smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1	ZINC000013993386	518333644	/nfs/dbraw/zinc/33/36/44/518333644.db2.gz	IJKBPDFEVZNOCC-OAQYLSRUSA-N	1	0	335.447	3.880	40	30		EHEBRO
C=CCOc1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1	ZINC000225437433	563995877	/nfs/dbraw/zinc/99/58/77/563995877.db2.gz	DFYVKGDJELGSEJ-UHFFFAOYSA-N	1	0	347.528	3.660	40	30		EHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C)s1)[C@H]2CC	ZINC000096052456	564066517	/nfs/dbraw/zinc/06/65/17/564066517.db2.gz	LAIUDFAAZXPSQY-HKUYNNGSSA-N	1	0	332.513	3.978	40	30		EHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(CCC)cc1)C2	ZINC000096214768	564066552	/nfs/dbraw/zinc/06/65/52/564066552.db2.gz	JJCQYMQOQGMTFA-OAQYLSRUSA-N	1	0	326.484	3.896	40	30		EHEBRO
Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1	ZINC000008623905	564166150	/nfs/dbraw/zinc/16/61/50/564166150.db2.gz	APPVWRMZMDJVIW-IEBWSBKVSA-N	1	0	338.430	3.755	40	30	biogenic,in-vitro	EHEBRO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1	ZINC000249415361	1039738691	/nfs/dbraw/zinc/73/86/91/1039738691.db2.gz	ZBIZIBPOPHXGDI-FRQCXROJSA-N	1	0	327.472	3.636	40	30		EHEBRO
CC[NH+](CC)[C@H]1C2=C(CCCC2)OS(=O)(=O)[C@@H]1c1ccccc1	ZINC000031772330	202209990	/nfs/dbraw/zinc/20/99/90/202209990.db2.gz	AKUNJHULMSKPJC-ZWKOTPCHSA-N	1	0	335.469	3.626	40	30		EHEBRO
N#Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1	ZINC000049170524	204369884	/nfs/dbraw/zinc/36/98/84/204369884.db2.gz	XSIOFMPRFQZDTQ-INIZCTEOSA-N	1	0	348.381	3.737	40	30	biogenic,in-vitro	EHEBRO
CCCCC[C@H](C[N+]1(C)CCOCC1)C(=O)/C=C/c1ccccc1	ZINC000005663016	563544098	/nfs/dbraw/zinc/54/40/98/563544098.db2.gz	UPQLWYTYGLDMGF-DRUFCSCSSA-N	1	0	330.492	3.942	40	30		EHEBRO
CC[NH+](CC)CC1=C/C(=N\c2cc(OC)cc3cccnc32)C=CC1=O	ZINC000016931832	563826078	/nfs/dbraw/zinc/82/60/78/563826078.db2.gz	DTVXZYWENGTIRL-QJOMJCCJSA-N	1	0	349.434	3.723	40	30		EHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)Nc1cccc(CC)c1)C2	ZINC000096214786	564066569	/nfs/dbraw/zinc/06/65/69/564066569.db2.gz	IGSMCENGVAEUHZ-FQEVSTJZSA-N	1	0	327.472	3.897	40	30		EHEBRO
C=CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038832441	213227185	/nfs/dbraw/zinc/22/71/85/213227185.db2.gz	FEPHMVGCUWEVPQ-CYBMUJFWSA-N	1	0	327.255	3.508	40	30		EHEBRO
N#Cc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1	ZINC000049169296	204369998	/nfs/dbraw/zinc/36/99/98/204369998.db2.gz	MTRSPGTZHYDCLN-SFHVURJKSA-N	1	0	330.391	3.598	40	30	biogenic,in-vitro	EHEBRO
Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)c1	ZINC000009063019	564127627	/nfs/dbraw/zinc/12/76/27/564127627.db2.gz	WUSHZABOIBFZPD-UHFFFAOYSA-N	1	0	347.462	3.912	40	30		EHEBRO
CN(C)CC(C)(C[NH+](C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1	ZINC000031792889	202209363	/nfs/dbraw/zinc/20/93/63/202209363.db2.gz	KIQHUYUVSMWAFE-CLFYSBASSA-N	1	0	343.298	3.705	40	30		EHEBRO
COc1ccc2c(NN=Cc3ccc4c(c3)OCO4)cc(C)[nH+]c2c1	ZINC000031769296	202209670	/nfs/dbraw/zinc/20/96/70/202209670.db2.gz	DBTVOSZQLJCLOE-JMIUGGIZSA-N	1	0	335.363	3.727	40	30		EHEBRO
CC[NH+](CC)CC1=C/C(=N/c2cc(OC)cc3cccnc32)C=CC1=O	ZINC000005119396	563521313	/nfs/dbraw/zinc/52/13/13/563521313.db2.gz	DTVXZYWENGTIRL-HAVVHWLPSA-N	1	0	349.434	3.723	40	30		EHEBRO
CCCCC[C@@H](C[N+]1(C)CCOCC1)C(=O)/C=C/c1ccccc1	ZINC000005663013	563544052	/nfs/dbraw/zinc/54/40/52/563544052.db2.gz	UPQLWYTYGLDMGF-SJFMBGHLSA-N	1	0	330.492	3.942	40	30		EHEBRO
Cc1cc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000004967394	564005701	/nfs/dbraw/zinc/00/57/01/564005701.db2.gz	YLOBOWHBWSIMHQ-UHFFFAOYSA-O	1	0	329.729	3.593	40	30		EHEBRO
CCCCCCCCCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O	ZINC000102241493	204034434	/nfs/dbraw/zinc/03/44/34/204034434.db2.gz	RTFVPOQZLARTOP-UHFFFAOYSA-N	1	0	348.535	3.513	40	30		EHEBRO
C#CCOc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1	ZINC000013993383	518333532	/nfs/dbraw/zinc/33/35/32/518333532.db2.gz	IJKBPDFEVZNOCC-NRFANRHFSA-N	1	0	335.447	3.880	40	30		EHEBRO
CC[NH+](CC)CCOC(=O)C(S)(c1ccccc1)c1ccccc1	ZINC000031946819	563913242	/nfs/dbraw/zinc/91/32/42/563913242.db2.gz	BRHQQFRINPNBPY-UHFFFAOYSA-N	1	0	343.492	3.745	40	30		EHEBRO
C=CCSc1nc2c(c(-c3cccs3)c1C#N)C[N@H+](C)CC2	ZINC000019597280	212050020	/nfs/dbraw/zinc/05/00/20/212050020.db2.gz	HEEPSXCPBMSQPT-UHFFFAOYSA-N	1	0	327.478	3.948	40	30		EHEBRO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1	ZINC000008300011	564164103	/nfs/dbraw/zinc/16/41/03/564164103.db2.gz	PACROSSDXDNKMP-BULFRSBZSA-N	1	0	346.474	3.980	40	30	biogenic,in-vitro	EHEBRO
CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO	ZINC000077312319	203380037	/nfs/dbraw/zinc/38/00/37/203380037.db2.gz	UQAUXYMLKGFKBX-ZCNNSNEGSA-N	1	0	345.568	3.899	40	30	in-vitro,metabolite	EHEBRO
O=C(C[n+]1cccc(Br)c1)c1ccc(F)c2ccccc12	ZINC000001666171	563400684	/nfs/dbraw/zinc/40/06/84/563400684.db2.gz	LBFWZFPAYWFDBI-UHFFFAOYSA-N	1	0	345.191	3.912	40	30		EHEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(OC)c1)C2	ZINC000004857184	564005396	/nfs/dbraw/zinc/00/53/96/564005396.db2.gz	KQTNGTIRGOCNJT-ALOPSCKCSA-N	1	0	345.512	3.553	40	30		EHEBRO
N#Cc1c(N)n(-c2cc[nH+]cc2)nc1-c1ccc(Cl)cc1Cl	ZINC000039955340	213245785	/nfs/dbraw/zinc/24/57/85/213245785.db2.gz	FGALCIAUJNUBLS-UHFFFAOYSA-N	1	0	330.178	3.695	40	30		EHEBRO
CC[NH+](CC)[C@@H]1C2=C(CCCC2)OS(=O)(=O)[C@H]1c1ccccc1	ZINC000031772336	202209804	/nfs/dbraw/zinc/20/98/04/202209804.db2.gz	AKUNJHULMSKPJC-MSOLQXFVSA-N	1	0	335.469	3.626	40	30		EHEBRO
C=CCn1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)c(C)n1	ZINC000019552347	212041143	/nfs/dbraw/zinc/04/11/43/212041143.db2.gz	DKQPKCWJLRWQQB-UHFFFAOYSA-N	1	0	325.456	3.945	40	30		EHEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1C)C2	ZINC000004857190	564005408	/nfs/dbraw/zinc/00/54/08/564005408.db2.gz	ZRLCIADDEYREGY-ALOPSCKCSA-N	1	0	329.513	3.853	40	30		EHEBRO
CC[N+]1(CC)CC(=O)O[C@@H](Cn2c3ccccc3c3ccccc32)C1	ZINC000095116858	717138789	/nfs/dbraw/zinc/13/87/89/717138789.db2.gz	LGIATTDGGIWWDY-INIZCTEOSA-N	1	0	337.443	3.577	40	30		EHEBRO
COc1cccc(C=NNc2cc(C)[nH+]c3cc4c(cc23)OCO4)c1	ZINC000031769262	202209419	/nfs/dbraw/zinc/20/94/19/202209419.db2.gz	MSEAFZSETBWEAL-JMIUGGIZSA-N	1	0	335.363	3.727	40	30		EHEBRO
C#CCOc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cc1	ZINC000013994772	518323678	/nfs/dbraw/zinc/32/36/78/518323678.db2.gz	DYJKOPVSFGYSEB-HXUWFJFHSA-N	1	0	339.435	3.781	40	30		EHEBRO
C#CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1	ZINC000013993377	518331857	/nfs/dbraw/zinc/33/18/57/518331857.db2.gz	VTXUURKDILXQTC-QFIPXVFZSA-N	1	0	335.447	3.880	40	30		EHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1	ZINC000008493605	206530312	/nfs/dbraw/zinc/53/03/12/206530312.db2.gz	VSFWFNQEMICZDI-UHFFFAOYSA-N	1	0	327.424	3.601	40	30		EHEBRO
C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1	ZINC000013993362	518323753	/nfs/dbraw/zinc/32/37/53/518323753.db2.gz	OVLOKUNXRSZYRZ-JOCHJYFZSA-N	1	0	335.447	3.880	40	30		EHEBRO
CC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000001584688	563394254	/nfs/dbraw/zinc/39/42/54/563394254.db2.gz	HSWVSWCXWXQKNO-JLATVTFTSA-N	1	0	328.239	3.733	40	30		EHEBRO
C=C1C[C@@H](C)O[C@@H](c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)C1	ZINC000004024180	564004684	/nfs/dbraw/zinc/00/46/84/564004684.db2.gz	NHCUSKSOSKGMKT-YFVAEKQCSA-N	1	0	345.483	3.708	40	30		EHEBRO
C=CCn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C)n1	ZINC000057810991	564065167	/nfs/dbraw/zinc/06/51/67/564065167.db2.gz	LUPAMDHDVHUWDP-HXUWFJFHSA-N	1	0	325.456	3.559	40	30		EHEBRO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1	ZINC000187666647	1140266620	/nfs/dbraw/zinc/26/66/20/1140266620.db2.gz	ZBIZIBPOPHXGDI-TXPKVOOTSA-N	1	0	327.472	3.636	40	30		EHEBRO
N#Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1	ZINC000049169299	204369774	/nfs/dbraw/zinc/36/97/74/204369774.db2.gz	FXSDQZJLBMVCRH-SFHVURJKSA-N	1	0	330.391	3.598	40	30	biogenic,in-vitro	EHEBRO
CCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000002291260	258049479	/nfs/dbraw/zinc/04/94/79/258049479.db2.gz	UGPBZXADQRDUJR-HLIPFELVSA-N	1	0	340.528	3.638	40	30		EHEBRO
C=CC[NH2+]Cc1cc(Br)cc(Br)c1OCC	ZINC000008253306	210919910	/nfs/dbraw/zinc/91/99/10/210919910.db2.gz	WODTUTFABOAQJL-UHFFFAOYSA-N	1	0	349.066	3.886	40	30		EHEBRO
CC[C@H](C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000013388980	564019773	/nfs/dbraw/zinc/01/97/73/564019773.db2.gz	YKLVQZAEBWEEIN-OGNFBWPZSA-N	1	0	340.528	3.636	40	30		EHEBRO
CC1=CC(=C2C(=O)c3ccccc3C2=O)N(CC[NH+]2CCCCC2)C=C1	ZINC000001582996	201513115	/nfs/dbraw/zinc/51/31/15/201513115.db2.gz	KCQWCTYFCUPJCK-UHFFFAOYSA-N	1	0	348.446	3.581	40	30		EHEBRO
CC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000005519526	201653357	/nfs/dbraw/zinc/65/33/57/201653357.db2.gz	HSWVSWCXWXQKNO-BNDQCTAISA-N	1	0	328.239	3.733	40	30		EHEBRO
C=CCOc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000225737592	205096185	/nfs/dbraw/zinc/09/61/85/205096185.db2.gz	GJCTUCAUJNJHKG-MRXNPFEDSA-N	1	0	347.528	3.660	40	30		EHEBRO
Cc1ccc[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1	ZINC000004902504	564005549	/nfs/dbraw/zinc/00/55/49/564005549.db2.gz	XYXKNVAAMIKJJY-UHFFFAOYSA-O	1	0	330.622	3.881	40	30		EHEBRO
C=CCOc1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000260742754	564052471	/nfs/dbraw/zinc/05/24/71/564052471.db2.gz	YWKMFHNDCXRXNY-INIZCTEOSA-N	1	0	347.528	3.660	40	30		EHEBRO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1	ZINC000187666679	1140266879	/nfs/dbraw/zinc/26/68/79/1140266879.db2.gz	ZBIZIBPOPHXGDI-BXWFABGCSA-N	1	0	327.472	3.636	40	30		EHEBRO
N#CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038849836	213228404	/nfs/dbraw/zinc/22/84/04/213228404.db2.gz	PGDXGCXUHHNEJI-IBGZPJMESA-N	1	0	333.435	3.603	40	30		EHEBRO
CCC(C)N=Nc1nc2ccc(N3CC[NH+](CC)CC3)cc2s1	ZINC000057332253	564091517	/nfs/dbraw/zinc/09/15/17/564091517.db2.gz	QLAJXVRIERXFFK-UYRXBGFRSA-N	1	0	331.489	3.636	40	30		EHEBRO
C[NH+](C)[C@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1	ZINC000019364486	212020687	/nfs/dbraw/zinc/02/06/87/212020687.db2.gz	FXIPXWLVYIHFEP-NRFANRHFSA-N	1	0	349.478	3.630	40	30		EHEBRO
CC(C)N(/[NH+]=C/c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408895800	257886609	/nfs/dbraw/zinc/88/66/09/257886609.db2.gz	VUACASCMDAOYCS-CPNJWEJPSA-N	1	0	326.400	3.910	40	30		EHEBRO
O=C1c2ccccc2C(=O)C1=C1C=CN(CCC[NH+]2CCCCC2)C=C1	ZINC000002024820	563418323	/nfs/dbraw/zinc/41/83/23/563418323.db2.gz	QPDOHZVDJPVKAC-UHFFFAOYSA-N	1	0	348.446	3.581	40	30		EHEBRO
COc1ccc2c(NN=Cc3ccc4c(c3)OCO4)cc(C)[nH+]c2c1	ZINC000005552566	563539217	/nfs/dbraw/zinc/53/92/17/563539217.db2.gz	DBTVOSZQLJCLOE-KEBDBYFISA-N	1	0	335.363	3.727	40	30		EHEBRO
OC(C=C[NH2+]Nc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000006575349	563573181	/nfs/dbraw/zinc/57/31/81/563573181.db2.gz	INSNAKPJFGVZNH-CNHKJKLMSA-N	1	0	333.112	3.869	40	30		EHEBRO
CC(C)(C)N=C(CC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000017123115	563837725	/nfs/dbraw/zinc/83/77/25/563837725.db2.gz	SIKWSKGHHXKEGK-UHFFFAOYSA-N	1	0	332.448	3.889	40	30		EHEBRO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)C1	ZINC000332745347	1036046474	/nfs/dbraw/zinc/04/64/74/1036046474.db2.gz	GSMAVTOSAOKHCR-TYCQWZJGSA-N	1	0	347.462	3.726	40	30		EHEBRO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1	ZINC000249415357	1039738777	/nfs/dbraw/zinc/73/87/77/1039738777.db2.gz	ZBIZIBPOPHXGDI-FCEWJHQRSA-N	1	0	327.472	3.636	40	30		EHEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(Cl)cc1	ZINC000008300525	1029554918	/nfs/dbraw/zinc/55/49/18/1029554918.db2.gz	PJUNTFMYPFQAHZ-HEHGZKQESA-N	1	0	335.904	3.523	40	30	biogenic,in-vitro	EHEBRO
C[NH2+]CCC[C@]1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21	ZINC000022055587	212274509	/nfs/dbraw/zinc/27/45/09/212274509.db2.gz	GPKQVLTWAMPYDA-LJQANCHMSA-N	1	0	326.827	3.985	40	30	in-vitro	EHEBRO
CC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)C[NH+](C)C	ZINC000005519529	563536558	/nfs/dbraw/zinc/53/65/58/563536558.db2.gz	HSWVSWCXWXQKNO-QVASGMJFSA-N	1	0	328.239	3.733	40	30		EHEBRO
Cc1cc(O)c(/C=N/c2ccc(N3CC[NH2+]CC3)cc2)c(C)c1Cl	ZINC000006545685	563571693	/nfs/dbraw/zinc/57/16/93/563571693.db2.gz	YMXQHYOKJYBIFN-WSDLNYQXSA-N	1	0	343.858	3.823	40	30		EHEBRO
C#C[C@](C)(OC[C@@H](COCC(C)C)[NH+]1CCCC1)c1ccccc1	ZINC000003598307	518357289	/nfs/dbraw/zinc/35/72/89/518357289.db2.gz	BFXRCMJRKTUNIQ-RTWAWAEBSA-N	1	0	329.484	3.689	40	30	in-man	EHEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccc(OC)c3O)c2c1	ZINC000005007009	210358451	/nfs/dbraw/zinc/35/84/51/210358451.db2.gz	AULQYWKIJVZYFH-RGVLZGJSSA-N	1	0	337.379	3.712	40	30		EHEBRO
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O	ZINC000409097661	564009888	/nfs/dbraw/zinc/00/98/88/564009888.db2.gz	JAFQKMALALFLLV-LFIBNONCSA-N	1	0	339.420	3.711	40	30		EHEBRO
C=CC[NH+]1CCC2(CC1)C[C@@H](NCc1ccoc1)c1ccccc1O2	ZINC000096079799	564066486	/nfs/dbraw/zinc/06/64/86/564066486.db2.gz	HYSSDXLIQWFPBQ-LJQANCHMSA-N	1	0	338.451	3.914	40	30		EHEBRO
[NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)C1CCCCC1	ZINC000004905756	526815102	/nfs/dbraw/zinc/81/51/02/526815102.db2.gz	FVCFDERJKJAGRH-UHFFFAOYSA-N	1	0	329.227	3.932	40	30		EHEBRO
CN(C)CC[N+](=O)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2	ZINC000008656044	563634657	/nfs/dbraw/zinc/63/46/57/563634657.db2.gz	QRGIEPPIPNRNHB-ATJXCDBQSA-N	1	0	326.484	3.764	40	30		EHEBRO
CC[C@@H](C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000013388978	564019764	/nfs/dbraw/zinc/01/97/64/564019764.db2.gz	YKLVQZAEBWEEIN-NHAYFPRASA-N	1	0	340.528	3.636	40	30		EHEBRO
COC(=O)c1ccc(C=NNc2cc(C)[nH+]c3ccc(OC)cc23)cc1	ZINC000005007007	210358800	/nfs/dbraw/zinc/35/88/00/210358800.db2.gz	FUPFVNYCHGJMOV-CIAFOILYSA-N	1	0	349.390	3.784	40	30		EHEBRO
CN(C)CC[N+](=O)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2	ZINC000005884685	563553277	/nfs/dbraw/zinc/55/32/77/563553277.db2.gz	QRGIEPPIPNRNHB-BSYVCWPDSA-N	1	0	326.484	3.764	40	30		EHEBRO
Brc1cc(/C=[NH+]\C2CCCCC2)oc1N1CCOCC1	ZINC000408851203	257887480	/nfs/dbraw/zinc/88/74/80/257887480.db2.gz	WISQHAWQLRSDRI-BOPFTXTBSA-N	1	0	341.249	3.630	40	30		EHEBRO
C#CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1	ZINC000013993380	518331689	/nfs/dbraw/zinc/33/16/89/518331689.db2.gz	VTXUURKDILXQTC-JOCHJYFZSA-N	1	0	335.447	3.880	40	30		EHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)[C@H]2CC	ZINC000096052457	564066510	/nfs/dbraw/zinc/06/65/10/564066510.db2.gz	RYSDLAHGDCSMRZ-ICSRJNTNSA-N	1	0	330.447	3.747	40	30		EHEBRO
CN(C)CC(C)(C[NH+](C)C)C(=O)/C=C/c1c(Cl)cccc1Cl	ZINC000001607766	563396125	/nfs/dbraw/zinc/39/61/25/563396125.db2.gz	IOVMXIVZGRNYPZ-MDZDMXLPSA-N	1	0	343.298	3.705	40	30		EHEBRO
CN(C)c1cc[n+](CC(=O)N(C2CCCCC2)C2CCCCC2)cc1	ZINC000006668103	564006634	/nfs/dbraw/zinc/00/66/34/564006634.db2.gz	ASIHNAONBJYWRL-UHFFFAOYSA-N	1	0	344.523	3.534	40	30		EHEBRO
C=CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038832442	213226795	/nfs/dbraw/zinc/22/67/95/213226795.db2.gz	FEPHMVGCUWEVPQ-ZDUSSCGKSA-N	1	0	327.255	3.508	40	30		EHEBRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1OC	ZINC000022076194	212277018	/nfs/dbraw/zinc/27/70/18/212277018.db2.gz	HLTVYUIKNCREHJ-KRWDZBQOSA-N	1	0	347.842	3.737	40	30		EHEBRO
CCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000002291259	258049687	/nfs/dbraw/zinc/04/96/87/258049687.db2.gz	UGPBZXADQRDUJR-UWVAXJGDSA-N	1	0	340.528	3.638	40	30		EHEBRO
C#CCOc1cccc(C[N@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)c1	ZINC000013994804	518331006	/nfs/dbraw/zinc/33/10/06/518331006.db2.gz	QCJQCBABTDVNMR-FQEVSTJZSA-N	1	0	339.435	3.781	40	30		EHEBRO
C=CCOc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1	ZINC000225401137	563995876	/nfs/dbraw/zinc/99/58/76/563995876.db2.gz	JHUMSKAIRBIJJO-UHFFFAOYSA-N	1	0	347.528	3.804	40	30		EHEBRO
N#CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038849837	213228987	/nfs/dbraw/zinc/22/89/87/213228987.db2.gz	PGDXGCXUHHNEJI-LJQANCHMSA-N	1	0	333.435	3.603	40	30		EHEBRO
OC(C=C[NH2+]Nc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000005854338	563552558	/nfs/dbraw/zinc/55/25/58/563552558.db2.gz	INSNAKPJFGVZNH-WSVATBPTSA-N	1	0	333.112	3.869	40	30		EHEBRO
C=CCn1ncc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C	ZINC000057811003	564065162	/nfs/dbraw/zinc/06/51/62/564065162.db2.gz	WSYDKXZQGITWKR-FQEVSTJZSA-N	1	0	325.456	3.559	40	30		EHEBRO
CCCCC[C@H](C[N+]1(C)CCOCC1)C(=O)/C=C\c1ccccc1	ZINC000104211654	219360402	/nfs/dbraw/zinc/36/04/02/219360402.db2.gz	UPQLWYTYGLDMGF-GHYICZDASA-N	1	0	330.492	3.942	40	30		EHEBRO
CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[N+](C)(C)Cc1ccccc1	ZINC000004350151	210177851	/nfs/dbraw/zinc/17/78/51/210177851.db2.gz	ROMHPUVAZGVPHJ-LVCYWYKZSA-O	1	0	329.508	3.594	40	30		EHEBRO
CCCCCCCCOS(=O)(=O)c1ccc([N+](C)(C)C)cc1	ZINC000001565530	520041757	/nfs/dbraw/zinc/04/17/57/520041757.db2.gz	JKCLCRZDGNYTFZ-UHFFFAOYSA-N	1	0	328.498	3.949	40	30		EHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)Nc1cccc(CC)c1)C2	ZINC000096214787	564066541	/nfs/dbraw/zinc/06/65/41/564066541.db2.gz	IGSMCENGVAEUHZ-HXUWFJFHSA-N	1	0	327.472	3.897	40	30		EHEBRO
O=C(C[n+]1ccccc1Br)c1ccc2ccccc2c1	ZINC000001870643	209801783	/nfs/dbraw/zinc/80/17/83/209801783.db2.gz	NXDRZCUFADAUQU-UHFFFAOYSA-N	1	0	327.201	3.773	40	30		EHEBRO
C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1	ZINC000013993359	518323914	/nfs/dbraw/zinc/32/39/14/518323914.db2.gz	OVLOKUNXRSZYRZ-QFIPXVFZSA-N	1	0	335.447	3.880	40	30		EHEBRO
C#C[C@](C)(OC[C@H](COCC(C)C)[NH+]1CCCC1)c1ccccc1	ZINC000001537047	518356919	/nfs/dbraw/zinc/35/69/19/518356919.db2.gz	BFXRCMJRKTUNIQ-SFTDATJTSA-N	1	0	329.484	3.689	40	30	in-man	EHEBRO
CCN(CC)c1ccc(/C=[NH+]/CCNC(=O)c2ccc(C)cc2)cc1	ZINC000003073095	520881672	/nfs/dbraw/zinc/88/16/72/520881672.db2.gz	SJTOBJJPHVFHNG-CJLVFECKSA-N	1	0	337.467	3.690	40	30		EHEBRO
CN(C)CC(C)(C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001607770	563396065	/nfs/dbraw/zinc/39/60/65/563396065.db2.gz	KIQHUYUVSMWAFE-VQHVLOKHSA-N	1	0	343.298	3.705	40	30		EHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)cc1)[C@H]2CC	ZINC000096052458	564066528	/nfs/dbraw/zinc/06/65/28/564066528.db2.gz	FVJYDIBEXATOHE-FPOVZHCZSA-N	1	0	342.483	3.617	40	30		EHEBRO
CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO	ZINC000104347244	219377082	/nfs/dbraw/zinc/37/70/82/219377082.db2.gz	HZDHAXFEUKKOSB-UHFFFAOYSA-N	1	0	341.560	3.901	40	30		EHEBRO
CCN(/[NH+]=C/c1c(C)c(=O)n(-c2ccccc2)n1C)c1ccc(C)cc1	ZINC000007014784	519897033	/nfs/dbraw/zinc/89/70/33/519897033.db2.gz	BAJJUVZJCGLRNK-PXLXIMEGSA-N	1	0	348.450	3.653	40	30		EHEBRO
CC[NH+]1CCN(c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1	ZINC000000353128	563996901	/nfs/dbraw/zinc/99/69/01/563996901.db2.gz	WGHPIOCEDVVJMI-OQKWZONESA-N	1	0	336.483	3.645	40	30		EHEBRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(CC#N)cc1	ZINC000225581593	564048014	/nfs/dbraw/zinc/04/80/14/564048014.db2.gz	NPBWFHCGKTZUHU-GOSISDBHSA-N	1	0	344.528	3.694	40	30		EHEBRO
Cc1ccc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000004454595	210193924	/nfs/dbraw/zinc/19/39/24/210193924.db2.gz	ZNYBTCQDFCDXKJ-UHFFFAOYSA-O	1	0	329.729	3.593	40	30		EHEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc2c1	ZINC000035446842	213028636	/nfs/dbraw/zinc/02/86/36/213028636.db2.gz	VEIRQEYHSPVZJZ-AWEZNQCLSA-N	1	0	338.361	3.702	40	30	biogenic,in-vitro	EHEBRO
C=CCOc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1	ZINC000225401072	241844246	/nfs/dbraw/zinc/84/42/46/241844246.db2.gz	MWPFFRNLOQYMIR-UHFFFAOYSA-N	1	0	347.528	3.804	40	30		EHEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(F)cc1)C2	ZINC000004887892	210313342	/nfs/dbraw/zinc/31/33/42/210313342.db2.gz	TWFNBNOERRPKON-ALOPSCKCSA-N	1	0	333.476	3.684	40	30		EHEBRO
CN(C)c1ccc(/C=C/C=[NH+]/OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000408588395	563486721	/nfs/dbraw/zinc/48/67/21/563486721.db2.gz	BMFLSSJBBTTZFY-RGRGLRPZSA-N	1	0	325.368	3.877	40	30		EHEBRO
C[C@@H]1CCCC[N+]1(C)CC#CC(O)(c1ccccc1)c1ccccc1	ZINC000001242055	564001932	/nfs/dbraw/zinc/00/19/32/564001932.db2.gz	XLVCCVCBTANNBV-CGHJUBPDSA-N	1	0	334.483	3.945	40	30		EHEBRO
N=C(NC(N)=[NH2+])Nc1cc2c3ccccc3ccc2c2ccccc12	ZINC000001571694	563393231	/nfs/dbraw/zinc/39/32/31/563393231.db2.gz	BVZBXCWXMAAIPR-UHFFFAOYSA-N	1	0	327.391	3.575	40	30		EHEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2	ZINC000004399958	210187558	/nfs/dbraw/zinc/18/75/58/210187558.db2.gz	ZRQMXLUWAKPHKU-YQQQUEKLSA-N	1	0	341.455	3.582	40	30		EHEBRO
Cc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=[NH2+])cc1	ZINC000103257768	219277553	/nfs/dbraw/zinc/27/75/53/219277553.db2.gz	YBBRQBNEGMHXRA-OAQYLSRUSA-O	1	0	341.434	3.851	40	30		EHEBRO
C=CCOc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1	ZINC000225437375	241862517	/nfs/dbraw/zinc/86/25/17/241862517.db2.gz	JSBDRDHILBSTEF-UHFFFAOYSA-N	1	0	347.528	3.660	40	30		EHEBRO
CC[NH+](CC)CCO/N=C(\c1ccc(Cl)cc1)c1cccnc1	ZINC000001920391	520692608	/nfs/dbraw/zinc/69/26/08/520692608.db2.gz	JNABPKGKWZIRSH-DYTRJAOYSA-N	1	0	331.847	3.846	40	30		EHEBRO
O=C(C[n+]1ccccc1Br)c1cccc2ccccc21	ZINC000001870645	563415174	/nfs/dbraw/zinc/41/51/74/563415174.db2.gz	KJKUJHWYHIREFJ-UHFFFAOYSA-N	1	0	327.201	3.773	40	30		EHEBRO
CN(C)CC(C)(C[NH+](C)C)C(=O)/C=C\c1c(Cl)cccc1Cl	ZINC000017174675	563839561	/nfs/dbraw/zinc/83/95/61/563839561.db2.gz	IOVMXIVZGRNYPZ-KTKRTIGZSA-N	1	0	343.298	3.705	40	30		EHEBRO
CCCCCCCOC(=O)COC[C@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000059676730	563949157	/nfs/dbraw/zinc/94/91/57/563949157.db2.gz	YMTQTDPVKVXQQP-AQFHOAJTSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
CCCCCCCOC(=O)COC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000247694099	563976354	/nfs/dbraw/zinc/97/63/54/563976354.db2.gz	YMTQTDPVKVXQQP-QKNQBKEWSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1OC	ZINC000008474360	258017925	/nfs/dbraw/zinc/01/79/25/258017925.db2.gz	DGYDCJBCWRXNAA-UHFFFAOYSA-N	1	0	327.424	3.601	40	30		EHEBRO
C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OC	ZINC000022076192	519004332	/nfs/dbraw/zinc/00/43/32/519004332.db2.gz	HLTVYUIKNCREHJ-QGZVFWFLSA-N	1	0	347.842	3.737	40	30		EHEBRO
CC[NH+](CC)[C@@H]1C2=C(CCCC2)OS(=O)(=O)[C@@H]1c1ccccc1	ZINC000031772332	563913021	/nfs/dbraw/zinc/91/30/21/563913021.db2.gz	AKUNJHULMSKPJC-QZTJIDSGSA-N	1	0	335.469	3.626	40	30		EHEBRO
C=CCOc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1	ZINC000260735275	564052447	/nfs/dbraw/zinc/05/24/47/564052447.db2.gz	GJCTUCAUJNJHKG-INIZCTEOSA-N	1	0	347.528	3.660	40	30		EHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(CCC)cc1)C2	ZINC000096214766	564066557	/nfs/dbraw/zinc/06/65/57/564066557.db2.gz	JJCQYMQOQGMTFA-NRFANRHFSA-N	1	0	326.484	3.896	40	30		EHEBRO
CCCCC[C@@H](C[N+]1(C)CCOCC1)C(=O)/C=C\c1ccccc1	ZINC000031959603	563913300	/nfs/dbraw/zinc/91/33/00/563913300.db2.gz	UPQLWYTYGLDMGF-CBUFDYBVSA-N	1	0	330.492	3.942	40	30		EHEBRO
Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1	ZINC000009063121	564127629	/nfs/dbraw/zinc/12/76/29/564127629.db2.gz	MOCUQBQQKYSSBS-UHFFFAOYSA-N	1	0	347.462	3.912	40	30		EHEBRO
CCc1nc(C#N)c(NC[C@@H](c2cccs2)[NH+]2CCCCC2)o1	ZINC000028251123	564150857	/nfs/dbraw/zinc/15/08/57/564150857.db2.gz	MIUJULXEXDGGRC-AWEZNQCLSA-N	1	0	330.457	3.809	40	30		EHEBRO
C#C[C@@](C)(OC[C@H](COCC(C)C)[NH+]1CCCC1)c1ccccc1	ZINC000003598309	518351522	/nfs/dbraw/zinc/35/15/22/518351522.db2.gz	BFXRCMJRKTUNIQ-LEWJYISDSA-N	1	0	329.484	3.689	40	30	in-man	EHEBRO
C=CCn1ncc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C	ZINC000057811008	564065178	/nfs/dbraw/zinc/06/51/78/564065178.db2.gz	WSYDKXZQGITWKR-HXUWFJFHSA-N	1	0	325.456	3.559	40	30		EHEBRO
CC[N+]1(CC)CC(=O)O[C@H](Cn2c3ccccc3c3ccccc32)C1	ZINC000095116859	717138646	/nfs/dbraw/zinc/13/86/46/717138646.db2.gz	LGIATTDGGIWWDY-MRXNPFEDSA-N	1	0	337.443	3.577	40	30		EHEBRO
CCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002291261	564003830	/nfs/dbraw/zinc/00/38/30/564003830.db2.gz	UGPBZXADQRDUJR-ABSDTBQOSA-N	1	0	340.528	3.638	40	30		EHEBRO
C/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1C[C@H]1CCCO1	ZINC000004858427	210303033	/nfs/dbraw/zinc/30/30/33/210303033.db2.gz	GLZUWKBTOCUQNP-DVSFIDLUSA-N	1	0	341.480	3.924	40	30		EHEBRO
CC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)C[NH+](C)C	ZINC000001584690	563394343	/nfs/dbraw/zinc/39/43/43/563394343.db2.gz	HSWVSWCXWXQKNO-SRMXYGTFSA-N	1	0	328.239	3.733	40	30		EHEBRO
N#Cc1c(SC(N)=[NH2+])nnc(-c2ccccc2)c1-c1ccccc1	ZINC000005604437	564006252	/nfs/dbraw/zinc/00/62/52/564006252.db2.gz	OGYITIQMFZMEBO-UHFFFAOYSA-N	1	0	331.404	3.668	40	30		EHEBRO
C#CCOc1cccc(C[N@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)c1	ZINC000013994806	518330787	/nfs/dbraw/zinc/33/07/87/518330787.db2.gz	QCJQCBABTDVNMR-HXUWFJFHSA-N	1	0	339.435	3.781	40	30		EHEBRO
O=[N+]([O-])c1cccc(CO/[NH+]=C/c2ccc(N3CCCC3)cc2)c1	ZINC000408594069	563493720	/nfs/dbraw/zinc/49/37/20/563493720.db2.gz	RWSYOBSGGBSEMA-CPNJWEJPSA-N	1	0	325.368	3.746	40	30		EHEBRO
Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000039767396	563900501	/nfs/dbraw/zinc/90/05/01/563900501.db2.gz	JHJZYZRHNFUGCZ-UHFFFAOYSA-N	1	0	347.462	3.912	40	30		EHEBRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(CC#N)cc1	ZINC000225581612	564048004	/nfs/dbraw/zinc/04/80/04/564048004.db2.gz	NPBWFHCGKTZUHU-SFHVURJKSA-N	1	0	344.528	3.694	40	30		EHEBRO
C=CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038832445	213226406	/nfs/dbraw/zinc/22/64/06/213226406.db2.gz	CUYVLKORCHSTLN-GFCCVEGCSA-N	1	0	327.255	3.508	40	30		EHEBRO
C=CCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1	ZINC000057810986	564065181	/nfs/dbraw/zinc/06/51/81/564065181.db2.gz	LUPAMDHDVHUWDP-FQEVSTJZSA-N	1	0	325.456	3.559	40	30		EHEBRO
CCc1nc(C#N)c(NC[C@H](c2cccs2)[NH+]2CCCCC2)o1	ZINC000028251116	564150862	/nfs/dbraw/zinc/15/08/62/564150862.db2.gz	MIUJULXEXDGGRC-CQSZACIVSA-N	1	0	330.457	3.809	40	30		EHEBRO
C=C1C[C@@H](C)O[C@H](c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)C1	ZINC000004024186	210101271	/nfs/dbraw/zinc/10/12/71/210101271.db2.gz	NHCUSKSOSKGMKT-QFUCXCTJSA-N	1	0	345.483	3.708	40	30		EHEBRO
N#CC1(CN2CCCC3(CCC[N@H+](CC4(C#N)CCC4)C3)C2)CCC1	ZINC000333419945	1138287987	/nfs/dbraw/zinc/28/79/87/1138287987.db2.gz	LRXAETTWWKEHON-UHFFFAOYSA-N	1	0	340.515	3.552	40	30		EHEBRO
C/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1C[C@@H]1CCCO1	ZINC000004858425	210303681	/nfs/dbraw/zinc/30/36/81/210303681.db2.gz	GLZUWKBTOCUQNP-JVMRMLDLSA-N	1	0	341.480	3.924	40	30		EHEBRO
C=CCOc1c(Br)cc(C[NH2+]CC(C)C)cc1OC	ZINC000006883531	564070833	/nfs/dbraw/zinc/07/08/33/564070833.db2.gz	YQDPPLXCLWMJPJ-UHFFFAOYSA-N	1	0	328.250	3.768	40	30		EHEBRO
COc1ccc(C(=O)/C=C/[n+]2cccc(Cc3ccccc3)c2)cc1	ZINC000004280669	523537917	/nfs/dbraw/zinc/53/79/17/523537917.db2.gz	PVSKYAMRLRUEKQ-FYWRMAATSA-N	1	0	330.407	3.927	40	30		EHEBRO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)C1	ZINC000332745346	1036047620	/nfs/dbraw/zinc/04/76/20/1036047620.db2.gz	GSMAVTOSAOKHCR-MAODMQOUSA-N	1	0	347.462	3.726	40	30		EHEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(SC)c1	ZINC000008254584	119355855	/nfs/dbraw/zinc/35/58/55/119355855.db2.gz	ROVQBULYGSCFKB-OFQRWUPVSA-N	1	0	347.553	3.591	40	30	biogenic,in-vitro	EHEBRO
Cc1ccc(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=[NH2+])cc1	ZINC000103257763	219277659	/nfs/dbraw/zinc/27/76/59/219277659.db2.gz	YBBRQBNEGMHXRA-NRFANRHFSA-O	1	0	341.434	3.851	40	30		EHEBRO
CCCCCCCOC(=O)COC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000059676727	563949140	/nfs/dbraw/zinc/94/91/40/563949140.db2.gz	YMTQTDPVKVXQQP-KTVLMBSMSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
COc1cccc(C=NNc2cc(C)[nH+]c3cc4c(cc23)OCO4)c1	ZINC000013208327	563692047	/nfs/dbraw/zinc/69/20/47/563692047.db2.gz	MSEAFZSETBWEAL-KEBDBYFISA-N	1	0	335.363	3.727	40	30		EHEBRO
CCN(CC)c1ccc(/C=[NH+]/OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000408594060	563493798	/nfs/dbraw/zinc/49/37/98/563493798.db2.gz	RTRGSHMNAWIZFF-CPNJWEJPSA-N	1	0	327.384	3.992	40	30		EHEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1OCC)C2	ZINC000004887871	210313580	/nfs/dbraw/zinc/31/35/80/210313580.db2.gz	BKNLZVPSHKNKRD-ALOPSCKCSA-N	1	0	343.471	3.778	40	30		EHEBRO
C=CC[NH+]1CCC2(CC1)C[C@H](NCc1ccoc1)c1ccccc1O2	ZINC000096079798	564066506	/nfs/dbraw/zinc/06/65/06/564066506.db2.gz	HYSSDXLIQWFPBQ-IBGZPJMESA-N	1	0	338.451	3.914	40	30		EHEBRO
C[NH2+]CCC[C@@]1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21	ZINC000022055583	212273632	/nfs/dbraw/zinc/27/36/32/212273632.db2.gz	GPKQVLTWAMPYDA-IBGZPJMESA-N	1	0	326.827	3.985	40	30	in-vitro	EHEBRO
Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cc[nH+]cc1	ZINC000408593672	563493775	/nfs/dbraw/zinc/49/37/75/563493775.db2.gz	CJYNAXVZBABFJU-YDZHTSKRSA-N	1	0	330.391	3.912	40	30		EHEBRO
COc1ccc(C/[NH+]=C\c2cc(Br)c(N(C)C)o2)cc1	ZINC000408856369	564007719	/nfs/dbraw/zinc/00/77/19/564007719.db2.gz	HTWMWFHARJZROF-YVLHZVERSA-N	1	0	337.217	3.736	40	30		EHEBRO
C=CCOc1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000225737632	242013121	/nfs/dbraw/zinc/01/31/21/242013121.db2.gz	YWKMFHNDCXRXNY-MRXNPFEDSA-N	1	0	347.528	3.660	40	30		EHEBRO
C#C[C@@](C)(OC[C@@H](COCC(C)C)[NH+]1CCCC1)c1ccccc1	ZINC000003598311	518352882	/nfs/dbraw/zinc/35/28/82/518352882.db2.gz	BFXRCMJRKTUNIQ-NHCUHLMSSA-N	1	0	329.484	3.689	40	30	in-man	EHEBRO
C[C@H]1CCCC[N+]1(C)CC#CC(O)(c1ccccc1)c1ccccc1	ZINC000001242053	564001929	/nfs/dbraw/zinc/00/19/29/564001929.db2.gz	XLVCCVCBTANNBV-QHELBMECSA-N	1	0	334.483	3.945	40	30		EHEBRO
Cc1[nH+]c2ccccc2c(N)c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000017068535	564024822	/nfs/dbraw/zinc/02/48/22/564024822.db2.gz	BWSCGYQJSWCHFQ-MDZDMXLPSA-N	1	0	333.347	3.930	40	30		EHEBRO
Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@H+](C)CCC#N)C=C2C)o1	ZINC000035442625	213028435	/nfs/dbraw/zinc/02/84/35/213028435.db2.gz	KNCQYYIMPKIROX-BZSNNMDCSA-N	1	0	330.476	3.621	40	30	biogenic,in-vitro	EHEBRO
CCN(CC)c1ccc(/C=[NH+]/NCc2ccc(OC)c(OC)c2)cc1	ZINC000020195978	520882997	/nfs/dbraw/zinc/88/29/97/520882997.db2.gz	DXMNGZKQDZTDRE-KGENOOAVSA-N	1	0	341.455	3.674	40	30		EHEBRO
CCCCCCCOC(=O)COC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000247694100	563976346	/nfs/dbraw/zinc/97/63/46/563976346.db2.gz	YMTQTDPVKVXQQP-ZJOUEHCJSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1OCC	ZINC000008254476	564072379	/nfs/dbraw/zinc/07/23/79/564072379.db2.gz	BXNYAKVWAGCJFN-UHFFFAOYSA-N	1	0	341.451	3.991	40	30		EHEBRO
CCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000001824797	520716486	/nfs/dbraw/zinc/71/64/86/520716486.db2.gz	UGPBZXADQRDUJR-SQGPQFPESA-N	1	0	340.528	3.638	40	30		EHEBRO
CC[NH+](CC)[C@H]1C2=C(CCCC2)OS(=O)(=O)[C@H]1c1ccccc1	ZINC000031772334	563912997	/nfs/dbraw/zinc/91/29/97/563912997.db2.gz	AKUNJHULMSKPJC-ROUUACIJSA-N	1	0	335.469	3.626	40	30		EHEBRO
CCCCCCCOC(=O)COC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000247694098	563976353	/nfs/dbraw/zinc/97/63/53/563976353.db2.gz	YMTQTDPVKVXQQP-IRFCIJBXSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
CC(C)c1ccc(NC(=[NH2+])Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1	ZINC000017072261	564024914	/nfs/dbraw/zinc/02/49/14/564024914.db2.gz	QGJSHPWCCYAHNU-UHFFFAOYSA-N	1	0	347.422	3.619	40	30		EHEBRO
N#Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1	ZINC000049169810	564032629	/nfs/dbraw/zinc/03/26/29/564032629.db2.gz	CGHOFBYCOPZLKC-IBGZPJMESA-N	1	0	344.418	3.522	40	30	biogenic,in-vitro	EHEBRO
N#Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3)CC1)O2	ZINC000225823486	242053681	/nfs/dbraw/zinc/05/36/81/242053681.db2.gz	JUXOTTWHCJXHOC-UHFFFAOYSA-N	1	0	332.403	3.558	40	30		EHEBRO
CCCCCCCOC(=O)COC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000247694101	563976340	/nfs/dbraw/zinc/97/63/40/563976340.db2.gz	YMTQTDPVKVXQQP-ZVDOUQERSA-N	1	0	340.528	3.926	40	30	biogenic,in-vitro	EHEBRO
C=CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038832446	213226390	/nfs/dbraw/zinc/22/63/90/213226390.db2.gz	CUYVLKORCHSTLN-LBPRGKRZSA-N	1	0	327.255	3.508	40	30		EHEBRO
C#CCOc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1	ZINC000013994769	518324401	/nfs/dbraw/zinc/32/44/01/518324401.db2.gz	DYJKOPVSFGYSEB-FQEVSTJZSA-N	1	0	339.435	3.781	40	30		EHEBRO