smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N+](CCC)(CC(=O)N(CC)CC)Cc1ccc([N+](=O)[O-])cc1	ZINC000001758905	204018908	/nfs/dbraw/zinc/01/89/08/204018908.db2.gz	UYJOCCIDNPGYHP-UHFFFAOYSA-N	1	0	350.483	3.600	40	30		FHEBRO
C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCC(C#N)(c4ccccc4)CC3)ccc2O1	ZINC000013999868	206307512	/nfs/dbraw/zinc/30/75/12/206307512.db2.gz	YZOLXXUFBBCWAZ-DYESRHJHSA-N	1	0	362.473	3.601	40	30		FHEBRO
C=C(C)Cn1nc(C)c(C[N@@H+]2CCCN(Cc3cccc(F)c3)CC2)c1C	ZINC000019577994	263374382	/nfs/dbraw/zinc/37/43/82/263374382.db2.gz	YOTIJMAPLIPAML-UHFFFAOYSA-N	1	0	370.516	3.923	40	30		FHEBRO
O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1nnc(C2CCCCC2)s1	ZINC000019714152	263375587	/nfs/dbraw/zinc/37/55/87/263375587.db2.gz	KFQUXWRBOCOHDN-OAHLLOKOSA-N	1	0	374.514	3.535	40	30		FHEBRO
Cc1ccc(S(=O)(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000083321025	525622781	/nfs/dbraw/zinc/62/27/81/525622781.db2.gz	CUHNAWOJOQIGTN-IBGZPJMESA-N	1	0	359.491	3.613	40	30		FHEBRO
COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccc(C#N)c4)C3)o2)cc1	ZINC000049170093	206086794	/nfs/dbraw/zinc/08/67/94/206086794.db2.gz	SRSQCBCFKDCBBW-SFHVURJKSA-N	1	0	360.417	3.606	40	30	biogenic,in-vitro	FHEBRO
C=CCNC(=O)[C@@H]1Cc2cn(CC#CC)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171696	206087387	/nfs/dbraw/zinc/08/73/87/206087387.db2.gz	KHIWJYDTTKCKLT-PMACEKPBSA-N	1	0	363.505	3.568	40	30	biogenic,in-vitro	FHEBRO
C=CCn1c[n+](CC(=O)c2ccc(Br)s2)c2ccccc21	ZINC000004797407	206181589	/nfs/dbraw/zinc/18/15/89/206181589.db2.gz	BPCKTMYBIIZWIM-UHFFFAOYSA-N	1	0	362.272	3.822	40	30		FHEBRO
Cc1ccc(/C=C\C(=O)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c2)cc1	ZINC000031870595	263392390	/nfs/dbraw/zinc/39/23/90/263392390.db2.gz	XKNNUKNWGSSCRT-KHPPLWFESA-N	1	0	352.478	3.720	40	30		FHEBRO
C=CCc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OC	ZINC000224778715	519128750	/nfs/dbraw/zinc/12/87/50/519128750.db2.gz	LOBGMFUJXOQAJL-UHFFFAOYSA-N	1	0	364.489	3.950	40	30		FHEBRO
Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000031769273	571055688	/nfs/dbraw/zinc/05/56/88/571055688.db2.gz	QYEAOTBJSLVJOE-OCKHKDLRSA-N	1	0	350.334	3.626	40	30		FHEBRO
O=C1C=C(NCCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2ccccc21	ZINC000042921092	571099229	/nfs/dbraw/zinc/09/92/29/571099229.db2.gz	OTIKYMAERVLSHD-OXJNMPFZSA-N	1	0	352.478	3.584	40	30		FHEBRO
C=CC[N@H+]1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1	ZINC000019530059	571140723	/nfs/dbraw/zinc/14/07/23/571140723.db2.gz	VJZHJOLFHNJUOK-RXVVDRJESA-N	1	0	374.456	3.540	40	30		FHEBRO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@]312	ZINC000072330325	571178779	/nfs/dbraw/zinc/17/87/79/571178779.db2.gz	AWARIKSVYAKVLG-CPFFRADYSA-N	1	0	361.526	3.634	40	30		FHEBRO
C=CCOc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000225730880	206120675	/nfs/dbraw/zinc/12/06/75/206120675.db2.gz	XXXCBVHMBLNLBU-IAGOWNOFSA-N	1	0	361.555	3.906	40	30		FHEBRO
C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCC(C#N)(c4ccccc4)CC3)ccc2O1	ZINC000013999866	206307307	/nfs/dbraw/zinc/30/73/07/206307307.db2.gz	YZOLXXUFBBCWAZ-UWJYYQICSA-N	1	0	362.473	3.601	40	30		FHEBRO
Cc1ccc(S(=O)(=O)OCC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000083321030	525620452	/nfs/dbraw/zinc/62/04/52/525620452.db2.gz	BDHYVCAYYBHNBW-UHFFFAOYSA-N	1	0	359.491	3.613	40	30		FHEBRO
O[C@H](C[NH2+]C1CCCCC1)CO/N=C1/CCSc2c(Cl)cccc21	ZINC000017122241	570868622	/nfs/dbraw/zinc/86/86/22/570868622.db2.gz	QSXLOGLVOHQEID-GICLCMKGSA-N	1	0	368.930	3.840	40	30		FHEBRO
COc1ccc2nc(NC(=[NH2+])NCc3cccc4ccccc43)nc(C)c2c1	ZINC000058885986	571087439	/nfs/dbraw/zinc/08/74/39/571087439.db2.gz	ZWHCERYRESXRFX-UHFFFAOYSA-N	1	0	371.444	3.836	40	30		FHEBRO
C=CCOc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217036503	571158207	/nfs/dbraw/zinc/15/82/07/571158207.db2.gz	DCBBWHBYZVNZOT-UHFFFAOYSA-N	1	0	366.461	3.977	40	30		FHEBRO
COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(C#N)cc1	ZINC000004679274	206238389	/nfs/dbraw/zinc/23/83/89/206238389.db2.gz	WZLAXAKEGKSXSK-UHFFFAOYSA-N	1	0	350.397	3.819	40	30		FHEBRO
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21	ZINC000004028262	206290658	/nfs/dbraw/zinc/29/06/58/206290658.db2.gz	JQWISHUBSOEHDO-XKCSPQBFSA-N	1	0	370.513	3.564	40	30		FHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OCC	ZINC000008254474	519034486	/nfs/dbraw/zinc/03/44/86/519034486.db2.gz	DARHZHCLFHRHFF-UHFFFAOYSA-N	1	0	371.477	4.000	40	30		FHEBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc([C@H](C#N)CCCc2ccccc2)cc1	ZINC000017039863	520587900	/nfs/dbraw/zinc/58/79/00/520587900.db2.gz	NORDHUOLOBRMOI-SFHVURJKSA-N	1	0	374.492	3.922	40	30		FHEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2	ZINC000012219337	571117621	/nfs/dbraw/zinc/11/76/21/571117621.db2.gz	VWHFHYGWOAPWOB-TYABSZSSSA-N	1	0	365.448	3.852	40	30		FHEBRO
C=CC[N@H+]1CCC[C@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1	ZINC000019530049	571140696	/nfs/dbraw/zinc/14/06/96/571140696.db2.gz	XUCVLPVQZZMZCF-GHTZIAJQSA-N	1	0	374.456	3.540	40	30		FHEBRO
O=C(C[n+]1cccc(C(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1	ZINC000001726184	204018208	/nfs/dbraw/zinc/01/82/08/204018208.db2.gz	VLLYMNCYOTXBEJ-UHFFFAOYSA-O	1	0	366.828	3.519	40	30		FHEBRO
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1	ZINC000005554287	204215085	/nfs/dbraw/zinc/21/50/85/204215085.db2.gz	LSCGZJZKKAPTNP-BZSNNMDCSA-N	1	0	364.489	3.775	40	30		FHEBRO
C=CCNC(=O)[C@@H]1Cc2cn(CC=C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171828	206087124	/nfs/dbraw/zinc/08/71/24/206087124.db2.gz	VIZNSNDQNIUADO-OALUTQOASA-N	1	0	351.494	3.731	40	30	biogenic,in-vitro	FHEBRO
C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCC(C#N)(c4ccccc4)CC3)ccc2O1	ZINC000013999863	206308196	/nfs/dbraw/zinc/30/81/96/206308196.db2.gz	YZOLXXUFBBCWAZ-UTKZUKDTSA-N	1	0	362.473	3.601	40	30		FHEBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc([C@H](C#N)CCCc2ccccc2)c1	ZINC000017039860	520588076	/nfs/dbraw/zinc/58/80/76/520588076.db2.gz	WNCKKNJQXNBPKU-SFHVURJKSA-N	1	0	374.492	3.502	40	30		FHEBRO
CN(C)CC(C[NH+](C)C)C(=O)C=Cc1ccc(OCc2ccccc2)cc1	ZINC000017140407	524047165	/nfs/dbraw/zinc/04/71/65/524047165.db2.gz	ZSEBEHIYUDUVEO-QINSGFPZSA-N	1	0	366.505	3.587	40	30		FHEBRO
C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)s3)C[C@@H]2c2nccs2)C1=O	ZINC000306129966	571151320	/nfs/dbraw/zinc/15/13/20/571151320.db2.gz	ISTBVOOOWJHWNR-APWZRJJASA-N	1	0	373.547	3.517	40	30		FHEBRO
COc1ccc(/C=C2\C[N+](C)(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1	ZINC000017196998	204651618	/nfs/dbraw/zinc/65/16/18/204651618.db2.gz	XRSINPISRKXUKH-LRVMPXQBSA-N	1	0	364.465	3.830	40	30		FHEBRO
COc1ccc(C(=O)[C@H](C)[n+]2ccc(C)c3ccccc32)cc1[N+](=O)[O-]	ZINC000004949848	206185466	/nfs/dbraw/zinc/18/54/66/206185466.db2.gz	KPGTVHJVNCEJEX-AWEZNQCLSA-N	1	0	351.382	3.796	40	30		FHEBRO
O=C(CN1CCC[C@H]1Cn1cccn1)Nc1nnc(C2CCCCC2)s1	ZINC000019714153	263375298	/nfs/dbraw/zinc/37/52/98/263375298.db2.gz	KFQUXWRBOCOHDN-HNNXBMFYSA-N	1	0	374.514	3.535	40	30		FHEBRO
N#CCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1	ZINC000039743904	263399250	/nfs/dbraw/zinc/39/92/50/263399250.db2.gz	AOGQHYXORKBTEX-UHFFFAOYSA-N	1	0	351.425	3.742	40	30		FHEBRO
C=CCOc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000225730758	519038803	/nfs/dbraw/zinc/03/88/03/519038803.db2.gz	LFNUWRUZYGZFMJ-CALCHBBNSA-N	1	0	361.555	3.906	40	30		FHEBRO
C=CCc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1OC	ZINC000224614177	519128302	/nfs/dbraw/zinc/12/83/02/519128302.db2.gz	ZOJUKYMGPRVBRF-UHFFFAOYSA-N	1	0	364.489	3.950	40	30		FHEBRO
CCCc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(Oc3ccccc3)cc2)n1	ZINC000020503073	521342332	/nfs/dbraw/zinc/34/23/32/521342332.db2.gz	WYPFDDVKTYZYNW-UHFFFAOYSA-N	1	0	363.421	3.573	40	30		FHEBRO
C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1	ZINC000011612356	524884803	/nfs/dbraw/zinc/88/48/03/524884803.db2.gz	LSCGZJZKKAPTNP-OKZBNKHCSA-N	1	0	364.489	3.775	40	30		FHEBRO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cn1	ZINC000585295279	570507094	/nfs/dbraw/zinc/50/70/94/570507094.db2.gz	SOBNTOWQGOVHPD-FQEVSTJZSA-N	1	0	356.433	3.824	40	30		FHEBRO
COc1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1	ZINC000016957348	570863577	/nfs/dbraw/zinc/86/35/77/570863577.db2.gz	XRSINPISRKXUKH-AXPXABNXSA-N	1	0	364.465	3.830	40	30		FHEBRO
C[NH+](C)Cc1cc(C(=O)/C=C/c2ccc(F)cc2)cc(C[NH+](C)C)c1[O-]	ZINC000016958810	570864157	/nfs/dbraw/zinc/86/41/57/570864157.db2.gz	FRKYDPHCHJZHHI-JXMROGBWSA-N	1	0	356.441	3.551	40	30		FHEBRO
Cc1cccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1C	ZINC000006924550	204282033	/nfs/dbraw/zinc/28/20/33/204282033.db2.gz	ZZXXOAHJBMSYGH-UHFFFAOYSA-O	1	0	364.444	3.783	40	30		FHEBRO
CC[NH+](CC)CCCNc1oc(/C=C/c2cccc(OC)c2)nc1C#N	ZINC000007263581	204293072	/nfs/dbraw/zinc/29/30/72/204293072.db2.gz	MQHJLCXWKZVDSK-ZHACJKMWSA-N	1	0	354.454	3.869	40	30		FHEBRO
O[C@@H](C[NH2+]C1CCCCC1)CO/N=C1/CCSc2c(Cl)cccc21	ZINC000017122236	204650681	/nfs/dbraw/zinc/65/06/81/204650681.db2.gz	QSXLOGLVOHQEID-NNLSSIJJSA-N	1	0	368.930	3.840	40	30		FHEBRO
C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21	ZINC000107746140	206023249	/nfs/dbraw/zinc/02/32/49/206023249.db2.gz	GEGNLMGKHDZLLO-HLAWJBBLSA-N	1	0	363.461	3.524	40	30		FHEBRO
[NH2+]=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccccc2)cc(=O)[nH]1	ZINC000017076407	263372156	/nfs/dbraw/zinc/37/21/56/263372156.db2.gz	IEBVRLZPPFZZOK-UHFFFAOYSA-N	1	0	373.338	3.514	40	30		FHEBRO
C=CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1	ZINC000224627557	519025788	/nfs/dbraw/zinc/02/57/88/519025788.db2.gz	DJHXVAVSBFGGPV-UHFFFAOYSA-N	1	0	350.462	3.777	40	30		FHEBRO
C[NH+]=C(NCCSCc1ccc2ccccc2n1)NCc1ccccc1	ZINC000008672824	523672946	/nfs/dbraw/zinc/67/29/46/523672946.db2.gz	DWZCTPACEUSXIB-UHFFFAOYSA-N	1	0	364.518	3.833	40	30		FHEBRO
Cc1ccc(S(=O)(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000083321022	525620847	/nfs/dbraw/zinc/62/08/47/525620847.db2.gz	CUHNAWOJOQIGTN-LJQANCHMSA-N	1	0	359.491	3.613	40	30		FHEBRO
C=C(C)Cn1nc(C)c(C[NH+]2CCC(O)(c3ccccc3C)CC2)c1C	ZINC000012188742	571117638	/nfs/dbraw/zinc/11/76/38/571117638.db2.gz	JNVDCHPZTGATPP-UHFFFAOYSA-N	1	0	353.510	3.868	40	30		FHEBRO
C=CC[N@H+]1CCC[C@@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1	ZINC000019530071	571304068	/nfs/dbraw/zinc/30/40/68/571304068.db2.gz	IKDMKALNULPKOB-IERDGZPVSA-N	1	0	374.456	3.540	40	30		FHEBRO
COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1	ZINC000001802988	204019992	/nfs/dbraw/zinc/01/99/92/204019992.db2.gz	ZWSKQYINLNUCMK-GOSISDBHSA-O	1	0	374.258	3.568	40	30		FHEBRO
O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2	ZINC000002684615	204050910	/nfs/dbraw/zinc/05/09/10/204050910.db2.gz	PXJDTGBWXDIDBO-VOTSOKGWSA-O	1	0	373.432	3.554	40	30		FHEBRO
CC1CC[NH+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000005554268	204214968	/nfs/dbraw/zinc/21/49/68/204214968.db2.gz	PYBDOOXQGIMDOF-KRWDZBQOSA-N	1	0	350.462	3.529	40	30		FHEBRO
CCN(CC)c1ccc(/C=[NH+]\N2CCN(Cc3ccccc3)CC2)cc1	ZINC000019771374	263376668	/nfs/dbraw/zinc/37/66/68/263376668.db2.gz	IMZIFRKFRVCUCI-NKFKGCMQSA-N	1	0	350.510	3.685	40	30		FHEBRO
N#CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1	ZINC000038849862	526483919	/nfs/dbraw/zinc/48/39/19/526483919.db2.gz	VHECHNKSJRALSU-GOSISDBHSA-N	1	0	351.425	3.742	40	30		FHEBRO
COc1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1	ZINC000017196996	570747183	/nfs/dbraw/zinc/74/71/83/570747183.db2.gz	XRSINPISRKXUKH-IWGRKNQJSA-N	1	0	364.465	3.830	40	30		FHEBRO
[NH2+]=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2)CC1	ZINC000015922242	570848134	/nfs/dbraw/zinc/84/81/34/570848134.db2.gz	HTWVBUISVTWBIE-UHFFFAOYSA-N	1	0	363.292	3.757	40	30		FHEBRO
COc1ccc(-c2c(C#N)c(N)nc3c2C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000016217387	571157174	/nfs/dbraw/zinc/15/71/74/571157174.db2.gz	OVIKNVFKHHFMNE-UHFFFAOYSA-N	1	0	370.456	3.769	40	30		FHEBRO
C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@@H]21)c1ccccc1	ZINC000006623786	209453269	/nfs/dbraw/zinc/45/32/69/209453269.db2.gz	UARIRGJWHKWMHN-VESONXEJSA-N	1	0	369.505	3.863	40	30		FHEBRO
COc1ccc(C(=O)[C@@H](C)[n+]2ccc(C)c3ccccc32)cc1[N+](=O)[O-]	ZINC000004949849	209430314	/nfs/dbraw/zinc/43/03/14/209430314.db2.gz	KPGTVHJVNCEJEX-CQSZACIVSA-N	1	0	351.382	3.796	40	30		FHEBRO
CN(C)c1ccc(N(O)C=CC=C[N+](=O)c2ccc(N(C)C)cc2)cc1	ZINC000104076402	522253150	/nfs/dbraw/zinc/25/31/50/522253150.db2.gz	DHDBZHMVWRZRPO-WRMXBQAQSA-N	1	0	352.438	3.500	40	30		FHEBRO
CN(CCC#N)C1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1	ZINC000001677759	570504407	/nfs/dbraw/zinc/50/44/07/570504407.db2.gz	MZNKYLVKPLWIBF-UHFFFAOYSA-N	1	0	352.825	3.577	40	30		FHEBRO
C#CCOc1cccc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1	ZINC000012188844	571117604	/nfs/dbraw/zinc/11/76/04/571117604.db2.gz	HMCRTSWEMFFAKB-QFIPXVFZSA-N	1	0	353.437	3.711	40	30		FHEBRO
C=CC[N@H+]1CCC[C@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1	ZINC000019530053	571304085	/nfs/dbraw/zinc/30/40/85/571304085.db2.gz	XUCVLPVQZZMZCF-WIYYLYMNSA-N	1	0	374.456	3.540	40	30		FHEBRO
O=C(/C=C/[n+]1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	ZINC000005252618	207089934	/nfs/dbraw/zinc/08/99/34/207089934.db2.gz	ICTJHFZUIRLVNA-NTEUORMPSA-N	1	0	358.259	3.690	40	30		FHEBRO
O[C@H](C[NH2+]C1CCCCC1)CO/N=C1\CCSc2c(Cl)cccc21	ZINC000005648344	207111296	/nfs/dbraw/zinc/11/12/96/207111296.db2.gz	QSXLOGLVOHQEID-LQFHHUIYSA-N	1	0	368.930	3.840	40	30		FHEBRO
O=C1N(Cc2ccccc2)[C@@H]2[C@@H](C[S@+]3CCC[C@@H]23)N1Cc1ccccc1	ZINC000100308860	527038740	/nfs/dbraw/zinc/03/87/40/527038740.db2.gz	CHQOEHPMXSHGCL-SBZFUYPRSA-N	1	0	365.522	3.656	40	30	world	FHEBRO
C=CCN(C(=O)c1cc2c(s1)CC[NH2+]C2)c1nc2c(s1)CCCC2	ZINC000685938992	568434633	/nfs/dbraw/zinc/43/46/33/568434633.db2.gz	UUDYTRVEMORGBD-UHFFFAOYSA-N	1	0	359.520	3.562	40	30		FHEBRO
CCN([S@+](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000006891409	570656604	/nfs/dbraw/zinc/65/66/04/570656604.db2.gz	BELAECAGMQKEOI-NRFANRHFSA-N	1	0	356.920	3.881	40	30		FHEBRO
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004794041	570774503	/nfs/dbraw/zinc/77/45/03/570774503.db2.gz	YVWBACPZDDNQBJ-RQHKDAMNSA-N	1	0	360.370	3.542	40	30		FHEBRO
CCCCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1	ZINC000105248432	570776441	/nfs/dbraw/zinc/77/64/41/570776441.db2.gz	BBZOKQXXNCLUAA-UHFFFAOYSA-N	1	0	356.894	3.663	40	30		FHEBRO
C=CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C	ZINC000012344964	571118046	/nfs/dbraw/zinc/11/80/46/571118046.db2.gz	FDIASNFMGGCVPP-WCRBZPEASA-N	1	0	355.457	3.531	40	30		FHEBRO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1	ZINC000585295226	571126650	/nfs/dbraw/zinc/12/66/50/571126650.db2.gz	QUJISAPOCNPTHQ-FQEVSTJZSA-N	1	0	356.433	3.824	40	30		FHEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2	ZINC000019014298	571140394	/nfs/dbraw/zinc/14/03/94/571140394.db2.gz	YEFGLSZZTDXCCO-TYABSZSSSA-N	1	0	365.448	3.852	40	30		FHEBRO
C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21	ZINC000107746136	209278886	/nfs/dbraw/zinc/27/88/86/209278886.db2.gz	GEGNLMGKHDZLLO-CEWLAPEOSA-N	1	0	363.461	3.524	40	30		FHEBRO
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO[C@H](O)[C@@H](C)O	ZINC000100068172	209209161	/nfs/dbraw/zinc/20/91/61/209209161.db2.gz	GNLNRQZETOCIRZ-KHZSKIHSSA-N	1	0	373.578	3.648	40	30		FHEBRO
COc1ccc2c(c1)CC/C(=C/c1ccc(OCC[NH+](C)C)cc1)C2=O	ZINC000008652768	207241286	/nfs/dbraw/zinc/24/12/86/207241286.db2.gz	AHJRMHKPTKWZDQ-JXAWBTAJSA-N	1	0	351.446	3.848	40	30		FHEBRO
CCC(=O)N1c2ccc(C(=O)C[n+]3ccc4ccccc4c3)cc2C[C@@H]1C	ZINC000005000293	521166960	/nfs/dbraw/zinc/16/69/60/521166960.db2.gz	WVLBHWGBEZZYTF-INIZCTEOSA-N	1	0	359.449	3.698	40	30		FHEBRO
C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCC[NH2+]C1	ZINC000072391928	571053794	/nfs/dbraw/zinc/05/37/94/571053794.db2.gz	GYKQZZHEFADJJH-QFIPXVFZSA-N	1	0	352.453	3.707	40	30		FHEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3ccc(C)s3)C[C@H]2c2nccs2)C1=O	ZINC000306129968	571151547	/nfs/dbraw/zinc/15/15/47/571151547.db2.gz	ISTBVOOOWJHWNR-QFBILLFUSA-N	1	0	373.547	3.517	40	30		FHEBRO
CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]([NH3+])CO[C@@H](O)[C@H](C)O	ZINC000263583517	571277984	/nfs/dbraw/zinc/27/79/84/571277984.db2.gz	GNLNRQZETOCIRZ-LTNMTGGOSA-N	1	0	373.578	3.648	40	30		FHEBRO
C=CC[N@H+]1CCC[C@@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)C1	ZINC000019530055	571304063	/nfs/dbraw/zinc/30/40/63/571304063.db2.gz	XUCVLPVQZZMZCF-NQIIRXRSSA-N	1	0	374.456	3.540	40	30		FHEBRO
O=C1N(Cc2ccccc2)[C@H]2[C@H]3CCC[S@+]3C[C@H]2N1Cc1ccccc1	ZINC000003831581	570568055	/nfs/dbraw/zinc/56/80/55/570568055.db2.gz	CHQOEHPMXSHGCL-VLECTGLKSA-N	1	0	365.522	3.656	40	30	world	FHEBRO
CC1CC[NH+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000005554274	207104668	/nfs/dbraw/zinc/10/46/68/207104668.db2.gz	PYBDOOXQGIMDOF-QGZVFWFLSA-N	1	0	350.462	3.529	40	30		FHEBRO
C=CCSc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000219820497	132374648	/nfs/dbraw/zinc/37/46/48/132374648.db2.gz	APNGQQYWJWGGAA-UHFFFAOYSA-N	1	0	367.518	3.969	40	30		FHEBRO
N#CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1	ZINC000038849863	526484340	/nfs/dbraw/zinc/48/43/40/526484340.db2.gz	VHECHNKSJRALSU-SFHVURJKSA-N	1	0	351.425	3.742	40	30		FHEBRO
C=CCN(c1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1)S(C)(=O)=O	ZINC000011117873	571116925	/nfs/dbraw/zinc/11/69/25/571116925.db2.gz	ZSPWWOOPXUOUBX-UHFFFAOYSA-N	1	0	364.898	3.582	40	30		FHEBRO
COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)o1	ZINC000049169996	209334095	/nfs/dbraw/zinc/33/40/95/209334095.db2.gz	QNXKLVSGMDNJQK-KRWDZBQOSA-N	1	0	360.417	3.606	40	30	biogenic,in-vitro	FHEBRO
N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H]([NH3+])C2)c(Cl)c1	ZINC000072317946	208832020	/nfs/dbraw/zinc/83/20/20/208832020.db2.gz	RLKRLNQEXBPQGQ-OZOXKJRCSA-N	1	0	367.880	3.680	40	30		FHEBRO
C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC	ZINC000008470155	519004484	/nfs/dbraw/zinc/00/44/84/519004484.db2.gz	OJZITJARCRSSTH-UHFFFAOYSA-N	1	0	361.825	3.932	40	30		FHEBRO
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCCC)C2	ZINC000049171878	560084190	/nfs/dbraw/zinc/08/41/90/560084190.db2.gz	HLNPDZDFWBQODJ-OALUTQOASA-N	1	0	353.510	3.955	40	30	biogenic,in-vitro	FHEBRO
CC(N=Nc1ccccc1)[C@]1(C)N(O)C(C)(C)C(c2cccs2)[N+]1=O	ZINC000007787399	568255976	/nfs/dbraw/zinc/25/59/76/568255976.db2.gz	MRPHNIDGGABMBU-DYGKOUCMSA-N	1	0	358.467	3.735	40	30		FHEBRO
O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)Nc1ccc(Cl)cc1	ZINC000001726185	570506026	/nfs/dbraw/zinc/50/60/26/570506026.db2.gz	HYBZYNWYOZDMIE-UHFFFAOYSA-O	1	0	366.828	3.519	40	30		FHEBRO
Cc1ccc(/C=C/C(=O)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c2)cc1	ZINC000016958806	570864044	/nfs/dbraw/zinc/86/40/44/570864044.db2.gz	XKNNUKNWGSSCRT-ZHACJKMWSA-N	1	0	352.478	3.720	40	30		FHEBRO
C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1ccncc1	ZINC000019808647	570903715	/nfs/dbraw/zinc/90/37/15/570903715.db2.gz	GPZDYTLXFCWDQP-UQQQWYQISA-N	1	0	354.457	3.803	40	30		FHEBRO
N#Cc1ccc(Nc2cccc(C3CC[NH+](Cc4ccncc4)CC3)n2)cn1	ZINC000585293021	571126981	/nfs/dbraw/zinc/12/69/81/571126981.db2.gz	BXCPVNCWKBQKAQ-UHFFFAOYSA-N	1	0	370.460	3.866	40	30		FHEBRO
C=CC[N@H+]1CCC[C@@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1	ZINC000019530063	571304056	/nfs/dbraw/zinc/30/40/56/571304056.db2.gz	VJZHJOLFHNJUOK-NQIIRXRSSA-N	1	0	374.456	3.540	40	30		FHEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21	ZINC000004305168	945301713	/nfs/dbraw/zinc/30/17/13/945301713.db2.gz	LBXIBQQYUBUMMK-QDGJQWLKSA-N	1	0	366.461	3.744	40	30		FHEBRO
O=C(C[NH+]1CCCC1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1	ZINC000019376252	206747248	/nfs/dbraw/zinc/74/72/48/206747248.db2.gz	KNWJTCHQPDGFDE-UHFFFAOYSA-N	1	0	361.489	3.501	40	30		FHEBRO
O=C1C=C(NCCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2ccccc21	ZINC000042921090	208296892	/nfs/dbraw/zinc/29/68/92/208296892.db2.gz	OTIKYMAERVLSHD-OXQOHEQNSA-N	1	0	352.478	3.584	40	30		FHEBRO
C=CCOc1c(Br)cc(C[NH2+]Cc2cccnc2)cc1OC	ZINC000007274901	519002249	/nfs/dbraw/zinc/00/22/49/519002249.db2.gz	XSXXMKYEWHAECA-UHFFFAOYSA-N	1	0	363.255	3.707	40	30		FHEBRO
C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000032422035	519026275	/nfs/dbraw/zinc/02/62/75/519026275.db2.gz	DTYVMQRFSOOODG-UHFFFAOYSA-N	1	0	350.462	3.777	40	30		FHEBRO
CCC(=O)N1c2ccc(C(=O)C[n+]3ccc4ccccc4c3)cc2C[C@H]1C	ZINC000005000294	521166685	/nfs/dbraw/zinc/16/66/85/521166685.db2.gz	WVLBHWGBEZZYTF-MRXNPFEDSA-N	1	0	359.449	3.698	40	30		FHEBRO
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc[nH+]cc1	ZINC000408590204	570567904	/nfs/dbraw/zinc/56/79/04/570567904.db2.gz	GTCHJBIEVOKACI-CIAFOILYSA-N	1	0	350.378	3.948	40	30		FHEBRO
C[C@H]1Cc2cc([C@H](O)C[NH+]3CCC(C#N)(c4ccccc4)CC3)ccc2O1	ZINC000013999871	570840973	/nfs/dbraw/zinc/84/09/73/570840973.db2.gz	YZOLXXUFBBCWAZ-LAUBAEHRSA-N	1	0	362.473	3.601	40	30		FHEBRO
C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1	ZINC000019682251	570898301	/nfs/dbraw/zinc/89/83/01/570898301.db2.gz	JGQSQTHHVFYQNZ-UQQQWYQISA-N	1	0	354.457	3.803	40	30		FHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1	ZINC000012219317	571117613	/nfs/dbraw/zinc/11/76/13/571117613.db2.gz	SYNMSLJCEHGLDX-TYABSZSSSA-N	1	0	365.448	3.852	40	30		FHEBRO
CCCCCCCCCCCCCC[C@H](O)C[N+](C)(CCO)CCO	ZINC000066166051	571145812	/nfs/dbraw/zinc/14/58/12/571145812.db2.gz	FUJQMAPXIBDMMZ-NRFANRHFSA-N	1	0	360.603	3.870	40	30		FHEBRO
Cc1ccc(C2[N+](=O)[C@@](C)(C(C)N=Nc3ccccc3)N(O)C2(C)C)cc1	ZINC000007813288	210152340	/nfs/dbraw/zinc/15/23/40/210152340.db2.gz	FYODMUXCJIBRKL-BCIXFCFJSA-N	1	0	366.465	3.982	40	30		FHEBRO
C[NH+](C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000005722233	210637640	/nfs/dbraw/zinc/63/76/40/210637640.db2.gz	UILSIXHPMXONEE-BMJUYKDLSA-N	1	0	374.484	3.517	40	30		FHEBRO
CN(C)c1ccc([N+](=O)Cc2ccc(Br)cc2[N+](=O)[O-])cc1	ZINC000004235681	570581906	/nfs/dbraw/zinc/58/19/06/570581906.db2.gz	GUEMGAMTWVTTTQ-UHFFFAOYSA-N	1	0	364.199	3.684	40	30		FHEBRO
Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585294602	571126639	/nfs/dbraw/zinc/12/66/39/571126639.db2.gz	SFTQXWATWMOIND-KRWDZBQOSA-N	1	0	365.462	3.814	40	30		FHEBRO
C=CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)s3)C[C@H]2c2nccs2)C1=O	ZINC000306129967	571151469	/nfs/dbraw/zinc/15/14/69/571151469.db2.gz	ISTBVOOOWJHWNR-LPHOPBHVSA-N	1	0	373.547	3.517	40	30		FHEBRO
C=CC[N@H+]1CCC[C@](C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1	ZINC000019530065	210155274	/nfs/dbraw/zinc/15/52/74/210155274.db2.gz	IKDMKALNULPKOB-HRAATJIYSA-N	1	0	374.456	3.540	40	30		FHEBRO
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21	ZINC000004028261	219535321	/nfs/dbraw/zinc/53/53/21/219535321.db2.gz	JQWISHUBSOEHDO-KJXAQDMKSA-N	1	0	370.513	3.564	40	30		FHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC	ZINC000008493592	519034708	/nfs/dbraw/zinc/03/47/08/519034708.db2.gz	QUPYEJIOZNQFJZ-UHFFFAOYSA-N	1	0	357.450	3.610	40	30		FHEBRO
C=CCOc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000225730789	519039897	/nfs/dbraw/zinc/03/98/97/519039897.db2.gz	LFNUWRUZYGZFMJ-IAGOWNOFSA-N	1	0	361.555	3.906	40	30		FHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000223348041	570491220	/nfs/dbraw/zinc/49/12/20/570491220.db2.gz	FSADEYFUURXHRZ-UHFFFAOYSA-N	1	0	374.535	3.667	40	30		FHEBRO
N#Cc1ccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)cn1	ZINC000585295280	570507122	/nfs/dbraw/zinc/50/71/22/570507122.db2.gz	SOBNTOWQGOVHPD-HXUWFJFHSA-N	1	0	356.433	3.824	40	30		FHEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3ccc(C)s3)C[C@@H]2c2nccs2)C1=O	ZINC000306129969	571151456	/nfs/dbraw/zinc/15/14/56/571151456.db2.gz	ISTBVOOOWJHWNR-VQIMIIECSA-N	1	0	373.547	3.517	40	30		FHEBRO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@@]312	ZINC000072330324	571178713	/nfs/dbraw/zinc/17/87/13/571178713.db2.gz	AWARIKSVYAKVLG-GDTQVEOYSA-N	1	0	361.526	3.634	40	30		FHEBRO
C[NH+](C)CCNc1nc(Nc2ccccc2C#N)cc(-c2ccccc2)n1	ZINC000242609818	571358330	/nfs/dbraw/zinc/35/83/30/571358330.db2.gz	CLWTZSQVOOIADO-UHFFFAOYSA-N	1	0	358.449	3.732	40	30		FHEBRO
Cc1ccc(C2[N+](=O)[C@](C)(C(C)N=Nc3ccccc3)N(O)C2(C)C)cc1	ZINC000007813289	210152212	/nfs/dbraw/zinc/15/22/12/210152212.db2.gz	FYODMUXCJIBRKL-IFRHDIGASA-N	1	0	366.465	3.982	40	30		FHEBRO
C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCC[NH2+]C1	ZINC000072391929	210066938	/nfs/dbraw/zinc/06/69/38/210066938.db2.gz	GYKQZZHEFADJJH-JOCHJYFZSA-N	1	0	352.453	3.707	40	30		FHEBRO
CN(C)c1ccc([N+](=O)Cc2ccc(Br)cc2[N+](=O)[O-])cc1	ZINC000013409600	211032110	/nfs/dbraw/zinc/03/21/10/211032110.db2.gz	GUEMGAMTWVTTTQ-ZDLGFXPLSA-N	1	0	364.199	3.684	40	30		FHEBRO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC1CC1)C2	ZINC000049171708	221020236	/nfs/dbraw/zinc/02/02/36/221020236.db2.gz	URTYUMNYELKECL-PMACEKPBSA-N	1	0	363.505	3.545	40	30	biogenic,in-vitro	FHEBRO
CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C3)o2)cc1	ZINC000049170188	221020861	/nfs/dbraw/zinc/02/08/61/221020861.db2.gz	GLIBWDWARVNVQN-IBGZPJMESA-N	1	0	373.460	3.664	40	30	biogenic,in-vitro	FHEBRO
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H]([NH3+])CO[C@H](O)[C@@H](C)O	ZINC000100068163	222234366	/nfs/dbraw/zinc/23/43/66/222234366.db2.gz	GNLNRQZETOCIRZ-FQVQSZBTSA-N	1	0	373.578	3.648	40	30		FHEBRO
COc1ccccc1CN/[NH+]=C/c1ccc(N(C)C)c(Br)c1	ZINC000020761976	263382593	/nfs/dbraw/zinc/38/25/93/263382593.db2.gz	RLCJRGVXNNJZSL-YBFXNURJSA-N	1	0	362.271	3.647	40	30		FHEBRO
CCC[C@H]1CC[NH2+]CC1N=Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-]	ZINC000408723273	570677095	/nfs/dbraw/zinc/67/70/95/570677095.db2.gz	PUSRGUYMTHURRT-CYNURGJPSA-N	1	0	359.474	3.763	40	30		FHEBRO
N#CCCC(CCC#N)(CCC#N)c1cc[n+](CCc2ccccn2)cc1	ZINC000008701005	570685227	/nfs/dbraw/zinc/68/52/27/570685227.db2.gz	RMHNHEXLYORXDG-UHFFFAOYSA-N	1	0	358.469	3.761	40	30		FHEBRO
C=CC[N@H+]1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)C1	ZINC000019530061	571304026	/nfs/dbraw/zinc/30/40/26/571304026.db2.gz	VJZHJOLFHNJUOK-WIYYLYMNSA-N	1	0	374.456	3.540	40	30		FHEBRO
C=CC[N@H+]1CCC[C@@](C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1	ZINC000019530067	210157251	/nfs/dbraw/zinc/15/72/51/210157251.db2.gz	IKDMKALNULPKOB-KKSFZXQISA-N	1	0	374.456	3.540	40	30		FHEBRO
C=CCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171528	221020368	/nfs/dbraw/zinc/02/03/68/221020368.db2.gz	UKTNKQQIOOIVIL-PMACEKPBSA-N	1	0	365.521	3.955	40	30	biogenic,in-vitro	FHEBRO
C=CCc1ccccc1OC[C@@H](S)C[NH+]1CCN(c2ccccc2)CC1	ZINC000095532721	132215365	/nfs/dbraw/zinc/21/53/65/132215365.db2.gz	FHCZCQVPVFYMKM-NRFANRHFSA-N	1	0	368.546	3.915	40	30		FHEBRO
O=C1c2ccccc2C(=O)C(NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)=C1Cl	ZINC000104232741	222351985	/nfs/dbraw/zinc/35/19/85/222351985.db2.gz	KHKZPCAJCDWDIV-WMLDXEAASA-N	1	0	372.896	3.760	40	30		FHEBRO
O=C1c2ccccc2C(=O)C(NCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)=C1Cl	ZINC000104232745	222352547	/nfs/dbraw/zinc/35/25/47/222352547.db2.gz	KHKZPCAJCDWDIV-RHSMWYFYSA-N	1	0	372.896	3.760	40	30		FHEBRO
CCC[C@@H]1CC[NH2+]CC1N=Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-]	ZINC000408723275	570677066	/nfs/dbraw/zinc/67/70/66/570677066.db2.gz	PUSRGUYMTHURRT-JOJWKMGHSA-N	1	0	359.474	3.763	40	30		FHEBRO
Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585294607	571127056	/nfs/dbraw/zinc/12/70/56/571127056.db2.gz	SFTQXWATWMOIND-QGZVFWFLSA-N	1	0	365.462	3.814	40	30		FHEBRO
Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1	ZINC000585295051	571127517	/nfs/dbraw/zinc/12/75/17/571127517.db2.gz	YJGVISXODFCBLC-LJQANCHMSA-N	1	0	360.421	3.725	40	30		FHEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000008300037	291074794	/nfs/dbraw/zinc/07/47/94/291074794.db2.gz	GYURYUPRUBDRRG-KCQAQPDRSA-N	1	0	369.387	3.603	40	30	biogenic,in-vitro	FHEBRO
COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1	ZINC000001802985	210371135	/nfs/dbraw/zinc/37/11/35/210371135.db2.gz	ZWSKQYINLNUCMK-SFHVURJKSA-O	1	0	374.258	3.568	40	30		FHEBRO
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC1CC1)C2	ZINC000049171833	221020072	/nfs/dbraw/zinc/02/00/72/221020072.db2.gz	OQYMWESQKDOQRS-PMACEKPBSA-N	1	0	365.521	3.955	40	30	biogenic,in-vitro	FHEBRO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC(C)C)C2	ZINC000049171720	221020278	/nfs/dbraw/zinc/02/02/78/221020278.db2.gz	OKLNMOXAWDNBGE-PMACEKPBSA-N	1	0	365.521	3.791	40	30	biogenic,in-vitro	FHEBRO
CN(C)c1cc[n+](CC(=O)N2c3ccccc3Sc3ccccc32)cc1	ZINC000004129525	132254245	/nfs/dbraw/zinc/25/42/45/132254245.db2.gz	WBJNFWRZLHNKPY-UHFFFAOYSA-N	1	0	362.478	3.870	40	30		FHEBRO
O=C(C=C[n+]1cccc(-c2nc(-c3ccccc3)n[nH]2)c1)c1ccccc1	ZINC000016491733	527600488	/nfs/dbraw/zinc/60/04/88/527600488.db2.gz	IXARMODBACUJAI-FYWRMAATSA-N	1	0	353.405	3.780	40	30		FHEBRO
CCN([S@@+](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000005106468	210600453	/nfs/dbraw/zinc/60/04/53/210600453.db2.gz	BELAECAGMQKEOI-OAQYLSRUSA-N	1	0	356.920	3.881	40	30		FHEBRO
COc1ccc(C(=O)C[N+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F	ZINC000002345405	210392182	/nfs/dbraw/zinc/39/21/82/210392182.db2.gz	GOJVNOUQXOSGCF-UHFFFAOYSA-N	1	0	353.417	3.701	40	30		FHEBRO
CCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCC1	ZINC000101674236	519966631	/nfs/dbraw/zinc/96/66/31/519966631.db2.gz	FWOBZDGKAIXVGK-IBGZPJMESA-N	1	0	367.554	3.512	40	30		FHEBRO
COc1ccc(CN(CC[N@H+](C)CCCCC#N)c2ccccn2)cc1	ZINC000002525876	524012275	/nfs/dbraw/zinc/01/22/75/524012275.db2.gz	SZXAMPXPWBJHAR-UHFFFAOYSA-N	1	0	352.482	3.722	40	30	in-vitro	FHEBRO
CCc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1	ZINC000005393636	570958377	/nfs/dbraw/zinc/95/83/77/570958377.db2.gz	RTGPUQQACOMTTQ-UHFFFAOYSA-N	1	0	358.259	3.674	40	30		FHEBRO
C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21	ZINC000107746133	571318726	/nfs/dbraw/zinc/31/87/26/571318726.db2.gz	GEGNLMGKHDZLLO-HMXCVIKNSA-N	1	0	363.461	3.524	40	30		FHEBRO
C=CC[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O	ZINC000012186504	210140423	/nfs/dbraw/zinc/14/04/23/210140423.db2.gz	RTKCZXNVGGJQIA-UHFFFAOYSA-N	1	0	374.419	3.796	40	30		FHEBRO
C=CCOc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1	ZINC000225730811	222863944	/nfs/dbraw/zinc/86/39/44/222863944.db2.gz	LFNUWRUZYGZFMJ-IRXDYDNUSA-N	1	0	361.555	3.906	40	30		FHEBRO
[NH2+]=C(N=Cc1ccc(Cl)cc1Cl)Nc1nc2ccccc2c(=O)[nH]1	ZINC000018130930	211192671	/nfs/dbraw/zinc/19/26/71/211192671.db2.gz	GBKGKBUVVKSIQK-DNTJNYDQSA-N	1	0	360.204	3.530	40	30		FHEBRO
CN(C)CC(C[NH+](C)C)C(=O)C=Cc1ccc(OCc2ccccc2)cc1	ZINC000001584560	524046703	/nfs/dbraw/zinc/04/67/03/524046703.db2.gz	ZSEBEHIYUDUVEO-NTCAYCPXSA-N	1	0	366.505	3.587	40	30		FHEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2	ZINC000012219339	210140655	/nfs/dbraw/zinc/14/06/55/210140655.db2.gz	JFDOWCHUCJOUET-LIMIJEPZSA-N	1	0	365.448	3.852	40	30		FHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1	ZINC000012219321	210139821	/nfs/dbraw/zinc/13/98/21/210139821.db2.gz	VQGQUXXOHUOLRP-LIMIJEPZSA-N	1	0	365.448	3.852	40	30		FHEBRO
C#CCOc1cccc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c1	ZINC000012188845	210138788	/nfs/dbraw/zinc/13/87/88/210138788.db2.gz	HMCRTSWEMFFAKB-JOCHJYFZSA-N	1	0	353.437	3.711	40	30		FHEBRO
O=C(C[n+]1ccc2ccccc2c1)c1cccc(I)c1	ZINC000003130021	210450278	/nfs/dbraw/zinc/45/02/78/210450278.db2.gz	HGVBTTBAINKUEH-UHFFFAOYSA-N	1	0	374.201	3.615	40	30		FHEBRO
C=C(C)COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000219794912	533518088	/nfs/dbraw/zinc/51/80/88/533518088.db2.gz	ICWKFHICBZCGGN-UHFFFAOYSA-N	1	0	365.477	3.646	40	30		FHEBRO
C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21	ZINC000096054600	222003600	/nfs/dbraw/zinc/00/36/00/222003600.db2.gz	GEGNLMGKHDZLLO-SESVDKBCSA-N	1	0	363.461	3.524	40	30		FHEBRO
CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H]([NH3+])CO[C@H](O)[C@@H](C)O	ZINC000100068166	222234527	/nfs/dbraw/zinc/23/45/27/222234527.db2.gz	GNLNRQZETOCIRZ-YEIHFSJLSA-N	1	0	373.578	3.648	40	30		FHEBRO
CCN(CC)C(=O)C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1	ZINC000001664719	263144406	/nfs/dbraw/zinc/14/44/06/263144406.db2.gz	RPCCQGUBBUAERX-UHFFFAOYSA-N	1	0	369.529	3.737	40	30		FHEBRO
CCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCC1	ZINC000101674238	519964856	/nfs/dbraw/zinc/96/48/56/519964856.db2.gz	FWOBZDGKAIXVGK-LJQANCHMSA-N	1	0	367.554	3.512	40	30		FHEBRO
Cc1c(CCOC(=O)C23C[C@@H]4C[C@@H](CC(C)(C4)C2)C3)sc[n+]1CC#N	ZINC000013301979	525703151	/nfs/dbraw/zinc/70/31/51/525703151.db2.gz	WYESXHHXQSLESP-BANKROOTSA-N	1	0	359.515	3.560	40	30		FHEBRO
CCCCCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	ZINC000105342703	570777105	/nfs/dbraw/zinc/77/71/05/570777105.db2.gz	YSUDIUAQQBJTFR-UHFFFAOYSA-N	1	0	356.894	3.663	40	30		FHEBRO
C=CCOc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000006870254	263348069	/nfs/dbraw/zinc/34/80/69/263348069.db2.gz	BPHLXDNYVPSVHN-UHFFFAOYSA-N	1	0	371.437	3.760	40	30		FHEBRO
CN(C)c1ccc(/C=[NH+]\N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000019790561	522136948	/nfs/dbraw/zinc/13/69/48/522136948.db2.gz	VNUOLMATLPCKQO-JCMHNJIXSA-N	1	0	356.901	3.558	40	30		FHEBRO
C=CC[n+]1c2scc(-c3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O	ZINC000001636448	571124325	/nfs/dbraw/zinc/12/43/25/571124325.db2.gz	UWRZWQSXPDXODB-UHFFFAOYSA-N	1	0	364.406	3.563	40	30		FHEBRO
CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]([NH3+])CO[C@H](O)[C@H](C)O	ZINC000101657396	571310791	/nfs/dbraw/zinc/31/07/91/571310791.db2.gz	GNLNRQZETOCIRZ-HJCKMWEQSA-N	1	0	373.578	3.648	40	30		FHEBRO
C[NH2+]Cc1cc(C)nc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c1C#N	ZINC000408750376	571319395	/nfs/dbraw/zinc/31/93/95/571319395.db2.gz	MBPQQNLVKTXZOY-UHFFFAOYSA-N	1	0	371.447	3.650	40	30		FHEBRO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCCC)C2	ZINC000049171740	221021221	/nfs/dbraw/zinc/02/12/21/221021221.db2.gz	YPVJGDQFKXJQAO-PMACEKPBSA-N	1	0	365.521	3.792	40	30	biogenic,in-vitro	FHEBRO
CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]([NH3+])CO[C@H](O)[C@@H](C)O	ZINC000100068159	222234870	/nfs/dbraw/zinc/23/48/70/222234870.db2.gz	GNLNRQZETOCIRZ-FPTCMKILSA-N	1	0	373.578	3.648	40	30		FHEBRO
O[C@@H](C[NH2+]C1CCCCC1)CO/N=C1\CCSc2c(Cl)cccc21	ZINC000005648348	570632645	/nfs/dbraw/zinc/63/26/45/570632645.db2.gz	QSXLOGLVOHQEID-HGNXGAGXSA-N	1	0	368.930	3.840	40	30		FHEBRO
CN(C)c1cc[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000004902413	570674006	/nfs/dbraw/zinc/67/40/06/570674006.db2.gz	MNBGNEFSBGVZPU-UHFFFAOYSA-O	1	0	359.664	3.639	40	30		FHEBRO
Cc1ccc(S(=O)(=O)OC2CCC([NH2+]Cc3ccccc3)CC2)cc1	ZINC000079436764	571091079	/nfs/dbraw/zinc/09/10/79/571091079.db2.gz	LZQBXVFTJCQCRA-UHFFFAOYSA-N	1	0	359.491	3.801	40	30		FHEBRO
C=CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c1C	ZINC000012344951	571117999	/nfs/dbraw/zinc/11/79/99/571117999.db2.gz	CIENNDMRUBRJLT-WCRBZPEASA-N	1	0	355.457	3.531	40	30		FHEBRO
C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c1	ZINC000012219325	571118028	/nfs/dbraw/zinc/11/80/28/571118028.db2.gz	MILWZOKYKIACDL-TYABSZSSSA-N	1	0	365.448	3.852	40	30		FHEBRO
C[NH+](C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000001624174	524050484	/nfs/dbraw/zinc/05/04/84/524050484.db2.gz	UILSIXHPMXONEE-KBNZVFGVSA-N	1	0	374.484	3.517	40	30		FHEBRO
COc1ccc2c(c1)CC/C(=C\c1ccc(OCC[NH+](C)C)cc1)C2=O	ZINC000001611917	570502947	/nfs/dbraw/zinc/50/29/47/570502947.db2.gz	AHJRMHKPTKWZDQ-NBVRZTHBSA-N	1	0	351.446	3.848	40	30		FHEBRO
C=CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1	ZINC000012345342	571117920	/nfs/dbraw/zinc/11/79/20/571117920.db2.gz	BWWLLJJLWNEWRW-WCRBZPEASA-N	1	0	355.457	3.531	40	30		FHEBRO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21	ZINC000012659612	220017260	/nfs/dbraw/zinc/01/72/60/220017260.db2.gz	JQWISHUBSOEHDO-UNWVZKJWSA-N	1	0	370.513	3.564	40	30		FHEBRO
C=CCc1ccccc1OC[C@H](S)C[NH+]1CCN(c2ccccc2)CC1	ZINC000095532719	132215296	/nfs/dbraw/zinc/21/52/96/132215296.db2.gz	FHCZCQVPVFYMKM-OAQYLSRUSA-N	1	0	368.546	3.915	40	30		FHEBRO
O=[N+]([O-])c1ccc(N=NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000005773463	570635609	/nfs/dbraw/zinc/63/56/09/570635609.db2.gz	SQCYJPMHFIXYGK-UHFFFAOYSA-N	1	0	369.381	3.567	40	30		FHEBRO
CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC	ZINC000001535916	571140415	/nfs/dbraw/zinc/14/04/15/571140415.db2.gz	IDZASIQMRGPBCQ-QGZVFWFLSA-N	1	0	365.477	3.714	40	30	investigational	FHEBRO
C[NH+](C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1	ZINC000017196969	220210335	/nfs/dbraw/zinc/21/03/35/220210335.db2.gz	UILSIXHPMXONEE-YHARCJFQSA-N	1	0	374.484	3.517	40	30		FHEBRO
CN(C)c1ccc(N(O)C=CC=C[N+](=O)c2ccc(N(C)C)cc2)cc1	ZINC000104076406	522251577	/nfs/dbraw/zinc/25/15/77/522251577.db2.gz	DHDBZHMVWRZRPO-VURCQBBJSA-N	1	0	352.438	3.500	40	30		FHEBRO
O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@H]3[C@H]2N1Cc1ccccc1	ZINC000100308855	527039363	/nfs/dbraw/zinc/03/93/63/527039363.db2.gz	CHQOEHPMXSHGCL-VSCPTIONSA-N	1	0	365.522	3.656	40	30	world	FHEBRO
C=CCOc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000225730906	570609679	/nfs/dbraw/zinc/60/96/79/570609679.db2.gz	XXXCBVHMBLNLBU-IRXDYDNUSA-N	1	0	361.555	3.906	40	30		FHEBRO
C=CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC	ZINC000044872160	571210458	/nfs/dbraw/zinc/21/04/58/571210458.db2.gz	KUHFDJNUGUPMRY-UHFFFAOYSA-N	1	0	364.489	3.950	40	30		FHEBRO
C=CC[N@H+]1CCC[C@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)C1	ZINC000019530069	571303927	/nfs/dbraw/zinc/30/39/27/571303927.db2.gz	IKDMKALNULPKOB-IIBYNOLFSA-N	1	0	374.456	3.540	40	30		FHEBRO
C=C(C)C[NH+]1CCN(Cc2ccc(OC)c(Cc3c(C)noc3C)c2)CC1	ZINC000019581018	263374362	/nfs/dbraw/zinc/37/43/62/263374362.db2.gz	VKYWVHRHEAUNCT-UHFFFAOYSA-N	1	0	369.509	3.585	40	30		FHEBRO
COc1ccccc1-c1csc(NC(=O)CN(C)Cc2cccnc2)n1	ZINC000019586575	263374475	/nfs/dbraw/zinc/37/44/75/263374475.db2.gz	HUNJSPZNNASXSJ-UHFFFAOYSA-N	1	0	368.462	3.934	40	30		FHEBRO
CC(N=Nc1ccccc1)[C@@]1(C)N(O)C(C)(C)C(c2cccs2)[N+]1=O	ZINC000007787400	568255949	/nfs/dbraw/zinc/25/59/49/568255949.db2.gz	MRPHNIDGGABMBU-UIMCMNAESA-N	1	0	358.467	3.735	40	30		FHEBRO
N#Cc1ccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1	ZINC000585295227	570506819	/nfs/dbraw/zinc/50/68/19/570506819.db2.gz	QUJISAPOCNPTHQ-HXUWFJFHSA-N	1	0	356.433	3.824	40	30		FHEBRO
C=CCOc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000225730847	570609944	/nfs/dbraw/zinc/60/99/44/570609944.db2.gz	XXXCBVHMBLNLBU-CALCHBBNSA-N	1	0	361.555	3.906	40	30		FHEBRO
C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21)c1ccccc1	ZINC000006623785	571160356	/nfs/dbraw/zinc/16/03/56/571160356.db2.gz	UARIRGJWHKWMHN-NYRDBWPVSA-N	1	0	369.505	3.863	40	30		FHEBRO
CN(C)c1ccc([N+](=O)Cc2ccc(Br)cc2[N+](=O)[O-])cc1	ZINC000036130167	220807069	/nfs/dbraw/zinc/80/70/69/220807069.db2.gz	GUEMGAMTWVTTTQ-VCHYOVAHSA-N	1	0	364.199	3.684	40	30		FHEBRO
CC1CCN(CN2c3ccccc3/C(=N\c3ccc(F)cc3)C2=O)CC1	ZINC000100282198	222240285	/nfs/dbraw/zinc/24/02/85/222240285.db2.gz	BPILFSKGZLGKSU-BSYVCWPDSA-N	1	0	351.425	3.983	40	30		FHEBRO
CC#CCN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O	ZINC000585261329	570480490	/nfs/dbraw/zinc/48/04/90/570480490.db2.gz	JLPYMSCSADXRPQ-WXFUMESZSA-N	1	0	362.517	3.536	40	30		FHEBRO
C[NH+](C)Cc1cc(C(=O)/C=C\c2ccc(F)cc2)cc(C[NH+](C)C)c1[O-]	ZINC000031870599	571056107	/nfs/dbraw/zinc/05/61/07/571056107.db2.gz	FRKYDPHCHJZHHI-YFHOEESVSA-N	1	0	356.441	3.551	40	30		FHEBRO
C=CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1	ZINC000032448487	571151514	/nfs/dbraw/zinc/15/15/14/571151514.db2.gz	ICJVYKFJEVGMLI-UHFFFAOYSA-N	1	0	350.462	3.777	40	30		FHEBRO
N#CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1	ZINC000009063580	571302744	/nfs/dbraw/zinc/30/27/44/571302744.db2.gz	KUYYTEAUXOVOLY-UHFFFAOYSA-N	1	0	351.425	3.742	40	30		FHEBRO
CCCCCCCCCCCCCC[C@@H](O)C[N+](C)(CCO)CCO	ZINC000066166054	221243130	/nfs/dbraw/zinc/24/31/30/221243130.db2.gz	FUJQMAPXIBDMMZ-OAQYLSRUSA-N	1	0	360.603	3.870	40	30		FHEBRO
C=CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1	ZINC000223357976	519091095	/nfs/dbraw/zinc/09/10/95/519091095.db2.gz	WVYWPMGWWFJRTI-UHFFFAOYSA-N	1	0	360.508	3.664	40	30		FHEBRO
O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@@H]3[C@H]2N1Cc1ccccc1	ZINC000100308851	527039739	/nfs/dbraw/zinc/03/97/39/527039739.db2.gz	CHQOEHPMXSHGCL-XCBFCAQUSA-N	1	0	365.522	3.656	40	30	world	FHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1	ZINC000012219319	571117646	/nfs/dbraw/zinc/11/76/46/571117646.db2.gz	PYWSSPWHKQFDSS-TYABSZSSSA-N	1	0	365.448	3.852	40	30		FHEBRO
CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]([NH3+])CO[C@@H](O)[C@@H](C)O	ZINC000263583518	571278064	/nfs/dbraw/zinc/27/80/64/571278064.db2.gz	GNLNRQZETOCIRZ-YMENAJNUSA-N	1	0	373.578	3.648	40	30		FHEBRO