smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O	ZINC000036309427	518752510	/nfs/dbraw/zinc/75/25/10/518752510.db2.gz	IBEXSAVRGXENKK-TZIWHRDSSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O	ZINC000036309427	518752520	/nfs/dbraw/zinc/75/25/20/518752520.db2.gz	IBEXSAVRGXENKK-TZIWHRDSSA-N	1	1	428.598	3.739	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]13)CC2	ZINC000082051638	523033407	/nfs/dbraw/zinc/03/34/07/523033407.db2.gz	RVNNKVFSKICXBT-XEKKGZIOSA-N	1	1	441.568	3.589	50	30	biogenic	IHEAMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Br)s3)CC2)cc1	ZINC000022916706	526649401	/nfs/dbraw/zinc/64/94/01/526649401.db2.gz	DVLBQSJVDNMRCU-UHFFFAOYSA-N	1	1	433.375	3.529	50	30		IHEAMO
O=C(C#Cc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055036840	527663308	/nfs/dbraw/zinc/66/33/08/527663308.db2.gz	UHNLJSBNDMCPKM-QHCPKHFHSA-N	1	1	441.497	3.870	50	30		IHEAMO
Cc1ccc(OCC(=O)ONC(=[NH2+])c2ccc(Br)cc2)c(Br)c1	ZINC000013880368	556325718	/nfs/dbraw/zinc/32/57/18/556325718.db2.gz	HAOFCCBGLKLXEL-UHFFFAOYSA-N	1	1	442.107	3.763	50	30		IHEAMO
C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000032900872	556535038	/nfs/dbraw/zinc/53/50/38/556535038.db2.gz	HHNPPGPJEGHUBY-UYAOXDASSA-N	1	1	434.536	3.958	50	30		IHEAMO
COc1cc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(Br)c1O	ZINC000019791048	556915276	/nfs/dbraw/zinc/91/52/76/556915276.db2.gz	HFAPFPNJQWWPFE-YDZHTSKRSA-N	1	1	432.362	3.932	50	30		IHEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1	ZINC000102708625	557367568	/nfs/dbraw/zinc/36/75/68/557367568.db2.gz	QZBSMSJCJYZMNL-ACZWGRGYSA-N	1	1	433.533	3.868	50	30		IHEAMO
CC(C=Cc1ccc(N(C)C)cc1)=[NH+]NC1=NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1	ZINC000008686823	562962916	/nfs/dbraw/zinc/96/29/16/562962916.db2.gz	LXJDVBHBNQEQDG-HMZMQDNJSA-N	1	1	435.553	3.758	50	30		IHEAMO
COCCN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000014980956	568827620	/nfs/dbraw/zinc/82/76/20/568827620.db2.gz	NPNDCWXUVVVIFG-AREMUKBSSA-N	1	1	446.635	3.748	50	30		IHEAMO
Cc1cccc(CN2CC[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@H]2CCO)n1	ZINC000104557887	568837567	/nfs/dbraw/zinc/83/75/67/568837567.db2.gz	NUEFLBKDAINVCW-MUUNZHRXSA-N	1	1	425.576	3.859	50	30		IHEAMO
Cc1cccc(CN2CC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C[C@H]2CCO)n1	ZINC000104557887	568837568	/nfs/dbraw/zinc/83/75/68/568837568.db2.gz	NUEFLBKDAINVCW-MUUNZHRXSA-N	1	1	425.576	3.859	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169679414	568991120	/nfs/dbraw/zinc/99/11/20/568991120.db2.gz	VJNQDKWAOBBWBM-GMAHTHKFSA-N	1	1	425.960	3.514	50	30		IHEAMO
C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000036389941	569096720	/nfs/dbraw/zinc/09/67/20/569096720.db2.gz	HHNPPGPJEGHUBY-ICSRJNTNSA-N	1	1	434.536	3.958	50	30		IHEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1cccs1	ZINC000020310258	569360129	/nfs/dbraw/zinc/36/01/29/569360129.db2.gz	RLPAWTVALNFNGK-FQEVSTJZSA-N	1	1	444.553	3.773	50	30		IHEAMO
COc1cc(CC/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\O)ccc1O	ZINC000008762727	569474332	/nfs/dbraw/zinc/47/43/32/569474332.db2.gz	PDDZKGZVBBHUEO-FLVDCRJSSA-N	1	1	428.485	3.520	50	30	biogenic	IHEAMO
CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1	ZINC000012712341	519332261	/nfs/dbraw/zinc/33/22/61/519332261.db2.gz	VLDZRHUYYOWQLB-NDEPHWFRSA-N	1	1	430.592	3.980	50	30		IHEAMO
COc1ccc([C@](C#N)(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1OC	ZINC000000627647	555513186	/nfs/dbraw/zinc/51/31/86/555513186.db2.gz	JYGFEJYVHWDDMD-VWLOTQADSA-N	1	1	439.556	3.952	50	30		IHEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1	ZINC000102706348	557366599	/nfs/dbraw/zinc/36/65/99/557366599.db2.gz	LKTCECPFBNJIFW-ZXBXCRBPSA-N	1	1	433.533	3.868	50	30		IHEAMO
CO/[NH+]=C/c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1	ZINC000008617951	562959709	/nfs/dbraw/zinc/95/97/09/562959709.db2.gz	YQFLJMQTMJQNLA-ZMOGYAJESA-N	1	1	436.390	3.556	50	30		IHEAMO
Cc1cc(N2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000225397813	569297173	/nfs/dbraw/zinc/29/71/73/569297173.db2.gz	DJYKJAVHGJHUHE-GOSISDBHSA-N	1	1	428.496	3.943	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312997	518305111	/nfs/dbraw/zinc/30/51/11/518305111.db2.gz	RGAHPJMDZWMMEW-QFIPXVFZSA-N	1	1	449.551	3.938	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312997	518305117	/nfs/dbraw/zinc/30/51/17/518305117.db2.gz	RGAHPJMDZWMMEW-QFIPXVFZSA-N	1	1	449.551	3.938	50	30		IHEAMO
COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2	ZINC000020612410	521884492	/nfs/dbraw/zinc/88/44/92/521884492.db2.gz	YYOWXGPJVVRYIL-GRVPHDJPSA-N	1	1	433.302	3.984	50	30	biogenic	IHEAMO
COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2	ZINC000020612410	521884510	/nfs/dbraw/zinc/88/45/10/521884510.db2.gz	YYOWXGPJVVRYIL-GRVPHDJPSA-N	1	1	433.302	3.984	50	30	biogenic	IHEAMO
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000012916053	525208607	/nfs/dbraw/zinc/20/86/07/525208607.db2.gz	WOCGZUSOIROIBC-FQEVSTJZSA-N	1	1	446.595	3.709	50	30		IHEAMO
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000012916053	525208609	/nfs/dbraw/zinc/20/86/09/525208609.db2.gz	WOCGZUSOIROIBC-FQEVSTJZSA-N	1	1	446.595	3.709	50	30		IHEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCOC)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C	ZINC000583648158	557241230	/nfs/dbraw/zinc/24/12/30/557241230.db2.gz	PJYXOKZJPVWOKW-VWNXMTODSA-N	1	1	430.637	3.748	50	30	biogenic	IHEAMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1	ZINC000019938585	563023258	/nfs/dbraw/zinc/02/32/58/563023258.db2.gz	VFJLWYJYPAVCLE-QFIPXVFZSA-N	1	1	430.976	3.635	50	30		IHEAMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321289	/nfs/dbraw/zinc/32/12/89/569321289.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	1	1	434.559	3.786	50	30		IHEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321290	/nfs/dbraw/zinc/32/12/90/569321290.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	1	1	434.559	3.786	50	30		IHEAMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1	ZINC000040033595	569483155	/nfs/dbraw/zinc/48/31/55/569483155.db2.gz	IFKORXKDEDDHKS-UHFFFAOYSA-N	1	1	432.446	3.603	50	30		IHEAMO
C=C[C@](C)(O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245328877	569504088	/nfs/dbraw/zinc/50/40/88/569504088.db2.gz	QLQLDVPQXKMHLO-RDGATRHJSA-N	1	1	440.609	3.902	50	30		IHEAMO
C=C(C)COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@@H+]3CC)c(C)c2cc1Cl	ZINC000009302798	569520886	/nfs/dbraw/zinc/52/08/86/569520886.db2.gz	DBTXHKCZHNMONH-INIZCTEOSA-N	1	1	432.948	3.853	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CCCCC1	ZINC000036161521	123242810	/nfs/dbraw/zinc/24/28/10/123242810.db2.gz	GBHOICHOTZDMIM-WMZOPIPTSA-N	1	1	445.629	3.808	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312996	518313391	/nfs/dbraw/zinc/31/33/91/518313391.db2.gz	RGAHPJMDZWMMEW-JOCHJYFZSA-N	1	1	449.551	3.938	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312996	518313397	/nfs/dbraw/zinc/31/33/97/518313397.db2.gz	RGAHPJMDZWMMEW-JOCHJYFZSA-N	1	1	449.551	3.938	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000253501866	518469089	/nfs/dbraw/zinc/46/90/89/518469089.db2.gz	GVQQNLKRJFAPTL-SVPFNEHOSA-O	1	1	425.593	3.814	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146714	518987724	/nfs/dbraw/zinc/98/77/24/518987724.db2.gz	NEMTYWWOLSADLA-GMAHTHKFSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C	ZINC000036249930	518993494	/nfs/dbraw/zinc/99/34/94/518993494.db2.gz	UPFNJCXHIHCPPJ-OAQYLSRUSA-N	1	1	445.629	3.916	50	30		IHEAMO
CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1	ZINC000012712338	519331462	/nfs/dbraw/zinc/33/14/62/519331462.db2.gz	VLDZRHUYYOWQLB-MUUNZHRXSA-N	1	1	430.592	3.980	50	30		IHEAMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000012772621	526168282	/nfs/dbraw/zinc/16/82/82/526168282.db2.gz	LGPNHQIRMIDGJT-UHFFFAOYSA-N	1	1	429.318	3.528	50	30		IHEAMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000012772621	526168290	/nfs/dbraw/zinc/16/82/90/526168290.db2.gz	LGPNHQIRMIDGJT-UHFFFAOYSA-N	1	1	429.318	3.528	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1cccc3ccccc31)C2	ZINC000014543120	568826420	/nfs/dbraw/zinc/82/64/20/568826420.db2.gz	VVTIRBQSIFHLCJ-QFIPXVFZSA-N	1	1	444.579	3.684	50	30		IHEAMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccc(F)cc1	ZINC000013057322	569308407	/nfs/dbraw/zinc/30/84/07/569308407.db2.gz	YYWKWGWSYZSKOP-UHFFFAOYSA-N	1	1	428.533	3.927	50	30		IHEAMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccc(F)cc1	ZINC000013057322	569308408	/nfs/dbraw/zinc/30/84/08/569308408.db2.gz	YYWKWGWSYZSKOP-UHFFFAOYSA-N	1	1	428.533	3.927	50	30		IHEAMO
C=CCc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1	ZINC000019901740	569331845	/nfs/dbraw/zinc/33/18/45/569331845.db2.gz	AZDGVFOEIHSGGO-NRFANRHFSA-N	1	1	430.976	3.947	50	30		IHEAMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)cc1	ZINC000057432156	569435041	/nfs/dbraw/zinc/43/50/41/569435041.db2.gz	IGZBZVXPWIRYCO-UHFFFAOYSA-N	1	1	443.551	3.650	50	30		IHEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)cc1	ZINC000057432156	569435042	/nfs/dbraw/zinc/43/50/42/569435042.db2.gz	IGZBZVXPWIRYCO-UHFFFAOYSA-N	1	1	443.551	3.650	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1	ZINC000036308228	518310795	/nfs/dbraw/zinc/31/07/95/518310795.db2.gz	ZTHFWHYVGGFGAK-JOCHJYFZSA-N	1	1	431.536	3.855	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000035871879	518931187	/nfs/dbraw/zinc/93/11/87/518931187.db2.gz	WJGAHMDPFUBGAF-RBBKRZOGSA-N	1	1	429.486	3.871	50	30		IHEAMO
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000021406491	525213003	/nfs/dbraw/zinc/21/30/03/525213003.db2.gz	GHQCYFMYBMMTRO-XMMPIXPASA-N	1	1	429.524	3.742	50	30		IHEAMO
[NH2+]=C(NOC(=O)c1ccc(I)cc1)c1ccc(Br)cc1	ZINC000012655362	526809935	/nfs/dbraw/zinc/80/99/35/526809935.db2.gz	QBHPEBWQLUJTHM-UHFFFAOYSA-N	1	1	445.054	3.531	50	30		IHEAMO
C[N@@H+](CCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)Cc1ccccc1	ZINC000032766124	556332938	/nfs/dbraw/zinc/33/29/38/556332938.db2.gz	VNJSRDAGPNFTRX-UHFFFAOYSA-N	1	1	447.539	3.661	50	30		IHEAMO
O=c1[nH]c(-[n+]2cccc(Cc3ccccc3)c2)c(C=NNC(=S)Nc2ccccc2)s1	ZINC000013816773	556744096	/nfs/dbraw/zinc/74/40/96/556744096.db2.gz	QEMZCVDVERXBFO-UHFFFAOYSA-O	1	1	446.581	3.624	50	30		IHEAMO
COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)cc1OC	ZINC000019745450	568855097	/nfs/dbraw/zinc/85/50/97/568855097.db2.gz	HXPJQJGROQUKIT-VWLOTQADSA-N	1	1	436.596	3.577	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)CC	ZINC000169681288	568883493	/nfs/dbraw/zinc/88/34/93/568883493.db2.gz	YBRISFZQVQCDHA-AZUAARDMSA-N	1	1	444.597	3.520	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)CC	ZINC000169681288	568883495	/nfs/dbraw/zinc/88/34/95/568883495.db2.gz	YBRISFZQVQCDHA-AZUAARDMSA-N	1	1	444.597	3.520	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@H]13)CC2	ZINC000012885202	569305064	/nfs/dbraw/zinc/30/50/64/569305064.db2.gz	RVNNKVFSKICXBT-ZUDIGSLISA-N	1	1	441.568	3.589	50	30	biogenic	IHEAMO
CO/[NH+]=C\c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000020219039	569356834	/nfs/dbraw/zinc/35/68/34/569356834.db2.gz	KKZTWKJXSYMYEG-VROXFSQNSA-N	1	1	443.813	3.969	50	30		IHEAMO
N#Cc1ccc(C[NH+]2CCC(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)CC2)s1	ZINC000245039115	569497013	/nfs/dbraw/zinc/49/70/13/569497013.db2.gz	OFUPALWUAGDTOJ-UHFFFAOYSA-N	1	1	435.519	3.820	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1	ZINC000036308225	518300634	/nfs/dbraw/zinc/30/06/34/518300634.db2.gz	ZTHFWHYVGGFGAK-QFIPXVFZSA-N	1	1	431.536	3.855	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208306	518313642	/nfs/dbraw/zinc/31/36/42/518313642.db2.gz	WKOYTEUUYXABAG-OAQYLSRUSA-N	1	1	437.540	3.794	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208306	518313648	/nfs/dbraw/zinc/31/36/48/518313648.db2.gz	WKOYTEUUYXABAG-OAQYLSRUSA-N	1	1	437.540	3.794	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccco1	ZINC000036147850	518991754	/nfs/dbraw/zinc/99/17/54/518991754.db2.gz	ZKNIZYFLCNKPHY-GOSISDBHSA-N	1	1	431.920	3.900	50	30		IHEAMO
C=CCOc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1	ZINC000012802864	519032703	/nfs/dbraw/zinc/03/27/03/519032703.db2.gz	DXXNRJZCNZGVNK-HXUWFJFHSA-N	1	1	447.457	3.990	50	30		IHEAMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1	ZINC000012802864	519032710	/nfs/dbraw/zinc/03/27/10/519032710.db2.gz	DXXNRJZCNZGVNK-HXUWFJFHSA-N	1	1	447.457	3.990	50	30		IHEAMO
COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2	ZINC000020612408	521888688	/nfs/dbraw/zinc/88/86/88/521888688.db2.gz	YYOWXGPJVVRYIL-AABCQZNVSA-N	1	1	433.302	3.984	50	30	biogenic	IHEAMO
COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2	ZINC000020612408	521888692	/nfs/dbraw/zinc/88/86/92/521888692.db2.gz	YYOWXGPJVVRYIL-AABCQZNVSA-N	1	1	433.302	3.984	50	30	biogenic	IHEAMO
C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000032900871	556534970	/nfs/dbraw/zinc/53/49/70/556534970.db2.gz	HHNPPGPJEGHUBY-AZUAARDMSA-N	1	1	434.536	3.958	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1	ZINC000104982852	568839182	/nfs/dbraw/zinc/83/91/82/568839182.db2.gz	XRJBRVYGYMNUSF-FGZHOGPDSA-N	1	1	426.944	3.654	50	30		IHEAMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321346	/nfs/dbraw/zinc/32/13/46/569321346.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	1	1	434.559	3.786	50	30		IHEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321348	/nfs/dbraw/zinc/32/13/48/569321348.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	1	1	434.559	3.786	50	30		IHEAMO
N#Cc1c2c(c(NCc3ccccc3)nc1N1CCOCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000013510768	132349098	/nfs/dbraw/zinc/34/90/98/132349098.db2.gz	BEFLRHXESRIGIB-UHFFFAOYSA-N	1	1	439.563	3.960	50	30		IHEAMO
N#Cc1c2c(c(NCc3ccccc3)nc1N1CCOCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000013510768	132349100	/nfs/dbraw/zinc/34/91/00/132349100.db2.gz	BEFLRHXESRIGIB-UHFFFAOYSA-N	1	1	439.563	3.960	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308491	518311392	/nfs/dbraw/zinc/31/13/92/518311392.db2.gz	YVFOHZPDXSAPIC-HSZRJFAPSA-N	1	1	431.536	3.948	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308491	518311396	/nfs/dbraw/zinc/31/13/96/518311396.db2.gz	YVFOHZPDXSAPIC-HSZRJFAPSA-N	1	1	431.536	3.948	50	30		IHEAMO
C=CCOc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1	ZINC000012802868	519033035	/nfs/dbraw/zinc/03/30/35/519033035.db2.gz	DXXNRJZCNZGVNK-FQEVSTJZSA-N	1	1	447.457	3.990	50	30		IHEAMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1	ZINC000012802868	519033040	/nfs/dbraw/zinc/03/30/40/519033040.db2.gz	DXXNRJZCNZGVNK-FQEVSTJZSA-N	1	1	447.457	3.990	50	30		IHEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000018198732	557250248	/nfs/dbraw/zinc/25/02/48/557250248.db2.gz	OAFBCKAQXNVQFU-JOCHJYFZSA-N	1	1	447.491	3.569	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)CC	ZINC000169680168	568990776	/nfs/dbraw/zinc/99/07/76/568990776.db2.gz	SUVIHMKFFZCIQS-SIKLNZKXSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)CC	ZINC000169680168	568990778	/nfs/dbraw/zinc/99/07/78/568990778.db2.gz	SUVIHMKFFZCIQS-SIKLNZKXSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12	ZINC000169679277	568990850	/nfs/dbraw/zinc/99/08/50/568990850.db2.gz	LHIMMLBBKMPFKV-GGAORHGYSA-N	1	1	443.513	3.913	50	30		IHEAMO
CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000225733777	569407714	/nfs/dbraw/zinc/40/77/14/569407714.db2.gz	ZLESLQFNWVOQAY-FCHUYYIVSA-N	1	1	434.540	3.880	50	30		IHEAMO
C[C@H](CC(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000012368829	526252806	/nfs/dbraw/zinc/25/28/06/526252806.db2.gz	MHPJZIAMXBAGSP-LLVKDONJSA-N	1	1	448.850	3.775	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000169678942	568990378	/nfs/dbraw/zinc/99/03/78/568990378.db2.gz	WJGAHMDPFUBGAF-IRLDBZIGSA-N	1	1	429.486	3.871	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253501869	569283510	/nfs/dbraw/zinc/28/35/10/569283510.db2.gz	GVQQNLKRJFAPTL-YHPYYJOOSA-O	1	1	425.593	3.814	50	30	biogenic	IHEAMO
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009070578	569500125	/nfs/dbraw/zinc/50/01/25/569500125.db2.gz	YAFIXOHEFZYUAX-JOCHJYFZSA-N	1	1	431.492	3.950	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)CC	ZINC000036309358	518752344	/nfs/dbraw/zinc/75/23/44/518752344.db2.gz	YBRISFZQVQCDHA-QUCCMNQESA-N	1	1	444.597	3.520	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)CC	ZINC000036309358	518752350	/nfs/dbraw/zinc/75/23/50/518752350.db2.gz	YBRISFZQVQCDHA-QUCCMNQESA-N	1	1	444.597	3.520	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313027	518991780	/nfs/dbraw/zinc/99/17/80/518991780.db2.gz	KEVMWGWPMNVMEW-JOCHJYFZSA-N	1	1	443.588	3.734	50	30		IHEAMO
CC(C)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)C1CCCCC1	ZINC000058195526	519636365	/nfs/dbraw/zinc/63/63/65/519636365.db2.gz	OJQFRFLPZFDBIS-UHFFFAOYSA-N	1	1	448.633	3.919	50	30		IHEAMO
CC(C)[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)C1CCCCC1	ZINC000058195526	519636367	/nfs/dbraw/zinc/63/63/67/519636367.db2.gz	OJQFRFLPZFDBIS-UHFFFAOYSA-N	1	1	448.633	3.919	50	30		IHEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCOC)C[C@H]2CCC[N@H+]3CCCC[C@H]23)c1C	ZINC000583648156	557241315	/nfs/dbraw/zinc/24/13/15/557241315.db2.gz	PJYXOKZJPVWOKW-ISKFKSNPSA-N	1	1	430.637	3.748	50	30	biogenic	IHEAMO
O=C1C(=NNc2ccccc2F)c2ccccc2N1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000100183928	557352565	/nfs/dbraw/zinc/35/25/65/557352565.db2.gz	ICEKHUMWPQWXTE-XLVZBRSZSA-N	1	1	443.526	3.764	50	30		IHEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1	ZINC000102706347	557366569	/nfs/dbraw/zinc/36/65/69/557366569.db2.gz	LKTCECPFBNJIFW-UMBYXPAUSA-N	1	1	433.533	3.868	50	30		IHEAMO
C=CCn1c(Cc2ccccc2)nnc1SCc1cccc(C(=O)N2CC[NH+](C)CC2)c1	ZINC000085409393	568817840	/nfs/dbraw/zinc/81/78/40/568817840.db2.gz	VJLUPPOGSQQHIR-UHFFFAOYSA-N	1	1	447.608	3.735	50	30		IHEAMO
COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)cc1OC	ZINC000019745448	568855127	/nfs/dbraw/zinc/85/51/27/568855127.db2.gz	HXPJQJGROQUKIT-RUZDIDTESA-N	1	1	436.596	3.577	50	30		IHEAMO
Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)CC1	ZINC000020385566	568855847	/nfs/dbraw/zinc/85/58/47/568855847.db2.gz	HAYCHBOPPMOQNU-SANMLTNESA-N	1	1	431.624	3.904	50	30		IHEAMO
Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)CC1	ZINC000020385566	568855849	/nfs/dbraw/zinc/85/58/49/568855849.db2.gz	HAYCHBOPPMOQNU-SANMLTNESA-N	1	1	431.624	3.904	50	30		IHEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1cccs1	ZINC000020310262	569360064	/nfs/dbraw/zinc/36/00/64/569360064.db2.gz	RLPAWTVALNFNGK-HXUWFJFHSA-N	1	1	444.553	3.773	50	30		IHEAMO
N#Cc1ccnc(Nc2cc(C3CC[NH+](C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1	ZINC000207101276	569584469	/nfs/dbraw/zinc/58/44/69/569584469.db2.gz	RHFIAUKMKYHHFA-UHFFFAOYSA-N	1	1	440.498	3.515	50	30	in-vitro	IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1	ZINC000036161518	123242885	/nfs/dbraw/zinc/24/28/85/123242885.db2.gz	GBHOICHOTZDMIM-AEFFLSMTSA-N	1	1	445.629	3.808	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1	ZINC000036307136	518301136	/nfs/dbraw/zinc/30/11/36/518301136.db2.gz	WRIWJUUKLWHCCQ-QFIPXVFZSA-N	1	1	449.526	3.994	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O	ZINC000036309428	518748809	/nfs/dbraw/zinc/74/88/09/518748809.db2.gz	IBEXSAVRGXENKK-CTNGQTDRSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O	ZINC000036309428	518748817	/nfs/dbraw/zinc/74/88/17/518748817.db2.gz	IBEXSAVRGXENKK-CTNGQTDRSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12	ZINC000035871974	518930797	/nfs/dbraw/zinc/93/07/97/518930797.db2.gz	LHIMMLBBKMPFKV-JTHBVZDNSA-N	1	1	443.513	3.913	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)s1	ZINC000012430323	519331042	/nfs/dbraw/zinc/33/10/42/519331042.db2.gz	IERODDQSPCVRDK-SFHVURJKSA-N	1	1	435.593	3.994	50	30		IHEAMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000012891361	526741604	/nfs/dbraw/zinc/74/16/04/526741604.db2.gz	NUKKKTQIIHTQJU-UHFFFAOYSA-N	1	1	437.853	3.776	50	30		IHEAMO
CO/[NH+]=C/c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000008667153	562960608	/nfs/dbraw/zinc/96/06/08/562960608.db2.gz	NAZXPGOWNUINLU-WSDLNYQXSA-N	1	1	437.283	3.844	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000169678860	568990190	/nfs/dbraw/zinc/99/01/90/568990190.db2.gz	NEMTYWWOLSADLA-GGAORHGYSA-N	1	1	444.959	3.907	50	30		IHEAMO
N#Cc1ccc(C[NH+]2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)s1	ZINC000245187568	569498205	/nfs/dbraw/zinc/49/82/05/569498205.db2.gz	ZOQLCSNWZPMSBW-UHFFFAOYSA-N	1	1	435.519	3.820	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)CC	ZINC000036309177	518749284	/nfs/dbraw/zinc/74/92/84/518749284.db2.gz	MJWOHKGOMUXBCG-UGKGYDQZSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)CC	ZINC000036309177	518749290	/nfs/dbraw/zinc/74/92/90/518749290.db2.gz	MJWOHKGOMUXBCG-UGKGYDQZSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)CC	ZINC000036309178	518749609	/nfs/dbraw/zinc/74/96/09/518749609.db2.gz	MJWOHKGOMUXBCG-KNQAVFIVSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)CC	ZINC000036309178	518749613	/nfs/dbraw/zinc/74/96/13/518749613.db2.gz	MJWOHKGOMUXBCG-KNQAVFIVSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C	ZINC000036249929	518986890	/nfs/dbraw/zinc/98/68/90/518986890.db2.gz	UPFNJCXHIHCPPJ-NRFANRHFSA-N	1	1	445.629	3.916	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147031	518988475	/nfs/dbraw/zinc/98/84/75/518988475.db2.gz	YBBZWKMKJLGMEF-UNMCSNQZSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147031	518988481	/nfs/dbraw/zinc/98/84/81/518988481.db2.gz	YBBZWKMKJLGMEF-UNMCSNQZSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1	ZINC000055091174	519053485	/nfs/dbraw/zinc/05/34/85/519053485.db2.gz	ZTBKRIYKJCCPBZ-QFIPXVFZSA-N	1	1	435.568	3.687	50	30		IHEAMO
C=CCn1c(SCc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)nnc1-c1ccco1	ZINC000037398103	519238212	/nfs/dbraw/zinc/23/82/12/519238212.db2.gz	OGHCGWZFBCQUGC-UHFFFAOYSA-N	1	1	437.569	3.794	50	30		IHEAMO
Cc1cc(OCC(=O)ONC(=[NH2+])c2ccc(OC(F)(F)F)cc2)ccc1Br	ZINC000013609878	525367472	/nfs/dbraw/zinc/36/74/72/525367472.db2.gz	SFALYJCVYKTTPT-UHFFFAOYSA-N	1	1	447.207	3.899	50	30		IHEAMO
Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1C	ZINC000029121277	556467844	/nfs/dbraw/zinc/46/78/44/556467844.db2.gz	KAHCYUQJSPPFCU-UHFFFAOYSA-N	1	1	434.540	3.606	50	30		IHEAMO
N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000023153902	557029197	/nfs/dbraw/zinc/02/91/97/557029197.db2.gz	MPBMXSPMZOBKRI-OAQYLSRUSA-N	1	1	431.517	3.957	50	30		IHEAMO
N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000023153902	557029201	/nfs/dbraw/zinc/02/92/01/557029201.db2.gz	MPBMXSPMZOBKRI-OAQYLSRUSA-N	1	1	431.517	3.957	50	30		IHEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102806378	557387145	/nfs/dbraw/zinc/38/71/45/557387145.db2.gz	GQGMUXBGOPMTMB-MOBKVPTQSA-N	1	1	431.492	3.712	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000104916960	557465219	/nfs/dbraw/zinc/46/52/19/557465219.db2.gz	VJNQDKWAOBBWBM-JTHBVZDNSA-N	1	1	425.960	3.514	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CCCCC1	ZINC000104987727	568623578	/nfs/dbraw/zinc/62/35/78/568623578.db2.gz	GBHOICHOTZDMIM-FUHWJXTLSA-N	1	1	445.629	3.808	50	30		IHEAMO
COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)cc1OC	ZINC000014978191	568827687	/nfs/dbraw/zinc/82/76/87/568827687.db2.gz	DQGXLLTZTFDVFH-GOSISDBHSA-N	1	1	427.566	3.983	50	30		IHEAMO
CC(C)NC(=O)Nc1cccc(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000089885280	569166705	/nfs/dbraw/zinc/16/67/05/569166705.db2.gz	GDKSDGOGOPFAOY-UHFFFAOYSA-N	1	1	449.551	3.647	50	30		IHEAMO
C=CCOc1ccccc1C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)C	ZINC000012246466	519070384	/nfs/dbraw/zinc/07/03/84/519070384.db2.gz	ZUJIYAYLLDJREM-NQIIRXRSSA-N	1	1	436.581	3.951	50	30		IHEAMO
C=CCOc1ccccc1C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)C	ZINC000012246466	519070388	/nfs/dbraw/zinc/07/03/88/519070388.db2.gz	ZUJIYAYLLDJREM-NQIIRXRSSA-N	1	1	436.581	3.951	50	30		IHEAMO
[NH2+]=C(NOC(=O)c1ccc(I)cc1)c1cccc(Br)c1	ZINC000012655349	526810465	/nfs/dbraw/zinc/81/04/65/526810465.db2.gz	IVOSESLTJOHDQP-UHFFFAOYSA-N	1	1	445.054	3.531	50	30		IHEAMO
Cn1ccnc1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761408	527441804	/nfs/dbraw/zinc/44/18/04/527441804.db2.gz	HCUIHPZPPUNMBG-KRWDZBQOSA-N	1	1	425.602	3.905	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O	ZINC000105002736	568838788	/nfs/dbraw/zinc/83/87/88/568838788.db2.gz	IBEXSAVRGXENKK-PZJWPPBQSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O	ZINC000105002736	568838789	/nfs/dbraw/zinc/83/87/89/568838789.db2.gz	IBEXSAVRGXENKK-PZJWPPBQSA-N	1	1	428.598	3.739	50	30		IHEAMO
Cc1ccc[n+](CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc2)c1	ZINC000104263933	568843738	/nfs/dbraw/zinc/84/37/38/568843738.db2.gz	KUDZHCHKEMEYQN-ZBJSNUHESA-N	1	1	437.392	3.524	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12	ZINC000169679278	568990812	/nfs/dbraw/zinc/99/08/12/568990812.db2.gz	LHIMMLBBKMPFKV-GMAHTHKFSA-N	1	1	443.513	3.913	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253531140	569283876	/nfs/dbraw/zinc/28/38/76/569283876.db2.gz	GVQQNLKRJFAPTL-HERONVKTSA-O	1	1	425.593	3.814	50	30	biogenic	IHEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c(O)c1	ZINC000020309689	569359909	/nfs/dbraw/zinc/35/99/09/569359909.db2.gz	OWSGWCJFPJTAMQ-HXUWFJFHSA-N	1	1	444.915	3.584	50	30		IHEAMO
COc1cc2c(cc1O)CC[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]13)[C@@H]2C	ZINC000230011814	569417492	/nfs/dbraw/zinc/41/74/92/569417492.db2.gz	LKNRIAFOBSDUTE-PNDTVERISA-N	1	1	441.568	3.847	50	30	biogenic	IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)CC	ZINC000036309014	518750319	/nfs/dbraw/zinc/75/03/19/518750319.db2.gz	SUVIHMKFFZCIQS-KNQAVFIVSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)CC	ZINC000036309014	518750330	/nfs/dbraw/zinc/75/03/30/518750330.db2.gz	SUVIHMKFFZCIQS-KNQAVFIVSA-N	1	1	428.598	3.820	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]13)CC2	ZINC000012659926	523032082	/nfs/dbraw/zinc/03/20/82/523032082.db2.gz	YZFORQMYRJBQOB-CNRXHOAUSA-N	1	1	441.568	3.587	50	30	biogenic	IHEAMO
OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012714507	527625301	/nfs/dbraw/zinc/62/53/01/527625301.db2.gz	AYQBOGHTCCIRGL-SANMLTNESA-N	1	1	433.502	3.972	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000012660452	568774402	/nfs/dbraw/zinc/77/44/02/568774402.db2.gz	GVQQNLKRJFAPTL-AAKZFQPTSA-O	1	1	425.593	3.814	50	30	biogenic	IHEAMO
C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc2c1	ZINC000079191236	569328144	/nfs/dbraw/zinc/32/81/44/569328144.db2.gz	CCIXHTCLPUWKSS-WMZHIEFXSA-N	1	1	438.568	3.980	50	30	biogenic	IHEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@H]1c1ccc(Cl)cc1	ZINC000020310654	569360009	/nfs/dbraw/zinc/36/00/09/569360009.db2.gz	HNFFFOARVXNNTJ-HXUWFJFHSA-N	1	1	428.916	3.966	50	30		IHEAMO
C=CCn1c(SCc2ccccc2C(=O)N2CC[NH+](CC)CC2)nnc1-c1cccnc1	ZINC000096289918	569390801	/nfs/dbraw/zinc/39/08/01/569390801.db2.gz	VXBZYSOYQSIVCK-UHFFFAOYSA-N	1	1	448.596	3.596	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308488	518303597	/nfs/dbraw/zinc/30/35/97/518303597.db2.gz	YVFOHZPDXSAPIC-QHCPKHFHSA-N	1	1	431.536	3.948	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308488	518303603	/nfs/dbraw/zinc/30/36/03/518303603.db2.gz	YVFOHZPDXSAPIC-QHCPKHFHSA-N	1	1	431.536	3.948	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147034	518988780	/nfs/dbraw/zinc/98/87/80/518988780.db2.gz	YBBZWKMKJLGMEF-RBBKRZOGSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000036147034	518988782	/nfs/dbraw/zinc/98/87/82/518988782.db2.gz	YBBZWKMKJLGMEF-RBBKRZOGSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249960	518991303	/nfs/dbraw/zinc/99/13/03/518991303.db2.gz	GGPZXTKXZKRLKY-HXUWFJFHSA-N	1	1	431.602	3.670	50	30		IHEAMO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000012716625	519070709	/nfs/dbraw/zinc/07/07/09/519070709.db2.gz	QAEXFZTWDIQVNH-HSZRJFAPSA-N	1	1	448.611	3.987	50	30		IHEAMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1	ZINC000024991755	557829950	/nfs/dbraw/zinc/82/99/50/557829950.db2.gz	ATEQIFSZKQCSKB-UHFFFAOYSA-N	1	1	433.375	3.529	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O	ZINC000105002732	568838711	/nfs/dbraw/zinc/83/87/11/568838711.db2.gz	IBEXSAVRGXENKK-FPOVZHCZSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O	ZINC000105002732	568838713	/nfs/dbraw/zinc/83/87/13/568838713.db2.gz	IBEXSAVRGXENKK-FPOVZHCZSA-N	1	1	428.598	3.739	50	30		IHEAMO
C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000169678943	568990238	/nfs/dbraw/zinc/99/02/38/568990238.db2.gz	WJGAHMDPFUBGAF-UNMCSNQZSA-N	1	1	429.486	3.871	50	30		IHEAMO
CC1CCC(OCC(=O)NC[C@@H]2C[C@@H](OC(=O)COC3CCC(C)CC3)C[N@@H+]2C)CC1	ZINC000328598532	569318140	/nfs/dbraw/zinc/31/81/40/569318140.db2.gz	MRDYADSHFVPZBF-ZOXPEZPYSA-N	1	1	438.609	3.749	50	30		IHEAMO
CC1CCC(OCC(=O)NC[C@@H]2C[C@@H](OC(=O)COC3CCC(C)CC3)C[N@H+]2C)CC1	ZINC000328598532	569318141	/nfs/dbraw/zinc/31/81/41/569318141.db2.gz	MRDYADSHFVPZBF-ZOXPEZPYSA-N	1	1	438.609	3.749	50	30		IHEAMO
COc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC	ZINC000020111947	569334596	/nfs/dbraw/zinc/33/45/96/569334596.db2.gz	WYNCIRMCPKRBFJ-FZMUQLTDSA-N	1	1	425.481	3.643	50	30	biogenic	IHEAMO
COc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC	ZINC000020111947	569334597	/nfs/dbraw/zinc/33/45/97/569334597.db2.gz	WYNCIRMCPKRBFJ-FZMUQLTDSA-N	1	1	425.481	3.643	50	30	biogenic	IHEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1	ZINC000036145930	518301979	/nfs/dbraw/zinc/30/19/79/518301979.db2.gz	XRJBRVYGYMNUSF-VXKWHMMOSA-N	1	1	426.944	3.654	50	30		IHEAMO
CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012592468	521181416	/nfs/dbraw/zinc/18/14/16/521181416.db2.gz	OEZZOSIZMKITRX-HHHXNRCGSA-N	1	1	435.564	3.817	50	30		IHEAMO
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)nc1	ZINC000072308198	525221301	/nfs/dbraw/zinc/22/13/01/525221301.db2.gz	YCTKOZITFUANDG-IBGZPJMESA-N	1	1	429.524	3.792	50	30		IHEAMO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)nc1	ZINC000072308198	525221310	/nfs/dbraw/zinc/22/13/10/525221310.db2.gz	YCTKOZITFUANDG-IBGZPJMESA-N	1	1	429.524	3.792	50	30		IHEAMO
C[NH+]1CCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)CC1	ZINC000033324483	557106373	/nfs/dbraw/zinc/10/63/73/557106373.db2.gz	UMLNFFSUTZRITF-UHFFFAOYSA-N	1	1	443.301	3.900	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000169679664	568991019	/nfs/dbraw/zinc/99/10/19/568991019.db2.gz	YBBZWKMKJLGMEF-IRLDBZIGSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000169679664	568991020	/nfs/dbraw/zinc/99/10/20/568991020.db2.gz	YBBZWKMKJLGMEF-IRLDBZIGSA-N	1	1	444.959	3.907	50	30		IHEAMO
OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012714502	527599905	/nfs/dbraw/zinc/59/99/05/527599905.db2.gz	AYQBOGHTCCIRGL-AREMUKBSSA-N	1	1	433.502	3.972	50	30		IHEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1	ZINC000102709974	557367966	/nfs/dbraw/zinc/36/79/66/557367966.db2.gz	QZBSMSJCJYZMNL-ZXBXCRBPSA-N	1	1	433.533	3.868	50	30		IHEAMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000025393381	568656323	/nfs/dbraw/zinc/65/63/23/568656323.db2.gz	UARQIMHNCSELIR-UHFFFAOYSA-N	1	1	435.347	3.590	50	30		IHEAMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000025393381	568656324	/nfs/dbraw/zinc/65/63/24/568656324.db2.gz	UARQIMHNCSELIR-UHFFFAOYSA-N	1	1	435.347	3.590	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253501864	569283596	/nfs/dbraw/zinc/28/35/96/569283596.db2.gz	GVQQNLKRJFAPTL-BXXYZRSRSA-O	1	1	425.593	3.814	50	30	biogenic	IHEAMO
Cc1cc(Br)ccc1OCC(=O)ONC(=[NH2+])c1ccc(Br)cc1	ZINC000008768488	569474915	/nfs/dbraw/zinc/47/49/15/569474915.db2.gz	HETHQFDQPQUMPO-UHFFFAOYSA-N	1	1	442.107	3.763	50	30		IHEAMO
CCOc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OCC	ZINC000040033597	569483162	/nfs/dbraw/zinc/48/31/62/569483162.db2.gz	STWSQCXEIFUBNZ-UHFFFAOYSA-N	1	1	436.556	3.502	50	30		IHEAMO
C=CCOc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1	ZINC000055091169	519051644	/nfs/dbraw/zinc/05/16/44/519051644.db2.gz	ZTBKRIYKJCCPBZ-JOCHJYFZSA-N	1	1	435.568	3.687	50	30		IHEAMO
C=CCc1cc(OCC)cc(C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1O	ZINC000040149264	519134372	/nfs/dbraw/zinc/13/43/72/519134372.db2.gz	LGUFNBLSVLYIDP-UHFFFAOYSA-N	1	1	437.584	3.893	50	30		IHEAMO
N#CCCN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1cccc(Cl)c1	ZINC000012767179	526447930	/nfs/dbraw/zinc/44/79/30/526447930.db2.gz	FAVDMQUSBVZHPR-UHFFFAOYSA-N	1	1	440.931	3.643	50	30		IHEAMO
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCC[NH2+]CCO)[C@@H]1c1ccc(Cl)cc1	ZINC000012429087	527671241	/nfs/dbraw/zinc/67/12/41/527671241.db2.gz	WOPLFAPVKRXJGJ-LJQANCHMSA-N	1	1	449.334	3.544	50	30		IHEAMO
Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)CC1	ZINC000020385559	568855925	/nfs/dbraw/zinc/85/59/25/568855925.db2.gz	HAYCHBOPPMOQNU-AREMUKBSSA-N	1	1	431.624	3.904	50	30		IHEAMO
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)CC1	ZINC000020385559	568855929	/nfs/dbraw/zinc/85/59/29/568855929.db2.gz	HAYCHBOPPMOQNU-AREMUKBSSA-N	1	1	431.624	3.904	50	30		IHEAMO
CO[C@](F)(C(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2)C(F)(F)F	ZINC000019848059	569330377	/nfs/dbraw/zinc/33/03/77/569330377.db2.gz	WCXYFAKFFJBRHG-GOSISDBHSA-N	1	1	427.423	3.991	50	30		IHEAMO
CO[C@](F)(C(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2)C(F)(F)F	ZINC000019848059	569330378	/nfs/dbraw/zinc/33/03/78/569330378.db2.gz	WCXYFAKFFJBRHG-GOSISDBHSA-N	1	1	427.423	3.991	50	30		IHEAMO
O[C@H](CON=C1c2ccccc2-c2ccccc21)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000019891811	569331764	/nfs/dbraw/zinc/33/17/64/569331764.db2.gz	BBNPWWIZHQZVIY-QFIPXVFZSA-N	1	1	427.548	3.615	50	30		IHEAMO
COc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC	ZINC000020111949	569334530	/nfs/dbraw/zinc/33/45/30/569334530.db2.gz	WYNCIRMCPKRBFJ-SUQGKYDKSA-N	1	1	425.481	3.643	50	30	biogenic	IHEAMO
COc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC	ZINC000020111949	569334533	/nfs/dbraw/zinc/33/45/33/569334533.db2.gz	WYNCIRMCPKRBFJ-SUQGKYDKSA-N	1	1	425.481	3.643	50	30	biogenic	IHEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1	ZINC000036145931	518301997	/nfs/dbraw/zinc/30/19/97/518301997.db2.gz	XRJBRVYGYMNUSF-FCHUYYIVSA-N	1	1	426.944	3.654	50	30		IHEAMO
COc1ccc(/N=C2\c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000022942566	523473485	/nfs/dbraw/zinc/47/34/85/523473485.db2.gz	ZJGDWMIOFKEROJ-BYCLXTJYSA-N	1	1	440.547	3.938	50	30		IHEAMO
N#Cc1c(NC(=O)CC[NH+]2CCN(CCOc3ccccc3)CC2)sc2c1CCCC2	ZINC000022911949	526528235	/nfs/dbraw/zinc/52/82/35/526528235.db2.gz	MJNVMOKXXQVPOL-UHFFFAOYSA-N	1	1	438.597	3.524	50	30		IHEAMO
Nc1c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c(O)cn1CC[NH+]1CCCCC1	ZINC000034770054	555892615	/nfs/dbraw/zinc/89/26/15/555892615.db2.gz	RNBIBLPHQGPMCV-UHFFFAOYSA-N	1	1	436.503	3.827	50	30		IHEAMO
Cc1c(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000016249076	556594450	/nfs/dbraw/zinc/59/44/50/556594450.db2.gz	KBFOETJIKIEJPB-OOJFRLDISA-N	1	1	443.551	3.641	50	30		IHEAMO
Cc1c(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000016249076	556594452	/nfs/dbraw/zinc/59/44/52/556594452.db2.gz	KBFOETJIKIEJPB-OOJFRLDISA-N	1	1	443.551	3.641	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104983906	568623098	/nfs/dbraw/zinc/62/30/98/568623098.db2.gz	NEMTYWWOLSADLA-FYYLOGMGSA-N	1	1	444.959	3.907	50	30		IHEAMO
CO[C@@](F)(C(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2)C(F)(F)F	ZINC000019848057	569330306	/nfs/dbraw/zinc/33/03/06/569330306.db2.gz	WCXYFAKFFJBRHG-SFHVURJKSA-N	1	1	427.423	3.991	50	30		IHEAMO
CO[C@@](F)(C(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2)C(F)(F)F	ZINC000019848057	569330308	/nfs/dbraw/zinc/33/03/08/569330308.db2.gz	WCXYFAKFFJBRHG-SFHVURJKSA-N	1	1	427.423	3.991	50	30		IHEAMO
C=C[C@@](C)(O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245328876	569504111	/nfs/dbraw/zinc/50/41/11/569504111.db2.gz	QLQLDVPQXKMHLO-RCZVLFRGSA-N	1	1	440.609	3.902	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000036207621	518297292	/nfs/dbraw/zinc/29/72/92/518297292.db2.gz	BMFLHZKZOFLPQN-IBGZPJMESA-N	1	1	439.581	3.510	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000036207621	518297298	/nfs/dbraw/zinc/29/72/98/518297298.db2.gz	BMFLHZKZOFLPQN-IBGZPJMESA-N	1	1	439.581	3.510	50	30		IHEAMO
C=C(C)C[N@H+](CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1cc(C)nn1C	ZINC000012726781	518600045	/nfs/dbraw/zinc/60/00/45/518600045.db2.gz	OSGGADYNJUCFFC-UHFFFAOYSA-N	1	1	441.557	3.775	50	30		IHEAMO
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000012716621	519069498	/nfs/dbraw/zinc/06/94/98/519069498.db2.gz	QAEXFZTWDIQVNH-QHCPKHFHSA-N	1	1	448.611	3.987	50	30		IHEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1	ZINC000102702916	557365757	/nfs/dbraw/zinc/36/57/57/557365757.db2.gz	LKTCECPFBNJIFW-ACZWGRGYSA-N	1	1	433.533	3.868	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1csc(C)n1)C2	ZINC000014540708	568826354	/nfs/dbraw/zinc/82/63/54/568826354.db2.gz	WDQAUSGONKHFID-LJQANCHMSA-N	1	1	427.618	3.840	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1csc(C)n1)C2	ZINC000014540708	568826355	/nfs/dbraw/zinc/82/63/55/568826355.db2.gz	WDQAUSGONKHFID-LJQANCHMSA-N	1	1	427.618	3.840	50	30		IHEAMO
COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)cc1OC	ZINC000014978194	568827668	/nfs/dbraw/zinc/82/76/68/568827668.db2.gz	DQGXLLTZTFDVFH-SFHVURJKSA-N	1	1	427.566	3.983	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1	ZINC000169679150	568990805	/nfs/dbraw/zinc/99/08/05/568990805.db2.gz	GBHOICHOTZDMIM-SJLPKXTDSA-N	1	1	445.629	3.808	50	30		IHEAMO
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012592472	521355412	/nfs/dbraw/zinc/35/54/12/521355412.db2.gz	OEZZOSIZMKITRX-MHZLTWQESA-N	1	1	435.564	3.817	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]13)CC2	ZINC000105381577	557497300	/nfs/dbraw/zinc/49/73/00/557497300.db2.gz	RVNNKVFSKICXBT-SZZFRQEQSA-N	1	1	441.568	3.589	50	30	biogenic	IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)CC	ZINC000036309012	518750689	/nfs/dbraw/zinc/75/06/89/518750689.db2.gz	SUVIHMKFFZCIQS-UGKGYDQZSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)CC	ZINC000036309012	518750696	/nfs/dbraw/zinc/75/06/96/518750696.db2.gz	SUVIHMKFFZCIQS-UGKGYDQZSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249959	518983914	/nfs/dbraw/zinc/98/39/14/518983914.db2.gz	GGPZXTKXZKRLKY-FQEVSTJZSA-N	1	1	431.602	3.670	50	30		IHEAMO
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C#CC(C)(C)O)cc3)[N@H+]3CCC[C@@]23C1=O	ZINC000012593021	524455449	/nfs/dbraw/zinc/45/54/49/524455449.db2.gz	KEYUFVMRNRLEOM-QONNDPFASA-N	1	1	444.575	3.756	50	30		IHEAMO
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000012916049	525321827	/nfs/dbraw/zinc/32/18/27/525321827.db2.gz	WOCGZUSOIROIBC-HXUWFJFHSA-N	1	1	446.595	3.709	50	30		IHEAMO
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000012916049	525321830	/nfs/dbraw/zinc/32/18/30/525321830.db2.gz	WOCGZUSOIROIBC-HXUWFJFHSA-N	1	1	446.595	3.709	50	30		IHEAMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1	ZINC000022781739	526769258	/nfs/dbraw/zinc/76/92/58/526769258.db2.gz	AXJQTSGPJKYTAD-UHFFFAOYSA-N	1	1	439.404	3.590	50	30		IHEAMO
Nc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c(O)cn1CC[NH+]1CCCCC1	ZINC000034769869	555892219	/nfs/dbraw/zinc/89/22/19/555892219.db2.gz	ZHMJYHKMXPDLLZ-UHFFFAOYSA-N	1	1	436.503	3.827	50	30		IHEAMO
COc1cc(-c2c(C#N)c(N)nc3c2C[N@H+](Cc2ccccc2)CC3)cc(OC)c1OC	ZINC000018222898	557252978	/nfs/dbraw/zinc/25/29/78/557252978.db2.gz	FVQPZAVWMSXMEQ-UHFFFAOYSA-N	1	1	430.508	3.787	50	30		IHEAMO
COc1cc(-c2c(C#N)c(N)nc3c2C[N@@H+](Cc2ccccc2)CC3)cc(OC)c1OC	ZINC000018222898	557252981	/nfs/dbraw/zinc/25/29/81/557252981.db2.gz	FVQPZAVWMSXMEQ-UHFFFAOYSA-N	1	1	430.508	3.787	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)o1	ZINC000012031077	557524201	/nfs/dbraw/zinc/52/42/01/557524201.db2.gz	ACBIRMGVYNRQAS-RUZDIDTESA-N	1	1	444.531	3.768	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)o1	ZINC000012031077	557524203	/nfs/dbraw/zinc/52/42/03/557524203.db2.gz	ACBIRMGVYNRQAS-RUZDIDTESA-N	1	1	444.531	3.768	50	30		IHEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000104984007	568623082	/nfs/dbraw/zinc/62/30/82/568623082.db2.gz	YBBZWKMKJLGMEF-IFMALSPDSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(OC)cc2)=NO1	ZINC000104984007	568623085	/nfs/dbraw/zinc/62/30/85/568623085.db2.gz	YBBZWKMKJLGMEF-IFMALSPDSA-N	1	1	444.959	3.907	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)Cc1nc3ccccc3s1)C2	ZINC000014753270	568826928	/nfs/dbraw/zinc/82/69/28/568826928.db2.gz	CVBSOULCVRPCQO-KRWDZBQOSA-N	1	1	435.597	3.904	50	30		IHEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1ccccc1	ZINC000020310279	569360135	/nfs/dbraw/zinc/36/01/35/569360135.db2.gz	CKUWSBSHFRALDA-QFIPXVFZSA-N	1	1	438.524	3.711	50	30		IHEAMO
CCOc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000020439383	569365686	/nfs/dbraw/zinc/36/56/86/569365686.db2.gz	JIQIVJFSAXFQMW-YYVWFHOOSA-N	1	1	447.579	3.544	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035872065	518921547	/nfs/dbraw/zinc/92/15/47/518921547.db2.gz	VJNQDKWAOBBWBM-FYYLOGMGSA-N	1	1	425.960	3.514	50	30		IHEAMO
[NH2+]=C(NOC(=O)Nc1ccc(Cl)cc1)c1cccc(CS(=O)(=O)c2ccccn2)c1	ZINC000006143248	556077805	/nfs/dbraw/zinc/07/78/05/556077805.db2.gz	XWDQIQBJPXIVOD-UHFFFAOYSA-N	1	1	444.900	3.578	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)CC	ZINC000105002680	568838736	/nfs/dbraw/zinc/83/87/36/568838736.db2.gz	YBRISFZQVQCDHA-UYAOXDASSA-N	1	1	444.597	3.520	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)CC	ZINC000105002680	568838738	/nfs/dbraw/zinc/83/87/38/568838738.db2.gz	YBRISFZQVQCDHA-UYAOXDASSA-N	1	1	444.597	3.520	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1	ZINC000169677619	568883619	/nfs/dbraw/zinc/88/36/19/568883619.db2.gz	XRJBRVYGYMNUSF-YADHBBJMSA-N	1	1	426.944	3.654	50	30		IHEAMO
C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000036389940	569096653	/nfs/dbraw/zinc/09/66/53/569096653.db2.gz	HHNPPGPJEGHUBY-QUCCMNQESA-N	1	1	434.536	3.958	50	30		IHEAMO
N#Cc1ccc(C[NH+]2CCC(N3CCN(c4ncccc4C(F)(F)F)CC3)CC2)s1	ZINC000252494090	569187883	/nfs/dbraw/zinc/18/78/83/569187883.db2.gz	NKRZGOXGDHYZQA-UHFFFAOYSA-N	1	1	435.519	3.820	50	30		IHEAMO
C/C(=N\O)[C@@]1([n+]2ccccc2)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000253501868	569283500	/nfs/dbraw/zinc/28/35/00/569283500.db2.gz	GVQQNLKRJFAPTL-TYHUSQPNSA-O	1	1	425.593	3.814	50	30		IHEAMO
C#CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000036207622	518308256	/nfs/dbraw/zinc/30/82/56/518308256.db2.gz	BMFLHZKZOFLPQN-LJQANCHMSA-N	1	1	439.581	3.510	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000036207622	518308259	/nfs/dbraw/zinc/30/82/59/518308259.db2.gz	BMFLHZKZOFLPQN-LJQANCHMSA-N	1	1	439.581	3.510	50	30		IHEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)CC1	ZINC000012280599	518644258	/nfs/dbraw/zinc/64/42/58/518644258.db2.gz	RQOVFIPYXXYVLS-HXUWFJFHSA-N	1	1	437.563	3.550	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)CC	ZINC000036309357	518752724	/nfs/dbraw/zinc/75/27/24/518752724.db2.gz	YBRISFZQVQCDHA-ICSRJNTNSA-N	1	1	444.597	3.520	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)CC	ZINC000036309357	518752728	/nfs/dbraw/zinc/75/27/28/518752728.db2.gz	YBRISFZQVQCDHA-ICSRJNTNSA-N	1	1	444.597	3.520	50	30		IHEAMO
C=C[C@@](C)(O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036310236	519298954	/nfs/dbraw/zinc/29/89/54/519298954.db2.gz	QLQLDVPQXKMHLO-WIOPSUGQSA-N	1	1	440.609	3.902	50	30		IHEAMO
N#Cc1ccc(C[NH+]2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1	ZINC000032665107	556417081	/nfs/dbraw/zinc/41/70/81/556417081.db2.gz	QNEQZJDBSWEWMK-UHFFFAOYSA-N	1	1	441.560	3.612	50	30		IHEAMO
CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc(C#CC(C)(C)O)cc1	ZINC000015067524	568828141	/nfs/dbraw/zinc/82/81/41/568828141.db2.gz	NUOGDASCMRWGCS-QFIPXVFZSA-N	1	1	436.571	3.975	50	30		IHEAMO
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000019418276	569319488	/nfs/dbraw/zinc/31/94/88/569319488.db2.gz	XJIUNMSQAXRBJU-UHFFFAOYSA-N	1	1	439.563	3.960	50	30		IHEAMO
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000019418276	569319490	/nfs/dbraw/zinc/31/94/90/569319490.db2.gz	XJIUNMSQAXRBJU-UHFFFAOYSA-N	1	1	439.563	3.960	50	30		IHEAMO
CCOc1ccc(C(=O)/C=C/c2cn(C[C@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000020439388	569365675	/nfs/dbraw/zinc/36/56/75/569365675.db2.gz	JIQIVJFSAXFQMW-UQNNOOFXSA-N	1	1	447.579	3.544	50	30		IHEAMO
CSc1nc(N2CC[NH+](CCOc3ccccc3)CC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000095478574	569373506	/nfs/dbraw/zinc/37/35/06/569373506.db2.gz	CDBWMQVBEITPHA-UHFFFAOYSA-N	1	1	438.597	3.727	50	30		IHEAMO
COc1cc(CC/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\O)ccc1O	ZINC000008762729	569474335	/nfs/dbraw/zinc/47/43/35/569474335.db2.gz	PDDZKGZVBBHUEO-MXJLDLDKSA-N	1	1	428.485	3.520	50	30	biogenic	IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1	ZINC000036307139	518311207	/nfs/dbraw/zinc/31/12/07/518311207.db2.gz	WRIWJUUKLWHCCQ-JOCHJYFZSA-N	1	1	449.526	3.994	50	30		IHEAMO
C=CCn1c(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C1CCCCC1	ZINC000012774666	519209353	/nfs/dbraw/zinc/20/93/53/519209353.db2.gz	YPUTUMJHFFXOQV-OAQYLSRUSA-N	1	1	439.629	3.995	50	30		IHEAMO
C=CCn1c(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C1CCCCC1	ZINC000012774670	519210870	/nfs/dbraw/zinc/21/08/70/519210870.db2.gz	YPUTUMJHFFXOQV-NRFANRHFSA-N	1	1	439.629	3.995	50	30		IHEAMO
CCC[N@@H+]1CCc2c(sc3ncn4nc(CO/N=C/c5ccc(OC)cc5)nc4c23)C1	ZINC000020548660	519864085	/nfs/dbraw/zinc/86/40/85/519864085.db2.gz	BFERIROOLNCHMP-BHGWPJFGSA-N	1	1	436.541	3.666	50	30		IHEAMO
CCC[N@H+]1CCc2c(sc3ncn4nc(CO/N=C/c5ccc(OC)cc5)nc4c23)C1	ZINC000020548660	519864086	/nfs/dbraw/zinc/86/40/86/519864086.db2.gz	BFERIROOLNCHMP-BHGWPJFGSA-N	1	1	436.541	3.666	50	30		IHEAMO
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000021406487	525229083	/nfs/dbraw/zinc/22/90/83/525229083.db2.gz	GHQCYFMYBMMTRO-DEOSSOPVSA-N	1	1	429.524	3.742	50	30		IHEAMO
COc1ccc(C(=[NH2+])NOC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1OC	ZINC000006672649	556100542	/nfs/dbraw/zinc/10/05/42/556100542.db2.gz	HTKGMQDDIXUEQQ-UHFFFAOYSA-N	1	1	433.675	3.907	50	30		IHEAMO
Cc1c(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000015218349	556511762	/nfs/dbraw/zinc/51/17/62/556511762.db2.gz	KBFOETJIKIEJPB-XQJGLGPESA-N	1	1	443.551	3.641	50	30		IHEAMO
Cc1c(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000015218349	556511766	/nfs/dbraw/zinc/51/17/66/556511766.db2.gz	KBFOETJIKIEJPB-XQJGLGPESA-N	1	1	443.551	3.641	50	30		IHEAMO
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102498327	557336716	/nfs/dbraw/zinc/33/67/16/557336716.db2.gz	OCWZYZHRFWRRSI-MOBKVPTQSA-N	1	1	431.492	3.794	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)o1	ZINC000012031074	557524241	/nfs/dbraw/zinc/52/42/41/557524241.db2.gz	ACBIRMGVYNRQAS-VWLOTQADSA-N	1	1	444.531	3.768	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)o1	ZINC000012031074	557524244	/nfs/dbraw/zinc/52/42/44/557524244.db2.gz	ACBIRMGVYNRQAS-VWLOTQADSA-N	1	1	444.531	3.768	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1	ZINC000013839808	568824456	/nfs/dbraw/zinc/82/44/56/568824456.db2.gz	KAVINLVSHWCQNV-UHFFFAOYSA-N	1	1	428.532	3.949	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)Cc1csc(C)n1)C2	ZINC000014540709	568826350	/nfs/dbraw/zinc/82/63/50/568826350.db2.gz	WDQAUSGONKHFID-IBGZPJMESA-N	1	1	427.618	3.840	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1csc(C)n1)C2	ZINC000014540709	568826351	/nfs/dbraw/zinc/82/63/51/568826351.db2.gz	WDQAUSGONKHFID-IBGZPJMESA-N	1	1	427.618	3.840	50	30		IHEAMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1	ZINC000020109784	568855758	/nfs/dbraw/zinc/85/57/58/568855758.db2.gz	KAWSYYYQYHMXRS-NRFANRHFSA-N	1	1	430.976	3.947	50	30		IHEAMO
C/C(=N\N=C(/[NH+]=C/N(C)C)SCc1cc(F)cc2c1OCOC2)c1ccc(C)nc1	ZINC000095747893	518459093	/nfs/dbraw/zinc/45/90/93/518459093.db2.gz	IMCDHWVQKYTEHP-FITVTAKCSA-N	1	1	429.521	3.999	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12	ZINC000035871973	518921200	/nfs/dbraw/zinc/92/12/00/518921200.db2.gz	LHIMMLBBKMPFKV-FYYLOGMGSA-N	1	1	443.513	3.913	50	30		IHEAMO
CC(C)c1cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nn1-c1cc[nH+]cc1	ZINC000089893346	519832836	/nfs/dbraw/zinc/83/28/36/519832836.db2.gz	NIDWFIHIKBXBJK-SFHVURJKSA-N	1	1	431.496	3.883	50	30		IHEAMO
Cc1cccc(CN2CC[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2CCO)n1	ZINC000020869645	524400021	/nfs/dbraw/zinc/40/00/21/524400021.db2.gz	NUEFLBKDAINVCW-NDEPHWFRSA-N	1	1	425.576	3.859	50	30		IHEAMO
Cc1cccc(CN2CC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2CCO)n1	ZINC000020869645	524400029	/nfs/dbraw/zinc/40/00/29/524400029.db2.gz	NUEFLBKDAINVCW-NDEPHWFRSA-N	1	1	425.576	3.859	50	30		IHEAMO
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1OC	ZINC000000627644	555513169	/nfs/dbraw/zinc/51/31/69/555513169.db2.gz	JYGFEJYVHWDDMD-RUZDIDTESA-N	1	1	439.556	3.952	50	30		IHEAMO
COc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000100065262	557223525	/nfs/dbraw/zinc/22/35/25/557223525.db2.gz	ZJGDWMIOFKEROJ-SGEDCAFJSA-N	1	1	440.547	3.938	50	30		IHEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1	ZINC000102708630	557367538	/nfs/dbraw/zinc/36/75/38/557367538.db2.gz	QZBSMSJCJYZMNL-PVEBNWGPSA-N	1	1	433.533	3.868	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)CC	ZINC000105002360	557470180	/nfs/dbraw/zinc/47/01/80/557470180.db2.gz	SUVIHMKFFZCIQS-DENIHFKCSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)CC	ZINC000105002360	557470183	/nfs/dbraw/zinc/47/01/83/557470183.db2.gz	SUVIHMKFFZCIQS-DENIHFKCSA-N	1	1	428.598	3.820	50	30		IHEAMO
COc1cc2c(cc1O)CC[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]31)[C@@H]2C	ZINC000008951834	569489921	/nfs/dbraw/zinc/48/99/21/569489921.db2.gz	LKNRIAFOBSDUTE-YUWXDNOHSA-N	1	1	441.568	3.847	50	30	biogenic	IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1	ZINC000036316194	518301237	/nfs/dbraw/zinc/30/12/37/518301237.db2.gz	SSUSMOACXSKKDM-NRFANRHFSA-N	1	1	449.526	3.994	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000035871878	518920529	/nfs/dbraw/zinc/92/05/29/518920529.db2.gz	WJGAHMDPFUBGAF-IFMALSPDSA-N	1	1	429.486	3.871	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccco1	ZINC000036147847	518987201	/nfs/dbraw/zinc/98/72/01/518987201.db2.gz	ZKNIZYFLCNKPHY-SFHVURJKSA-N	1	1	431.920	3.900	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146715	518989756	/nfs/dbraw/zinc/98/97/56/518989756.db2.gz	NEMTYWWOLSADLA-JTHBVZDNSA-N	1	1	444.959	3.907	50	30		IHEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1ccccc1	ZINC000020310281	520602576	/nfs/dbraw/zinc/60/25/76/520602576.db2.gz	CKUWSBSHFRALDA-JOCHJYFZSA-N	1	1	438.524	3.711	50	30		IHEAMO
COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2F)cc1C[NH+]1CCSCC1	ZINC000017100500	523443781	/nfs/dbraw/zinc/44/37/81/523443781.db2.gz	WQQBYKAJUCQOPY-FSJBWODESA-N	1	1	436.553	3.843	50	30		IHEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2CCN(c3ccccn3)CC2)c1C#N	ZINC000072308293	556565927	/nfs/dbraw/zinc/56/59/27/556565927.db2.gz	HKJYSFXZYDPDKS-UHFFFAOYSA-N	1	1	446.555	3.552	50	30		IHEAMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1	ZINC000020109785	568855652	/nfs/dbraw/zinc/85/56/52/568855652.db2.gz	KAWSYYYQYHMXRS-OAQYLSRUSA-N	1	1	430.976	3.947	50	30		IHEAMO
Cc1cc(N2CC[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000170596350	569141927	/nfs/dbraw/zinc/14/19/27/569141927.db2.gz	DJYKJAVHGJHUHE-SFHVURJKSA-N	1	1	428.496	3.943	50	30		IHEAMO
C[C@H](C[N@@H+](C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21)[C@@H](O)c1ccccc1	ZINC000004081609	569458638	/nfs/dbraw/zinc/45/86/38/569458638.db2.gz	UIRJEEIPORNOGR-KKWYIDRKSA-N	1	1	427.585	3.815	50	30	biogenic	IHEAMO
C=C(C)COc1cc2oc(=O)c(CC(=O)NC[C@H]3CCC[N@@H+]3CC)c(C)c2cc1Cl	ZINC000009302795	569520902	/nfs/dbraw/zinc/52/09/02/569520902.db2.gz	DBTXHKCZHNMONH-MRXNPFEDSA-N	1	1	432.948	3.853	50	30		IHEAMO
C=C[C@](C)(O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036310234	519301907	/nfs/dbraw/zinc/30/19/07/519301907.db2.gz	QLQLDVPQXKMHLO-DHLKQENFSA-N	1	1	440.609	3.902	50	30		IHEAMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)nc1	ZINC000072308197	525201491	/nfs/dbraw/zinc/20/14/91/525201491.db2.gz	YCTKOZITFUANDG-LJQANCHMSA-N	1	1	429.524	3.792	50	30		IHEAMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)nc1	ZINC000072308197	525201496	/nfs/dbraw/zinc/20/14/96/525201496.db2.gz	YCTKOZITFUANDG-LJQANCHMSA-N	1	1	429.524	3.792	50	30		IHEAMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1	ZINC000024193266	556689485	/nfs/dbraw/zinc/68/94/85/556689485.db2.gz	KPYJQRXGXJQVMO-UHFFFAOYSA-N	1	1	431.584	3.637	50	30		IHEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1	ZINC000102709972	557368034	/nfs/dbraw/zinc/36/80/34/557368034.db2.gz	QZBSMSJCJYZMNL-UMBYXPAUSA-N	1	1	433.533	3.868	50	30		IHEAMO
COCCN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000014980954	568827675	/nfs/dbraw/zinc/82/76/75/568827675.db2.gz	NPNDCWXUVVVIFG-SANMLTNESA-N	1	1	446.635	3.748	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)CC	ZINC000169680161	568990862	/nfs/dbraw/zinc/99/08/62/568990862.db2.gz	MJWOHKGOMUXBCG-SIKLNZKXSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)CC	ZINC000169680161	568990863	/nfs/dbraw/zinc/99/08/63/568990863.db2.gz	MJWOHKGOMUXBCG-SIKLNZKXSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CCc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1	ZINC000019901742	569331936	/nfs/dbraw/zinc/33/19/36/569331936.db2.gz	AZDGVFOEIHSGGO-OAQYLSRUSA-N	1	1	430.976	3.947	50	30		IHEAMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(OCc4cccnc4)c3)CC2)cc1	ZINC000069968943	569525968	/nfs/dbraw/zinc/52/59/68/569525968.db2.gz	QFZVVTQPCWLTNM-UHFFFAOYSA-N	1	1	426.520	3.880	50	30		IHEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(OCc4cccnc4)c3)CC2)cc1	ZINC000069968943	569525969	/nfs/dbraw/zinc/52/59/69/569525969.db2.gz	QFZVVTQPCWLTNM-UHFFFAOYSA-N	1	1	426.520	3.880	50	30		IHEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)s1	ZINC000012430324	519330750	/nfs/dbraw/zinc/33/07/50/519330750.db2.gz	IERODDQSPCVRDK-GOSISDBHSA-N	1	1	435.593	3.994	50	30		IHEAMO
COc1cc2c(cc1O)CC[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]31)[C@@H]2C	ZINC000012867692	523019048	/nfs/dbraw/zinc/01/90/48/523019048.db2.gz	LKNRIAFOBSDUTE-LOQSIKSVSA-N	1	1	441.568	3.847	50	30	biogenic	IHEAMO
Cn1ccnc1C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761409	527443498	/nfs/dbraw/zinc/44/34/98/527443498.db2.gz	HCUIHPZPPUNMBG-QGZVFWFLSA-N	1	1	425.602	3.905	50	30		IHEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCOC)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C	ZINC000583648157	557241223	/nfs/dbraw/zinc/24/12/23/557241223.db2.gz	PJYXOKZJPVWOKW-UPVQGACJSA-N	1	1	430.637	3.748	50	30	biogenic	IHEAMO
C=CCOc1c(I)cc(C[NH2+]CCN(CC)CC)cc1OCC	ZINC000019922814	568855485	/nfs/dbraw/zinc/85/54/85/568855485.db2.gz	GRVSPGCYJDUDSL-UHFFFAOYSA-N	1	1	432.346	3.686	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]13)CC2	ZINC000082051641	569304850	/nfs/dbraw/zinc/30/48/50/569304850.db2.gz	RVNNKVFSKICXBT-MXYJPJERSA-N	1	1	441.568	3.589	50	30	biogenic	IHEAMO
O[C@@H](CON=C1c2ccccc2-c2ccccc21)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000019891807	569331767	/nfs/dbraw/zinc/33/17/67/569331767.db2.gz	BBNPWWIZHQZVIY-JOCHJYFZSA-N	1	1	427.548	3.615	50	30		IHEAMO
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009070582	569500116	/nfs/dbraw/zinc/50/01/16/569500116.db2.gz	YAFIXOHEFZYUAX-QFIPXVFZSA-N	1	1	431.492	3.950	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208305	518306348	/nfs/dbraw/zinc/30/63/48/518306348.db2.gz	WKOYTEUUYXABAG-NRFANRHFSA-N	1	1	437.540	3.794	50	30		IHEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208305	518306354	/nfs/dbraw/zinc/30/63/54/518306354.db2.gz	WKOYTEUUYXABAG-NRFANRHFSA-N	1	1	437.540	3.794	50	30		IHEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1	ZINC000036316195	518310410	/nfs/dbraw/zinc/31/04/10/518310410.db2.gz	SSUSMOACXSKKDM-OAQYLSRUSA-N	1	1	449.526	3.994	50	30		IHEAMO
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCC[NH2+]CCO)[C@H]1c1ccc(Cl)cc1	ZINC000012429088	527672611	/nfs/dbraw/zinc/67/26/11/527672611.db2.gz	WOPLFAPVKRXJGJ-IBGZPJMESA-N	1	1	449.334	3.544	50	30		IHEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCOC)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C	ZINC000409414347	557109707	/nfs/dbraw/zinc/10/97/07/557109707.db2.gz	PJYXOKZJPVWOKW-LADGPHEKSA-N	1	1	430.637	3.748	50	30	biogenic	IHEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1	ZINC000102702921	557366190	/nfs/dbraw/zinc/36/61/90/557366190.db2.gz	LKTCECPFBNJIFW-PVEBNWGPSA-N	1	1	433.533	3.868	50	30		IHEAMO
CC(C=Cc1ccc(N(C)C)cc1)=[NH+]NC1=NC(=O)C[C@H](C(=O)Nc2ccccc2)S1	ZINC000008686821	562962925	/nfs/dbraw/zinc/96/29/25/562962925.db2.gz	LXJDVBHBNQEQDG-JNOSOOBESA-N	1	1	435.553	3.758	50	30		IHEAMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1	ZINC000019938586	563023266	/nfs/dbraw/zinc/02/32/66/563023266.db2.gz	VFJLWYJYPAVCLE-JOCHJYFZSA-N	1	1	430.976	3.635	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cccc3ccccc31)C2	ZINC000014543119	568826303	/nfs/dbraw/zinc/82/63/03/568826303.db2.gz	VVTIRBQSIFHLCJ-JOCHJYFZSA-N	1	1	444.579	3.684	50	30		IHEAMO
CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc(C#CC(C)(C)O)cc1	ZINC000015067526	568827917	/nfs/dbraw/zinc/82/79/17/568827917.db2.gz	NUOGDASCMRWGCS-JOCHJYFZSA-N	1	1	436.571	3.975	50	30		IHEAMO
COc1ccc([C@@H](C#N)N2CCN(C(=O)C[N@H+](C)Cc3ccc4ccccc4c3)CC2)cc1	ZINC000010025496	569151543	/nfs/dbraw/zinc/15/15/43/569151543.db2.gz	MJKPCPLCFVPSFV-AREMUKBSSA-N	1	1	442.563	3.689	50	30		IHEAMO
COc1ccc([C@@H](C#N)N2CCN(C(=O)C[N@@H+](C)Cc3ccc4ccccc4c3)CC2)cc1	ZINC000010025496	569151544	/nfs/dbraw/zinc/15/15/44/569151544.db2.gz	MJKPCPLCFVPSFV-AREMUKBSSA-N	1	1	442.563	3.689	50	30		IHEAMO
Cc1cccnc1NC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000040149593	569492555	/nfs/dbraw/zinc/49/25/55/569492555.db2.gz	PWPSWVZLPHEYRV-OAHLLOKOSA-N	1	1	425.920	3.593	50	30		IHEAMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(Cc3ccc(C#N)cc3)CC1)CCCC2	ZINC000069948048	569525155	/nfs/dbraw/zinc/52/51/55/569525155.db2.gz	NASNEJZRPFACRR-UHFFFAOYSA-N	1	1	447.608	3.907	50	30		IHEAMO
N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CCCC2	ZINC000069948048	569525156	/nfs/dbraw/zinc/52/51/56/569525156.db2.gz	NASNEJZRPFACRR-UHFFFAOYSA-N	1	1	447.608	3.907	50	30		IHEAMO
N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)CCCC2	ZINC000069948048	569525157	/nfs/dbraw/zinc/52/51/57/569525157.db2.gz	NASNEJZRPFACRR-UHFFFAOYSA-N	1	1	447.608	3.907	50	30		IHEAMO
CC1(C)CCCN(c2nc(N3CCOCC3)c(C#N)c3c2C[N@H+](Cc2ccccc2)CC3)C1	ZINC000020763918	520328173	/nfs/dbraw/zinc/32/81/73/520328173.db2.gz	QFKRGPNFTKWGTQ-UHFFFAOYSA-N	1	1	445.611	3.975	50	30		IHEAMO
CC1(C)CCCN(c2nc(N3CCOCC3)c(C#N)c3c2C[N@@H+](Cc2ccccc2)CC3)C1	ZINC000020763918	520328183	/nfs/dbraw/zinc/32/81/83/520328183.db2.gz	QFKRGPNFTKWGTQ-UHFFFAOYSA-N	1	1	445.611	3.975	50	30		IHEAMO
C[C@@H](CC(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000012368827	524395112	/nfs/dbraw/zinc/39/51/12/524395112.db2.gz	MHPJZIAMXBAGSP-NSHDSACASA-N	1	1	448.850	3.775	50	30		IHEAMO
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102498319	557336680	/nfs/dbraw/zinc/33/66/80/557336680.db2.gz	OCWZYZHRFWRRSI-HOGKFDNTSA-N	1	1	431.492	3.794	50	30		IHEAMO
COc1ccc([C@H](C#N)N2CCN(C(=O)C[N@H+](C)Cc3ccc4ccccc4c3)CC2)cc1	ZINC000010025492	569151529	/nfs/dbraw/zinc/15/15/29/569151529.db2.gz	MJKPCPLCFVPSFV-SANMLTNESA-N	1	1	442.563	3.689	50	30		IHEAMO
COc1ccc([C@H](C#N)N2CCN(C(=O)C[N@@H+](C)Cc3ccc4ccccc4c3)CC2)cc1	ZINC000010025492	569151531	/nfs/dbraw/zinc/15/15/31/569151531.db2.gz	MJKPCPLCFVPSFV-SANMLTNESA-N	1	1	442.563	3.689	50	30		IHEAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]31)CC2	ZINC000008763179	569474391	/nfs/dbraw/zinc/47/43/91/569474391.db2.gz	YZFORQMYRJBQOB-CTOFGAMHSA-N	1	1	441.568	3.587	50	30	biogenic	IHEAMO
Cc1cccnc1NC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000040149592	569492511	/nfs/dbraw/zinc/49/25/11/569492511.db2.gz	PWPSWVZLPHEYRV-HNNXBMFYSA-N	1	1	425.920	3.593	50	30		IHEAMO
CC(C)c1cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)nn1-c1cc[nH+]cc1	ZINC000089893347	519832766	/nfs/dbraw/zinc/83/27/66/519832766.db2.gz	NIDWFIHIKBXBJK-GOSISDBHSA-N	1	1	431.496	3.883	50	30		IHEAMO
COc1cc2c(cc1O)CC[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]13)[C@@H]2C	ZINC000012867701	523021212	/nfs/dbraw/zinc/02/12/12/523021212.db2.gz	LKNRIAFOBSDUTE-AVWLOEFTSA-N	1	1	441.568	3.847	50	30	biogenic	IHEAMO
C[C@H](C[N@@H+](C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)[C@@H](O)c1ccccc1	ZINC000012870363	524296898	/nfs/dbraw/zinc/29/68/98/524296898.db2.gz	UIRJEEIPORNOGR-BSEQINKYSA-N	1	1	427.585	3.815	50	30	biogenic	IHEAMO
N#Cc1c2c(c(NCc3ccccc3)nc1NCCCO)C[N@H+](Cc1ccccc1)CC2	ZINC000020791249	526531385	/nfs/dbraw/zinc/53/13/85/526531385.db2.gz	OGVFWKJUFOQUTG-UHFFFAOYSA-N	1	1	427.552	3.918	50	30		IHEAMO
N#Cc1c2c(c(NCc3ccccc3)nc1NCCCO)C[N@@H+](Cc1ccccc1)CC2	ZINC000020791249	526531387	/nfs/dbraw/zinc/53/13/87/526531387.db2.gz	OGVFWKJUFOQUTG-UHFFFAOYSA-N	1	1	427.552	3.918	50	30		IHEAMO
Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1	ZINC000029851385	569435482	/nfs/dbraw/zinc/43/54/82/569435482.db2.gz	WDHKKJMXXPUDSU-UHFFFAOYSA-N	1	1	436.581	3.594	50	30		IHEAMO
C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313026	518982862	/nfs/dbraw/zinc/98/28/62/518982862.db2.gz	KEVMWGWPMNVMEW-QFIPXVFZSA-N	1	1	443.588	3.734	50	30		IHEAMO
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1nc3ccccc3s1)C2	ZINC000014753268	519286694	/nfs/dbraw/zinc/28/66/94/519286694.db2.gz	CVBSOULCVRPCQO-QGZVFWFLSA-N	1	1	435.597	3.904	50	30		IHEAMO
O=C(C#Cc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055036842	527663386	/nfs/dbraw/zinc/66/33/86/527663386.db2.gz	UHNLJSBNDMCPKM-HSZRJFAPSA-N	1	1	441.497	3.870	50	30		IHEAMO
N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000023153901	557029156	/nfs/dbraw/zinc/02/91/56/557029156.db2.gz	MPBMXSPMZOBKRI-NRFANRHFSA-N	1	1	431.517	3.957	50	30		IHEAMO
N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000023153901	557029160	/nfs/dbraw/zinc/02/91/60/557029160.db2.gz	MPBMXSPMZOBKRI-NRFANRHFSA-N	1	1	431.517	3.957	50	30		IHEAMO
Cc1nc2c(cnn2-c2ccc(F)cc2)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000048365886	557075041	/nfs/dbraw/zinc/07/50/41/557075041.db2.gz	WPLQFYRRQALZDG-UHFFFAOYSA-N	1	1	441.514	3.847	50	30		IHEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102806375	557387226	/nfs/dbraw/zinc/38/72/26/557387226.db2.gz	GQGMUXBGOPMTMB-HOGKFDNTSA-N	1	1	431.492	3.712	50	30		IHEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)CC	ZINC000105002865	557470191	/nfs/dbraw/zinc/47/01/91/557470191.db2.gz	MJWOHKGOMUXBCG-DENIHFKCSA-N	1	1	428.598	3.820	50	30		IHEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)CC	ZINC000105002865	557470194	/nfs/dbraw/zinc/47/01/94/557470194.db2.gz	MJWOHKGOMUXBCG-DENIHFKCSA-N	1	1	428.598	3.820	50	30		IHEAMO
COc1cc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(Br)c1O	ZINC000244659570	568915330	/nfs/dbraw/zinc/91/53/30/568915330.db2.gz	HFAPFPNJQWWPFE-UHFFFAOYSA-N	1	1	432.362	3.932	50	30		IHEAMO
C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169679413	568991142	/nfs/dbraw/zinc/99/11/42/568991142.db2.gz	VJNQDKWAOBBWBM-GGAORHGYSA-N	1	1	425.960	3.514	50	30		IHEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c(O)c1	ZINC000020309692	569359923	/nfs/dbraw/zinc/35/99/23/569359923.db2.gz	OWSGWCJFPJTAMQ-FQEVSTJZSA-N	1	1	444.915	3.584	50	30		IHEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@@H]1c1ccc(Cl)cc1	ZINC000020310651	569360103	/nfs/dbraw/zinc/36/01/03/569360103.db2.gz	HNFFFOARVXNNTJ-FQEVSTJZSA-N	1	1	428.916	3.966	50	30		IHEAMO
Cc1sc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)c(C#N)c1C	ZINC000095466735	569371086	/nfs/dbraw/zinc/37/10/86/569371086.db2.gz	XLVBAVKRDUKMGX-UHFFFAOYSA-N	1	1	435.553	3.635	50	30		IHEAMO