smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1	ZINC000169975434	187304252	/nfs/dbraw/zinc/30/42/52/187304252.db2.gz	GYBFWVBWDAPOOK-CYBMUJFWSA-N	1	1	217.316	2.845	50	30		BFEAMO
C=C(C)CN1CC[N@H+](C)CC12CCCCC2	ZINC000081597466	187360983	/nfs/dbraw/zinc/36/09/83/187360983.db2.gz	NUBNNNCQVAXVSH-UHFFFAOYSA-N	1	1	222.376	2.513	50	30		BFEAMO
C=CCC[N@@H+](Cc1ccncc1)C1CC1	ZINC000093222361	166262415	/nfs/dbraw/zinc/26/24/15/166262415.db2.gz	HACGZECVUSDMMM-UHFFFAOYSA-N	1	1	202.301	2.622	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@H]1Cc1ccccc1	ZINC000055504921	181036203	/nfs/dbraw/zinc/03/62/03/181036203.db2.gz	RKIBMTDZOXMVPC-HNNXBMFYSA-N	1	1	228.339	2.997	50	30		BFEAMO
C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(SC)c1	ZINC000252484261	363371387	/nfs/dbraw/zinc/37/13/87/363371387.db2.gz	FTEGYSVNDBSUKI-LLVKDONJSA-N	1	1	249.379	2.871	50	30		BFEAMO
C#CC[NH2+]Cc1ccc(Cl)cc1Cl	ZINC000019875405	356485136	/nfs/dbraw/zinc/48/51/36/356485136.db2.gz	BJXNVEGAWLTJGS-UHFFFAOYSA-N	1	1	214.095	2.716	50	30		BFEAMO
C[N@@H+]1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1	ZINC000012336371	370848942	/nfs/dbraw/zinc/84/89/42/370848942.db2.gz	HNOKHIURIJOQKM-UHFFFAOYSA-N	1	1	237.306	2.758	50	30		BFEAMO
CC(C)SCC[N@@H+]1CCC[C@@](C)(C#N)C1	ZINC000619781274	369585096	/nfs/dbraw/zinc/58/50/96/369585096.db2.gz	JGKUOFPXRXGVSX-LBPRGKRZSA-N	1	1	226.389	2.754	50	30		BFEAMO
CC(C)SCC[N@H+]1CCC[C@@](C)(C#N)C1	ZINC000619781274	369585098	/nfs/dbraw/zinc/58/50/98/369585098.db2.gz	JGKUOFPXRXGVSX-LBPRGKRZSA-N	1	1	226.389	2.754	50	30		BFEAMO
CC#CC[NH2+]C1(c2nccs2)CCCC1	ZINC000081594305	205466464	/nfs/dbraw/zinc/46/64/64/205466464.db2.gz	GYUKYOLGMXLLNJ-UHFFFAOYSA-N	1	1	220.341	2.525	50	30		BFEAMO
C=C(Cl)C[N@@H+](C)[C@H](CCO)c1ccccc1	ZINC000075899979	388365038	/nfs/dbraw/zinc/36/50/38/388365038.db2.gz	GMFRAIZJHRTONK-CYBMUJFWSA-N	1	1	239.746	2.794	50	30		BFEAMO
C=C(Cl)C[N@H+](C)[C@H](CCO)c1ccccc1	ZINC000075899979	388365039	/nfs/dbraw/zinc/36/50/39/388365039.db2.gz	GMFRAIZJHRTONK-CYBMUJFWSA-N	1	1	239.746	2.794	50	30		BFEAMO
COCC#CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1	ZINC000089929883	388373069	/nfs/dbraw/zinc/37/30/69/388373069.db2.gz	CMVJSFPNAKVAMC-KGLIPLIRSA-N	1	1	247.338	2.702	50	30		BFEAMO
C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C	ZINC000000344098	166359338	/nfs/dbraw/zinc/35/93/38/166359338.db2.gz	IPBZWOHTYPFMTH-LLVKDONJSA-N	1	1	247.338	2.809	50	30		BFEAMO
COc1ccc(C[N@@H+](CCCC#N)C2CC2)cc1	ZINC000049975066	175097730	/nfs/dbraw/zinc/09/77/30/175097730.db2.gz	YRNHUWKJPZYUHL-UHFFFAOYSA-N	1	1	244.338	2.963	50	30		BFEAMO
ON=C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000012505510	322819680	/nfs/dbraw/zinc/81/96/80/322819680.db2.gz	HIKQQCHCHAFXGT-UHFFFAOYSA-N	1	1	238.718	2.766	50	30		BFEAMO
C[NH+]=C(Nc1ccccc1OC)c1ccccc1	ZINC000035728640	342757394	/nfs/dbraw/zinc/75/73/94/342757394.db2.gz	PRDLUPOMSMEGFJ-UHFFFAOYSA-N	1	1	240.306	2.993	50	30		BFEAMO
CCCCCCCCC[NH+]1CCNCC1	ZINC000022026804	343037046	/nfs/dbraw/zinc/03/70/46/343037046.db2.gz	JXSIBFCQEWUEDI-UHFFFAOYSA-N	1	1	212.381	2.642	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000004987570	343273552	/nfs/dbraw/zinc/27/35/52/343273552.db2.gz	QQVARLSXVZRUCB-HOTGVXAUSA-N	1	1	249.398	2.993	50	30		BFEAMO
C(=N\CCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000003159712	344520930	/nfs/dbraw/zinc/52/09/30/344520930.db2.gz	HQCVPLFPWAIRQF-NFLUSIDLSA-N	1	1	242.326	2.661	50	30		BFEAMO
Cc1cccc(C)c1C[NH2+][C@H](C)CC#N	ZINC000166514150	344918240	/nfs/dbraw/zinc/91/82/40/344918240.db2.gz	NLSIVAHLBVPOSR-GFCCVEGCSA-N	1	1	202.301	2.695	50	30		BFEAMO
C=C(C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C	ZINC000010275956	188051905	/nfs/dbraw/zinc/05/19/05/188051905.db2.gz	YGSLCTYFUZSBLX-UHFFFAOYSA-N	1	1	246.354	2.750	50	30		BFEAMO
C=C(C)C[N@H+](C)CC(=O)Nc1c(C)cccc1C	ZINC000010275956	188051907	/nfs/dbraw/zinc/05/19/07/188051907.db2.gz	YGSLCTYFUZSBLX-UHFFFAOYSA-N	1	1	246.354	2.750	50	30		BFEAMO
N#Cc1ccc(N2Cc3ccccc3C2=[NH2+])cc1	ZINC000020078852	181117588	/nfs/dbraw/zinc/11/75/88/181117588.db2.gz	OXHONHMXJLMDGR-UHFFFAOYSA-N	1	1	233.274	2.904	50	30		BFEAMO
N#Cc1ccccc1C[NH+]1CC(c2cccnc2)C1	ZINC000072128367	181145913	/nfs/dbraw/zinc/14/59/13/181145913.db2.gz	IBZDJGJVCXDFJT-UHFFFAOYSA-N	1	1	249.317	2.553	50	30		BFEAMO
O/N=C1/CC[C@@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000034115022	385051952	/nfs/dbraw/zinc/05/19/52/385051952.db2.gz	LTSLFNBPLYFMAG-UTBUBNTNSA-N	1	1	236.359	2.881	50	30		BFEAMO
C=CCC1(CC=C)CCC[N@H+]1Cc1ncc[nH]1	ZINC000065375964	388260225	/nfs/dbraw/zinc/26/02/25/388260225.db2.gz	WYQRUTIGWZSXIR-UHFFFAOYSA-N	1	1	231.343	2.897	50	30		BFEAMO
CC[N@@H+](CCCC#N)C[C@@H](O)c1ccc(C)cc1	ZINC000076015789	388369333	/nfs/dbraw/zinc/36/93/33/388369333.db2.gz	UKUMRCOILPLEAK-OAHLLOKOSA-N	1	1	246.354	2.654	50	30		BFEAMO
C#CC[N@@H+]1CCC[C@@]2(CCO[C@@](C)(CC)C2)C1	ZINC000058189448	388377629	/nfs/dbraw/zinc/37/76/29/388377629.db2.gz	YZKWUMWYGAQFHQ-GJZGRUSLSA-N	1	1	235.371	2.681	50	30	biogenic	BFEAMO
Cc1cc(C)c(/[NH+]=C2\CCCN2C)c(C#N)c1	ZINC000100647101	410294506	/nfs/dbraw/zinc/29/45/06/410294506.db2.gz	BRTDTMMWVNVOLY-DTQAZKPQSA-N	1	1	227.311	2.931	50	30		BFEAMO
C=CC[NH+](CC=C)Cc1ccccc1OC	ZINC000004599753	166337742	/nfs/dbraw/zinc/33/77/42/166337742.db2.gz	AEHRTODRTUMJCR-UHFFFAOYSA-N	1	1	217.312	2.869	50	30		BFEAMO
CC[C@@H]1C[N@@H+](CCCCC#N)CCS1	ZINC000076072996	171078406	/nfs/dbraw/zinc/07/84/06/171078406.db2.gz	HNVLDJOAMSKXQH-LLVKDONJSA-N	1	1	212.362	2.508	50	30		BFEAMO
CC[C@@H]1c2ccccc2CC[N@H+]1CCC#N	ZINC000071907879	171162323	/nfs/dbraw/zinc/16/23/23/171162323.db2.gz	AFVTTYNZOZEAQJ-CQSZACIVSA-N	1	1	214.312	2.909	50	30		BFEAMO
CC[C@@H]1c2ccccc2CC[N@@H+]1CCC#N	ZINC000071907879	171162329	/nfs/dbraw/zinc/16/23/29/171162329.db2.gz	AFVTTYNZOZEAQJ-CQSZACIVSA-N	1	1	214.312	2.909	50	30		BFEAMO
C[C@@H]1CC[N@@H+](CCC#N)[C@@H]2CCCC[C@@H]12	ZINC000229649828	176168171	/nfs/dbraw/zinc/16/81/71/176168171.db2.gz	YUBPZRYARLEOFT-FRRDWIJNSA-N	1	1	206.333	2.801	50	30		BFEAMO
C[C@@H]1C/C(=N/O)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000012416444	177266044	/nfs/dbraw/zinc/26/60/44/177266044.db2.gz	VJXBICUWSHNVFV-WDHIUNPCSA-N	1	1	232.327	2.747	50	30		BFEAMO
CS[C@@H]1CCC[C@H]1[N@@H+](C)CCCCC#N	ZINC000107584902	487820109	/nfs/dbraw/zinc/82/01/09/487820109.db2.gz	LWKZJABMWPGPEN-VXGBXAGGSA-N	1	1	226.389	2.896	50	30		BFEAMO
CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCCCC#N	ZINC000107584898	487820162	/nfs/dbraw/zinc/82/01/62/487820162.db2.gz	LWKZJABMWPGPEN-NWDGAFQWSA-N	1	1	226.389	2.896	50	30		BFEAMO
CC(C)[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)O	ZINC000084597277	488069405	/nfs/dbraw/zinc/06/94/05/488069405.db2.gz	LRGSEJXQKLHHQI-UHFFFAOYSA-N	1	1	246.354	2.540	50	30		BFEAMO
C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccco2)o1	ZINC000058013806	518600452	/nfs/dbraw/zinc/60/04/52/518600452.db2.gz	KFVFRSQTUGRAKK-UHFFFAOYSA-N	1	1	247.298	2.728	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1nnc(-c2ccco2)o1	ZINC000058013806	518600460	/nfs/dbraw/zinc/60/04/60/518600460.db2.gz	KFVFRSQTUGRAKK-UHFFFAOYSA-N	1	1	247.298	2.728	50	30		BFEAMO
C=C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1	ZINC000253418849	518663759	/nfs/dbraw/zinc/66/37/59/518663759.db2.gz	BBYZCFSLSJAGAR-CQSZACIVSA-N	1	1	222.376	2.513	50	30		BFEAMO
[NH2+]=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000096026726	526812257	/nfs/dbraw/zinc/81/22/57/526812257.db2.gz	CGHFZKMZCISGOY-UHFFFAOYSA-N	1	1	241.250	2.632	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[NH+]2CCOCC2)CC1	ZINC000023281333	632770499	/nfs/dbraw/zinc/77/04/99/632770499.db2.gz	LKTHUGNSRDBLRF-AWEZNQCLSA-N	1	1	221.344	2.621	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[NH+]2CCOCC2)CC1	ZINC000023281335	632771554	/nfs/dbraw/zinc/77/15/54/632771554.db2.gz	LKTHUGNSRDBLRF-CQSZACIVSA-N	1	1	221.344	2.621	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]2CO)CC1	ZINC000004021094	633930426	/nfs/dbraw/zinc/93/04/26/633930426.db2.gz	FGWKUVQCXOEULL-CABCVRRESA-N	1	1	235.371	2.746	50	30		BFEAMO
CC[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCO1	ZINC000042337931	361980854	/nfs/dbraw/zinc/98/08/54/361980854.db2.gz	WCHYCUQZVDITEC-OAHLLOKOSA-N	1	1	244.338	2.559	50	30		BFEAMO
CC[N@H+](Cc1ccccc1C#N)C[C@H]1CCCO1	ZINC000042337931	361980856	/nfs/dbraw/zinc/98/08/56/361980856.db2.gz	WCHYCUQZVDITEC-OAHLLOKOSA-N	1	1	244.338	2.559	50	30		BFEAMO
ON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000034428635	343270620	/nfs/dbraw/zinc/27/06/20/343270620.db2.gz	KFSOYEAOVNOZNU-OKILXGFUSA-N	1	1	230.311	2.644	50	30	in-vitro	BFEAMO
C=C(C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000071878777	187260446	/nfs/dbraw/zinc/26/04/46/187260446.db2.gz	VWDZOMSASZLVKI-CYBMUJFWSA-N	1	1	233.359	2.750	50	30		BFEAMO
CCC=C(N)[NH+]=Nc1nc2ccccc2s1	ZINC000080345614	187264760	/nfs/dbraw/zinc/26/47/60/187264760.db2.gz	OTEXYJYNIJROST-GORDUTHDSA-N	1	1	232.312	2.557	50	30		BFEAMO
N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000039214362	181044951	/nfs/dbraw/zinc/04/49/51/181044951.db2.gz	QLRIWGFJEARQCE-AWEZNQCLSA-N	1	1	214.312	2.812	50	30		BFEAMO
N#Cc1ccc([C@H]2CCCc3c[nH+]cn32)cc1	ZINC000001851916	181129714	/nfs/dbraw/zinc/12/97/14/181129714.db2.gz	CLPFFLWZZBQMAO-CQSZACIVSA-N	1	1	223.279	2.680	50	30	in-man	BFEAMO
C[C@H](C1CC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000035207514	356033221	/nfs/dbraw/zinc/03/32/21/356033221.db2.gz	KGZWSCYORIKQTL-LLVKDONJSA-N	1	1	214.312	2.789	50	30		BFEAMO
C[C@H](O)C[N@@H+](CCCCC#N)C1CCCCC1	ZINC000069918631	384831095	/nfs/dbraw/zinc/83/10/95/384831095.db2.gz	OAWSXLDWFDKCPS-ZDUSSCGKSA-N	1	1	238.375	2.696	50	30		BFEAMO
CCO[C@H]1C[C@H]([N@H+](C)CCC#N)C12CCCC2	ZINC000096419752	385149270	/nfs/dbraw/zinc/14/92/70/385149270.db2.gz	ZBFVWFLWNHNFCC-STQMWFEESA-N	1	1	236.359	2.570	50	30		BFEAMO
CCO[C@H]1C[C@H]([N@@H+](C)CCC#N)C12CCCC2	ZINC000096419752	385149276	/nfs/dbraw/zinc/14/92/76/385149276.db2.gz	ZBFVWFLWNHNFCC-STQMWFEESA-N	1	1	236.359	2.570	50	30		BFEAMO
C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1	ZINC000089361423	387299214	/nfs/dbraw/zinc/29/92/14/387299214.db2.gz	PFDWFQHCCGQYIC-UHFFFAOYSA-N	1	1	226.279	2.783	50	30		BFEAMO
C=CC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1	ZINC000096424434	166345940	/nfs/dbraw/zinc/34/59/40/166345940.db2.gz	KVVUZZWSZJXQDX-AWEZNQCLSA-N	1	1	235.302	2.510	50	30		BFEAMO
C=C(C)C[N@H+](C)CCc1ccc(OC)c(OC)c1	ZINC000048368190	411191531	/nfs/dbraw/zinc/19/15/31/411191531.db2.gz	ZTQNWVYGQHFYNI-UHFFFAOYSA-N	1	1	249.354	2.754	50	30		BFEAMO
CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](C#N)CCC#N	ZINC000080660051	171127715	/nfs/dbraw/zinc/12/77/15/171127715.db2.gz	MKPAVUYJAQDDIT-RWMBFGLXSA-N	1	1	219.332	2.550	50	30		BFEAMO
C[C@H]1C[N@@H+](CCc2ccccc2)[C@@H](C)C/C1=N/O	ZINC000004712815	177254802	/nfs/dbraw/zinc/25/48/02/177254802.db2.gz	RSOJDXFITJOAFZ-CRQJOFGKSA-N	1	1	246.354	2.790	50	30		BFEAMO
C[N@@H+](CCCC#N)CCc1ccc(F)cc1	ZINC000055023571	490261086	/nfs/dbraw/zinc/26/10/86/490261086.db2.gz	YIPLGJDCPRGEMO-UHFFFAOYSA-N	1	1	220.291	2.604	50	30		BFEAMO
C=CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000328600532	518656096	/nfs/dbraw/zinc/65/60/96/518656096.db2.gz	YJSYEBGLPVAYIZ-NEPJUHHUSA-N	1	1	236.359	2.782	50	30		BFEAMO
N#C[C@H](C1CCCC1)[NH+]1CCCCCC1	ZINC000034924991	526508389	/nfs/dbraw/zinc/50/83/89/526508389.db2.gz	MDVRVFBOHNBGHG-CYBMUJFWSA-N	1	1	206.333	2.945	50	30		BFEAMO
C=C(C)C[C@H]1CC=C[C@H](CC(=C)C)[N@H+]1CCO	ZINC000005092633	636120442	/nfs/dbraw/zinc/12/04/42/636120442.db2.gz	IVXINRRYVFFQLP-HUUCEWRRSA-N	1	1	235.371	2.910	50	30		BFEAMO
CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000042422279	361997094	/nfs/dbraw/zinc/99/70/94/361997094.db2.gz	GLCSIRRINDHYCQ-HNNXBMFYSA-N	1	1	244.338	2.559	50	30		BFEAMO
C=C(C)C[N@H+](C)Cc1cccc(OC)c1OC	ZINC000040473616	187355068	/nfs/dbraw/zinc/35/50/68/187355068.db2.gz	IAKDQHGPVAEITK-UHFFFAOYSA-N	1	1	235.327	2.712	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)cc1	ZINC000000277062	346406052	/nfs/dbraw/zinc/40/60/52/346406052.db2.gz	OPBCCIKQSDQUED-UHFFFAOYSA-N	1	1	247.338	2.871	50	30		BFEAMO
N#CCCC[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000050266835	181035806	/nfs/dbraw/zinc/03/58/06/181035806.db2.gz	KZOXCBSLZCPWKY-AWEZNQCLSA-N	1	1	214.312	2.780	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1	ZINC000055504923	181036164	/nfs/dbraw/zinc/03/61/64/181036164.db2.gz	RKIBMTDZOXMVPC-OAHLLOKOSA-N	1	1	228.339	2.997	50	30		BFEAMO
C=CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000130743026	166396660	/nfs/dbraw/zinc/39/66/60/166396660.db2.gz	JYYRWVVLZZWJPR-UKRRQHHQSA-N	1	1	236.403	2.805	50	30		BFEAMO
O/N=C1\CC[C@@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000004977169	384091136	/nfs/dbraw/zinc/09/11/36/384091136.db2.gz	LTSLFNBPLYFMAG-IDNUSFOCSA-N	1	1	236.359	2.881	50	30		BFEAMO
O/N=C1\CC[C@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000004977168	384092398	/nfs/dbraw/zinc/09/23/98/384092398.db2.gz	LTSLFNBPLYFMAG-ZZDFFKCPSA-N	1	1	236.359	2.881	50	30		BFEAMO
O/N=C1/CC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000000366982	384142814	/nfs/dbraw/zinc/14/28/14/384142814.db2.gz	LTSLFNBPLYFMAG-PNZORISLSA-N	1	1	236.359	2.881	50	30		BFEAMO
N#Cc1csc(C[N@H+]2CCCSCC2)c1	ZINC000097113617	384369874	/nfs/dbraw/zinc/36/98/74/384369874.db2.gz	KDSBYNZSELATAU-UHFFFAOYSA-N	1	1	238.381	2.559	50	30		BFEAMO
CCO[C@@H]1C[C@@H]([N@H+](C)CCC#N)C12CCCC2	ZINC000096419753	385149151	/nfs/dbraw/zinc/14/91/51/385149151.db2.gz	ZBFVWFLWNHNFCC-CHWSQXEVSA-N	1	1	236.359	2.570	50	30		BFEAMO
CCO[C@@H]1C[C@@H]([N@@H+](C)CCC#N)C12CCCC2	ZINC000096419753	385149154	/nfs/dbraw/zinc/14/91/54/385149154.db2.gz	ZBFVWFLWNHNFCC-CHWSQXEVSA-N	1	1	236.359	2.570	50	30		BFEAMO
C[N@@H+](Cc1cccc(C#N)c1)C1CCCC1	ZINC000037022447	388084929	/nfs/dbraw/zinc/08/49/29/388084929.db2.gz	CIKHYSHQZAVDFQ-UHFFFAOYSA-N	1	1	214.312	2.933	50	30		BFEAMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1	ZINC000042240479	388274847	/nfs/dbraw/zinc/27/48/47/388274847.db2.gz	QLCJMLLLTXBHEV-HNNXBMFYSA-N	1	1	244.338	2.559	50	30		BFEAMO
C#CC[N@@H+]1CCC[C@]2(CCO[C@](C)(CC)C2)C1	ZINC000058189445	388377777	/nfs/dbraw/zinc/37/77/77/388377777.db2.gz	YZKWUMWYGAQFHQ-HUUCEWRRSA-N	1	1	235.371	2.681	50	30	biogenic	BFEAMO
C=C(C)C[N@H+]1CCCC[C@H]1Cn1cc(C)cn1	ZINC000071878572	388447313	/nfs/dbraw/zinc/44/73/13/388447313.db2.gz	TXOGOARVJGFGRC-AWEZNQCLSA-N	1	1	233.359	2.622	50	30		BFEAMO
C=CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1	ZINC000130743230	166397281	/nfs/dbraw/zinc/39/72/81/166397281.db2.gz	JYYRWVVLZZWJPR-DZGCQCFKSA-N	1	1	236.403	2.805	50	30		BFEAMO
C=CCC[C@H](O)C[N@@H+]1CCCC[C@H](SC)C1	ZINC000246961143	518726234	/nfs/dbraw/zinc/72/62/34/518726234.db2.gz	UYYJJBGJANYLBL-STQMWFEESA-N	1	1	243.416	2.531	50	30		BFEAMO
N[NH+]=C(c1ccccc1)c1cc(Cl)ccc1N	ZINC000242701887	527269038	/nfs/dbraw/zinc/26/90/38/527269038.db2.gz	WPRRWTZCKYTGRJ-UHFFFAOYSA-N	1	1	245.713	2.633	50	30		BFEAMO
CC[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1	ZINC000042337930	361980506	/nfs/dbraw/zinc/98/05/06/361980506.db2.gz	WCHYCUQZVDITEC-HNNXBMFYSA-N	1	1	244.338	2.559	50	30		BFEAMO
CC[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1	ZINC000042337930	361980510	/nfs/dbraw/zinc/98/05/10/361980510.db2.gz	WCHYCUQZVDITEC-HNNXBMFYSA-N	1	1	244.338	2.559	50	30		BFEAMO
C=C(C)[C@H]1CC=C(CN2CC[NH+](C)CC2)CC1	ZINC000022586667	187207063	/nfs/dbraw/zinc/20/70/63/187207063.db2.gz	XSAHZPXCUZAEIA-HNNXBMFYSA-N	1	1	234.387	2.536	50	30		BFEAMO
Cc1csc(C[NH2+]Cc2cccc(C#N)c2)n1	ZINC000030635963	343189191	/nfs/dbraw/zinc/18/91/91/343189191.db2.gz	KMVIDLFTFCQKIV-UHFFFAOYSA-N	1	1	243.335	2.613	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000000219494	343269582	/nfs/dbraw/zinc/26/95/82/343269582.db2.gz	QQVARLSXVZRUCB-CVEARBPZSA-N	1	1	249.398	2.993	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](CO)C2)CC1	ZINC000004022280	343273086	/nfs/dbraw/zinc/27/30/86/343273086.db2.gz	QQVARLSXVZRUCB-HZPDHXFCSA-N	1	1	249.398	2.993	50	30		BFEAMO
Cc1ccc(NCc2cccc(C#N)c2)[nH+]c1	ZINC000037489172	178763676	/nfs/dbraw/zinc/76/36/76/178763676.db2.gz	KQZNAIVAABDSRT-UHFFFAOYSA-N	1	1	223.279	2.874	50	30		BFEAMO
C=CC[N@H+](C)Cc1cnn(Cc2ccccc2)c1	ZINC000044890621	352477728	/nfs/dbraw/zinc/47/77/28/352477728.db2.gz	CXWVWJZQKIBLGU-UHFFFAOYSA-N	1	1	241.338	2.549	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000035174422	181035755	/nfs/dbraw/zinc/03/57/55/181035755.db2.gz	HWNDORSIEYMORI-OLZOCXBDSA-N	1	1	206.333	2.945	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccccc1O	ZINC000000277570	355893245	/nfs/dbraw/zinc/89/32/45/355893245.db2.gz	SZXPPOKZNFWDST-UHFFFAOYSA-N	1	1	205.301	2.790	50	30		BFEAMO
C=C(C)C[N@H+](CC)C1CCN(CCC)CC1	ZINC000000279659	355893598	/nfs/dbraw/zinc/89/35/98/355893598.db2.gz	CSYDINQCPOWTHV-UHFFFAOYSA-N	1	1	224.392	2.759	50	30		BFEAMO
CC(C)SCC[N@@H+]1CCC[C@](C)(C#N)C1	ZINC000619781273	541365851	/nfs/dbraw/zinc/36/58/51/541365851.db2.gz	JGKUOFPXRXGVSX-GFCCVEGCSA-N	1	1	226.389	2.754	50	30		BFEAMO
CC(C)SCC[N@H+]1CCC[C@](C)(C#N)C1	ZINC000619781273	541365861	/nfs/dbraw/zinc/36/58/61/541365861.db2.gz	JGKUOFPXRXGVSX-GFCCVEGCSA-N	1	1	226.389	2.754	50	30		BFEAMO
C=CC[NH2+][C@]1(c2cccs2)CCCCC1=O	ZINC000096027866	371378581	/nfs/dbraw/zinc/37/85/81/371378581.db2.gz	MKGQQPZQNLMNMD-CYBMUJFWSA-N	1	1	235.352	2.862	50	30		BFEAMO
CC[C@H]1c2ccccc2CC[N@H+]1CCC#N	ZINC000071907880	384156625	/nfs/dbraw/zinc/15/66/25/384156625.db2.gz	AFVTTYNZOZEAQJ-AWEZNQCLSA-N	1	1	214.312	2.909	50	30		BFEAMO
CC[C@H]1c2ccccc2CC[N@@H+]1CCC#N	ZINC000071907880	384156632	/nfs/dbraw/zinc/15/66/32/384156632.db2.gz	AFVTTYNZOZEAQJ-AWEZNQCLSA-N	1	1	214.312	2.909	50	30		BFEAMO
CC1(C)C[N@@H+](CCCC#N)CC2(CCCC2)O1	ZINC000190981054	386141545	/nfs/dbraw/zinc/14/15/45/386141545.db2.gz	CNUYGONKHWOHCS-UHFFFAOYSA-N	1	1	236.359	2.714	50	30		BFEAMO
CC[C@H]1C[N@@H+](CCCCC#N)CCS1	ZINC000076072999	388372974	/nfs/dbraw/zinc/37/29/74/388372974.db2.gz	HNVLDJOAMSKXQH-NSHDSACASA-N	1	1	212.362	2.508	50	30		BFEAMO
C#CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1	ZINC000097374438	166192604	/nfs/dbraw/zinc/19/26/04/166192604.db2.gz	KTLBOFZFAJQXPQ-SECBINFHSA-N	1	1	222.357	2.724	50	30		BFEAMO
C=CC[N@H+](C)[C@H](C)c1ccccc1OC	ZINC000047886949	166325092	/nfs/dbraw/zinc/32/50/92/166325092.db2.gz	HIMKOFKWRVLYEQ-LLVKDONJSA-N	1	1	205.301	2.874	50	30		BFEAMO
C=C(Cl)C[N@@H+](C)[C@@H](CCO)c1ccccc1	ZINC000075899977	187261377	/nfs/dbraw/zinc/26/13/77/187261377.db2.gz	GMFRAIZJHRTONK-ZDUSSCGKSA-N	1	1	239.746	2.794	50	30		BFEAMO
C=C(Cl)C[N@H+](C)[C@@H](CCO)c1ccccc1	ZINC000075899977	187261378	/nfs/dbraw/zinc/26/13/78/187261378.db2.gz	GMFRAIZJHRTONK-ZDUSSCGKSA-N	1	1	239.746	2.794	50	30		BFEAMO
CC(C)(O)C#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000000519809	346963699	/nfs/dbraw/zinc/96/36/99/346963699.db2.gz	HSUBGAWSLFNFIW-CZUORRHYSA-N	1	1	249.398	2.661	50	30	biogenic	BFEAMO
C=C(C)C[N@H+](CC)Cc1cn2ccccc2n1	ZINC000061758730	187360842	/nfs/dbraw/zinc/36/08/42/187360842.db2.gz	ILWBQOQMEKGXDL-UHFFFAOYSA-N	1	1	229.327	2.732	50	30		BFEAMO
Cc1[nH+]cn(Cc2ccc(F)c(C#N)c2)c1C	ZINC000176860178	345905483	/nfs/dbraw/zinc/90/54/83/345905483.db2.gz	VTZAASQHANEYDG-UHFFFAOYSA-N	1	1	229.258	2.559	50	30		BFEAMO
C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC)c1	ZINC000040473613	188291842	/nfs/dbraw/zinc/29/18/42/188291842.db2.gz	WNFYTHNALFYEEY-UHFFFAOYSA-N	1	1	235.327	2.712	50	30		BFEAMO
N#CCCC[N@H+]1CC[C@@H](c2ccccc2)C1	ZINC000050266834	181036177	/nfs/dbraw/zinc/03/61/77/181036177.db2.gz	KZOXCBSLZCPWKY-CQSZACIVSA-N	1	1	214.312	2.780	50	30		BFEAMO
N#Cc1ccc([C@@H]2CCCc3c[nH+]cn32)cc1	ZINC000000006398	181130686	/nfs/dbraw/zinc/13/06/86/181130686.db2.gz	CLPFFLWZZBQMAO-AWEZNQCLSA-N	1	1	223.279	2.680	50	30	in-man	BFEAMO
CC1(C)C[C@]2(CCC[N@@H+](CCC#N)C2)CCO1	ZINC000001764281	358447948	/nfs/dbraw/zinc/44/79/48/358447948.db2.gz	KHWAEWQNTJDFAN-AWEZNQCLSA-N	1	1	236.359	2.571	50	30	biogenic	BFEAMO
[NH2+]=C1NC(=Nc2ccccc2F)c2ccccc21	ZINC000004801733	181337595	/nfs/dbraw/zinc/33/75/95/181337595.db2.gz	FOGIFYUPOMDYNM-UHFFFAOYSA-N	1	1	239.253	2.623	50	30		BFEAMO
C[C@H](C1CC1)[N@@H+](CCC#N)C[C@H]1CCC=CO1	ZINC000252539683	363841247	/nfs/dbraw/zinc/84/12/47/363841247.db2.gz	OIOUTVUEKAZJHD-TZMCWYRMSA-N	1	1	234.343	2.693	50	30		BFEAMO
ON=C1CC[C@@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000252619892	364155681	/nfs/dbraw/zinc/15/56/81/364155681.db2.gz	LTSLFNBPLYFMAG-VXGBXAGGSA-N	1	1	236.359	2.881	50	30		BFEAMO
C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H](SC)C1	ZINC000134550916	386424216	/nfs/dbraw/zinc/42/42/16/386424216.db2.gz	UYYJJBGJANYLBL-OLZOCXBDSA-N	1	1	243.416	2.531	50	30		BFEAMO
C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C	ZINC000000344093	166358817	/nfs/dbraw/zinc/35/88/17/166358817.db2.gz	IPBZWOHTYPFMTH-NSHDSACASA-N	1	1	247.338	2.809	50	30	biogenic	BFEAMO
COc1ccc(C[NH+]2CCC(C#N)CC2)c(F)c1	ZINC000215383434	175098438	/nfs/dbraw/zinc/09/84/38/175098438.db2.gz	CCUHNNSDARVUEV-UHFFFAOYSA-N	1	1	248.301	2.570	50	30		BFEAMO
C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097375299	177045245	/nfs/dbraw/zinc/04/52/45/177045245.db2.gz	SWNADYMZACLQJP-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097375299	177045246	/nfs/dbraw/zinc/04/52/46/177045246.db2.gz	SWNADYMZACLQJP-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H]1C[N@@H+](CCc2ccccc2)[C@@H](C)C/C1=N/O	ZINC000004712813	177060987	/nfs/dbraw/zinc/06/09/87/177060987.db2.gz	RSOJDXFITJOAFZ-JJLJGCLUSA-N	1	1	246.354	2.790	50	30		BFEAMO
C[C@]1(C#N)CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000670450502	487500685	/nfs/dbraw/zinc/50/06/85/487500685.db2.gz	JJFAFISUKAOGPZ-MRXNPFEDSA-N	1	1	240.350	2.779	50	30		BFEAMO
C[C@@H]1CC[N@@H+](CCC#N)[C@H]2CCCC[C@@H]12	ZINC000242305016	524504059	/nfs/dbraw/zinc/50/40/59/524504059.db2.gz	YUBPZRYARLEOFT-AGIUHOORSA-N	1	1	206.333	2.801	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@H]2CO)CC1	ZINC000008553312	636859578	/nfs/dbraw/zinc/85/95/78/636859578.db2.gz	FGWKUVQCXOEULL-GJZGRUSLSA-N	1	1	235.371	2.746	50	30		BFEAMO
CC(C)(C)C1=CC(=O)C[N@@H+](C(C)(C)C)C1	ZINC000004343938	342746888	/nfs/dbraw/zinc/74/68/88/342746888.db2.gz	BBFSUMGWYSYJOV-UHFFFAOYSA-N	1	1	209.333	2.642	50	30		BFEAMO
CC(C)(C)C1=CC(=O)C[N@H+](C(C)(C)C)C1	ZINC000004343938	342746889	/nfs/dbraw/zinc/74/68/89/342746889.db2.gz	BBFSUMGWYSYJOV-UHFFFAOYSA-N	1	1	209.333	2.642	50	30		BFEAMO
C[N@@H+](CCCCC#N)Cc1ccccc1	ZINC000002532333	342722988	/nfs/dbraw/zinc/72/29/88/342722988.db2.gz	UAKXCSBKOLSQJP-UHFFFAOYSA-N	1	1	202.301	2.812	50	30		BFEAMO
CCOc1ccc(NC2=[NH+]CCCS2)cc1	ZINC000003330664	342732649	/nfs/dbraw/zinc/73/26/49/342732649.db2.gz	GUTMGLXKZQVYEY-UHFFFAOYSA-N	1	1	236.340	2.799	50	30		BFEAMO
ON=C1CC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000252619889	345551990	/nfs/dbraw/zinc/55/19/90/345551990.db2.gz	LTSLFNBPLYFMAG-NEPJUHHUSA-N	1	1	236.359	2.881	50	30		BFEAMO
Cc1cccc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)n1	ZINC000592101840	347734237	/nfs/dbraw/zinc/73/42/37/347734237.db2.gz	UASVNSQRAIXBRL-HNNXBMFYSA-N	1	1	243.354	2.558	50	30		BFEAMO
Cc1cccc(CC[N@H+]2CCC[C@@](C)(C#N)C2)n1	ZINC000592101840	347734241	/nfs/dbraw/zinc/73/42/41/347734241.db2.gz	UASVNSQRAIXBRL-HNNXBMFYSA-N	1	1	243.354	2.558	50	30		BFEAMO
Cc1nc(C[NH+]2CCC(C)(C#N)CC2)sc1C	ZINC000227352705	350492967	/nfs/dbraw/zinc/49/29/67/350492967.db2.gz	IDKROOYJDAQHPB-UHFFFAOYSA-N	1	1	249.383	2.886	50	30		BFEAMO
N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)o1	ZINC000335630712	181109116	/nfs/dbraw/zinc/10/91/16/181109116.db2.gz	FQGGTUHODHVXLT-VXGBXAGGSA-N	1	1	222.263	2.522	50	30		BFEAMO
C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1C#N	ZINC000035207510	356032971	/nfs/dbraw/zinc/03/29/71/356032971.db2.gz	HECWDYPHTBCQJH-LLVKDONJSA-N	1	1	214.312	2.789	50	30		BFEAMO
N=C1NC(=[NH+]c2ccc(F)cc2)c2ccccc21	ZINC000005731777	181337601	/nfs/dbraw/zinc/33/76/01/181337601.db2.gz	ZMTAZNALQHNNRR-UHFFFAOYSA-N	1	1	239.253	2.623	50	30		BFEAMO
N#CCC[N@@H+](CC1CC1)[C@@H]1C=CCCC1	ZINC000078993140	384713572	/nfs/dbraw/zinc/71/35/72/384713572.db2.gz	YEDSSGUUMACNFF-CYBMUJFWSA-N	1	1	204.317	2.721	50	30		BFEAMO
O/N=C1\CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000216580365	385868445	/nfs/dbraw/zinc/86/84/45/385868445.db2.gz	YGUBLIFXKQYDAG-LPPHJRPXSA-N	1	1	244.338	2.749	50	30		BFEAMO
C[C@@H](C1CC1)[N@H+](CCC#N)Cc1ccncc1	ZINC000095401531	388766286	/nfs/dbraw/zinc/76/62/86/388766286.db2.gz	RCJQWSGKAGXYFS-LBPRGKRZSA-N	1	1	229.327	2.596	50	30		BFEAMO
C[C@@H](C1CC1)[N@@H+](CCC#N)Cc1ccncc1	ZINC000095401531	388766289	/nfs/dbraw/zinc/76/62/89/388766289.db2.gz	RCJQWSGKAGXYFS-LBPRGKRZSA-N	1	1	229.327	2.596	50	30		BFEAMO
C=CC[N@H+](CC)Cc1ccc(OC)c(OC)c1	ZINC000044889312	166326110	/nfs/dbraw/zinc/32/61/10/166326110.db2.gz	DPBSUXBPDQCBQC-UHFFFAOYSA-N	1	1	235.327	2.712	50	30		BFEAMO
C=CC[N@H+](CCCCOC)C1CCCC1	ZINC000095398353	166342043	/nfs/dbraw/zinc/34/20/43/166342043.db2.gz	VPAWCIMJEFOIHC-UHFFFAOYSA-N	1	1	211.349	2.844	50	30		BFEAMO
C=CCCCCC[N@@H+]1CC[S@](=O)CC[C@H]1C	ZINC000328587679	518699436	/nfs/dbraw/zinc/69/94/36/518699436.db2.gz	FBSSBVXFSQVUCN-CZUORRHYSA-N	1	1	243.416	2.576	50	30		BFEAMO
CC[N@@H+]1C=CC=C/C1=C\C=C1C=CC(=O)C=C1	ZINC000334157228	521543435	/nfs/dbraw/zinc/54/34/35/521543435.db2.gz	XJEYJUGDHHMEKL-NTEUORMPSA-N	1	1	225.291	2.897	50	30		BFEAMO
CC[N@H+]1C=CC=C/C1=C\C=C1C=CC(=O)C=C1	ZINC000334157228	521543440	/nfs/dbraw/zinc/54/34/40/521543440.db2.gz	XJEYJUGDHHMEKL-NTEUORMPSA-N	1	1	225.291	2.897	50	30		BFEAMO
C=C[C@H]1CC[N@H+](Cc2cc3c(cc2C)OCO3)C1	ZINC000820443846	968475296	/nfs/dbraw/zinc/47/52/96/968475296.db2.gz	UMHRBRJPOLXJHU-LBPRGKRZSA-N	1	1	245.322	2.732	50	30		BFEAMO
C=CC[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000004487197	398293637	/nfs/dbraw/zinc/29/36/37/398293637.db2.gz	GEUWGBLPUIZVDB-UHFFFAOYSA-N	1	1	249.701	2.666	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1c(C)noc1C	ZINC000061758666	187361353	/nfs/dbraw/zinc/36/13/53/187361353.db2.gz	NWSKRANUQJGQKR-UHFFFAOYSA-N	1	1	208.305	2.689	50	30		BFEAMO
Cc1ccccc1C[N@@H+](C)CCCC#N	ZINC000042223686	179269946	/nfs/dbraw/zinc/26/99/46/179269946.db2.gz	YAQZDPAMHBJQFS-UHFFFAOYSA-N	1	1	202.301	2.731	50	30		BFEAMO
CC1(C)C[C@@]2(CCC[N@@H+](CCC#N)C2)CCO1	ZINC000001764283	191113832	/nfs/dbraw/zinc/11/38/32/191113832.db2.gz	KHWAEWQNTJDFAN-CQSZACIVSA-N	1	1	236.359	2.571	50	30	biogenic	BFEAMO
C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1	ZINC000002765135	188008433	/nfs/dbraw/zinc/00/84/33/188008433.db2.gz	CZVYGACHBZEEEF-UHFFFAOYSA-N	1	1	246.354	2.913	50	30		BFEAMO
C=CCn1cc(C[N@@H+]2CC[C@H](CCC)C2)c(C)n1	ZINC000055119058	353348395	/nfs/dbraw/zinc/34/83/95/353348395.db2.gz	NIXZTRXOZVVTAR-AWEZNQCLSA-N	1	1	247.386	3.000	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000035174421	181036171	/nfs/dbraw/zinc/03/61/71/181036171.db2.gz	HWNDORSIEYMORI-CHWSQXEVSA-N	1	1	206.333	2.945	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](CO)C2)CC1	ZINC000004022279	355352567	/nfs/dbraw/zinc/35/25/67/355352567.db2.gz	QQVARLSXVZRUCB-JKSUJKDBSA-N	1	1	249.398	2.993	50	30		BFEAMO
O/N=C1\CC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000013154725	384348920	/nfs/dbraw/zinc/34/89/20/384348920.db2.gz	LTSLFNBPLYFMAG-JMTOIOOESA-N	1	1	236.359	2.881	50	30		BFEAMO
O/N=C1/CC[C@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000036038149	387593520	/nfs/dbraw/zinc/59/35/20/387593520.db2.gz	LTSLFNBPLYFMAG-SWLSLZBESA-N	1	1	236.359	2.881	50	30		BFEAMO
C[N@@H+]1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1	ZINC000169677494	387905025	/nfs/dbraw/zinc/90/50/25/387905025.db2.gz	QLJMWTYZMRDCLL-UHFFFAOYSA-N	1	1	237.306	2.758	50	30		BFEAMO
COCC#CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1	ZINC000089929884	388372930	/nfs/dbraw/zinc/37/29/30/388372930.db2.gz	CMVJSFPNAKVAMC-KBPBESRZSA-N	1	1	247.338	2.702	50	30		BFEAMO
C(=N/CCCC/[NH+]=C/c1ccc[nH]1)\c1ccc[nH]1	ZINC000100336827	166229563	/nfs/dbraw/zinc/22/95/63/166229563.db2.gz	HQCVPLFPWAIRQF-JOBJLJCHSA-N	1	1	242.326	2.661	50	30		BFEAMO
C=CC[NH+](CC=C)Cc1cc(OC)ccc1OC	ZINC000004548355	166334218	/nfs/dbraw/zinc/33/42/18/166334218.db2.gz	NUVSYXCOFJGPDP-UHFFFAOYSA-N	1	1	247.338	2.878	50	30		BFEAMO
C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1	ZINC000096424435	166343870	/nfs/dbraw/zinc/34/38/70/166343870.db2.gz	KVVUZZWSZJXQDX-CQSZACIVSA-N	1	1	235.302	2.510	50	30		BFEAMO
CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](C#N)CCC#N	ZINC000195532099	171118201	/nfs/dbraw/zinc/11/82/01/171118201.db2.gz	MKPAVUYJAQDDIT-JHJVBQTASA-N	1	1	219.332	2.550	50	30		BFEAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C/C1=N\O	ZINC000009330858	176306417	/nfs/dbraw/zinc/30/64/17/176306417.db2.gz	VJXBICUWSHNVFV-GHMKZFAXSA-N	1	1	232.327	2.747	50	30		BFEAMO
C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097113668	177042567	/nfs/dbraw/zinc/04/25/67/177042567.db2.gz	XXBQKONBQRXTNB-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097113668	177042569	/nfs/dbraw/zinc/04/25/69/177042569.db2.gz	XXBQKONBQRXTNB-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C/C1=N/O	ZINC000012416442	177060918	/nfs/dbraw/zinc/06/09/18/177060918.db2.gz	VJXBICUWSHNVFV-JLYMINNFSA-N	1	1	232.327	2.747	50	30		BFEAMO
C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C/C1=N/O	ZINC000012416447	177265743	/nfs/dbraw/zinc/26/57/43/177265743.db2.gz	VJXBICUWSHNVFV-FXPBBYGFSA-N	1	1	232.327	2.747	50	30		BFEAMO
N#C[C@@H](C1CCCC1)[NH+]1CCCCCC1	ZINC000034924990	526495484	/nfs/dbraw/zinc/49/54/84/526495484.db2.gz	MDVRVFBOHNBGHG-ZDUSSCGKSA-N	1	1	206.333	2.945	50	30		BFEAMO
C=C(C)C[C@@H]1C=CC[C@@H](CC(=C)C)[N@@H+]1CCO	ZINC000000229096	636202288	/nfs/dbraw/zinc/20/22/88/636202288.db2.gz	IVXINRRYVFFQLP-GJZGRUSLSA-N	1	1	235.371	2.910	50	30		BFEAMO
C=C1CCC[N@H+](Cc2nc3c(s2)CCC3)C1	ZINC000667619413	987247290	/nfs/dbraw/zinc/24/72/90/987247290.db2.gz	KBICGUDQQFYQLI-UHFFFAOYSA-N	1	1	234.368	2.784	50	30		BFEAMO
C=C1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1	ZINC000667619413	987247308	/nfs/dbraw/zinc/24/73/08/987247308.db2.gz	KBICGUDQQFYQLI-UHFFFAOYSA-N	1	1	234.368	2.784	50	30		BFEAMO
O/N=C1\CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000102071863	344428250	/nfs/dbraw/zinc/42/82/50/344428250.db2.gz	YGUBLIFXKQYDAG-RNJZADNYSA-N	1	1	244.338	2.749	50	30		BFEAMO
Cc1ccsc1C[N@@H+](C)CCCC#N	ZINC000048368172	344588692	/nfs/dbraw/zinc/58/86/92/344588692.db2.gz	RSVLSZQVTOVWLZ-UHFFFAOYSA-N	1	1	208.330	2.792	50	30		BFEAMO
C[C@@H](C1CC1)[N@@H+](CCC#N)C[C@H]1CCC=CO1	ZINC000252539682	363841331	/nfs/dbraw/zinc/84/13/31/363841331.db2.gz	OIOUTVUEKAZJHD-GXTWGEPZSA-N	1	1	234.343	2.693	50	30		BFEAMO
ON=C1CC[C@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000252619891	364155732	/nfs/dbraw/zinc/15/57/32/364155732.db2.gz	LTSLFNBPLYFMAG-RYUDHWBXSA-N	1	1	236.359	2.881	50	30		BFEAMO
Cc1ccc(C)c(/[NH+]=C2\CCCN2C)c1C#N	ZINC000000171368	383864749	/nfs/dbraw/zinc/86/47/49/383864749.db2.gz	QGGWQHCIFBNOMV-DTQAZKPQSA-N	1	1	227.311	2.931	50	30		BFEAMO
CCN(CC)c1ccc(C[NH2+]CCC#N)cc1	ZINC000019736881	384534096	/nfs/dbraw/zinc/53/40/96/384534096.db2.gz	VOAATGBAGYSFRA-UHFFFAOYSA-N	1	1	231.343	2.536	50	30		BFEAMO
C=C(C)C[N@H+](C)[C@H](C)c1cccc(O)c1	ZINC000071892974	384513491	/nfs/dbraw/zinc/51/34/91/384513491.db2.gz	FCJUYETWKCNUQV-LLVKDONJSA-N	1	1	205.301	2.961	50	30		BFEAMO
C=CC[N@H+](C)[C@@H](C)c1ccccc1OC	ZINC000047886947	166324867	/nfs/dbraw/zinc/32/48/67/166324867.db2.gz	HIMKOFKWRVLYEQ-NSHDSACASA-N	1	1	205.301	2.874	50	30		BFEAMO
C=CC[N@@H+](CC)Cc1ccc(C#N)cc1F	ZINC000047724965	166326685	/nfs/dbraw/zinc/32/66/85/166326685.db2.gz	SXJNVYSGEMMRHF-UHFFFAOYSA-N	1	1	218.275	2.705	50	30		BFEAMO
C=CC[N@H+](CC)Cc1ccc(C#N)cc1F	ZINC000047724965	166326688	/nfs/dbraw/zinc/32/66/88/166326688.db2.gz	SXJNVYSGEMMRHF-UHFFFAOYSA-N	1	1	218.275	2.705	50	30		BFEAMO
C=CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000058016297	166357192	/nfs/dbraw/zinc/35/71/92/166357192.db2.gz	BCDWMTHARICJQQ-ZDUSSCGKSA-N	1	1	245.322	2.781	50	30		BFEAMO
CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C#N)CCC#N	ZINC000195532101	171127241	/nfs/dbraw/zinc/12/72/41/171127241.db2.gz	MKPAVUYJAQDDIT-YNEHKIRRSA-N	1	1	219.332	2.550	50	30		BFEAMO
C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097113703	176035535	/nfs/dbraw/zinc/03/55/35/176035535.db2.gz	NKEVAUXYUUWQST-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097113703	176035536	/nfs/dbraw/zinc/03/55/36/176035536.db2.gz	NKEVAUXYUUWQST-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C/C1=N\O	ZINC000009330864	177266845	/nfs/dbraw/zinc/26/68/45/177266845.db2.gz	VJXBICUWSHNVFV-RFAVTROOSA-N	1	1	232.327	2.747	50	30		BFEAMO
C[C@@]1(C#N)CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000670450501	487500662	/nfs/dbraw/zinc/50/06/62/487500662.db2.gz	JJFAFISUKAOGPZ-INIZCTEOSA-N	1	1	240.350	2.779	50	30		BFEAMO
C=CCCCCC[N@@H+]1CC[S@@](=O)CC[C@@H]1C	ZINC000328587677	518699831	/nfs/dbraw/zinc/69/98/31/518699831.db2.gz	FBSSBVXFSQVUCN-BBRMVZONSA-N	1	1	243.416	2.576	50	30		BFEAMO
CC[C@H]1CC[N@H+]1CC(=O)NCCc1ccccc1	ZINC000328596276	523172988	/nfs/dbraw/zinc/17/29/88/523172988.db2.gz	ACWRKTFINGQXJP-AWEZNQCLSA-N	1	1	246.354	2.670	50	30		BFEAMO
CC[C@@H]1CC[N@H+]1CC(=O)NCCc1ccccc1	ZINC000328596277	523338476	/nfs/dbraw/zinc/33/84/76/523338476.db2.gz	ACWRKTFINGQXJP-CQSZACIVSA-N	1	1	246.354	2.670	50	30		BFEAMO
Nc1ccccc1C=[NH+]Nc1ccccc1	ZINC000254819267	527524164	/nfs/dbraw/zinc/52/41/64/527524164.db2.gz	LCPNCBSCOIMOBC-UHFFFAOYSA-N	1	1	211.268	2.715	50	30		BFEAMO
CCc1ccc(NC2=[NH+]CCCS2)cc1	ZINC000003268503	342731895	/nfs/dbraw/zinc/73/18/95/342731895.db2.gz	OSKCNZZSIHVFTH-UHFFFAOYSA-N	1	1	220.341	2.963	50	30		BFEAMO
Cc1cccc(N2CCC(CC#N)CC2)[nH+]1	ZINC000195566931	347647127	/nfs/dbraw/zinc/64/71/27/347647127.db2.gz	ADSQKNOQABWTJH-UHFFFAOYSA-N	1	1	215.300	2.520	50	30		BFEAMO
N#CCCCC[N@H+]1CCC[C@H]1c1ccc[nH]1	ZINC000169975429	188161994	/nfs/dbraw/zinc/16/19/94/188161994.db2.gz	GYBFWVBWDAPOOK-ZDUSSCGKSA-N	1	1	217.316	2.845	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000035174418	181036146	/nfs/dbraw/zinc/03/61/46/181036146.db2.gz	HWNDORSIEYMORI-QWHCGFSZSA-N	1	1	206.333	2.945	50	30		BFEAMO
C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000035207513	356033021	/nfs/dbraw/zinc/03/30/21/356033021.db2.gz	KGZWSCYORIKQTL-NSHDSACASA-N	1	1	214.312	2.789	50	30		BFEAMO
C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1C#N	ZINC000035207509	356033147	/nfs/dbraw/zinc/03/31/47/356033147.db2.gz	HECWDYPHTBCQJH-NSHDSACASA-N	1	1	214.312	2.789	50	30		BFEAMO
C=C(C)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000071878776	383994496	/nfs/dbraw/zinc/99/44/96/383994496.db2.gz	VWDZOMSASZLVKI-ZDUSSCGKSA-N	1	1	233.359	2.750	50	30		BFEAMO
Cc1cccc(C#N)c1/[NH+]=C1\CCCN1C	ZINC000003151430	385175101	/nfs/dbraw/zinc/17/51/01/385175101.db2.gz	AQWLLFMZTAYQOA-NTCAYCPXSA-N	1	1	213.284	2.622	50	30		BFEAMO
C=C(C)CN1C[C@@H](C)[NH+](CC(=C)C)[C@H](C)C1	ZINC000191139219	387348019	/nfs/dbraw/zinc/34/80/19/387348019.db2.gz	YYQARNHGAHEMRM-ZIAGYGMSSA-N	1	1	222.376	2.533	50	30		BFEAMO
CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000042422278	388093261	/nfs/dbraw/zinc/09/32/61/388093261.db2.gz	GLCSIRRINDHYCQ-OAHLLOKOSA-N	1	1	244.338	2.559	50	30		BFEAMO
C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)nc1	ZINC000170616790	166110722	/nfs/dbraw/zinc/11/07/22/166110722.db2.gz	FAWKLNSEQOHPCU-UHFFFAOYSA-N	1	1	222.719	2.579	50	30		BFEAMO
C=CC[NH+](CC=C)Cc1ccc(OC)cc1OC	ZINC000020058135	166334597	/nfs/dbraw/zinc/33/45/97/166334597.db2.gz	PPDLJHCDYZAQCC-UHFFFAOYSA-N	1	1	247.338	2.878	50	30		BFEAMO
C=CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000058016294	166355490	/nfs/dbraw/zinc/35/54/90/166355490.db2.gz	BCDWMTHARICJQQ-CYBMUJFWSA-N	1	1	245.322	2.781	50	30		BFEAMO
CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](C#N)CCC#N	ZINC000080660057	171116976	/nfs/dbraw/zinc/11/69/76/171116976.db2.gz	MKPAVUYJAQDDIT-FRRDWIJNSA-N	1	1	219.332	2.550	50	30		BFEAMO
C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097113704	177050035	/nfs/dbraw/zinc/05/00/35/177050035.db2.gz	NKEVAUXYUUWQST-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097113704	177050037	/nfs/dbraw/zinc/05/00/37/177050037.db2.gz	NKEVAUXYUUWQST-LLVKDONJSA-N	1	1	241.294	2.739	50	30		BFEAMO
C=CCCCCC[N@@H+]1CC[S@](=O)CC[C@@H]1C	ZINC000328587680	518700402	/nfs/dbraw/zinc/70/04/02/518700402.db2.gz	FBSSBVXFSQVUCN-XJKSGUPXSA-N	1	1	243.416	2.576	50	30		BFEAMO
C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H](SC)C1	ZINC000246961130	518725986	/nfs/dbraw/zinc/72/59/86/518725986.db2.gz	UYYJJBGJANYLBL-QWHCGFSZSA-N	1	1	243.416	2.531	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](O)C2)CC1	ZINC000023281833	632770163	/nfs/dbraw/zinc/77/01/63/632770163.db2.gz	WDPXODBODZAIGF-HUUCEWRRSA-N	1	1	235.371	2.746	50	30		BFEAMO
Cc1ccc(/[NH+]=C2\CCCN2C)c(C#N)c1	ZINC000003151432	178360188	/nfs/dbraw/zinc/36/01/88/178360188.db2.gz	HCVNQAOFQYIYRF-FYWRMAATSA-N	1	1	213.284	2.622	50	30		BFEAMO
Cc1[nH+]cn(Cc2ccc(C#N)c(F)c2)c1C	ZINC000188122730	343891654	/nfs/dbraw/zinc/89/16/54/343891654.db2.gz	PGEZHANDFFPNJF-UHFFFAOYSA-N	1	1	229.258	2.559	50	30		BFEAMO
Cc1cccc(CC[N@@H+]2CCC[C@](C)(C#N)C2)n1	ZINC000592101841	347734079	/nfs/dbraw/zinc/73/40/79/347734079.db2.gz	UASVNSQRAIXBRL-OAHLLOKOSA-N	1	1	243.354	2.558	50	30		BFEAMO
Cc1cccc(CC[N@H+]2CCC[C@](C)(C#N)C2)n1	ZINC000592101841	347734082	/nfs/dbraw/zinc/73/40/82/347734082.db2.gz	UASVNSQRAIXBRL-OAHLLOKOSA-N	1	1	243.354	2.558	50	30		BFEAMO
CS[C@H]1CCC[C@H]1[N@@H+](C)CCCCC#N	ZINC000076147376	362981707	/nfs/dbraw/zinc/98/17/07/362981707.db2.gz	LWKZJABMWPGPEN-NEPJUHHUSA-N	1	1	226.389	2.896	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1	ZINC000000215937	188099405	/nfs/dbraw/zinc/09/94/05/188099405.db2.gz	QZVQBDLZDTVALB-UHFFFAOYSA-N	1	1	234.299	2.993	50	30		BFEAMO
N#CC1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000032013269	181032838	/nfs/dbraw/zinc/03/28/38/181032838.db2.gz	YLLDUFPFWOTVTL-UHFFFAOYSA-N	1	1	218.275	2.561	50	30		BFEAMO
C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(SC)c1	ZINC000252484262	363371596	/nfs/dbraw/zinc/37/15/96/363371596.db2.gz	FTEGYSVNDBSUKI-NSHDSACASA-N	1	1	249.379	2.871	50	30		BFEAMO
N#Cc1ccccc1C[NH+]1CC(c2ccncc2)C1	ZINC000072120884	181144955	/nfs/dbraw/zinc/14/49/55/181144955.db2.gz	HVDYVGQRVXTJFZ-UHFFFAOYSA-N	1	1	249.317	2.553	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1	ZINC000000215835	355892917	/nfs/dbraw/zinc/89/29/17/355892917.db2.gz	HHTJZVXIQANGJM-UHFFFAOYSA-N	1	1	234.299	2.993	50	30		BFEAMO
C=CCn1c2ccccc2n2cc(C)[nH+]c21	ZINC000000305769	355894837	/nfs/dbraw/zinc/89/48/37/355894837.db2.gz	DDSJTHCTSXKLQW-UHFFFAOYSA-N	1	1	211.268	2.783	50	30		BFEAMO
O/N=C1\CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000102071871	356702037	/nfs/dbraw/zinc/70/20/37/356702037.db2.gz	YGUBLIFXKQYDAG-PMLWWNAGSA-N	1	1	244.338	2.749	50	30		BFEAMO
C=CC[NH2+][C@@]1(c2cccs2)CCCCC1=O	ZINC000096027867	371379730	/nfs/dbraw/zinc/37/97/30/371379730.db2.gz	MKGQQPZQNLMNMD-ZDUSSCGKSA-N	1	1	235.352	2.862	50	30		BFEAMO
C#Cc1ccc(C[N@@H+](C)Cc2ccncc2)cc1	ZINC000225745031	384887996	/nfs/dbraw/zinc/88/79/96/384887996.db2.gz	FOSXKUSOEZLTLT-UHFFFAOYSA-N	1	1	236.318	2.695	50	30		BFEAMO
C[N@H+](Cc1ccco1)Cc1cccc(C#N)c1	ZINC000035122323	386412529	/nfs/dbraw/zinc/41/25/29/386412529.db2.gz	RPUAJCLIBQJILG-UHFFFAOYSA-N	1	1	226.279	2.783	50	30		BFEAMO
C[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1	ZINC000035122323	386412532	/nfs/dbraw/zinc/41/25/32/386412532.db2.gz	RPUAJCLIBQJILG-UHFFFAOYSA-N	1	1	226.279	2.783	50	30		BFEAMO
CC[N@@H+](CCCC#N)C[C@H](O)c1ccc(C)cc1	ZINC000076015787	387450402	/nfs/dbraw/zinc/45/04/02/387450402.db2.gz	UKUMRCOILPLEAK-HNNXBMFYSA-N	1	1	246.354	2.654	50	30		BFEAMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCO1	ZINC000042240480	388275058	/nfs/dbraw/zinc/27/50/58/388275058.db2.gz	QLCJMLLLTXBHEV-OAHLLOKOSA-N	1	1	244.338	2.559	50	30		BFEAMO
C#CC[N@H+](CCCCC#N)Cc1cccc(C)n1	ZINC000076144231	388380259	/nfs/dbraw/zinc/38/02/59/388380259.db2.gz	DFPZPSQAWWCREL-UHFFFAOYSA-N	1	1	241.338	2.519	50	30		BFEAMO
C[C@H](C1CC1)[N@H+](CCC#N)Cc1ccncc1	ZINC000095401532	388765920	/nfs/dbraw/zinc/76/59/20/388765920.db2.gz	RCJQWSGKAGXYFS-GFCCVEGCSA-N	1	1	229.327	2.596	50	30		BFEAMO
C[C@H](C1CC1)[N@@H+](CCC#N)Cc1ccncc1	ZINC000095401532	388765925	/nfs/dbraw/zinc/76/59/25/388765925.db2.gz	RCJQWSGKAGXYFS-GFCCVEGCSA-N	1	1	229.327	2.596	50	30		BFEAMO
Cc1[nH+]cn(Cc2cccc(C#N)c2F)c1C	ZINC000223540861	134340293	/nfs/dbraw/zinc/34/02/93/134340293.db2.gz	OMJKGKRPRVMGJQ-UHFFFAOYSA-N	1	1	229.258	2.559	50	30		BFEAMO
N#Cc1ccnc(C[N@@H+]2CCc3ccccc3C2)c1	ZINC000299797447	135207077	/nfs/dbraw/zinc/20/70/77/135207077.db2.gz	RKJVYJDDZOLCOT-UHFFFAOYSA-N	1	1	249.317	2.512	50	30		BFEAMO
N#Cc1ccnc(C[N@H+]2CCc3ccccc3C2)c1	ZINC000299797447	135207079	/nfs/dbraw/zinc/20/70/79/135207079.db2.gz	RKJVYJDDZOLCOT-UHFFFAOYSA-N	1	1	249.317	2.512	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1cccc(O)c1	ZINC000000279394	397930525	/nfs/dbraw/zinc/93/05/25/397930525.db2.gz	LODXMYKKEWMNND-UHFFFAOYSA-N	1	1	205.301	2.790	50	30		BFEAMO
CN(C)/C=[NH+]/c1ccc([N+](=O)[O-])c2ccccc12	ZINC000017002812	172352837	/nfs/dbraw/zinc/35/28/37/172352837.db2.gz	GYPMYHHWJKLXEC-NTEUORMPSA-N	1	1	243.266	2.969	50	30		BFEAMO
C[C@@H]1CC[N@@H+](CCC#N)[C@H]2CCCC[C@H]12	ZINC000042185683	176168016	/nfs/dbraw/zinc/16/80/16/176168016.db2.gz	YUBPZRYARLEOFT-UPJWGTAASA-N	1	1	206.333	2.801	50	30		BFEAMO
C[C@@H]1CC[N@@H+](CCC#N)[C@@H]2CCCC[C@H]12	ZINC000242305017	524503962	/nfs/dbraw/zinc/50/39/62/524503962.db2.gz	YUBPZRYARLEOFT-JHJVBQTASA-N	1	1	206.333	2.801	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](O)C2)CC1	ZINC000004988809	635176910	/nfs/dbraw/zinc/17/69/10/635176910.db2.gz	WDPXODBODZAIGF-CABCVRRESA-N	1	1	235.371	2.746	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@@H](O)C2)CC1	ZINC000023281831	645828157	/nfs/dbraw/zinc/82/81/57/645828157.db2.gz	WDPXODBODZAIGF-LSDHHAIUSA-N	1	1	235.371	2.746	50	30		BFEAMO
C=C[C@@H]1CC[N@H+](Cc2cc3c(cc2C)OCO3)C1	ZINC000820443845	968474199	/nfs/dbraw/zinc/47/41/99/968474199.db2.gz	UMHRBRJPOLXJHU-GFCCVEGCSA-N	1	1	245.322	2.732	50	30		BFEAMO
C[N@@H+](CCC#N)C12CC3CC(CC(C3)C1)C2	ZINC000003995685	342740154	/nfs/dbraw/zinc/74/01/54/342740154.db2.gz	YVBAYRNDCUDXEC-UHFFFAOYSA-N	1	1	218.344	2.801	50	30		BFEAMO
N#Cc1cccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1	ZINC000071749065	398318780	/nfs/dbraw/zinc/31/87/80/398318780.db2.gz	NAHGJQSAOCGHGI-IYBDPMFKSA-N	1	1	238.334	2.956	50	30		BFEAMO
Cc1cccc(C)c1C[NH2+][C@@H](C)CC#N	ZINC000166514051	344918000	/nfs/dbraw/zinc/91/80/00/344918000.db2.gz	NLSIVAHLBVPOSR-LBPRGKRZSA-N	1	1	202.301	2.695	50	30		BFEAMO
C[C@@H](C1CC1)[N@@H+](CCC#N)C[C@@H]1CCC=CO1	ZINC000225579905	345221855	/nfs/dbraw/zinc/22/18/55/345221855.db2.gz	OIOUTVUEKAZJHD-JSGCOSHPSA-N	1	1	234.343	2.693	50	30		BFEAMO
C=CCn1c2ccccc2n(CCCC)c1=[NH2+]	ZINC000020169367	187370924	/nfs/dbraw/zinc/37/09/24/187370924.db2.gz	XVRCJQYDAVNOKD-UHFFFAOYSA-N	1	1	229.327	2.908	50	30		BFEAMO
CS[C@H]1CCC[C@@H]1[N@@H+](C)CCCCC#N	ZINC000076147377	362981750	/nfs/dbraw/zinc/98/17/50/362981750.db2.gz	LWKZJABMWPGPEN-RYUDHWBXSA-N	1	1	226.389	2.896	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccc2c(c1)OCO2	ZINC000004670468	188211437	/nfs/dbraw/zinc/21/14/37/188211437.db2.gz	AFMFKRGKUADSQE-UHFFFAOYSA-N	1	1	233.311	2.813	50	30		BFEAMO
CCO[C@@H]1C[C@H]([N@H+](C)CCC#N)C12CCCC2	ZINC000096419751	385147610	/nfs/dbraw/zinc/14/76/10/385147610.db2.gz	ZBFVWFLWNHNFCC-QWHCGFSZSA-N	1	1	236.359	2.570	50	30		BFEAMO
CCO[C@@H]1C[C@H]([N@@H+](C)CCC#N)C12CCCC2	ZINC000096419751	385147617	/nfs/dbraw/zinc/14/76/17/385147617.db2.gz	ZBFVWFLWNHNFCC-QWHCGFSZSA-N	1	1	236.359	2.570	50	30		BFEAMO
C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H](SC)C1	ZINC000134550897	386424302	/nfs/dbraw/zinc/42/43/02/386424302.db2.gz	UYYJJBGJANYLBL-CHWSQXEVSA-N	1	1	243.416	2.531	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@@H]1Cc1ccccc1	ZINC000055472097	386533016	/nfs/dbraw/zinc/53/30/16/386533016.db2.gz	AJRLRYLKXVYRSY-CQSZACIVSA-N	1	1	214.312	2.607	50	30		BFEAMO
C=C(Br)C[N@H+]1CCC[C@@H](C)C1	ZINC000052440586	386922684	/nfs/dbraw/zinc/92/26/84/386922684.db2.gz	NAWZPXIHCWXUIL-MRVPVSSYSA-N	1	1	218.138	2.627	50	30		BFEAMO
C=C(Br)C[N@@H+]1CCC[C@@H](C)C1	ZINC000052440586	386922687	/nfs/dbraw/zinc/92/26/87/386922687.db2.gz	NAWZPXIHCWXUIL-MRVPVSSYSA-N	1	1	218.138	2.627	50	30		BFEAMO
CCC(O)(CC)C[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000095991047	388801514	/nfs/dbraw/zinc/80/15/14/388801514.db2.gz	SBRMWIYVHDWEOL-UHFFFAOYSA-N	1	1	246.354	2.541	50	30		BFEAMO
C=CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1	ZINC000130742815	166398030	/nfs/dbraw/zinc/39/80/30/166398030.db2.gz	JYYRWVVLZZWJPR-ZFWWWQNUSA-N	1	1	236.403	2.805	50	30		BFEAMO
CC[N@@H+](CCCC(=O)NC)Cc1cccs1	ZINC000328595826	520996922	/nfs/dbraw/zinc/99/69/22/520996922.db2.gz	FTPXRSNLNSGESV-UHFFFAOYSA-N	1	1	240.372	2.937	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@H](O)C2)CC1	ZINC000004988808	635177591	/nfs/dbraw/zinc/17/75/91/635177591.db2.gz	WDPXODBODZAIGF-GJZGRUSLSA-N	1	1	235.371	2.746	50	30		BFEAMO
C=CC[N@@H+](C)CCSc1cccc(O)c1	ZINC000585118947	972148632	/nfs/dbraw/zinc/14/86/32/972148632.db2.gz	JRADPPVAWGIEIX-UHFFFAOYSA-N	1	1	223.341	2.602	50	30		BFEAMO
C[C@@H]1C/C(=N/O)[C@@H](C)C[N@H+]1CCc1ccccc1	ZINC000004712814	343273575	/nfs/dbraw/zinc/27/35/75/343273575.db2.gz	RSOJDXFITJOAFZ-UBQVSUSGSA-N	1	1	246.354	2.790	50	30		BFEAMO
N#CCC[N@@H+](Cc1ccc(O)cc1)CC1CCC1	ZINC000195575837	347648650	/nfs/dbraw/zinc/64/86/50/347648650.db2.gz	CYHIKAQQYNRBJU-UHFFFAOYSA-N	1	1	244.338	2.908	50	30		BFEAMO
N#CCC[N@H+](Cc1ccc(O)cc1)CC1CCC1	ZINC000195575837	347648652	/nfs/dbraw/zinc/64/86/52/347648652.db2.gz	CYHIKAQQYNRBJU-UHFFFAOYSA-N	1	1	244.338	2.908	50	30		BFEAMO
C=C(Cl)C[NH2+]Cc1c[nH]nc1C(C)(C)C	ZINC000076017870	362952713	/nfs/dbraw/zinc/95/27/13/362952713.db2.gz	VIAYNNFRUZIIOI-UHFFFAOYSA-N	1	1	227.739	2.549	50	30		BFEAMO
N#CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000035174420	181036212	/nfs/dbraw/zinc/03/62/12/181036212.db2.gz	HWNDORSIEYMORI-STQMWFEESA-N	1	1	206.333	2.945	50	30		BFEAMO
N/[NH+]=C(\c1ccccc1)c1cc(Cl)ccc1N	ZINC000004679766	181185008	/nfs/dbraw/zinc/18/50/08/181185008.db2.gz	WPRRWTZCKYTGRJ-GHRIWEEISA-N	1	1	245.713	2.633	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1O	ZINC000023281996	356636053	/nfs/dbraw/zinc/63/60/53/356636053.db2.gz	FTPSLEUXXLBVLH-UHFFFAOYSA-N	1	1	235.327	2.799	50	30		BFEAMO
[NH2+]=C1NC(=Nc2cccc(F)c2)c2ccccc21	ZINC000005731780	181338263	/nfs/dbraw/zinc/33/82/63/181338263.db2.gz	HXFBEZDYFYNIDM-UHFFFAOYSA-N	1	1	239.253	2.623	50	30		BFEAMO
C=C(C)C[N@H+](C)[C@@H](C)c1cccc(O)c1	ZINC000071892973	384000258	/nfs/dbraw/zinc/00/02/58/384000258.db2.gz	FCJUYETWKCNUQV-NSHDSACASA-N	1	1	205.301	2.961	50	30		BFEAMO
C[C@@H](O)C[N@@H+](CCCCC#N)C1CCCCC1	ZINC000069918633	384831484	/nfs/dbraw/zinc/83/14/84/384831484.db2.gz	OAWSXLDWFDKCPS-CYBMUJFWSA-N	1	1	238.375	2.696	50	30		BFEAMO
CCO[C@H]1C[C@@H]([N@H+](C)CCC#N)C12CCCC2	ZINC000096419754	385147431	/nfs/dbraw/zinc/14/74/31/385147431.db2.gz	ZBFVWFLWNHNFCC-OLZOCXBDSA-N	1	1	236.359	2.570	50	30		BFEAMO
CCO[C@H]1C[C@@H]([N@@H+](C)CCC#N)C12CCCC2	ZINC000096419754	385147436	/nfs/dbraw/zinc/14/74/36/385147436.db2.gz	ZBFVWFLWNHNFCC-OLZOCXBDSA-N	1	1	236.359	2.570	50	30		BFEAMO
O/N=C1\CC[C@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000169311754	385412033	/nfs/dbraw/zinc/41/20/33/385412033.db2.gz	LTSLFNBPLYFMAG-NWKFZWBHSA-N	1	1	236.359	2.881	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@H]1CCc1ccccc1	ZINC000051422977	385746737	/nfs/dbraw/zinc/74/67/37/385746737.db2.gz	ZSBRWALASFPDHA-HNNXBMFYSA-N	1	1	228.339	2.997	50	30		BFEAMO
C=CC[NH+](CC=C)Cc1cccc(OC)c1OC	ZINC000020131159	166338112	/nfs/dbraw/zinc/33/81/12/166338112.db2.gz	YTQPXYQTMCFFQI-UHFFFAOYSA-N	1	1	247.338	2.878	50	30		BFEAMO
C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097113667	176026847	/nfs/dbraw/zinc/02/68/47/176026847.db2.gz	XXBQKONBQRXTNB-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097113667	176026849	/nfs/dbraw/zinc/02/68/49/176026849.db2.gz	XXBQKONBQRXTNB-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)o1	ZINC000097375298	176028646	/nfs/dbraw/zinc/02/86/46/176028646.db2.gz	SWNADYMZACLQJP-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)o1	ZINC000097375298	176028648	/nfs/dbraw/zinc/02/86/48/176028648.db2.gz	SWNADYMZACLQJP-NSHDSACASA-N	1	1	241.294	2.739	50	30		BFEAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C/C1=N\O	ZINC000009330860	177060947	/nfs/dbraw/zinc/06/09/47/177060947.db2.gz	VJXBICUWSHNVFV-HAPAKHMDSA-N	1	1	232.327	2.747	50	30		BFEAMO
CC(C)(C)/[NH+]=C/c1ccc([N+](=O)[O-])cc1	ZINC000000301282	342682856	/nfs/dbraw/zinc/68/28/56/342682856.db2.gz	BZCRPTQYJYKZDH-XYOKQWHBSA-N	1	1	206.245	2.812	50	30		BFEAMO
C[C@@H]1C[N@@H+](CCc2ccccc2)[C@H](C)C/C1=N/O	ZINC000004712812	343273289	/nfs/dbraw/zinc/27/32/89/343273289.db2.gz	RSOJDXFITJOAFZ-FJOSAAFMSA-N	1	1	246.354	2.790	50	30		BFEAMO
C=C(C)C[N@@H+](CC)C[C@H](O)c1ccccc1	ZINC000044866725	352467439	/nfs/dbraw/zinc/46/74/39/352467439.db2.gz	DJWCXNOSKAOFRV-AWEZNQCLSA-N	1	1	219.328	2.618	50	30		BFEAMO
N#CCC[N@@H+](CC1CC1)[C@H]1C=CCCC1	ZINC000078993134	188136988	/nfs/dbraw/zinc/13/69/88/188136988.db2.gz	YEDSSGUUMACNFF-ZDUSSCGKSA-N	1	1	204.317	2.721	50	30		BFEAMO
C=C(C)C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528154	188219027	/nfs/dbraw/zinc/21/90/27/188219027.db2.gz	WUDIUXHCFVYZPI-UHFFFAOYSA-N	1	1	200.285	2.566	50	30		BFEAMO
CC#CC[N@@H+](Cc1ccccc1OC)C1CC1	ZINC000095961289	188224222	/nfs/dbraw/zinc/22/42/22/188224222.db2.gz	HKUBNXUISXEFCW-UHFFFAOYSA-N	1	1	229.323	2.683	50	30		BFEAMO
CC#CC[N@H+](Cc1ccccc1OC)C1CC1	ZINC000095961289	188224223	/nfs/dbraw/zinc/22/42/23/188224223.db2.gz	HKUBNXUISXEFCW-UHFFFAOYSA-N	1	1	229.323	2.683	50	30		BFEAMO
[NH2+]=C(Nc1cccnc1)c1ccc(Cl)cc1	ZINC000006392273	181182564	/nfs/dbraw/zinc/18/25/64/181182564.db2.gz	DKTHSNCRHRGGRP-UHFFFAOYSA-N	1	1	231.686	2.772	50	30		BFEAMO
C=C(C)C[N@H+](CC)Cc1ccc(O)cc1	ZINC000000277713	355893287	/nfs/dbraw/zinc/89/32/87/355893287.db2.gz	HOIUKICGAIJKTQ-UHFFFAOYSA-N	1	1	205.301	2.790	50	30		BFEAMO
ON=C1CC[C@H]2C[N@H+](C3CCCCC3)C[C@H]2C1	ZINC000252619890	364155625	/nfs/dbraw/zinc/15/56/25/364155625.db2.gz	LTSLFNBPLYFMAG-NWDGAFQWSA-N	1	1	236.359	2.881	50	30		BFEAMO
C[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000032667605	384344313	/nfs/dbraw/zinc/34/43/13/384344313.db2.gz	IGCCDADCYZGHAI-UHFFFAOYSA-N	1	1	226.279	2.783	50	30		BFEAMO
C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000032667605	384344319	/nfs/dbraw/zinc/34/43/19/384344319.db2.gz	IGCCDADCYZGHAI-UHFFFAOYSA-N	1	1	226.279	2.783	50	30		BFEAMO
O/N=C1/CC[C@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1	ZINC000013154727	384348363	/nfs/dbraw/zinc/34/83/63/384348363.db2.gz	LTSLFNBPLYFMAG-DCMULQSBSA-N	1	1	236.359	2.881	50	30		BFEAMO
C[N@H+](Cc1cc(C#N)cs1)Cc1cccnc1	ZINC000097113586	384369717	/nfs/dbraw/zinc/36/97/17/384369717.db2.gz	VNAMWNSRXSUKQI-UHFFFAOYSA-N	1	1	243.335	2.647	50	30		BFEAMO
C[N@@H+](Cc1cc(C#N)cs1)Cc1cccnc1	ZINC000097113586	384369726	/nfs/dbraw/zinc/36/97/26/384369726.db2.gz	VNAMWNSRXSUKQI-UHFFFAOYSA-N	1	1	243.335	2.647	50	30		BFEAMO
N#CCC[N@@H+]1CCC[C@@H](COc2ccccc2)C1	ZINC000096411351	385117654	/nfs/dbraw/zinc/11/76/54/385117654.db2.gz	HTGFKJCYXGATLY-CQSZACIVSA-N	1	1	244.338	2.691	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@@H](COc2ccccc2)C1	ZINC000096411351	385117657	/nfs/dbraw/zinc/11/76/57/385117657.db2.gz	HTGFKJCYXGATLY-CQSZACIVSA-N	1	1	244.338	2.691	50	30		BFEAMO
C=CCC1([NH2+]Cc2ccco2)CCN(CC)CC1	ZINC000005091211	385285832	/nfs/dbraw/zinc/28/58/32/385285832.db2.gz	ZULZYLDSUVAWLR-UHFFFAOYSA-N	1	1	248.370	2.800	50	30		BFEAMO
C#CC[N@@H+]1CCC[C@@]2(CCO[C@](C)(CC)C2)C1	ZINC000058189447	388377739	/nfs/dbraw/zinc/37/77/39/388377739.db2.gz	YZKWUMWYGAQFHQ-CABCVRRESA-N	1	1	235.371	2.681	50	30	biogenic	BFEAMO
C#CC[N@@H+]1CCC[C@]2(CCO[C@@](C)(CC)C2)C1	ZINC000058189446	388377745	/nfs/dbraw/zinc/37/77/45/388377745.db2.gz	YZKWUMWYGAQFHQ-LSDHHAIUSA-N	1	1	235.371	2.681	50	30	biogenic	BFEAMO
C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000019486801	177101692	/nfs/dbraw/zinc/10/16/92/177101692.db2.gz	ADCDOTBFTGQZRP-LBPRGKRZSA-N	1	1	214.312	2.790	50	30		BFEAMO
C[C@@H]1C/C(=N\O)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000009330862	177266146	/nfs/dbraw/zinc/26/61/46/177266146.db2.gz	VJXBICUWSHNVFV-PPIUEQTRSA-N	1	1	232.327	2.747	50	30		BFEAMO
C=CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000328600533	518655778	/nfs/dbraw/zinc/65/57/78/518655778.db2.gz	YJSYEBGLPVAYIZ-VXGBXAGGSA-N	1	1	236.359	2.782	50	30		BFEAMO
C=C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000253418848	518663078	/nfs/dbraw/zinc/66/30/78/518663078.db2.gz	BBYZCFSLSJAGAR-AWEZNQCLSA-N	1	1	222.376	2.513	50	30		BFEAMO
C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccccc1	ZINC000044866729	352467173	/nfs/dbraw/zinc/46/71/73/352467173.db2.gz	DJWCXNOSKAOFRV-CQSZACIVSA-N	1	1	219.328	2.618	50	30		BFEAMO
C=C(Cl)CN1CC[N@H+](C)CC12CCCCC2	ZINC000098018754	538114881	/nfs/dbraw/zinc/11/48/81/538114881.db2.gz	GDYMIEHSUVGEKX-UHFFFAOYSA-N	1	1	242.794	2.689	50	30		BFEAMO
N#CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000039214361	181046151	/nfs/dbraw/zinc/04/61/51/181046151.db2.gz	QLRIWGFJEARQCE-CQSZACIVSA-N	1	1	214.312	2.812	50	30		BFEAMO
C=CCCN1[C@H](C)C[N@H+](CCC=C)C[C@@H]1C	ZINC000191145267	355328460	/nfs/dbraw/zinc/32/84/60/355328460.db2.gz	XFWWLZBXHOTEMK-OKILXGFUSA-N	1	1	222.376	2.533	50	30		BFEAMO
C=CCCN1C[C@@H](C)[N@H+](CCC=C)[C@@H](C)C1	ZINC000191145267	355328464	/nfs/dbraw/zinc/32/84/64/355328464.db2.gz	XFWWLZBXHOTEMK-OKILXGFUSA-N	1	1	222.376	2.533	50	30		BFEAMO
C=CCCN1C[C@@H](C)[N@@H+](CCC=C)[C@@H](C)C1	ZINC000191145267	355328465	/nfs/dbraw/zinc/32/84/65/355328465.db2.gz	XFWWLZBXHOTEMK-OKILXGFUSA-N	1	1	222.376	2.533	50	30		BFEAMO
C[N@H+](CCCC#N)Cc1ccccc1F	ZINC000042224080	374254806	/nfs/dbraw/zinc/25/48/06/374254806.db2.gz	SVPCVWKBOJKTMO-UHFFFAOYSA-N	1	1	206.264	2.561	50	30		BFEAMO
C[N@@H+](CCCC#N)Cc1ccccc1F	ZINC000042224080	374254817	/nfs/dbraw/zinc/25/48/17/374254817.db2.gz	SVPCVWKBOJKTMO-UHFFFAOYSA-N	1	1	206.264	2.561	50	30		BFEAMO
N#CCC[N@@H+]1CCC[C@H](COc2ccccc2)C1	ZINC000096411352	385120374	/nfs/dbraw/zinc/12/03/74/385120374.db2.gz	HTGFKJCYXGATLY-AWEZNQCLSA-N	1	1	244.338	2.691	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@H](COc2ccccc2)C1	ZINC000096411352	385120381	/nfs/dbraw/zinc/12/03/81/385120381.db2.gz	HTGFKJCYXGATLY-AWEZNQCLSA-N	1	1	244.338	2.691	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(CN2CC[NH+](C)CC2)CC1	ZINC000022586671	386903611	/nfs/dbraw/zinc/90/36/11/386903611.db2.gz	XSAHZPXCUZAEIA-OAHLLOKOSA-N	1	1	234.387	2.536	50	30		BFEAMO
C=C(Br)C[N@H+]1CCC[C@H](C)C1	ZINC000052440588	386923291	/nfs/dbraw/zinc/92/32/91/386923291.db2.gz	NAWZPXIHCWXUIL-QMMMGPOBSA-N	1	1	218.138	2.627	50	30		BFEAMO
C=C(Br)C[N@@H+]1CCC[C@H](C)C1	ZINC000052440588	386923297	/nfs/dbraw/zinc/92/32/97/386923297.db2.gz	NAWZPXIHCWXUIL-QMMMGPOBSA-N	1	1	218.138	2.627	50	30		BFEAMO
C#CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1	ZINC000097374436	166191387	/nfs/dbraw/zinc/19/13/87/166191387.db2.gz	KTLBOFZFAJQXPQ-VIFPVBQESA-N	1	1	222.357	2.724	50	30		BFEAMO
C=CC[N@@H+](CCOc1ccccc1)C1CC1	ZINC000095918101	166343946	/nfs/dbraw/zinc/34/39/46/166343946.db2.gz	BELVDFUMWPNCFP-UHFFFAOYSA-N	1	1	217.312	2.716	50	30		BFEAMO
C=CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1	ZINC000130742576	166397080	/nfs/dbraw/zinc/39/70/80/166397080.db2.gz	JYYRWVVLZZWJPR-HIFRSBDPSA-N	1	1	236.403	2.805	50	30		BFEAMO
C=C(Cl)CN1CCC(C[NH+](CC)CC)CC1	ZINC000047978079	411171386	/nfs/dbraw/zinc/17/13/86/411171386.db2.gz	QBZLAGMADDUXOI-UHFFFAOYSA-N	1	1	244.810	2.793	50	30		BFEAMO
CCc1[nH+]ccn1Cc1ccc(F)c(C#N)c1	ZINC000158636555	172027351	/nfs/dbraw/zinc/02/73/51/172027351.db2.gz	SDCJVKOMOPYDBI-UHFFFAOYSA-N	1	1	229.258	2.505	50	30		BFEAMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N	ZINC000000812170	176072982	/nfs/dbraw/zinc/07/29/82/176072982.db2.gz	LGJZQPRCELUOGP-GFCCVEGCSA-N	1	1	214.312	2.933	50	30		BFEAMO
CSC(=[NH2+])Nc1c(C)cccc1Cl	ZINC000019925027	525286042	/nfs/dbraw/zinc/28/60/42/525286042.db2.gz	OGSGSLMRWHRYND-UHFFFAOYSA-N	1	1	214.721	2.958	50	30		BFEAMO
CC[N@@H+]1C=CC=C/C1=C/C=C1C=CC(=O)C=C1	ZINC000334157229	583837288	/nfs/dbraw/zinc/83/72/88/583837288.db2.gz	XJEYJUGDHHMEKL-ZROIWOOFSA-N	1	1	225.291	2.897	50	30		BFEAMO
CC[N@H+]1C=CC=C/C1=C/C=C1C=CC(=O)C=C1	ZINC000334157229	583837291	/nfs/dbraw/zinc/83/72/91/583837291.db2.gz	XJEYJUGDHHMEKL-ZROIWOOFSA-N	1	1	225.291	2.897	50	30		BFEAMO
C=C(C)CN1[C@H](C)C[N@H+](CC(=C)C)C[C@@H]1C	ZINC000191139189	188222899	/nfs/dbraw/zinc/22/28/99/188222899.db2.gz	YYQARNHGAHEMRM-OKILXGFUSA-N	1	1	222.376	2.533	50	30		BFEAMO
C=C(C)CN1C[C@@H](C)[N@H+](CC(=C)C)[C@@H](C)C1	ZINC000191139189	188222900	/nfs/dbraw/zinc/22/29/00/188222900.db2.gz	YYQARNHGAHEMRM-OKILXGFUSA-N	1	1	222.376	2.533	50	30		BFEAMO
Nc1ccccc1C=[NH+]Nc1ccccc1	ZINC000017316786	181751870	/nfs/dbraw/zinc/75/18/70/181751870.db2.gz	LCPNCBSCOIMOBC-XNTDXEJSSA-N	1	1	211.268	2.715	50	30		BFEAMO
O/N=C1\CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000095809626	384398212	/nfs/dbraw/zinc/39/82/12/384398212.db2.gz	YGUBLIFXKQYDAG-CZYXKEEPSA-N	1	1	244.338	2.749	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@@H]1CCc1ccccc1	ZINC000051422978	385746278	/nfs/dbraw/zinc/74/62/78/385746278.db2.gz	ZSBRWALASFPDHA-OAHLLOKOSA-N	1	1	228.339	2.997	50	30		BFEAMO
Cc1[nH+]cn(Cc2cccc(F)c2C#N)c1C	ZINC000335744386	386578253	/nfs/dbraw/zinc/57/82/53/386578253.db2.gz	UOIOVQUJMFTSRS-UHFFFAOYSA-N	1	1	229.258	2.559	50	30		BFEAMO
N#CCC[N@H+]1CCC[C@H]1Cc1ccccc1	ZINC000055472096	386532954	/nfs/dbraw/zinc/53/29/54/386532954.db2.gz	AJRLRYLKXVYRSY-AWEZNQCLSA-N	1	1	214.312	2.607	50	30		BFEAMO
C=CCC[NH+]1CCN(CCC(C)(C)C)CC1	ZINC000337194270	135003751	/nfs/dbraw/zinc/00/37/51/135003751.db2.gz	AFHDBWSNFWTGOT-UHFFFAOYSA-N	1	1	224.392	2.616	50	30		BFEAMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000019486799	176102446	/nfs/dbraw/zinc/10/24/46/176102446.db2.gz	ADCDOTBFTGQZRP-GFCCVEGCSA-N	1	1	214.312	2.790	50	30		BFEAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C/C1=N/O	ZINC000012416440	176306387	/nfs/dbraw/zinc/30/63/87/176306387.db2.gz	VJXBICUWSHNVFV-LFPJIICWSA-N	1	1	232.327	2.747	50	30		BFEAMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1C#N	ZINC000000812169	177076928	/nfs/dbraw/zinc/07/69/28/177076928.db2.gz	LGJZQPRCELUOGP-LBPRGKRZSA-N	1	1	214.312	2.933	50	30		BFEAMO
C=C(C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-]	ZINC000241965513	518589694	/nfs/dbraw/zinc/58/96/94/518589694.db2.gz	UTKLYRNHBLIXMF-UHFFFAOYSA-N	1	1	234.299	2.645	50	30		BFEAMO
C=CCCCCC[N@@H+]1CC[S@@](=O)CC[C@H]1C	ZINC000328587678	518700635	/nfs/dbraw/zinc/70/06/35/518700635.db2.gz	FBSSBVXFSQVUCN-CJNGLKHVSA-N	1	1	243.416	2.576	50	30		BFEAMO
N#CCC[N@@H+](Cc1ccc(C#N)cc1)CC1CC1	ZINC000078969441	526456195	/nfs/dbraw/zinc/45/61/95/526456195.db2.gz	BYSJPMBXANWBCJ-UHFFFAOYSA-N	1	1	239.322	2.684	50	30		BFEAMO
N#CCC[N@H+](Cc1ccc(C#N)cc1)CC1CC1	ZINC000078969441	526456197	/nfs/dbraw/zinc/45/61/97/526456197.db2.gz	BYSJPMBXANWBCJ-UHFFFAOYSA-N	1	1	239.322	2.684	50	30		BFEAMO
C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]2CO)CC1	ZINC000004021093	633930140	/nfs/dbraw/zinc/93/01/40/633930140.db2.gz	FGWKUVQCXOEULL-HUUCEWRRSA-N	1	1	235.371	2.746	50	30		BFEAMO
C=C(C)[C@H]1CC=C(C[N@H+]2CCC[C@@H]2CO)CC1	ZINC000004985595	711738428	/nfs/dbraw/zinc/73/84/28/711738428.db2.gz	FGWKUVQCXOEULL-LSDHHAIUSA-N	1	1	235.371	2.746	50	30		BFEAMO