbraw/zinc/29/68/37/266296837.db2.gz	LFDYKAXMYDCTOT-INIZCTEOSA-N	1	0	294.402	3.560	10	30		CHEERO
Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@H]2c2cccc(F)c2)c1	ZINC000170911128	329072029	/nfs/dbraw/zinc/07/20/29/329072029.db2.gz	YNOBMUOPJFWZJQ-IRXDYDNUSA-N	1	0	297.377	3.725	10	30		CHEERO
Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@@H]2c2cccc(F)c2)c1	ZINC000170911125	329072032	/nfs/dbraw/zinc/07/20/32/329072032.db2.gz	YNOBMUOPJFWZJQ-SJORKVTESA-N	1	0	297.377	3.725	10	30		CHEERO
CCc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]2c2cccc(F)c2)c1	ZINC000170911221	329072128	/nfs/dbraw/zinc/07/21/28/329072128.db2.gz	JIDRGAPDGCOJND-IAGOWNOFSA-N	1	0	297.377	3.671	10	30		CHEERO
CCO[C@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872852	333009508	/nfs/dbraw/zinc/00/95/08/333009508.db2.gz	LEYUTKJVHMRFJJ-CVEARBPZSA-N	1	0	292.467	3.986	10	30		CHEERO
C[C@@H](CCCC[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000336842549	335120919	/nfs/dbraw/zinc/12/09/19/335120919.db2.gz	UXCRUXSPNQOMBM-JTQLQIEISA-N	1	0	285.313	3.506	10	30		CHEERO
Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](C)C2	ZINC000185894765	333151341	/nfs/dbraw/zinc/15/13/41/333151341.db2.gz	QENYCEAJJRVHMJ-KJGCVMFHSA-N	1	0	268.404	3.900	10	30		CHEERO
C=CCCCCC[NH+]1CCC(c2cnn(CC)c2)CC1	ZINC000193325189	333247978	/nfs/dbraw/zinc/24/79/78/333247978.db2.gz	BPDQKBPDQLWMIA-UHFFFAOYSA-N	1	0	275.440	3.829	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1	ZINC000193339011	333248305	/nfs/dbraw/zinc/24/83/05/333248305.db2.gz	JIXMPERFYDYOBV-MRXNPFEDSA-N	1	0	261.413	3.575	10	30		CHEERO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000248721374	334314886	/nfs/dbraw/zinc/31/48/86/334314886.db2.gz	CINIDIUHQSQCBZ-LOWVWBTDSA-N	1	0	264.319	3.698	10	30		CHEERO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nc(C#N)cs1	ZINC000386054642	336165506	/nfs/dbraw/zinc/16/55/06/336165506.db2.gz	WDAQQXVPBTYAKG-BNOWGMLFSA-N	1	0	277.437	3.565	10	30		CHEERO
C#CC[C@@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]CCC	ZINC000051075248	518338633	/nfs/dbraw/zinc/33/86/33/518338633.db2.gz	SEDPZRBVYSLSCN-LBPRGKRZSA-N	1	0	270.203	3.927	10	30		CHEERO
C=CCOCc1oc2ccccc2c1C[NH2+]C(C)C	ZINC000052599057	518996166	/nfs/dbraw/zinc/99/61/66/518996166.db2.gz	LYQLTYHRVGTKRA-UHFFFAOYSA-N	1	0	259.349	3.633	10	30		CHEERO
C[C@@H]1CCC[C@@H](SCc2ccc(C#CC[NH3+])cc2)C1	ZINC000054694522	524320660	/nfs/dbraw/zinc/32/06/60/524320660.db2.gz	KIWVWQZASHRMAI-RHSMWYFYSA-N	1	0	273.445	3.809	10	30		CHEERO
SCC[NH2+]CCCCCOC1CCCCCCC1	ZINC000005413429	526388794	/nfs/dbraw/zinc/38/87/94/526388794.db2.gz	WTUQKOJHRFMWNY-UHFFFAOYSA-N	1	0	273.486	3.806	10	30		CHEERO
N#C[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21	ZINC000054825440	526512083	/nfs/dbraw/zinc/51/20/83/526512083.db2.gz	YUKFPUHUEGSRCF-HYVNUMGLSA-N	1	0	254.377	3.736	10	30		CHEERO
C=C1c2[nH]c3ccccc3c2C[N@H+]2CC[C@H]1/C(=C\C)C2	ZINC000000897978	526910720	/nfs/dbraw/zinc/91/07/20/526910720.db2.gz	LCVACABZTLIWCE-CRAFIKPXSA-N	1	0	264.372	3.963	10	30	biogenic,in-vitro	CHEERO
CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1	ZINC000675059800	570365726	/nfs/dbraw/zinc/36/57/26/570365726.db2.gz	MWVZOCDXRVIHEU-YHNBSYBMSA-N	1	0	265.441	3.654	10	30		CHEERO
CCCCCCCC[C@@]1(C[NH2+]C2CC2)CCOC1	ZINC000104089000	185894057	/nfs/dbraw/zinc/89/40/57/185894057.db2.gz	TZENQQJYNYXPHR-INIZCTEOSA-N	1	0	253.430	3.896	10	30		CHEERO
CCCCCCCC[NH2+]Cc1ccc(O)cc1O	ZINC000106250594	186105348	/nfs/dbraw/zinc/10/53/48/186105348.db2.gz	XEXWYJBDBCSBNF-UHFFFAOYSA-N	1	0	251.370	3.548	10	30		CHEERO
CCCCCCC[C@@]1(C[NH2+]CC(C)C)CCOC1	ZINC000110213506	186288764	/nfs/dbraw/zinc/28/87/64/186288764.db2.gz	WCRUCDBGKHFOBO-INIZCTEOSA-N	1	0	255.446	3.999	10	30		CHEERO
C#CC[NH2+][C@@H](C)c1ccc(OCCC)c(OCCC)c1	ZINC000019875586	170904878	/nfs/dbraw/zinc/90/48/78/170904878.db2.gz	XWWYPMFKSAILOI-AWEZNQCLSA-N	1	0	275.392	3.548	10	30		CHEERO
C=CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1	ZINC000020873737	171277078	/nfs/dbraw/zinc/27/70/78/171277078.db2.gz	UJCMWKLRQCYAPE-UHFFFAOYSA-N	1	0	267.372	3.850	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(C#N)c1	ZINC000037303477	260081973	/nfs/dbraw/zinc/08/19/73/260081973.db2.gz	WFTQOWVUHWJBLZ-SUMWQHHRSA-N	1	0	278.355	3.733	10	30		CHEERO
CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc2O1	ZINC000185856008	327848171	/nfs/dbraw/zinc/84/81/71/327848171.db2.gz	JNLDCQDWWQXDQD-DZKIICNBSA-N	1	0	284.403	3.961	10	30		CHEERO
C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C	ZINC000181742574	329236296	/nfs/dbraw/zinc/23/62/96/329236296.db2.gz	FMLXGUMDSYDGRI-HNNXBMFYSA-N	1	0	299.462	3.547	10	30		CHEERO
C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)c(F)c1	ZINC000173427002	332971361	/nfs/dbraw/zinc/97/13/61/332971361.db2.gz	PELLWCNTDMZFCU-ZDUSSCGKSA-N	1	0	271.310	3.667	10	30		CHEERO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1F	ZINC000185862085	333150574	/nfs/dbraw/zinc/15/05/74/333150574.db2.gz	SNCVRVAHKRAGRR-YDHLFZDLSA-N	1	0	260.356	3.867	10	30		CHEERO
Cc1nc([C@@H]2CCCN2Cc2cc(C#N)cs2)cs1	ZINC000189934309	333200713	/nfs/dbraw/zinc/20/07/13/333200713.db2.gz	ILSIBNNWGMXWBJ-AWEZNQCLSA-N	1	0	289.429	3.722	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1	ZINC000061891013	333474793	/nfs/dbraw/zinc/47/47/93/333474793.db2.gz	CBEBDMAFFXSFPN-GOEBONIOSA-N	1	0	256.393	3.766	10	30		CHEERO
C=CCCOCc1cc(C)c(C[NH2+]C(C)(C)C)o1	ZINC000052599765	518704787	/nfs/dbraw/zinc/70/47/87/518704787.db2.gz	BEGQUBXOUVJTHD-UHFFFAOYSA-N	1	0	251.370	3.569	10	30		CHEERO
CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054825788	519271927	/nfs/dbraw/zinc/27/19/27/519271927.db2.gz	ZCVZUOGDNWUFEW-ZBFHGGJFSA-N	1	0	256.393	3.636	10	30		CHEERO
Cc1csc([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000156971172	526421521	/nfs/dbraw/zinc/42/15/21/526421521.db2.gz	VBLQXVKRIVGJBG-MRXNPFEDSA-N	1	0	297.427	3.703	10	30		CHEERO
C#CCOc1ccccc1C[NH2+]CCCCCCC	ZINC000100678746	567217244	/nfs/dbraw/zinc/21/72/44/567217244.db2.gz	WSHCWUMJXCQFHQ-UHFFFAOYSA-N	1	0	259.393	3.759	10	30		CHEERO
Cc1ccc(C(=O)C[N+](C)(C)C2CCCC2)cc1C	ZINC000057939883	717131115	/nfs/dbraw/zinc/13/11/15/717131115.db2.gz	WKXWZAYTJFGDFJ-UHFFFAOYSA-N	1	0	260.401	3.505	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2ccccc2)cc1C	ZINC000104162298	1126764321	/nfs/dbraw/zinc/76/43/21/1126764321.db2.gz	OLKUZBYKWRHREG-DLBZAZTESA-N	1	0	279.387	3.586	10	30		CHEERO
N#CCCCC[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1	ZINC000191685839	1125327323	/nfs/dbraw/zinc/32/73/23/1125327323.db2.gz	ASGZFGLOQVWWFM-ZDUSSCGKSA-N	1	0	278.346	3.838	10	30		CHEERO
C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1	ZINC000192941263	533509918	/nfs/dbraw/zinc/50/99/18/533509918.db2.gz	HGOZQYGOOSAXBM-BEFAXECRSA-N	1	0	293.414	3.512	10	30		CHEERO
CCN/C(Cc1ccc(Cl)cc1Cl)=[NH+]\CC	ZINC000029462508	171598958	/nfs/dbraw/zinc/59/89/58/171598958.db2.gz	NRHDSMKUTKKZER-UHFFFAOYSA-N	1	0	259.180	3.564	10	30		CHEERO
C=C(C)COc1ccc(Br)cc1C[C@@H]([NH3+])CC	ZINC000037725390	173644126	/nfs/dbraw/zinc/64/41/26/173644126.db2.gz	SSNHXFKLKUMTHV-ZDUSSCGKSA-N	1	0	298.224	3.684	10	30		CHEERO
C=C1c2ccc(O)cc2[C@]23CCCC[C@@H]2[C@H]1[N@H+](C)CC3	ZINC000077287238	177249272	/nfs/dbraw/zinc/24/92/72/177249272.db2.gz	GNDGFLGDUVAUMO-NJAFHUGGSA-N	1	0	269.388	3.551	10	30	in-vitro	CHEERO
C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000336722909	328158643	/nfs/dbraw/zinc/15/86/43/328158643.db2.gz	AZCGGOOCFQGUJN-MNOVXSKESA-N	1	0	281.197	3.792	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1	ZINC000248853699	329900784	/nfs/dbraw/zinc/90/07/84/329900784.db2.gz	PBDNPZSRSTUYPW-SRCQZFHVSA-N	1	0	272.367	3.875	10	30		CHEERO
CC[C@H](C)c1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1	ZINC000263194313	330048530	/nfs/dbraw/zinc/04/85/30/330048530.db2.gz	ZPCRIGIFTFZQFH-XDTLVQLUSA-N	1	0	281.350	3.580	10	30		CHEERO
C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400340704	331423408	/nfs/dbraw/zinc/42/34/08/331423408.db2.gz	IQXAVOKXSXYGDM-ILXRZTDVSA-N	1	0	296.455	3.576	10	30		CHEERO
N#C[C@H]1CCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000061892002	333475036	/nfs/dbraw/zinc/47/50/36/333475036.db2.gz	KWRNGXDERHVDOQ-FKFRUQKQSA-N	1	0	274.795	3.868	10	30		CHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000061892004	333475056	/nfs/dbraw/zinc/47/50/56/333475056.db2.gz	KWRNGXDERHVDOQ-ADNDVJRGSA-N	1	0	274.795	3.868	10	30		CHEERO
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1	ZINC000036991862	525577815	/nfs/dbraw/zinc/57/78/15/525577815.db2.gz	UVCQNWKYLYEFQW-SUMWQHHRSA-N	1	0	278.355	3.733	10	30		CHEERO
Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000156980514	526421728	/nfs/dbraw/zinc/42/17/28/526421728.db2.gz	HUANGJINBNHEFI-MRXNPFEDSA-N	1	0	297.427	3.703	10	30		CHEERO
C#CCOc1ccc(C[NH2+]CCCCCCC)cc1	ZINC000100678748	567217821	/nfs/dbraw/zinc/21/78/21/567217821.db2.gz	UALAORMSAKHUKD-UHFFFAOYSA-N	1	0	259.393	3.759	10	30		CHEERO
C#CCOc1ccc(Cl)cc1C[NH2+]CCCCC	ZINC000045945746	570412498	/nfs/dbraw/zinc/41/24/98/570412498.db2.gz	VCHPVRRKIIMDQC-UHFFFAOYSA-N	1	0	265.784	3.632	10	30		CHEERO
Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)CC3	ZINC000329612770	1119451072	/nfs/dbraw/zinc/45/10/72/1119451072.db2.gz	DRVBOBLNKKEPLJ-CPUCHLNUSA-N	1	0	293.414	3.616	10	30		CHEERO
CCCCCCCCN1CCCC[C@@H]1C[NH2+]C1CC1	ZINC000104449582	186006159	/nfs/dbraw/zinc/00/61/59/186006159.db2.gz	BDAFFHNZASYODJ-QGZVFWFLSA-N	1	0	266.473	3.953	10	30		CHEERO
CCCCCCCC[N@@H+]1C[C@H](CC)NC[C@@H]1CC	ZINC000106169112	186103975	/nfs/dbraw/zinc/10/39/75/186103975.db2.gz	DQZHXBWPIQKTDZ-HOTGVXAUSA-N	1	0	254.462	3.809	10	30		CHEERO
C=CCc1cc(C[NH2+]C(C)(C)C)cc(OC)c1OCC	ZINC000013731130	170583161	/nfs/dbraw/zinc/58/31/61/170583161.db2.gz	XXSCMMVKUCMRPL-UHFFFAOYSA-N	1	0	277.408	3.711	10	30		CHEERO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)[C@@H]1COc2ccccc21	ZINC000183355241	329247229	/nfs/dbraw/zinc/24/72/29/329247229.db2.gz	CFZVXDGZEUNLKA-XUJVJEKNSA-N	1	0	298.411	3.835	10	30		CHEERO
Cc1ccc(NC(=[NH2+])N[C@@H]2CCC23CCCC3)cc1C	ZINC000263265976	330051103	/nfs/dbraw/zinc/05/11/03/330051103.db2.gz	NSDRTUOOIPDYNP-OAHLLOKOSA-N	1	0	271.408	3.753	10	30		CHEERO
C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000044673994	330331553	/nfs/dbraw/zinc/33/15/53/330331553.db2.gz	FBJGZOWOUZHWPU-XWIAVFTESA-N	1	0	262.356	3.765	10	30		CHEERO
C=CCCCCC[N@H+]1CCC[C@@H](n2ccnc2CC)C1	ZINC000193338717	333248420	/nfs/dbraw/zinc/24/84/20/333248420.db2.gz	DYOIFQXQMKNJRW-MRXNPFEDSA-N	1	0	275.440	3.829	10	30		CHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1	ZINC000061890953	333474800	/nfs/dbraw/zinc/47/48/00/333474800.db2.gz	NUWSBNAEXMPXEJ-IKJBURDNSA-N	1	0	268.404	3.995	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+][C@H](C)CC	ZINC000045945808	518330282	/nfs/dbraw/zinc/33/02/82/518330282.db2.gz	AFTSXMIPNZUFLH-CQSZACIVSA-N	1	0	267.372	3.740	10	30		CHEERO
CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCCCC#N	ZINC000062730820	518763616	/nfs/dbraw/zinc/76/36/16/518763616.db2.gz	RGPHOFDLMIHCQC-UHFFFAOYSA-N	1	0	280.799	3.911	10	30		CHEERO
Cc1ccccc1CSCc1sccc1C#CC[NH3+]	ZINC000054964565	525183172	/nfs/dbraw/zinc/18/31/72/525183172.db2.gz	LINHDFMHIJJEOX-UHFFFAOYSA-N	1	0	287.453	3.800	10	30		CHEERO
CCCCCCCn1cc([C@@H](CC)[NH2+]CC)cn1	ZINC000103683338	185854772	/nfs/dbraw/zinc/85/47/72/185854772.db2.gz	MTACJQUUNWTSGR-OAHLLOKOSA-N	1	0	251.418	3.914	10	30		CHEERO
C=CCOc1ccc(Cl)cc1C[NH2+]CC(C)C	ZINC000006375945	170195891	/nfs/dbraw/zinc/19/58/91/170195891.db2.gz	VBHGTZHPZDPNNY-UHFFFAOYSA-N	1	0	253.773	3.650	10	30		CHEERO
C#CCOc1ccccc1C[NH2+][C@@H](C)CCCCC	ZINC000035134095	172000315	/nfs/dbraw/zinc/00/03/15/172000315.db2.gz	LWVUOSRTABOGIK-HNNXBMFYSA-N	1	0	259.393	3.757	10	30		CHEERO
CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)s1	ZINC000166029813	331306539	/nfs/dbraw/zinc/30/65/39/331306539.db2.gz	YFRTYVGXCNILDK-AAEUAGOBSA-N	1	0	262.422	3.827	10	30		CHEERO
C=CCOc1c(Br)cccc1C[NH2+]C(C)(C)C	ZINC000062733528	519004377	/nfs/dbraw/zinc/00/43/77/519004377.db2.gz	KNOPNVFLDLCBNT-UHFFFAOYSA-N	1	0	298.224	3.902	10	30		CHEERO
CCCCCCCCCC(=O)NCC[C@H]1CCCC[NH2+]1	ZINC000115855518	519978259	/nfs/dbraw/zinc/97/82/59/519978259.db2.gz	XLONPNJCAHFWJL-MRXNPFEDSA-N	1	0	282.472	3.776	10	30		CHEERO
CCCCCCC[NH2+]C[C@@H](c1cccs1)N(C)C	ZINC000059090698	520056253	/nfs/dbraw/zinc/05/62/53/520056253.db2.gz	YOLLBEHBPBIMRY-AWEZNQCLSA-N	1	0	268.470	3.911	10	30		CHEERO
C[NH2+][C@H](C)c1ccc(N(CCC#N)C(C)C)c(Cl)c1	ZINC000061697625	522446359	/nfs/dbraw/zinc/44/63/59/522446359.db2.gz	JVJBFUXYOOQKIX-GFCCVEGCSA-N	1	0	279.815	3.749	10	30		CHEERO
C[C@@H]1CCC[C@H](SCc2cc(C#CC[NH3+])cs2)C1	ZINC000054694596	524412891	/nfs/dbraw/zinc/41/28/91/524412891.db2.gz	VLMJVVKCXRSJQP-OCCSQVGLSA-N	1	0	279.474	3.870	10	30		CHEERO
CCN/C(=[NH+]\CC)SC[C@H]1CCC2(CCCCC2)O1	ZINC000191698517	528828647	/nfs/dbraw/zinc/82/86/47/528828647.db2.gz	CZHWSSLXBKBEKT-CYBMUJFWSA-N	1	0	284.469	3.587	10	30		CHEERO
CC[C@@H]1C[NH+](CCCCC2(C#N)CCC2)C[C@@H](CC)O1	ZINC000675079057	567026113	/nfs/dbraw/zinc/02/61/13/567026113.db2.gz	DVWGSPIRYKXBOV-HZPDHXFCSA-N	1	0	278.440	3.740	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+]CCCC	ZINC000045945595	570412583	/nfs/dbraw/zinc/41/25/83/570412583.db2.gz	BYXGFAZPPNULPI-UHFFFAOYSA-N	1	0	267.372	3.742	10	30		CHEERO
C(#Cc1ccncc1)CC[N@H+]1CC=C(c2ccccc2)CC1	ZINC000001533847	581093354	/nfs/dbraw/zinc/09/33/54/581093354.db2.gz	VPUYNZMAEQVXFX-UHFFFAOYSA-N	1	0	288.394	3.613	10	30		CHEERO
C=CCCCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000033754376	171820024	/nfs/dbraw/zinc/82/00/24/171820024.db2.gz	SEUOKNLZMRSBLL-UHFFFAOYSA-O	1	0	283.480	3.506	10	30	in-man	CHEERO
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(C#N)c1	ZINC000037303481	260081785	/nfs/dbraw/zinc/08/17/85/260081785.db2.gz	WFTQOWVUHWJBLZ-GUYCJALGSA-N	1	0	278.355	3.733	10	30		CHEERO
C=CC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000127673086	264263352	/nfs/dbraw/zinc/26/33/52/264263352.db2.gz	KWYKASWZUTWZGQ-LBPRGKRZSA-N	1	0	250.411	3.632	10	30		CHEERO
CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2nccs2)C1	ZINC000174838449	329163856	/nfs/dbraw/zinc/16/38/56/329163856.db2.gz	WESTYKZBHUYDAY-CYBMUJFWSA-N	1	0	277.437	3.652	10	30		CHEERO
CC(C)c1cccc(NC(=[NH2+])N[C@@H]2COc3ccccc32)c1	ZINC000262685804	330026981	/nfs/dbraw/zinc/02/69/81/330026981.db2.gz	UYVHHZUNDWLKBV-MRXNPFEDSA-N	1	0	295.386	3.670	10	30		CHEERO
CC(C)c1cccc(NC(=[NH2+])NCc2cnc(C3CC3)o2)c1	ZINC000263184691	330047980	/nfs/dbraw/zinc/04/79/80/330047980.db2.gz	URLQBLLOBTWELF-UHFFFAOYSA-N	1	0	298.390	3.602	10	30		CHEERO
CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C#N)s2)c1	ZINC000263200323	330048786	/nfs/dbraw/zinc/04/87/86/330048786.db2.gz	XDPVGJGNVDYPAW-UHFFFAOYSA-N	1	0	298.415	3.670	10	30		CHEERO
C=CCCCCCNC1(c2noc(CC)n2)CCCC1	ZINC000193363370	333248667	/nfs/dbraw/zinc/24/86/67/333248667.db2.gz	SOMSKSIUCZRFQS-UHFFFAOYSA-N	1	0	277.412	3.737	10	30		CHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1	ZINC000061890952	333474722	/nfs/dbraw/zinc/47/47/22/333474722.db2.gz	NUWSBNAEXMPXEJ-JYSRZZCRSA-N	1	0	268.404	3.995	10	30		CHEERO
Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](C)C2	ZINC000248866874	334320164	/nfs/dbraw/zinc/32/01/64/334320164.db2.gz	QENYCEAJJRVHMJ-GZOSKZMVSA-N	1	0	268.404	3.900	10	30		CHEERO
C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1nc2ccccc2n1C	ZINC000090050785	334356405	/nfs/dbraw/zinc/35/64/05/334356405.db2.gz	HWHZDBQJGGQEQH-CABCVRRESA-N	1	0	285.435	3.696	10	30		CHEERO
C=C(Br)COc1ccccc1C[NH2+]C(C)(C)C	ZINC000062729252	518585832	/nfs/dbraw/zinc/58/58/32/518585832.db2.gz	KZXYFZGGMZZCQR-UHFFFAOYSA-N	1	0	298.224	3.862	10	30		CHEERO
CC[NH2+][C@@H](C)c1ccc(N(C)C[C@@H](C)C#N)c(Cl)c1	ZINC000061697447	520076797	/nfs/dbraw/zinc/07/67/97/520076797.db2.gz	HWUQZZOGHNDTCV-RYUDHWBXSA-N	1	0	279.815	3.606	10	30		CHEERO
CC[N+](CC)(CC)CC(F)(F)C(F)(F)C(F)(F)F	ZINC000072266199	567902516	/nfs/dbraw/zinc/90/25/16/567902516.db2.gz	QWGJABLFNOMUCB-UHFFFAOYSA-N	1	0	284.239	3.696	10	30		CHEERO
C=CC[N@H+](Cc1cccnc1)Cc1ccnc2ccccc12	ZINC000065428918	570335899	/nfs/dbraw/zinc/33/58/99/570335899.db2.gz	ZGWPATDRPOZLQJ-UHFFFAOYSA-N	1	0	289.382	3.818	10	30		CHEERO
C#CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)C	ZINC000045945527	570412465	/nfs/dbraw/zinc/41/24/65/570412465.db2.gz	CIHIGLLDMIPGLV-UHFFFAOYSA-N	1	0	267.372	3.740	10	30		CHEERO