smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)[O-]	ZINC000218765107	241344311	/nfs/dbraw/zinc/34/43/11/241344311.db2.gz	VCKLEGRTSMLATR-CQSZACIVSA-N	-1	3	328.372	0.680	40	0		ECABHM
O=C(CCCn1cncn1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257204089	244125716	/nfs/dbraw/zinc/12/57/16/244125716.db2.gz	ASZVMUVUAZCSEJ-AWEZNQCLSA-N	-1	3	346.391	0.414	40	0		ECABHM
O=C(CCCn1cccn1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257228153	244208096	/nfs/dbraw/zinc/20/80/96/244208096.db2.gz	FSOCXVLSZNDXPR-CQSZACIVSA-N	-1	3	345.403	0.877	40	0		ECABHM
Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c([O-])c1	ZINC000257260520	244347731	/nfs/dbraw/zinc/34/77/31/244347731.db2.gz	LDFOIFVCSMSIDV-BFYDXBDKSA-N	-1	3	334.416	0.997	40	0		ECABHM
Cc1cc(=O)[n-]c([C@]2(C)CCCN2S(=O)(=O)c2cnn(C)c2)n1	ZINC000257278939	244401163	/nfs/dbraw/zinc/40/11/63/244401163.db2.gz	OEHYISHBYBULAC-AWEZNQCLSA-N	-1	3	337.405	0.924	40	0		ECABHM
Cc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl	ZINC000005055888	435982626	/nfs/dbraw/zinc/98/26/26/435982626.db2.gz	YNMQHTNAPCBRIS-UHFFFAOYSA-N	-1	3	343.792	0.847	40	0		ECABHM
CCOC(=O)[C@H]1C(=O)Nc2nc(N)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1	ZINC000008020412	436022370	/nfs/dbraw/zinc/02/23/70/436022370.db2.gz	PJDUXJHOZSQUTO-GXSJLCMTSA-N	-1	3	346.318	0.755	40	0		ECABHM
CN1CCN(c2nc(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc(=O)[n-]2)CC1	ZINC000248121786	436800257	/nfs/dbraw/zinc/80/02/57/436800257.db2.gz	KJVNTFGWZMDDQP-FOLVSLTJSA-N	-1	3	345.447	0.986	40	0		ECABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCO	ZINC000408609275	438583242	/nfs/dbraw/zinc/58/32/42/438583242.db2.gz	QTZXZOBWVWYFHM-QMMMGPOBSA-N	-1	3	336.797	0.124	40	0		ECABHM
COc1cc(Br)cc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H]2O)c1[O-]	ZINC000257219167	244177380	/nfs/dbraw/zinc/17/73/80/244177380.db2.gz	DFVUOVPWGUTCAM-KBVBSXBZSA-N	-1	3	346.177	0.777	40	0		ECABHM
Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc([O-])c2=O)CO3)s1	ZINC000306143503	437168728	/nfs/dbraw/zinc/16/87/28/437168728.db2.gz	YDVDCHXLHAYLGN-HNNXBMFYSA-N	-1	3	334.401	0.476	40	0		ECABHM
Cc1ccc(CN2CC[C@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)s1	ZINC000306143503	437168732	/nfs/dbraw/zinc/16/87/32/437168732.db2.gz	YDVDCHXLHAYLGN-HNNXBMFYSA-N	-1	3	334.401	0.476	40	0		ECABHM
C[C@@H]1CN(c2nc(CCCN3CCCC3=O)cc(=O)[n-]2)C[C@@H](C)O1	ZINC000072391450	203214042	/nfs/dbraw/zinc/21/40/42/203214042.db2.gz	PFURBAUORFNDIE-CHWSQXEVSA-N	-1	3	334.420	0.939	40	0		ECABHM
Cc1nonc1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257268787	244370779	/nfs/dbraw/zinc/37/07/79/244370779.db2.gz	MNFFXEJFJGGIKE-LLVKDONJSA-N	-1	3	333.348	0.134	40	0		ECABHM
C[C@@H](O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C)[C@@H](C)O	ZINC000017068206	436097592	/nfs/dbraw/zinc/09/75/92/436097592.db2.gz	XMMDZZIYJNQNKL-RULNZFCNSA-N	-1	3	332.294	0.028	40	0		ECABHM
COc1ccc(C(=O)N2CCN3C[C@H](C(=O)[O-])CN(C)C[C@H]3C2)cc1	ZINC000096184913	436519336	/nfs/dbraw/zinc/51/93/36/436519336.db2.gz	BWADJSHFHJLOSQ-CABCVRRESA-N	-1	3	347.415	0.468	40	0		ECABHM
CN1C[C@H]2CN(C(=O)CCc3ccccc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000096184908	436520148	/nfs/dbraw/zinc/52/01/48/436520148.db2.gz	DRIIPUKQZJSGKJ-IRXDYDNUSA-N	-1	3	345.443	0.778	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)COc3cccnc3)CCO2)cc(=O)[n-]1	ZINC000257301469	436866216	/nfs/dbraw/zinc/86/62/16/436866216.db2.gz	RYNWWVLDUOCGEF-AWEZNQCLSA-N	-1	3	330.344	0.865	40	0		ECABHM
Cc1nc([C@H]2COCCN2C(=O)c2ccc(C)n(C)c2=O)cc(=O)[n-]1	ZINC000257241288	244243664	/nfs/dbraw/zinc/24/36/64/244243664.db2.gz	HXMGSEAXDXSKIB-CQSZACIVSA-N	-1	3	344.371	0.711	40	0		ECABHM
O=C1[N-]n2c(=O)c3cnc4ncnn4c3cc2[C@H](c2ccccc2)N1	ZINC000022606853	284914775	/nfs/dbraw/zinc/91/47/75/284914775.db2.gz	KBEBWXQIJSKDKP-ZDUSSCGKSA-N	-1	3	333.311	0.795	40	0		ECABHM
COc1cccc(NC(=O)[C@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)c1	ZINC000010152871	436036783	/nfs/dbraw/zinc/03/67/83/436036783.db2.gz	JSLSBIPWQGEHCJ-GFCCVEGCSA-N	-1	3	329.360	0.950	40	0		ECABHM
Cc1nc(N2CCC[C@H](NC(=O)c3cnccn3)C2)[n-]c(=O)c1C	ZINC000012188590	436049401	/nfs/dbraw/zinc/04/94/01/436049401.db2.gz	NXVOYFKPSWPDLJ-LBPRGKRZSA-N	-1	3	328.376	0.576	40	0		ECABHM
CCOc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c2=O)cc1	ZINC000222672440	436703474	/nfs/dbraw/zinc/70/34/74/436703474.db2.gz	TYXQBCQCXVIARX-UHFFFAOYSA-N	-1	3	333.344	0.684	40	0		ECABHM
CN1C[C@H](COCC2CC2)CC12CN(C(=O)c1cc(=O)[n-]cn1)C2	ZINC000585093728	439628499	/nfs/dbraw/zinc/62/84/99/439628499.db2.gz	ARSZOWYSLWNEKC-CYBMUJFWSA-N	-1	3	332.404	0.755	40	0		ECABHM
COCCNC(=O)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585095834	439628605	/nfs/dbraw/zinc/62/86/05/439628605.db2.gz	OKFNHRMHZNAXKQ-HNNXBMFYSA-N	-1	3	344.371	0.548	40	0		ECABHM
CSCC[C@@H](NCc1cnc(N2CCOCC2)nc1)C(=O)[O-]	ZINC000218769668	241343424	/nfs/dbraw/zinc/34/34/24/241343424.db2.gz	IWDPPEFJHWUYMB-GFCCVEGCSA-N	-1	3	326.422	0.609	40	0		ECABHM
C[C@@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2	ZINC000006002244	296099919	/nfs/dbraw/zinc/09/99/19/296099919.db2.gz	IUYZAAQRKMUTJR-YSIPECPHSA-N	-1	3	338.404	0.805	40	0		ECABHM
Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257235320	244226115	/nfs/dbraw/zinc/22/61/15/244226115.db2.gz	GXIKDXJUXUDTMI-HNNXBMFYSA-N	-1	3	345.403	0.984	40	0		ECABHM
CC(C)(C)NC(=O)CN1CCN(c2nc3c(c(=O)[n-]2)CCCC3)CC1	ZINC000072341822	203203037	/nfs/dbraw/zinc/20/30/37/203203037.db2.gz	JQKADTICMMWNSO-UHFFFAOYSA-N	-1	3	347.463	0.685	40	0		ECABHM
Cc1nonc1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257268788	244371380	/nfs/dbraw/zinc/37/13/80/244371380.db2.gz	MNFFXEJFJGGIKE-NSHDSACASA-N	-1	3	333.348	0.134	40	0		ECABHM
N=C(N)NC(=N)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000004809420	435981130	/nfs/dbraw/zinc/98/11/30/435981130.db2.gz	NOBKOXPAWGGKOO-UHFFFAOYSA-N	-1	3	339.406	0.774	40	0		ECABHM
CN(C)c1nc(N(C)C)[n-]c(=NNS(=O)(=O)c2ccccc2)n1	ZINC000006375208	435998030	/nfs/dbraw/zinc/99/80/30/435998030.db2.gz	BAGAKDHLEOFBPH-UHFFFAOYSA-N	-1	3	337.409	0.309	40	0		ECABHM
O=C([C@H]1CCOC1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367233	436051184	/nfs/dbraw/zinc/05/11/84/436051184.db2.gz	XSGQNXNWNBGYLY-STQMWFEESA-N	-1	3	348.403	0.371	40	0		ECABHM
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019496982	436109070	/nfs/dbraw/zinc/10/90/70/436109070.db2.gz	UCPCBHSVGWENDS-RYUDHWBXSA-N	-1	3	347.419	0.462	40	0		ECABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCO	ZINC000033574013	436253034	/nfs/dbraw/zinc/25/30/34/436253034.db2.gz	VOFFSURPIKGYTH-SSDOTTSWSA-N	-1	3	341.216	0.769	40	0		ECABHM
O=C(CCn1ccnc1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257246577	436860257	/nfs/dbraw/zinc/86/02/57/436860257.db2.gz	IUSZPUUOPWPPJP-CYBMUJFWSA-N	-1	3	331.376	0.487	40	0		ECABHM
O=C([O-])[C@@]12CN(c3nncs3)C[C@@H]1CN([C@H]1CCOC1)CCC2	ZINC000306126237	437164740	/nfs/dbraw/zinc/16/47/40/437164740.db2.gz	DQKBRJBDOFCFHR-HUBLWGQQSA-N	-1	3	338.433	0.930	40	0		ECABHM
C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2	ZINC000006002245	299201908	/nfs/dbraw/zinc/20/19/08/299201908.db2.gz	IUYZAAQRKMUTJR-UNDLNGIXSA-N	-1	3	338.404	0.805	40	0		ECABHM
O=C([O-])c1cc2c(nc1N1CCOCC1)CCN([C@@H]1CCOC1)CC2	ZINC000096189575	304229051	/nfs/dbraw/zinc/22/90/51/304229051.db2.gz	WOTWYPTWEIDUMG-CQSZACIVSA-N	-1	3	347.415	0.806	40	0		ECABHM
CC(C)(C)NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000013564788	278358882	/nfs/dbraw/zinc/35/88/82/278358882.db2.gz	KYIWTOKHHCFTGL-UHFFFAOYSA-N	-1	3	333.436	0.643	40	0		ECABHM
Cc1nc([C@H]2COCCN2C(=O)CN2CCCCCC2=O)cc(=O)[n-]1	ZINC000257302267	436866168	/nfs/dbraw/zinc/86/61/68/436866168.db2.gz	SCFGFXSOTOTNOX-CQSZACIVSA-N	-1	3	348.403	0.793	40	0		ECABHM
COCC(=O)NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1	ZINC000575403341	438747238	/nfs/dbraw/zinc/74/72/38/438747238.db2.gz	IGMIITIFTHXQJU-CYBMUJFWSA-N	-1	3	348.399	0.776	40	0		ECABHM
C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028631101	202173916	/nfs/dbraw/zinc/17/39/16/202173916.db2.gz	GMGWOTQMUKYZIE-XBFCOCLRSA-N	-1	3	333.388	0.137	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)cc(=O)[n-]1	ZINC000257200240	244117723	/nfs/dbraw/zinc/11/77/23/244117723.db2.gz	ACOHGXTUIIGVBO-GFCCVEGCSA-N	-1	3	332.364	0.417	40	0		ECABHM
CNCC(=O)N1CCC(c2ccnc([N-]c3ncccn3)n2)CC1	ZINC000257227872	244207880	/nfs/dbraw/zinc/20/78/80/244207880.db2.gz	FRIDOSNGGISYNL-UHFFFAOYSA-N	-1	3	327.392	0.936	40	0		ECABHM
Nc1nc2c(c(N)n1)C[C@@]1(CCN(Cc3cccc(C(=O)[O-])c3)C1)O2	ZINC000257219495	295369912	/nfs/dbraw/zinc/36/99/12/295369912.db2.gz	DGZBMKYYERTYKJ-QGZVFWFLSA-N	-1	3	341.371	0.919	40	0		ECABHM
Nc1nc(N)c(C(c2ccccc2)c2c(N)[nH]c(N)nc2=O)c(=O)[n-]1	ZINC000005531611	435988313	/nfs/dbraw/zinc/98/83/13/435988313.db2.gz	ZIIQRJJTHNBFLX-UHFFFAOYSA-N	-1	3	340.347	0.187	40	0		ECABHM
Cc1nc(N2CCC[C@@H](NC(=O)c3cnccn3)C2)[n-]c(=O)c1C	ZINC000012188588	436048065	/nfs/dbraw/zinc/04/80/65/436048065.db2.gz	NXVOYFKPSWPDLJ-GFCCVEGCSA-N	-1	3	328.376	0.576	40	0		ECABHM
Cc1nc(N2CCN(CCO)CC2)[n-]c(=O)c1Cc1ccccc1	ZINC000020051946	436108808	/nfs/dbraw/zinc/10/88/08/436108808.db2.gz	ZMPSVEXZWDFOFV-UHFFFAOYSA-N	-1	3	328.416	0.783	40	0		ECABHM
COc1ccc(-c2cc(=O)[n-]c(N3CCN(CCO)CC3)n2)cc1	ZINC000024252058	436132949	/nfs/dbraw/zinc/13/29/49/436132949.db2.gz	MQXOSBICWGVRMA-UHFFFAOYSA-N	-1	3	330.388	0.560	40	0		ECABHM
CCCn1[n-]cc/c1=N\C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O	ZINC000102730643	436551985	/nfs/dbraw/zinc/55/19/85/436551985.db2.gz	BXOFHVOKWVJUHK-SSPLZPMDSA-N	-1	3	341.415	0.566	40	0		ECABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCO	ZINC000409173639	438583450	/nfs/dbraw/zinc/58/34/50/438583450.db2.gz	NGYXEVQGAPQEAD-UHFFFAOYSA-N	-1	3	341.216	0.770	40	0		ECABHM
CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000100774232	206254797	/nfs/dbraw/zinc/25/47/97/206254797.db2.gz	IQJRXFRWOGDJHL-FVCCEPFGSA-N	-1	3	327.425	0.482	40	0		ECABHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000100774195	206255148	/nfs/dbraw/zinc/25/51/48/206255148.db2.gz	RRMCYVUOWFVYFQ-POQQGIQPSA-N	-1	3	341.452	0.872	40	0		ECABHM
C[C@@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C	ZINC000011677074	436045021	/nfs/dbraw/zinc/04/50/21/436045021.db2.gz	IVBOUFAWPCPFTQ-HTQZYQBOSA-N	-1	3	331.438	0.082	40	0	endogenous,in-man	ECABHM
Cc1cnc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)cn1	ZINC000012367333	436051680	/nfs/dbraw/zinc/05/16/80/436051680.db2.gz	PGNMBJOYGBOQGG-LLVKDONJSA-N	-1	3	328.376	0.976	40	0		ECABHM
CCOC(=O)c1nnsc1[N-]C(=O)N1CCN(C(C)=O)CC1	ZINC000261338450	436877218	/nfs/dbraw/zinc/87/72/18/436877218.db2.gz	DTVWMFJPWDPJLS-UHFFFAOYSA-N	-1	3	327.366	0.411	40	0		ECABHM
Cc1ncncc1C(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257212630	244155835	/nfs/dbraw/zinc/15/58/35/244155835.db2.gz	CEHCJZKRPAKVDW-ZDUSSCGKSA-N	-1	3	329.360	0.754	40	0		ECABHM
O=c1[n-]c(=O)c2ncn(S(=O)(=O)c3ccc(Cl)cc3)c2[nH]1	ZINC000005895960	435993267	/nfs/dbraw/zinc/99/32/67/435993267.db2.gz	OWISTHOWLJJIAY-UHFFFAOYSA-N	-1	3	326.721	0.303	40	0		ECABHM
Cc1ccc(C(=O)N2CCN3C[C@@H](C(=O)[O-])CN(C)C[C@@H]3C2)cc1F	ZINC000096184917	436518768	/nfs/dbraw/zinc/51/87/68/436518768.db2.gz	RJVSBAFVMKBKPY-LSDHHAIUSA-N	-1	3	349.406	0.907	40	0		ECABHM
O=C([O-])c1[nH]c(=O)n(-c2ccc(F)cc2)c(=O)c1CN1CCCC1	ZINC000222663569	436702939	/nfs/dbraw/zinc/70/29/39/436702939.db2.gz	WXHHHCGQSXDQPK-UHFFFAOYSA-N	-1	3	333.319	0.959	40	0		ECABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCN2CCCC2=O)s1	ZINC000223811109	436708383	/nfs/dbraw/zinc/70/83/83/436708383.db2.gz	BABOFXQSANPRHC-UHFFFAOYSA-N	-1	3	346.434	0.392	40	0		ECABHM
O=C(Cc1cccnc1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257298155	436865450	/nfs/dbraw/zinc/86/54/50/436865450.db2.gz	RKKQXFMSSGIMRR-AWEZNQCLSA-N	-1	3	328.372	0.837	40	0		ECABHM
CN(C)C(=O)COC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000306128581	437166118	/nfs/dbraw/zinc/16/61/18/437166118.db2.gz	HFKFPRCDZPLIPE-CQSZACIVSA-N	-1	3	348.399	0.728	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000013541554	545655868	/nfs/dbraw/zinc/65/58/68/545655868.db2.gz	FQYQMFCIJNWDQZ-LOWDOPEQSA-N	-1	3	325.409	0.426	40	0		ECABHM
O=C([O-])c1[nH]c(=O)n(C[C@H]2CCCO2)c(=O)c1CN1CCCCC1	ZINC000222657060	241541320	/nfs/dbraw/zinc/54/13/20/241541320.db2.gz	SJSZDKJUIZUKLW-LLVKDONJSA-N	-1	3	337.376	0.400	40	0		ECABHM
Cc1nccn1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257251086	244268446	/nfs/dbraw/zinc/26/84/46/244268446.db2.gz	JPIHYCXWKNLTSU-ZDUSSCGKSA-N	-1	3	331.376	0.405	40	0		ECABHM
COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1	ZINC000019590234	212049163	/nfs/dbraw/zinc/04/91/63/212049163.db2.gz	IVTMLBPCYUCPSD-LBPRGKRZSA-N	-1	3	334.420	0.913	40	0		ECABHM
COC(=O)c1ccccc1NC(=O)C[C@H](C(=O)[O-])N1CCN(C)CC1	ZINC000022585066	292025317	/nfs/dbraw/zinc/02/53/17/292025317.db2.gz	AOKARJWWNYLHCZ-CQSZACIVSA-N	-1	3	349.387	0.502	40	0		ECABHM
CC1(C)S[C@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000003830608	435978619	/nfs/dbraw/zinc/97/86/19/435978619.db2.gz	HGBLNBBNRORJKI-KKZNHRDASA-N	-1	3	341.433	0.280	40	0	in-vitro	ECABHM
CCOc1ccccc1N1C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C1=O	ZINC000016899815	436098321	/nfs/dbraw/zinc/09/83/21/436098321.db2.gz	MCFGSGOPVBMRDY-JOYOIKCWSA-N	-1	3	338.385	0.862	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@H]1c1cc(=O)[n-]c(C)n1	ZINC000257291846	436863115	/nfs/dbraw/zinc/86/31/15/436863115.db2.gz	QIVWTHJALFAUBP-CQSZACIVSA-N	-1	3	331.376	0.973	40	0		ECABHM
CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000100772738	219106604	/nfs/dbraw/zinc/10/66/04/219106604.db2.gz	KOYHYIXVOFGDGD-FVCCEPFGSA-N	-1	3	327.425	0.482	40	0		ECABHM
C[C@]1(c2[n-]ncc2S(C)(=O)=O)CCCN(C(=O)c2cc[nH]n2)C1	ZINC000072388743	216189206	/nfs/dbraw/zinc/18/92/06/216189206.db2.gz	GWZGDRZWMYDNPF-AWEZNQCLSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@]1(c2n[n-]cc2S(C)(=O)=O)CCCN(C(=O)c2cc[nH]n2)C1	ZINC000072388743	216189208	/nfs/dbraw/zinc/18/92/08/216189208.db2.gz	GWZGDRZWMYDNPF-AWEZNQCLSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@]1(c2[n-]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1	ZINC000072388743	216189211	/nfs/dbraw/zinc/18/92/11/216189211.db2.gz	GWZGDRZWMYDNPF-AWEZNQCLSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@]1(c2n[n-]cc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1	ZINC000072388743	216189212	/nfs/dbraw/zinc/18/92/12/216189212.db2.gz	GWZGDRZWMYDNPF-AWEZNQCLSA-N	-1	3	337.405	0.730	40	0		ECABHM
CN1CCN([C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000022592948	212307771	/nfs/dbraw/zinc/30/77/71/212307771.db2.gz	TZJNKODEDLRDFG-GFCCVEGCSA-N	-1	3	335.360	0.445	40	0		ECABHM
Cc1ccc(C(=O)N2CCN3C[C@H](C(=O)[O-])CN(C)C[C@@H]3C2)cc1F	ZINC000096184916	436519622	/nfs/dbraw/zinc/51/96/22/436519622.db2.gz	RJVSBAFVMKBKPY-HUUCEWRRSA-N	-1	3	349.406	0.907	40	0		ECABHM
O=C(CCCn1ccnc1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257317935	436869851	/nfs/dbraw/zinc/86/98/51/436869851.db2.gz	VLTZFEKTTGOPPB-AWEZNQCLSA-N	-1	3	345.403	0.877	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257337856	436875124	/nfs/dbraw/zinc/87/51/24/436875124.db2.gz	YUSGZFBYACSDMO-CQSZACIVSA-N	-1	3	345.403	0.925	40	0		ECABHM
Cc1nc([C@H]2COCCN2C(=O)c2cnc(N(C)C)nc2)cc(=O)[n-]1	ZINC000257344813	436876398	/nfs/dbraw/zinc/87/63/98/436876398.db2.gz	ZYTKVFOAUMSWMM-CYBMUJFWSA-N	-1	3	344.375	0.560	40	0		ECABHM
O=S1(=O)[N-][C@@H]2CN(Cc3nccs3)C[C@@H]2Oc2ncccc21	ZINC000514290388	438812164	/nfs/dbraw/zinc/81/21/64/438812164.db2.gz	ZXWCMGUYNLMELE-ZJUUUORDSA-N	-1	3	338.414	0.462	40	0	biogenic,in-vitro	ECABHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000202357220	564057047	/nfs/dbraw/zinc/05/70/47/564057047.db2.gz	FQYQMFCIJNWDQZ-RNJOBUHISA-N	-1	3	325.409	0.426	40	0		ECABHM
O=C([O-])CCC(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1	ZINC000072369451	216176268	/nfs/dbraw/zinc/17/62/68/216176268.db2.gz	CUGKVVIWZXSIKD-SFHVURJKSA-N	-1	3	332.400	0.873	40	0		ECABHM
C[C@@]1(c2[n-]ncc2S(C)(=O)=O)CCCN(C(=O)c2cc[nH]n2)C1	ZINC000072388744	216189108	/nfs/dbraw/zinc/18/91/08/216189108.db2.gz	GWZGDRZWMYDNPF-CQSZACIVSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@@]1(c2n[n-]cc2S(C)(=O)=O)CCCN(C(=O)c2cc[nH]n2)C1	ZINC000072388744	216189109	/nfs/dbraw/zinc/18/91/09/216189109.db2.gz	GWZGDRZWMYDNPF-CQSZACIVSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@@]1(c2[n-]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1	ZINC000072388744	216189111	/nfs/dbraw/zinc/18/91/11/216189111.db2.gz	GWZGDRZWMYDNPF-CQSZACIVSA-N	-1	3	337.405	0.730	40	0		ECABHM
C[C@@]1(c2n[n-]cc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1	ZINC000072388744	216189113	/nfs/dbraw/zinc/18/91/13/216189113.db2.gz	GWZGDRZWMYDNPF-CQSZACIVSA-N	-1	3	337.405	0.730	40	0		ECABHM
CC(=O)N1CCC(N2CC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)CC1	ZINC000257213210	244157509	/nfs/dbraw/zinc/15/75/09/244157509.db2.gz	CGPCBALSVHUVAB-LBPRGKRZSA-N	-1	3	340.449	0.613	40	0		ECABHM
CC(=O)N1CCC(N2CC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)CC1	ZINC000257213210	244157515	/nfs/dbraw/zinc/15/75/15/244157515.db2.gz	CGPCBALSVHUVAB-LBPRGKRZSA-N	-1	3	340.449	0.613	40	0		ECABHM
COC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccccc3)CC2)n1	ZINC000014608514	436072274	/nfs/dbraw/zinc/07/22/74/436072274.db2.gz	ASHFYEJKCFAMLS-UHFFFAOYSA-N	-1	3	328.372	0.812	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)COc3cccnc3)CCO2)cc(=O)[n-]1	ZINC000257301470	436867041	/nfs/dbraw/zinc/86/70/41/436867041.db2.gz	RYNWWVLDUOCGEF-CQSZACIVSA-N	-1	3	330.344	0.865	40	0		ECABHM
O=C(c1ccccc1)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1	ZINC000514289020	438812466	/nfs/dbraw/zinc/81/24/66/438812466.db2.gz	FENBAXNQQKZCHW-OLZOCXBDSA-N	-1	3	345.380	0.646	40	0	biogenic,in-vitro	ECABHM
Cc1nn(C)cc1CN1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1	ZINC000072335519	216157142	/nfs/dbraw/zinc/15/71/42/216157142.db2.gz	DLLNPQVIOISWRC-UHFFFAOYSA-N	-1	3	344.419	0.207	40	0		ECABHM
COc1ccc(OC[C@@H](O)CN(C)C(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000257242914	244247204	/nfs/dbraw/zinc/24/72/04/244247204.db2.gz	IESGAYXFZODHOX-JTQLQIEISA-N	-1	3	349.343	0.408	40	0		ECABHM
COc1ccc(NC(=O)[C@@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)cc1	ZINC000010152953	211149843	/nfs/dbraw/zinc/14/98/43/211149843.db2.gz	HBUPPBONJDUHMC-LBPRGKRZSA-N	-1	3	329.360	0.950	40	0		ECABHM
CCOc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000005055868	210377774	/nfs/dbraw/zinc/37/77/74/210377774.db2.gz	RLSMTSKGQOBESK-UHFFFAOYSA-N	-1	3	339.373	0.284	40	0		ECABHM
CCOC(=O)[C@@H]1C(=O)Nc2nc(N)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1	ZINC000008020422	285856021	/nfs/dbraw/zinc/85/60/21/285856021.db2.gz	PJDUXJHOZSQUTO-ONGXEEELSA-N	-1	3	346.318	0.755	40	0		ECABHM
Cc1cc(=O)[n-]c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1	ZINC000072341812	436042911	/nfs/dbraw/zinc/04/29/11/436042911.db2.gz	XTQLYJOIUQBJDP-AWEZNQCLSA-N	-1	3	333.436	0.601	40	0		ECABHM
Cc1nn(C)cc1S(=O)(=O)N1NC(C)=C[C@]1([O-])C(F)(F)F	ZINC000017066702	436097566	/nfs/dbraw/zinc/09/75/66/436097566.db2.gz	NHOZLPYZJQIJSG-VIFPVBQESA-N	-1	3	326.300	0.750	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@H]1c1cc(=O)[n-]c(C)n1	ZINC000257291845	436864604	/nfs/dbraw/zinc/86/46/04/436864604.db2.gz	QIVWTHJALFAUBP-AWEZNQCLSA-N	-1	3	331.376	0.973	40	0		ECABHM
CCN(CC)S(=O)(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257300983	436865877	/nfs/dbraw/zinc/86/58/77/436865877.db2.gz	RWLIFDWUIYIGIH-CYBMUJFWSA-N	-1	3	344.437	0.402	40	0		ECABHM
Cc1nc([C@@H]2COCCN2C(=O)CCCn2cncn2)cc(=O)[n-]1	ZINC000257234246	244223468	/nfs/dbraw/zinc/22/34/68/244223468.db2.gz	GSTLEMMDJGOEKL-ZDUSSCGKSA-N	-1	3	332.364	0.462	40	0		ECABHM
NCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005706856	435991648	/nfs/dbraw/zinc/99/16/48/435991648.db2.gz	RQHFSIVXROIJHL-ZDUSSCGKSA-N	-1	3	337.376	0.611	40	0		ECABHM
CN1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000096184914	436518779	/nfs/dbraw/zinc/51/87/79/436518779.db2.gz	ZEXUHORALXQADA-HOCLYGCPSA-N	-1	3	349.406	0.527	40	0		ECABHM
Cc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)[n-]c(=O)c1C	ZINC000065307526	436653774	/nfs/dbraw/zinc/65/37/74/436653774.db2.gz	CZOLWDCCVSCNBU-UHFFFAOYSA-N	-1	3	333.436	0.521	40	0		ECABHM
CN(Cc1nc(N)cc(=O)[n-]1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000049468826	214009934	/nfs/dbraw/zinc/00/99/34/214009934.db2.gz	INBHWODTUUZZIG-UHFFFAOYSA-N	-1	3	328.781	0.826	40	0		ECABHM
NC(=O)C[C@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)[O-]	ZINC000218763938	241342838	/nfs/dbraw/zinc/34/28/38/241342838.db2.gz	BPYJWRPMSSQROP-ZDUSSCGKSA-N	-1	3	329.360	0.507	40	0		ECABHM
CSCC[C@H](NCc1cnc(N2CCOCC2)nc1)C(=O)[O-]	ZINC000218769764	241344227	/nfs/dbraw/zinc/34/42/27/241344227.db2.gz	IWDPPEFJHWUYMB-LBPRGKRZSA-N	-1	3	326.422	0.609	40	0		ECABHM
Cc1nc([C@H]2COCCN2C(=O)CCCn2cncn2)cc(=O)[n-]1	ZINC000257234245	244221826	/nfs/dbraw/zinc/22/18/26/244221826.db2.gz	GSTLEMMDJGOEKL-CYBMUJFWSA-N	-1	3	332.364	0.462	40	0		ECABHM
COc1ccc(CC(=O)N2[C@@H](C(=O)[O-])COC23CCN(C)CC3)cc1	ZINC000071980012	436034850	/nfs/dbraw/zinc/03/48/50/436034850.db2.gz	XMAGBFFBDUGQHP-OAHLLOKOSA-N	-1	3	348.399	0.972	40	0		ECABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCO	ZINC000033574014	436252352	/nfs/dbraw/zinc/25/23/52/436252352.db2.gz	VOFFSURPIKGYTH-ZETCQYMHSA-N	-1	3	341.216	0.769	40	0		ECABHM
COc1ccc(C(=O)N2CCN3C[C@@H](C(=O)[O-])CN(C)C[C@H]3C2)cc1	ZINC000096184912	436520138	/nfs/dbraw/zinc/52/01/38/436520138.db2.gz	BWADJSHFHJLOSQ-GJZGRUSLSA-N	-1	3	347.415	0.468	40	0		ECABHM
CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1nc(N)cc(=O)[n-]1	ZINC000049468811	214010134	/nfs/dbraw/zinc/01/01/34/214010134.db2.gz	QNBXJRLQOLJDOP-UHFFFAOYSA-N	-1	3	326.353	0.453	40	0		ECABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000100780403	219106656	/nfs/dbraw/zinc/10/66/56/219106656.db2.gz	VRWZLFVPHZTUAR-POQQGIQPSA-N	-1	3	341.452	0.872	40	0		ECABHM
CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)CC1	ZINC000257202908	244124989	/nfs/dbraw/zinc/12/49/89/244124989.db2.gz	ANWLWHGGUCRHIG-OAHLLOKOSA-N	-1	3	348.403	0.649	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)cc(=O)[n-]1	ZINC000257217478	244169999	/nfs/dbraw/zinc/16/99/99/244169999.db2.gz	CZDABQWJNDEFCA-CQSZACIVSA-N	-1	3	331.376	0.757	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)cc(=O)[n-]1	ZINC000257217477	244170279	/nfs/dbraw/zinc/17/02/79/244170279.db2.gz	CZDABQWJNDEFCA-AWEZNQCLSA-N	-1	3	331.376	0.757	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000004899477	210315817	/nfs/dbraw/zinc/31/58/17/210315817.db2.gz	JNTMAZFVYNDPLB-PEDHHIEDSA-N	-1	3	341.452	0.966	40	0	in-vivo	ECABHM
COc1ccc(CC(=O)N2[C@H](C(=O)[O-])COC23CCN(C)CC3)cc1	ZINC000071980011	436031907	/nfs/dbraw/zinc/03/19/07/436031907.db2.gz	XMAGBFFBDUGQHP-HNNXBMFYSA-N	-1	3	348.399	0.972	40	0		ECABHM
Cc1nc(C(=O)N(CCO)C[C@H](O)COc2ccccc2)cc(=O)[n-]1	ZINC000257319049	436870635	/nfs/dbraw/zinc/87/06/35/436870635.db2.gz	VQLBCPLDXQXAME-ZDUSSCGKSA-N	-1	3	347.371	0.365	40	0		ECABHM
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000006255959	545654857	/nfs/dbraw/zinc/65/48/57/545654857.db2.gz	NHXZRXLFOBFMDM-RWMBFGLXSA-N	-1	3	327.425	0.576	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)cc(=O)[n-]1	ZINC000257200241	244117049	/nfs/dbraw/zinc/11/70/49/244117049.db2.gz	ACOHGXTUIIGVBO-LBPRGKRZSA-N	-1	3	332.364	0.417	40	0		ECABHM
Cc1nonc1CC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257244781	244253876	/nfs/dbraw/zinc/25/38/76/244253876.db2.gz	IMSKXIBGYLHFNH-LBPRGKRZSA-N	-1	3	333.348	0.276	40	0		ECABHM
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000002522609	279188840	/nfs/dbraw/zinc/18/88/40/279188840.db2.gz	NHXZRXLFOBFMDM-XQQFMLRXSA-N	-1	3	327.425	0.576	40	0		ECABHM
CCCCCc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCCCC1	ZINC000001748089	435961584	/nfs/dbraw/zinc/96/15/84/435961584.db2.gz	QKBUXWUWADEVKO-UHFFFAOYSA-N	-1	3	329.422	0.971	40	0		ECABHM
C[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2	ZINC000006002246	435994006	/nfs/dbraw/zinc/99/40/06/435994006.db2.gz	IUYZAAQRKMUTJR-GIFVMLIZSA-N	-1	3	338.404	0.805	40	0		ECABHM
C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019496984	436108662	/nfs/dbraw/zinc/10/86/62/436108662.db2.gz	UCPCBHSVGWENDS-NWDGAFQWSA-N	-1	3	347.419	0.462	40	0		ECABHM
Cc1cccc(N2CCC[C@H](NC(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000257281503	436861971	/nfs/dbraw/zinc/86/19/71/436861971.db2.gz	OPNGPCFQWQHYBQ-NSHDSACASA-N	-1	3	329.360	0.990	40	0		ECABHM
CCN(CC)S(=O)(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257291271	436863226	/nfs/dbraw/zinc/86/32/26/436863226.db2.gz	QGICMAOATVZVBK-GFCCVEGCSA-N	-1	3	344.437	0.260	40	0		ECABHM
CCc1nccn1CC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257288303	436863813	/nfs/dbraw/zinc/86/38/13/436863813.db2.gz	PTRCGGQPKBLZDU-CQSZACIVSA-N	-1	3	345.403	0.801	40	0		ECABHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000100774193	219106544	/nfs/dbraw/zinc/10/65/44/219106544.db2.gz	RRMCYVUOWFVYFQ-VJTDZRGJSA-N	-1	3	341.452	0.872	40	0		ECABHM
Cn1cccc1CN1CCc2c(nc(N3CCOCC3)[n-]c2=O)C1	ZINC000019291143	436107716	/nfs/dbraw/zinc/10/77/16/436107716.db2.gz	MCXWABVFFMZIEQ-UHFFFAOYSA-N	-1	3	329.404	0.503	40	0		ECABHM
Nc1nc2c(c(N)n1)C[C@]1(CCN(Cc3cccc(C(=O)[O-])c3)C1)O2	ZINC000257219494	436860495	/nfs/dbraw/zinc/86/04/95/436860495.db2.gz	DGZBMKYYERTYKJ-KRWDZBQOSA-N	-1	3	341.371	0.919	40	0		ECABHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)N)CC1)C(=O)[O-]	ZINC000100777801	219106701	/nfs/dbraw/zinc/10/67/01/219106701.db2.gz	RRMCYVUOWFVYFQ-YHQUGGNUSA-N	-1	3	341.452	0.872	40	0		ECABHM
CCOc1ccccc1N1C(=O)C[C@H](SC[C@H](N)C(=O)[O-])C1=O	ZINC000100855948	219108683	/nfs/dbraw/zinc/10/86/83/219108683.db2.gz	MCFGSGOPVBMRDY-CABZTGNLSA-N	-1	3	338.385	0.862	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)cc(=O)[n-]1	ZINC000257252357	244274005	/nfs/dbraw/zinc/27/40/05/244274005.db2.gz	JUNQLPGMUKKXGC-CQSZACIVSA-N	-1	3	344.371	0.711	40	0		ECABHM
Cc1nc(N2CCC[C@H](NC(=O)Cn3ccnc3)C2)[n-]c(=O)c1C	ZINC000012221464	436049433	/nfs/dbraw/zinc/04/94/33/436049433.db2.gz	XQYBGXSUQPNRAH-ZDUSSCGKSA-N	-1	3	330.392	0.368	40	0		ECABHM
Cc1cccc(N2CCC[C@@H](NC(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000257281502	436861331	/nfs/dbraw/zinc/86/13/31/436861331.db2.gz	OPNGPCFQWQHYBQ-LLVKDONJSA-N	-1	3	329.360	0.990	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)cc(=O)[n-]1	ZINC000257326144	436873505	/nfs/dbraw/zinc/87/35/05/436873505.db2.gz	WWABLDRSLFZKPA-LBPRGKRZSA-N	-1	3	337.767	0.941	40	0		ECABHM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(=O)[nH]1	ZINC000004270281	210157326	/nfs/dbraw/zinc/15/73/26/210157326.db2.gz	DPFGABDYYAUKGY-UHFFFAOYSA-N	-1	3	335.263	0.883	40	0		ECABHM
C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)[n-]c(N)n1	ZINC000257243399	244251729	/nfs/dbraw/zinc/25/17/29/244251729.db2.gz	IGUJHKVDSAZDQQ-SECBINFHSA-N	-1	3	346.343	0.516	40	0		ECABHM
O=C(c1cccc([O-])c1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC000096081779	218580513	/nfs/dbraw/zinc/58/05/13/218580513.db2.gz	HBOVMFAIPKSTIM-CABCVRRESA-N	-1	3	326.356	0.912	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)Cc3ccccc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000107813058	436615070	/nfs/dbraw/zinc/61/50/70/436615070.db2.gz	DLFWIXAGJDJEGQ-HZPDHXFCSA-N	-1	3	331.416	0.388	40	0		ECABHM
COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c1=O	ZINC000222674269	436703157	/nfs/dbraw/zinc/70/31/57/436703157.db2.gz	PLZFEIJPNNYBOK-UHFFFAOYSA-N	-1	3	333.344	0.603	40	0		ECABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c2=O)c(OC)c1	ZINC000222673355	436703363	/nfs/dbraw/zinc/70/33/63/436703363.db2.gz	RYXUNRCZDPTAOO-UHFFFAOYSA-N	-1	3	349.343	0.303	40	0		ECABHM
Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(=O)c([O-])nnc2CO3)c1	ZINC000306131692	437167027	/nfs/dbraw/zinc/16/70/27/437167027.db2.gz	KMTRFHZMNTXYPU-GOSISDBHSA-N	-1	3	342.399	0.723	40	0		ECABHM
Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)c1	ZINC000306131692	437167028	/nfs/dbraw/zinc/16/70/28/437167028.db2.gz	KMTRFHZMNTXYPU-GOSISDBHSA-N	-1	3	342.399	0.723	40	0		ECABHM
CCN1CC2(C1)CN(Cc1cccc(C(=O)[O-])c1)C[C@H]1C[C@@H](O)CN12	ZINC000514288775	438811341	/nfs/dbraw/zinc/81/13/41/438811341.db2.gz	DYCLWHZMIJKYTA-IAGOWNOFSA-N	-1	3	345.443	0.710	40	0	biogenic,in-vitro	ECABHM
C[C@@H]1CN(c2nc(CCCN3CCCC3=O)cc(=O)[n-]2)C[C@H](C)O1	ZINC000072391448	216190842	/nfs/dbraw/zinc/19/08/42/216190842.db2.gz	PFURBAUORFNDIE-BETUJISGSA-N	-1	3	334.420	0.939	40	0		ECABHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1ccc(OC)cc1	ZINC000001575180	435959097	/nfs/dbraw/zinc/95/90/97/435959097.db2.gz	YOKSHKUGQAOYFW-AAEUAGOBSA-N	-1	3	346.339	0.927	40	0		ECABHM
CCc1c(C)nc(N2CCN(CC(=O)N3CCCC3)CC2)[n-]c1=O	ZINC000072341820	436045335	/nfs/dbraw/zinc/04/53/35/436045335.db2.gz	MVLDTEXSVNALJU-UHFFFAOYSA-N	-1	3	333.436	0.385	40	0		ECABHM
CN1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000096184915	436519829	/nfs/dbraw/zinc/51/98/29/436519829.db2.gz	ZEXUHORALXQADA-ZBFHGGJFSA-N	-1	3	349.406	0.527	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000248100590	436801511	/nfs/dbraw/zinc/80/15/11/436801511.db2.gz	DRIIPUKQZJSGKJ-DLBZAZTESA-N	-1	3	345.443	0.778	40	0		ECABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCCO	ZINC000409172699	438583507	/nfs/dbraw/zinc/58/35/07/438583507.db2.gz	GJTOYDGWKFCQEF-UHFFFAOYSA-N	-1	3	327.189	0.380	40	0		ECABHM
CCc1nnsc1C(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257227604	535866580	/nfs/dbraw/zinc/86/65/80/535866580.db2.gz	FQBMICBRIJWVPP-SNVBAGLBSA-N	-1	3	349.416	0.927	40	0		ECABHM
Cc1nn(C)cc1C(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257235978	244228880	/nfs/dbraw/zinc/22/88/80/244228880.db2.gz	HAIAGWFGZHDFBZ-CYBMUJFWSA-N	-1	3	331.376	0.698	40	0		ECABHM
[NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000005274012	435987282	/nfs/dbraw/zinc/98/72/82/435987282.db2.gz	MUYCUFZXUZRHSL-IUCAKERBSA-N	-1	3	339.314	0.238	40	0		ECABHM
O=C([C@@H]1CCOC1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367219	436051549	/nfs/dbraw/zinc/05/15/49/436051549.db2.gz	XSGQNXNWNBGYLY-CHWSQXEVSA-N	-1	3	348.403	0.371	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013646353	436066341	/nfs/dbraw/zinc/06/63/41/436066341.db2.gz	FQYQMFCIJNWDQZ-CYDGBPFRSA-N	-1	3	325.409	0.426	40	0		ECABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@@H](CO)CSC(C)C	ZINC000017044480	436098267	/nfs/dbraw/zinc/09/82/67/436098267.db2.gz	MDIBJSAIUYBAFF-LWTINBJPSA-N	-1	3	327.406	0.004	40	0		ECABHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1	ZINC000257290432	436863607	/nfs/dbraw/zinc/86/36/07/436863607.db2.gz	QCXZWJWCPWFPPV-NQBHXWOUSA-N	-1	3	325.394	0.050	40	0		ECABHM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)CCC2Cc3ccccc3C2)C1=O	ZINC000329855076	437421553	/nfs/dbraw/zinc/42/15/53/437421553.db2.gz	TVJUUEXIJILDIK-CQSZACIVSA-N	-1	3	336.413	0.468	40	0		ECABHM
CCn1cc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257252401	536028168	/nfs/dbraw/zinc/02/81/68/536028168.db2.gz	JURCJBBDOPFGCB-CQSZACIVSA-N	-1	3	331.376	0.872	40	0		ECABHM
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257210320	244147776	/nfs/dbraw/zinc/14/77/76/244147776.db2.gz	BUBUAXNRSSZBGN-NSHDSACASA-N	-1	3	343.387	0.725	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257255659	244282612	/nfs/dbraw/zinc/28/26/12/244282612.db2.gz	KIJDPOBGMUCHNK-CQSZACIVSA-N	-1	3	331.376	0.986	40	0		ECABHM
O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1ccncc1)CC2	ZINC000019405282	436107206	/nfs/dbraw/zinc/10/72/06/436107206.db2.gz	HUABXAISROUSSU-UHFFFAOYSA-N	-1	3	327.388	0.560	40	0		ECABHM
Cc1nnn2c1COC[C@H](C[N-]S(=O)(=O)c1cccs1)C2	ZINC000096199330	436523156	/nfs/dbraw/zinc/52/31/56/436523156.db2.gz	VAOAKVJJHULDLU-SNVBAGLBSA-N	-1	3	328.419	0.773	40	0		ECABHM
Cc1ccsc1C(=O)N1CCN2C[C@H](C(=O)[O-])CN(C)C[C@H]2C1	ZINC000107768730	436614115	/nfs/dbraw/zinc/61/41/15/436614115.db2.gz	URALADYCARWWBG-OLZOCXBDSA-N	-1	3	337.445	0.829	40	0		ECABHM
CCN(CC)S(=O)(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257300984	436866584	/nfs/dbraw/zinc/86/65/84/436866584.db2.gz	RWLIFDWUIYIGIH-ZDUSSCGKSA-N	-1	3	344.437	0.402	40	0		ECABHM
CCn1cc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257252400	536029037	/nfs/dbraw/zinc/02/90/37/536029037.db2.gz	JURCJBBDOPFGCB-AWEZNQCLSA-N	-1	3	331.376	0.872	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)cc(=O)[n-]1	ZINC000257223206	244191258	/nfs/dbraw/zinc/19/12/58/244191258.db2.gz	DWJBEEGSDXJUNZ-ZDUSSCGKSA-N	-1	3	332.364	0.462	40	0		ECABHM
Cc1cc(=O)[n-]c(N2CCN(CC(=O)NCc3ccco3)CC2)n1	ZINC000072341811	254485507	/nfs/dbraw/zinc/48/55/07/254485507.db2.gz	VTJWCIMKMFXUDR-UHFFFAOYSA-N	-1	3	331.376	0.110	40	0		ECABHM
CCOc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C2=O)cc1	ZINC000016899835	436097989	/nfs/dbraw/zinc/09/79/89/436097989.db2.gz	VMFWVRBQXMHQAS-NWDGAFQWSA-N	-1	3	338.385	0.862	40	0		ECABHM
O=C([O-])[C@H]1CN2CCN(C(=O)C3CC3)C[C@@H]2CN(Cc2ccco2)C1	ZINC000096184955	436520000	/nfs/dbraw/zinc/52/00/00/436520000.db2.gz	BNDWUFUZBSRYPN-CABCVRRESA-N	-1	3	347.415	0.719	40	0		ECABHM
COc1cccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)c1	ZINC000222671226	436703120	/nfs/dbraw/zinc/70/31/20/436703120.db2.gz	HCPNIJDYYAUOTB-UHFFFAOYSA-N	-1	3	345.355	0.828	40	0		ECABHM
Cc1nc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)cc(=O)[n-]1	ZINC000257321556	436869567	/nfs/dbraw/zinc/86/95/67/436869567.db2.gz	WCEBQHVIAKQNAW-ZDUSSCGKSA-N	-1	3	336.373	0.648	40	0		ECABHM
Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc([O-])c2=O)CO3)s1	ZINC000306143504	437167871	/nfs/dbraw/zinc/16/78/71/437167871.db2.gz	YDVDCHXLHAYLGN-OAHLLOKOSA-N	-1	3	334.401	0.476	40	0		ECABHM
Cc1ccc(CN2CC[C@@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)s1	ZINC000306143504	437167873	/nfs/dbraw/zinc/16/78/73/437167873.db2.gz	YDVDCHXLHAYLGN-OAHLLOKOSA-N	-1	3	334.401	0.476	40	0		ECABHM
CCOc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)[O-])C2=O)cc1	ZINC000100855967	219108863	/nfs/dbraw/zinc/10/88/63/219108863.db2.gz	VMFWVRBQXMHQAS-RYUDHWBXSA-N	-1	3	338.385	0.862	40	0		ECABHM
NC(=O)[N-]n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O	ZINC000040391546	213296694	/nfs/dbraw/zinc/29/66/94/213296694.db2.gz	ZHBWNXMJOPQMGG-UHFFFAOYSA-N	-1	3	339.290	0.868	40	0		ECABHM
CN(C)c1cncc([C@H]2CCCN2C(=O)c2c[nH]c(=O)[n-]c2=O)n1	ZINC000257273323	244385413	/nfs/dbraw/zinc/38/54/13/244385413.db2.gz	NGCVJOFOPQXXLK-LLVKDONJSA-N	-1	3	330.348	0.721	40	0		ECABHM
CCS(=O)(=O)N1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1	ZINC000012113690	211292893	/nfs/dbraw/zinc/29/28/93/211292893.db2.gz	CCEFTNMVAIQBAN-UHFFFAOYSA-N	-1	3	340.449	0.875	40	0		ECABHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCO[C@@H](Cc2ccccc2)C1	ZINC000331496116	296937091	/nfs/dbraw/zinc/93/70/91/296937091.db2.gz	RXNQMXYFWRNFKA-NSHDSACASA-N	-1	3	330.344	0.554	40	0		ECABHM
COc1ccc(C(=O)N2CCN3C[C@@H](C(=O)[O-])CN(C)C[C@@H]3C2)cc1	ZINC000107200957	295085732	/nfs/dbraw/zinc/08/57/32/295085732.db2.gz	BWADJSHFHJLOSQ-LSDHHAIUSA-N	-1	3	347.415	0.468	40	0		ECABHM
O=C([O-])c1[nH]c(=O)n(-c2ccccc2F)c(=O)c1CN1CCCC1	ZINC000222663121	436703003	/nfs/dbraw/zinc/70/30/03/436703003.db2.gz	MCDFGBZZTGEVMB-UHFFFAOYSA-N	-1	3	333.319	0.959	40	0		ECABHM
O=C([O-])[C@H]1CN2CCN(C(=O)C3CC3)C[C@H]2CN(Cc2ccco2)C1	ZINC000247347172	436793757	/nfs/dbraw/zinc/79/37/57/436793757.db2.gz	BNDWUFUZBSRYPN-HUUCEWRRSA-N	-1	3	347.415	0.719	40	0		ECABHM
NC(=O)C[C@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)[O-]	ZINC000218765143	241343578	/nfs/dbraw/zinc/34/35/78/241343578.db2.gz	VCKLEGRTSMLATR-AWEZNQCLSA-N	-1	3	328.372	0.680	40	0		ECABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)c3ccco3)C2)c(=O)[n-]1	ZINC000019286477	212010722	/nfs/dbraw/zinc/01/07/22/212010722.db2.gz	PRGDOUHSLUMWID-NSHDSACASA-N	-1	3	342.359	0.968	40	0		ECABHM
Cc1cnc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)cn1	ZINC000012367337	211356968	/nfs/dbraw/zinc/35/69/68/211356968.db2.gz	PGNMBJOYGBOQGG-NSHDSACASA-N	-1	3	328.376	0.976	40	0		ECABHM
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000033901017	279175516	/nfs/dbraw/zinc/17/55/16/279175516.db2.gz	DPURXCQCHSQPAN-AVGNSLFASA-N	-1	3	325.409	0.426	40	0		ECABHM
CC(C)=C1N=C2[N-]C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)N2N1	ZINC000014607188	436073934	/nfs/dbraw/zinc/07/39/34/436073934.db2.gz	BBURNCMMXTUJCD-JTQLQIEISA-N	-1	3	343.343	0.670	40	0		ECABHM
Cc1ccc(C(=O)N2CCN3C[C@H](C(=O)[O-])CN(C)C[C@H]3C2)cc1F	ZINC000107200968	436608558	/nfs/dbraw/zinc/60/85/58/436608558.db2.gz	RJVSBAFVMKBKPY-CABCVRRESA-N	-1	3	349.406	0.907	40	0		ECABHM
CN1C[C@@H](COCC2CC2)CC12CN(C(=O)c1cc(=O)[n-]cn1)C2	ZINC000585093729	439627483	/nfs/dbraw/zinc/62/74/83/439627483.db2.gz	ARSZOWYSLWNEKC-ZDUSSCGKSA-N	-1	3	332.404	0.755	40	0		ECABHM
COCCNC(=O)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585095835	439627749	/nfs/dbraw/zinc/62/77/49/439627749.db2.gz	OKFNHRMHZNAXKQ-OAHLLOKOSA-N	-1	3	344.371	0.548	40	0		ECABHM
CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000100781470	219106455	/nfs/dbraw/zinc/10/64/55/219106455.db2.gz	KOYHYIXVOFGDGD-WUHRBBMRSA-N	-1	3	327.425	0.482	40	0		ECABHM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)CCn2ccnc2)C1	ZINC000257271711	244381176	/nfs/dbraw/zinc/38/11/76/244381176.db2.gz	MZLOYRRTQIRRMB-NSHDSACASA-N	-1	3	337.405	0.416	40	0		ECABHM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(C(=O)CCn2ccnc2)C1	ZINC000257271711	244381186	/nfs/dbraw/zinc/38/11/86/244381186.db2.gz	MZLOYRRTQIRRMB-NSHDSACASA-N	-1	3	337.405	0.416	40	0		ECABHM
CC(C)c1cc(C(=O)N2CC[C@@H](O)C2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000257275823	278010805	/nfs/dbraw/zinc/01/08/05/278010805.db2.gz	NRBMJDVJICRZNI-SECBINFHSA-N	-1	3	332.360	0.364	40	0		ECABHM
COCC(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	ZINC000071980660	436032627	/nfs/dbraw/zinc/03/26/27/436032627.db2.gz	GOEQZJNSDIPWKU-HNNXBMFYSA-N	-1	3	348.399	0.937	40	0		ECABHM
CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000644163638	440456696	/nfs/dbraw/zinc/45/66/96/440456696.db2.gz	DPURXCQCHSQPAN-XQQFMLRXSA-N	-1	3	325.409	0.426	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000100780401	219106648	/nfs/dbraw/zinc/10/66/48/219106648.db2.gz	VRWZLFVPHZTUAR-VJTDZRGJSA-N	-1	3	341.452	0.872	40	0		ECABHM
CCCn1[n-]cc/c1=N\C(=O)CN1c2ccccc2C[C@H]1C(N)=O	ZINC000102730577	219226264	/nfs/dbraw/zinc/22/62/64/219226264.db2.gz	YFQIGFMRMBKURK-SPPQWUQUSA-N	-1	3	327.388	0.570	40	0		ECABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC2)s1	ZINC000225780599	242032888	/nfs/dbraw/zinc/03/28/88/242032888.db2.gz	KZKXOZLPFVOTEO-UHFFFAOYSA-N	-1	3	347.466	0.651	40	0		ECABHM
Cc1nc([C@@H]2COCCN2C(=O)c2ccc(C)n(C)c2=O)cc(=O)[n-]1	ZINC000257241287	244244263	/nfs/dbraw/zinc/24/42/63/244244263.db2.gz	HXMGSEAXDXSKIB-AWEZNQCLSA-N	-1	3	344.371	0.711	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257241756	244244859	/nfs/dbraw/zinc/24/48/59/244244859.db2.gz	HZMGOBMLDFDPMW-CYBMUJFWSA-N	-1	3	345.403	0.782	40	0		ECABHM
Cc1cc(C)c(S(=O)(=O)n2cnc3c2[nH]c(=O)[n-]c3=O)c(C)c1	ZINC000019593727	212050291	/nfs/dbraw/zinc/05/02/91/212050291.db2.gz	SGMGJGIWSWBFLN-UHFFFAOYSA-N	-1	3	334.357	0.575	40	0		ECABHM
O=c1[n-]c(-c2cnccn2)nc2c1CCN(C[C@@H]1CCCO1)CC2	ZINC000019403833	285194610	/nfs/dbraw/zinc/19/46/10/285194610.db2.gz	XZFIWNBPBNRVQE-LBPRGKRZSA-N	-1	3	327.388	0.807	40	0		ECABHM
O=c1[n-]c(=O)c2ncn(S(=O)(=O)c3cccc4cccnc43)c2[nH]1	ZINC000005897604	435994496	/nfs/dbraw/zinc/99/44/96/435994496.db2.gz	KFEUZHVRSJLBNW-UHFFFAOYSA-N	-1	3	343.324	0.198	40	0		ECABHM
CCN1CCN(c2nc(CSc3nncn3C)cc(=O)[n-]2)CC1	ZINC000020414472	436111869	/nfs/dbraw/zinc/11/18/69/436111869.db2.gz	YPHUFOMXEWCMHA-UHFFFAOYSA-N	-1	3	335.437	0.333	40	0		ECABHM
O=C(CCCn1cccn1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257228152	244208152	/nfs/dbraw/zinc/20/81/52/244208152.db2.gz	FSOCXVLSZNDXPR-AWEZNQCLSA-N	-1	3	345.403	0.877	40	0		ECABHM
CC(=O)N[C@H]1CCN(Cc2ccccc2OCC(=O)[O-])CC[C@@H]1O	ZINC000257219105	244178014	/nfs/dbraw/zinc/17/80/14/244178014.db2.gz	DFPCVKHSFKWUFG-GJZGRUSLSA-N	-1	3	336.388	0.611	40	0		ECABHM
O=C(Cc1cccnc1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257245886	244256454	/nfs/dbraw/zinc/25/64/54/244256454.db2.gz	IRMTYZYNYCAUMY-HNNXBMFYSA-N	-1	3	328.372	0.980	40	0		ECABHM
COc1cccc(OC[C@H](O)CN(C)C(=O)c2cc(=O)[n-]c(N)n2)c1	ZINC000257240482	244240705	/nfs/dbraw/zinc/24/07/05/244240705.db2.gz	HTRRQUWFZHGQPF-SNVBAGLBSA-N	-1	3	348.359	0.285	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)c3cnc(N(C)C)nc3)CCO2)cc(=O)[n-]1	ZINC000257252736	244274258	/nfs/dbraw/zinc/27/42/58/244274258.db2.gz	JVYTXLHBBXQJLX-ZDUSSCGKSA-N	-1	3	344.375	0.560	40	0		ECABHM
COc1ccc(NC(=O)[C@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)cc1	ZINC000010152956	211149919	/nfs/dbraw/zinc/14/99/19/211149919.db2.gz	HBUPPBONJDUHMC-GFCCVEGCSA-N	-1	3	329.360	0.950	40	0		ECABHM
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000003830610	435976857	/nfs/dbraw/zinc/97/68/57/435976857.db2.gz	HGBLNBBNRORJKI-FXPVBKGRSA-N	-1	3	341.433	0.280	40	0	in-vitro	ECABHM
O=c1[n-]c(=O)c2ncn(S(=O)(=O)c3cccc4ccccc43)c2[nH]1	ZINC000005905285	435995064	/nfs/dbraw/zinc/99/50/64/435995064.db2.gz	GKWXTGMALRWNKC-UHFFFAOYSA-N	-1	3	342.336	0.803	40	0		ECABHM
COCC(=O)N1[C@@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	ZINC000071980661	436032470	/nfs/dbraw/zinc/03/24/70/436032470.db2.gz	GOEQZJNSDIPWKU-OAHLLOKOSA-N	-1	3	348.399	0.937	40	0		ECABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@H](CO)CSC(C)C	ZINC000017044477	436096506	/nfs/dbraw/zinc/09/65/06/436096506.db2.gz	MDIBJSAIUYBAFF-UMCURTJPSA-N	-1	3	327.406	0.004	40	0		ECABHM
CC(=O)N1CCC(N2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)CC1	ZINC000257213209	436859142	/nfs/dbraw/zinc/85/91/42/436859142.db2.gz	CGPCBALSVHUVAB-GFCCVEGCSA-N	-1	3	340.449	0.613	40	0		ECABHM
CC(=O)N1CCC(N2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)CC1	ZINC000257213209	436859144	/nfs/dbraw/zinc/85/91/44/436859144.db2.gz	CGPCBALSVHUVAB-GFCCVEGCSA-N	-1	3	340.449	0.613	40	0		ECABHM
O=C(CCn1ccnc1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257246578	436860310	/nfs/dbraw/zinc/86/03/10/436860310.db2.gz	IUSZPUUOPWPPJP-ZDUSSCGKSA-N	-1	3	331.376	0.487	40	0		ECABHM
COc1ccc(CN2CC[C@]3(C2)Cn2c(=O)c([O-])nnc2CO3)cc1	ZINC000306142873	437167544	/nfs/dbraw/zinc/16/75/44/437167544.db2.gz	XNBXFIJRUFSBTI-KRWDZBQOSA-N	-1	3	344.371	0.115	40	0		ECABHM
COc1ccc(CN2CC[C@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)cc1	ZINC000306142873	437167547	/nfs/dbraw/zinc/16/75/47/437167547.db2.gz	XNBXFIJRUFSBTI-KRWDZBQOSA-N	-1	3	344.371	0.115	40	0		ECABHM
Cc1cccc(Cn2[n-]cc/c2=N\C(=O)CN2CCC[C@@H]2C(N)=O)c1	ZINC000102730516	219225760	/nfs/dbraw/zinc/22/57/60/219225760.db2.gz	VOZLKRDSBYVXQG-JJTVEENBSA-N	-1	3	341.415	0.550	40	0		ECABHM
CC(=O)N1CCC(C(=O)N2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)CC1	ZINC000257202907	244123890	/nfs/dbraw/zinc/12/38/90/244123890.db2.gz	ANWLWHGGUCRHIG-HNNXBMFYSA-N	-1	3	348.403	0.649	40	0		ECABHM
O=C(CN1CCCCC1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257214386	244160825	/nfs/dbraw/zinc/16/08/25/244160825.db2.gz	CLTVNRFEHVLTSE-OAHLLOKOSA-N	-1	3	334.420	0.828	40	0		ECABHM
COc1ccc(OC[C@H](O)CN(C)C(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000257242915	244248472	/nfs/dbraw/zinc/24/84/72/244248472.db2.gz	IESGAYXFZODHOX-SNVBAGLBSA-N	-1	3	349.343	0.408	40	0		ECABHM
C[C@H](O)CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)[n-]c(N)n1	ZINC000257243400	244251212	/nfs/dbraw/zinc/25/12/12/244251212.db2.gz	IGUJHKVDSAZDQQ-VIFPVBQESA-N	-1	3	346.343	0.516	40	0		ECABHM
CCOC(=O)[C@@H]1C(=O)Nc2nc(N)[n-]c(=O)c2[C@H]1c1ccc(F)cc1	ZINC000008020403	285856019	/nfs/dbraw/zinc/85/60/19/285856019.db2.gz	PJDUXJHOZSQUTO-KOLCDFICSA-N	-1	3	346.318	0.755	40	0		ECABHM
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019496981	436107074	/nfs/dbraw/zinc/10/70/74/436107074.db2.gz	UCPCBHSVGWENDS-NEPJUHHUSA-N	-1	3	347.419	0.462	40	0		ECABHM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000012968168	436059831	/nfs/dbraw/zinc/05/98/31/436059831.db2.gz	UJXWUSIAGBIWPY-UHFFFAOYSA-N	-1	3	343.792	0.847	40	0		ECABHM
CN1C[C@H]2CN(C(=O)CCc3ccccc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000096184909	436518879	/nfs/dbraw/zinc/51/88/79/436518879.db2.gz	DRIIPUKQZJSGKJ-SJORKVTESA-N	-1	3	345.443	0.778	40	0		ECABHM
Cc1cccc(CN2C[C@H]3C[C@@]3([N-]S(=O)(=O)c3cn(C)cn3)C2)n1	ZINC000306129638	437165776	/nfs/dbraw/zinc/16/57/76/437165776.db2.gz	IIRLNQFYONRWPR-CZUORRHYSA-N	-1	3	347.444	0.676	40	0		ECABHM
CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000100772287	219106585	/nfs/dbraw/zinc/10/65/85/219106585.db2.gz	UJDJYHZDBPMRGT-YIYPIFLZSA-N	-1	3	341.452	0.872	40	0		ECABHM
CCOc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1	ZINC000100855969	219108523	/nfs/dbraw/zinc/10/85/23/219108523.db2.gz	VMFWVRBQXMHQAS-NEPJUHHUSA-N	-1	3	338.385	0.862	40	0		ECABHM
COc1cccc(OC[C@@H](O)CN(C)C(=O)c2cc(=O)[n-]c(N)n2)c1	ZINC000257240481	244240921	/nfs/dbraw/zinc/24/09/21/244240921.db2.gz	HTRRQUWFZHGQPF-JTQLQIEISA-N	-1	3	348.359	0.285	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257255658	244282637	/nfs/dbraw/zinc/28/26/37/244282637.db2.gz	KIJDPOBGMUCHNK-AWEZNQCLSA-N	-1	3	331.376	0.986	40	0		ECABHM
Cc1nonc1CC(=O)N1CC[C@@H](c2cc(=O)[n-]c(N(C)C)n2)C1	ZINC000012367389	211357830	/nfs/dbraw/zinc/35/78/30/211357830.db2.gz	SYZRYVJPDYDPHP-SNVBAGLBSA-N	-1	3	332.364	0.498	40	0		ECABHM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3)[n-]c(=O)c2C1	ZINC000257342943	280016186	/nfs/dbraw/zinc/01/61/86/280016186.db2.gz	ZQRVYMOUNDPEPI-LBPRGKRZSA-N	-1	3	326.422	0.705	40	0		ECABHM
O=C([C@H]1CCCO1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367197	436051035	/nfs/dbraw/zinc/05/10/35/436051035.db2.gz	BWZYEEDEWVHCFJ-GXTWGEPZSA-N	-1	3	348.403	0.514	40	0		ECABHM
Cc1ccsc1C(=O)N1CCN2C[C@@H](C(=O)[O-])CN(C)C[C@@H]2C1	ZINC000096064113	436509046	/nfs/dbraw/zinc/50/90/46/436509046.db2.gz	URALADYCARWWBG-QWHCGFSZSA-N	-1	3	337.445	0.829	40	0		ECABHM
O=C(c1cncc([O-])c1)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257217439	244170595	/nfs/dbraw/zinc/17/05/95/244170595.db2.gz	CYYHZEYQUJOHJC-KRWDZBQOSA-N	-1	3	335.404	0.477	40	0		ECABHM
Cc1nc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)cc(=O)[n-]1	ZINC000257277579	244396850	/nfs/dbraw/zinc/39/68/50/244396850.db2.gz	NYNHOBAMKIUYKQ-CQSZACIVSA-N	-1	3	330.392	0.920	40	0		ECABHM
O=C1c2ccccc2C(=O)N1CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000001589267	435958088	/nfs/dbraw/zinc/95/80/88/435958088.db2.gz	CDDQOIQYLHCEEU-UHFFFAOYSA-N	-1	3	335.319	0.986	40	0		ECABHM
O=C([C@H]1CCOC1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367228	436052510	/nfs/dbraw/zinc/05/25/10/436052510.db2.gz	XSGQNXNWNBGYLY-OLZOCXBDSA-N	-1	3	348.403	0.371	40	0		ECABHM
Cc1nc(N2CCC[C@@H](NC(=O)Cn3ccnc3)C2)[n-]c(=O)c1C	ZINC000012221463	436047885	/nfs/dbraw/zinc/04/78/85/436047885.db2.gz	XQYBGXSUQPNRAH-CYBMUJFWSA-N	-1	3	330.392	0.368	40	0		ECABHM
O=C([C@@H]1CCCO1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367186	436049880	/nfs/dbraw/zinc/04/98/80/436049880.db2.gz	BWZYEEDEWVHCFJ-OCCSQVGLSA-N	-1	3	348.403	0.514	40	0		ECABHM
O=C(c1cnc[n-]c1=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257341291	436875397	/nfs/dbraw/zinc/87/53/97/436875397.db2.gz	ZJSNAECGBCSELA-AWEZNQCLSA-N	-1	3	342.346	0.490	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257337855	436875728	/nfs/dbraw/zinc/87/57/28/436875728.db2.gz	YUSGZFBYACSDMO-AWEZNQCLSA-N	-1	3	345.403	0.925	40	0		ECABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C=O)CC2)c(Cl)c1	ZINC000044904912	202534384	/nfs/dbraw/zinc/53/43/84/202534384.db2.gz	YFOPFCPZMFPDTH-UHFFFAOYSA-N	-1	3	345.808	0.626	40	0		ECABHM
Cc1nc[nH]c1CN1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257222507	244187895	/nfs/dbraw/zinc/18/78/95/244187895.db2.gz	DTNVWHRORVHNDI-NSHDSACASA-N	-1	3	325.394	0.418	40	0		ECABHM
O=C(Cc1cccnc1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257245887	244255889	/nfs/dbraw/zinc/25/58/89/244255889.db2.gz	IRMTYZYNYCAUMY-OAHLLOKOSA-N	-1	3	328.372	0.980	40	0		ECABHM
O=c1cc([C@@H]2CCN(Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1	ZINC000072394673	203213629	/nfs/dbraw/zinc/21/36/29/203213629.db2.gz	MAZGWJDNJYFNPY-CQSZACIVSA-N	-1	3	341.415	0.991	40	0		ECABHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)N)CC1)C(=O)[O-]	ZINC000100777803	206254952	/nfs/dbraw/zinc/25/49/52/206254952.db2.gz	RRMCYVUOWFVYFQ-BJJPWKGXSA-N	-1	3	341.452	0.872	40	0		ECABHM
O=c1[n-]c(-c2cnccn2)nc2c1CCN(C[C@H]1CCCO1)CC2	ZINC000019403836	285194735	/nfs/dbraw/zinc/19/47/35/285194735.db2.gz	XZFIWNBPBNRVQE-GFCCVEGCSA-N	-1	3	327.388	0.807	40	0		ECABHM
O=C([C@@H]1CCCO1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367190	436051753	/nfs/dbraw/zinc/05/17/53/436051753.db2.gz	BWZYEEDEWVHCFJ-JSGCOSHPSA-N	-1	3	348.403	0.514	40	0		ECABHM
Cc1ncc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cn1	ZINC000019287249	436107549	/nfs/dbraw/zinc/10/75/49/436107549.db2.gz	UQMUECNBOBXFCW-UHFFFAOYSA-N	-1	3	349.398	0.926	40	0		ECABHM
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])N2)CC1	ZINC000225765536	436713431	/nfs/dbraw/zinc/71/34/31/436713431.db2.gz	VNCPNGUHTSSZAI-GHMZBOCLSA-N	-1	3	327.381	0.271	40	0		ECABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C=O)CC2)cc1Cl	ZINC000216413780	241192130	/nfs/dbraw/zinc/19/21/30/241192130.db2.gz	IBCHONVOOSMBMZ-UHFFFAOYSA-N	-1	3	345.808	0.626	40	0		ECABHM
CC(=O)O[C@H]1NC(=O)[N-]C(=O)C1(Br)Br	ZINC000005664437	277093854	/nfs/dbraw/zinc/09/38/54/277093854.db2.gz	ZXWRXJNZZZZHDP-SCSAIBSYSA-N	-1	3	329.932	0.201	40	0		ECABHM
O=C([O-])[C@@H](CC(=O)NCCN1CCOCC1)NCc1ccccc1	ZINC000019201980	436104193	/nfs/dbraw/zinc/10/41/93/436104193.db2.gz	GVTWHHFZLGQZKC-OAHLLOKOSA-N	-1	3	335.404	0.068	40	0		ECABHM
COc1ccc(C(=O)N2CCN3C[C@H](C(=O)[O-])CN(C)C[C@@H]3C2)cc1	ZINC000248089000	436800167	/nfs/dbraw/zinc/80/01/67/436800167.db2.gz	BWADJSHFHJLOSQ-HUUCEWRRSA-N	-1	3	347.415	0.468	40	0		ECABHM
CN(C)S(=O)(=O)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072377831	203209028	/nfs/dbraw/zinc/20/90/28/203209028.db2.gz	JGNLRMLBLPRUSX-LBPRGKRZSA-N	-1	3	349.420	0.954	40	0		ECABHM
Cc1cnc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257236584	244229199	/nfs/dbraw/zinc/22/91/99/244229199.db2.gz	HCWBFQNYQGFYAU-CYBMUJFWSA-N	-1	3	329.360	0.754	40	0		ECABHM
COC(=O)c1ccccc1NC(=O)C[C@@H](C(=O)[O-])N1CCN(C)CC1	ZINC000022585062	292025403	/nfs/dbraw/zinc/02/54/03/292025403.db2.gz	AOKARJWWNYLHCZ-AWEZNQCLSA-N	-1	3	349.387	0.502	40	0		ECABHM
COc1cccc(NC(=O)[C@@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)c1	ZINC000010152864	436037541	/nfs/dbraw/zinc/03/75/41/436037541.db2.gz	JSLSBIPWQGEHCJ-LBPRGKRZSA-N	-1	3	329.360	0.950	40	0		ECABHM
COc1ccc(OC)c(-n2c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c2=O)c1	ZINC000222673824	436703495	/nfs/dbraw/zinc/70/34/95/436703495.db2.gz	ZBBVLDFVFOTGFX-UHFFFAOYSA-N	-1	3	349.343	0.303	40	0		ECABHM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccccc2Br)c(=O)[nH]1	ZINC000223283102	436704930	/nfs/dbraw/zinc/70/49/30/436704930.db2.gz	OCKMSMXGMVYAGW-UHFFFAOYSA-N	-1	3	346.162	0.627	40	0		ECABHM
O=C(CCCn1cncn1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257337431	436873932	/nfs/dbraw/zinc/87/39/32/436873932.db2.gz	YSSRACZLASJYIW-CYBMUJFWSA-N	-1	3	346.391	0.272	40	0		ECABHM
O=C([O-])[C@@H]1CN2CCN(C(=O)C3CC3)C[C@H]2CN(Cc2ccco2)C1	ZINC000247347181	304133828	/nfs/dbraw/zinc/13/38/28/304133828.db2.gz	BNDWUFUZBSRYPN-LSDHHAIUSA-N	-1	3	347.415	0.719	40	0		ECABHM
Cc1cnc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257236585	244228155	/nfs/dbraw/zinc/22/81/55/244228155.db2.gz	HCWBFQNYQGFYAU-ZDUSSCGKSA-N	-1	3	329.360	0.754	40	0		ECABHM
Cc1nc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)cc(=O)[n-]1	ZINC000257252356	244274242	/nfs/dbraw/zinc/27/42/42/244274242.db2.gz	JUNQLPGMUKKXGC-AWEZNQCLSA-N	-1	3	344.371	0.711	40	0		ECABHM
Cc1nc([C@@H]2COCCN2C(=O)c2cnc(N(C)C)nc2)cc(=O)[n-]1	ZINC000257344814	293347999	/nfs/dbraw/zinc/34/79/99/293347999.db2.gz	ZYTKVFOAUMSWMM-ZDUSSCGKSA-N	-1	3	344.375	0.560	40	0		ECABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCO	ZINC000408609272	438583435	/nfs/dbraw/zinc/58/34/35/438583435.db2.gz	QTZXZOBWVWYFHM-MRVPVSSYSA-N	-1	3	336.797	0.124	40	0		ECABHM
COCC(=O)NC[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575406961	438747261	/nfs/dbraw/zinc/74/72/61/438747261.db2.gz	ZOTQNWITBFEXGF-AWEZNQCLSA-N	-1	3	344.371	0.548	40	0		ECABHM
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000006255961	545655357	/nfs/dbraw/zinc/65/53/57/545655357.db2.gz	NHXZRXLFOBFMDM-YNEHKIRRSA-N	-1	3	327.425	0.576	40	0		ECABHM
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000013541658	545656162	/nfs/dbraw/zinc/65/61/62/545656162.db2.gz	DPURXCQCHSQPAN-RWMBFGLXSA-N	-1	3	325.409	0.426	40	0		ECABHM
CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000100772685	206255310	/nfs/dbraw/zinc/25/53/10/206255310.db2.gz	KOYHYIXVOFGDGD-RVMXOQNASA-N	-1	3	327.425	0.482	40	0		ECABHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1ccc(OC)cc1	ZINC000001575182	435958455	/nfs/dbraw/zinc/95/84/55/435958455.db2.gz	YOKSHKUGQAOYFW-WCQYABFASA-N	-1	3	346.339	0.927	40	0		ECABHM
Cc1cc(=O)[n-]c(N2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)n1	ZINC000072341815	436043712	/nfs/dbraw/zinc/04/37/12/436043712.db2.gz	RUUZIIZZMISQSC-CYBMUJFWSA-N	-1	3	333.436	0.459	40	0		ECABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCN2CCOCC2)s1	ZINC000223810158	436708615	/nfs/dbraw/zinc/70/86/15/436708615.db2.gz	KPPDTVLGOLQLIE-UHFFFAOYSA-N	-1	3	348.450	0.102	40	0		ECABHM
Cc1nc([C@@H]2COCCN2C(=O)CN2CCCCCC2=O)cc(=O)[n-]1	ZINC000257302266	436866286	/nfs/dbraw/zinc/86/62/86/436866286.db2.gz	SCFGFXSOTOTNOX-AWEZNQCLSA-N	-1	3	348.403	0.793	40	0		ECABHM
CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000013541654	545656412	/nfs/dbraw/zinc/65/64/12/545656412.db2.gz	DPURXCQCHSQPAN-YNEHKIRRSA-N	-1	3	325.409	0.426	40	0		ECABHM
O=C([O-])COc1ccccc1CN1CC[C@@H]2NC(=O)CO[C@H]2CC1	ZINC000257263311	304071610	/nfs/dbraw/zinc/07/16/10/304071610.db2.gz	LPGZHNOABCVYJK-ZFWWWQNUSA-N	-1	3	334.372	0.629	40	0		ECABHM
Cc1cc(C)n(CC(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257219220	244177611	/nfs/dbraw/zinc/17/76/11/244177611.db2.gz	DGBGGQGJLKDOQP-HNNXBMFYSA-N	-1	3	345.403	0.856	40	0		ECABHM
CC1(C)S[C@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003830607	435978331	/nfs/dbraw/zinc/97/83/31/435978331.db2.gz	HGBLNBBNRORJKI-YWVKMMECSA-N	-1	3	341.433	0.280	40	0	in-vitro	ECABHM
Cc1nc(N)[n-]c(=O)c1CCCNS(=O)(=O)c1ccc(N)cc1	ZINC000018182316	436105696	/nfs/dbraw/zinc/10/56/96/436105696.db2.gz	YNYYVZPSIPGHAI-UHFFFAOYSA-N	-1	3	337.405	0.154	40	0		ECABHM
O=C([O-])c1[nH]c(=O)n(C[C@@H]2CCCO2)c(=O)c1CN1CCCCC1	ZINC000222657005	436703672	/nfs/dbraw/zinc/70/36/72/436703672.db2.gz	SJSZDKJUIZUKLW-NSHDSACASA-N	-1	3	337.376	0.400	40	0		ECABHM
CCN1CC2(C1)CN(Cc1cccc(C(=O)[O-])c1)C[C@@H]1C[C@@H](O)CN12	ZINC000514288774	438813060	/nfs/dbraw/zinc/81/30/60/438813060.db2.gz	DYCLWHZMIJKYTA-DLBZAZTESA-N	-1	3	345.443	0.710	40	0	biogenic,in-vitro	ECABHM
CCN1CCN(CC(=O)N2CCOC[C@H]2c2cc(=O)[n-]c(C)n2)CC1	ZINC000257258253	244288471	/nfs/dbraw/zinc/28/84/71/244288471.db2.gz	KSZTUFYTRPYSGK-HNNXBMFYSA-N	-1	3	349.435	0.028	40	0		ECABHM
NC(=O)c1c(=O)[n-]c(=O)[nH]c1Nc1ccc(Br)cc1	ZINC000001699040	295168201	/nfs/dbraw/zinc/16/82/01/295168201.db2.gz	OZRYMOSCQMZMSW-UHFFFAOYSA-N	-1	3	325.122	0.668	40	0		ECABHM
NCC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000006575084	436000765	/nfs/dbraw/zinc/00/07/65/436000765.db2.gz	RQHFSIVXROIJHL-CYBMUJFWSA-N	-1	3	337.376	0.611	40	0		ECABHM
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])N2)CC1	ZINC000225765554	518808488	/nfs/dbraw/zinc/80/84/88/518808488.db2.gz	VNCPNGUHTSSZAI-WDEREUQCSA-N	-1	3	327.381	0.271	40	0		ECABHM
COC(=O)c1cc(=O)[n-]c2c1c(=O)[nH]c(=O)n2Cc1ccccc1	ZINC000020635919	202051138	/nfs/dbraw/zinc/05/11/38/202051138.db2.gz	YCNMXGDYBPRFSK-UHFFFAOYSA-N	-1	3	327.296	0.213	40	0		ECABHM
O=c1cc([C@H]2CCN(Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1	ZINC000072394672	203213445	/nfs/dbraw/zinc/21/34/45/203213445.db2.gz	MAZGWJDNJYFNPY-AWEZNQCLSA-N	-1	3	341.415	0.991	40	0		ECABHM
Cn1c2[n-]c(SCCN3CCOCC3)nc2c(=S)n(C)c1=O	ZINC000001638341	435962312	/nfs/dbraw/zinc/96/23/12/435962312.db2.gz	XHNSOGDMSSHQFY-UHFFFAOYSA-N	-1	3	341.462	0.754	40	0		ECABHM
CN(C)C(=O)CN1C[C@@H]2CN(c3ccccn3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064237	436509203	/nfs/dbraw/zinc/50/92/03/436509203.db2.gz	MKPCAFZWNCWKOQ-KDOFPFPSSA-N	-1	3	346.431	0.773	40	0		ECABHM
CCCn1[n-]cc/c1=N\C(=O)CN1CCN(c2cnccn2)CC1	ZINC000102781884	436552135	/nfs/dbraw/zinc/55/21/35/436552135.db2.gz	FPBXHJRMFROVLK-XSFVSMFZSA-N	-1	3	329.408	0.266	40	0		ECABHM
O=C(CN1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1)N1CCCCC1	ZINC000257307543	436867801	/nfs/dbraw/zinc/86/78/01/436867801.db2.gz	SZDQMBXOSCGXBR-CQSZACIVSA-N	-1	3	334.420	0.686	40	0		ECABHM
O=C(c1cnc[n-]c1=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1	ZINC000257315794	436869661	/nfs/dbraw/zinc/86/96/61/436869661.db2.gz	VCUFERWORFLAIU-HZPDHXFCSA-N	-1	3	340.383	0.426	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257316095	436870382	/nfs/dbraw/zinc/87/03/82/436870382.db2.gz	VEBZSMFULDZMPR-HNNXBMFYSA-N	-1	3	345.403	0.937	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000100775360	219106677	/nfs/dbraw/zinc/10/66/77/219106677.db2.gz	VRWZLFVPHZTUAR-YHQUGGNUSA-N	-1	3	341.452	0.872	40	0		ECABHM
CCc1nccn1CC(=O)N1CCO[C@@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257276611	244394547	/nfs/dbraw/zinc/39/45/47/244394547.db2.gz	NUMFQSDOIRGKFJ-CYBMUJFWSA-N	-1	3	331.376	0.850	40	0		ECABHM
O=C(Cc1ccc(F)cc1)NCc1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000019333430	436108250	/nfs/dbraw/zinc/10/82/50/436108250.db2.gz	HSSFILMIYWOYGT-UHFFFAOYSA-N	-1	3	346.362	0.605	40	0		ECABHM
COc1ccc(CN2CC[C@@]3(C2)Cn2c(=O)c([O-])nnc2CO3)cc1	ZINC000306142874	437166745	/nfs/dbraw/zinc/16/67/45/437166745.db2.gz	XNBXFIJRUFSBTI-QGZVFWFLSA-N	-1	3	344.371	0.115	40	0		ECABHM
COc1ccc(CN2CC[C@@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)cc1	ZINC000306142874	437166751	/nfs/dbraw/zinc/16/67/51/437166751.db2.gz	XNBXFIJRUFSBTI-QGZVFWFLSA-N	-1	3	344.371	0.115	40	0		ECABHM
Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c([O-])nnc2CO3)c1	ZINC000306142916	437167332	/nfs/dbraw/zinc/16/73/32/437167332.db2.gz	XOBPWMOVJNZHCG-QGZVFWFLSA-N	-1	3	328.372	0.415	40	0		ECABHM
Cc1cccc(CN2CC[C@@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)c1	ZINC000306142916	437167336	/nfs/dbraw/zinc/16/73/36/437167336.db2.gz	XOBPWMOVJNZHCG-QGZVFWFLSA-N	-1	3	328.372	0.415	40	0		ECABHM
Cc1ccsc1CN1CC[C@]2(C1)Cn1c(nnc([O-])c1=O)CO2	ZINC000306132315	437168698	/nfs/dbraw/zinc/16/86/98/437168698.db2.gz	LEZUTMODNDJCLZ-HNNXBMFYSA-N	-1	3	334.401	0.476	40	0		ECABHM
Cc1ccsc1CN1CC[C@]2(C1)Cn1c(n[n-]c(=O)c1=O)CO2	ZINC000306132315	437168701	/nfs/dbraw/zinc/16/87/01/437168701.db2.gz	LEZUTMODNDJCLZ-HNNXBMFYSA-N	-1	3	334.401	0.476	40	0		ECABHM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CN(CC(C)C)CCO1	ZINC000331261124	437728681	/nfs/dbraw/zinc/72/86/81/437728681.db2.gz	KZDOPCTYKCBOSQ-LLVKDONJSA-N	-1	3	332.426	0.200	40	0		ECABHM
O=C([O-])CCC(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1	ZINC000072369450	216175939	/nfs/dbraw/zinc/17/59/39/216175939.db2.gz	CUGKVVIWZXSIKD-GOSISDBHSA-N	-1	3	332.400	0.873	40	0		ECABHM
CC(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)CC1	ZINC000257219874	244180464	/nfs/dbraw/zinc/18/04/64/244180464.db2.gz	DIOLYZMIEPNQOP-IAGOWNOFSA-N	-1	3	348.399	0.820	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)c3cnc(N(C)C)nc3)CCO2)cc(=O)[n-]1	ZINC000257252735	244272178	/nfs/dbraw/zinc/27/21/78/244272178.db2.gz	JVYTXLHBBXQJLX-CYBMUJFWSA-N	-1	3	344.375	0.560	40	0		ECABHM
Cc1nc(C(=O)N(CCO)C[C@@H](O)COc2ccccc2)cc(=O)[n-]1	ZINC000257319048	244512041	/nfs/dbraw/zinc/51/20/41/244512041.db2.gz	VQLBCPLDXQXAME-CYBMUJFWSA-N	-1	3	347.371	0.365	40	0		ECABHM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3)[n-]c(=O)c2C1	ZINC000257342942	286668475	/nfs/dbraw/zinc/66/84/75/286668475.db2.gz	ZQRVYMOUNDPEPI-GFCCVEGCSA-N	-1	3	326.422	0.705	40	0		ECABHM
Cc1cc(=O)[n-]c(N2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)n1	ZINC000072341814	436042100	/nfs/dbraw/zinc/04/21/00/436042100.db2.gz	RUUZIIZZMISQSC-ZDUSSCGKSA-N	-1	3	333.436	0.459	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000107200961	436608299	/nfs/dbraw/zinc/60/82/99/436608299.db2.gz	ZEXUHORALXQADA-GDBMZVCRSA-N	-1	3	349.406	0.527	40	0		ECABHM
CCc1nccn1CC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257288302	436864764	/nfs/dbraw/zinc/86/47/64/436864764.db2.gz	PTRCGGQPKBLZDU-AWEZNQCLSA-N	-1	3	345.403	0.801	40	0		ECABHM
CN1C(=O)C[C@H]([N-]S(=O)(=O)CCC2Cc3ccccc3C2)C1=O	ZINC000329855075	437422558	/nfs/dbraw/zinc/42/25/58/437422558.db2.gz	TVJUUEXIJILDIK-AWEZNQCLSA-N	-1	3	336.413	0.468	40	0		ECABHM
CCCS(=O)(=O)[N-][C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O	ZINC000514289066	438812819	/nfs/dbraw/zinc/81/28/19/438812819.db2.gz	QIRKUUCTUASSHM-SDDRHHMPSA-N	-1	3	342.408	0.175	40	0	biogenic,in-vitro	ECABHM
COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000036182618	213075579	/nfs/dbraw/zinc/07/55/79/213075579.db2.gz	LMZMFSXIKJZMEC-UHFFFAOYSA-N	-1	3	342.402	0.984	40	0		ECABHM
O=C(CN1CCCCC1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257214385	244159529	/nfs/dbraw/zinc/15/95/29/244159529.db2.gz	CLTVNRFEHVLTSE-HNNXBMFYSA-N	-1	3	334.420	0.828	40	0		ECABHM
Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257241757	244244473	/nfs/dbraw/zinc/24/44/73/244244473.db2.gz	HZMGOBMLDFDPMW-ZDUSSCGKSA-N	-1	3	345.403	0.782	40	0		ECABHM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(Cc2cnn3cccnc23)C1	ZINC000257251577	244269818	/nfs/dbraw/zinc/26/98/18/244269818.db2.gz	JRHIHGTZRXGVJD-NSHDSACASA-N	-1	3	346.416	0.845	40	0		ECABHM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(Cc2cnn3cccnc23)C1	ZINC000257251577	244269822	/nfs/dbraw/zinc/26/98/22/244269822.db2.gz	JRHIHGTZRXGVJD-NSHDSACASA-N	-1	3	346.416	0.845	40	0		ECABHM
COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1	ZINC000019590233	212049384	/nfs/dbraw/zinc/04/93/84/212049384.db2.gz	IVTMLBPCYUCPSD-GFCCVEGCSA-N	-1	3	334.420	0.913	40	0		ECABHM
CC(C)=C1N=C2[N-]C(=O)C[C@H](C(=O)NCCc3ccccc3)N2N1	ZINC000010152905	211150149	/nfs/dbraw/zinc/15/01/49/211150149.db2.gz	OIWLUYADLPROFR-CYBMUJFWSA-N	-1	3	327.388	0.661	40	0		ECABHM
C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000002560953	435968902	/nfs/dbraw/zinc/96/89/02/435968902.db2.gz	ZVWXMTTZJKBJCI-BHDSKKPTSA-N	-1	3	346.387	0.132	40	0		ECABHM
Cc1ccc(C(=O)N2CCN3C[C@@H](C(=O)[O-])CN(C)C[C@H]3C2)cc1F	ZINC000248144380	436801502	/nfs/dbraw/zinc/80/15/02/436801502.db2.gz	RJVSBAFVMKBKPY-GJZGRUSLSA-N	-1	3	349.406	0.907	40	0		ECABHM
COCC(=O)NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1	ZINC000575403342	438748009	/nfs/dbraw/zinc/74/80/09/438748009.db2.gz	IGMIITIFTHXQJU-ZDUSSCGKSA-N	-1	3	348.399	0.776	40	0		ECABHM
O=C([O-])[C@H](CC(=O)NCCN1CCOCC1)NCc1ccccc1	ZINC000019201984	212004466	/nfs/dbraw/zinc/00/44/66/212004466.db2.gz	GVTWHHFZLGQZKC-HNNXBMFYSA-N	-1	3	335.404	0.068	40	0		ECABHM
O=C1[N-]n2c(=O)c3cnc4ncnn4c3cc2[C@@H](c2ccccc2)N1	ZINC000022606855	436118975	/nfs/dbraw/zinc/11/89/75/436118975.db2.gz	KBEBWXQIJSKDKP-CYBMUJFWSA-N	-1	3	333.311	0.795	40	0		ECABHM
CN1C[C@H]2CN(C(=O)Cc3ccccc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000096088908	436511849	/nfs/dbraw/zinc/51/18/49/436511849.db2.gz	DLFWIXAGJDJEGQ-CVEARBPZSA-N	-1	3	331.416	0.388	40	0		ECABHM
Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257303121	436865431	/nfs/dbraw/zinc/86/54/31/436865431.db2.gz	SFVONLQSLVUAFT-CQSZACIVSA-N	-1	3	331.376	0.904	40	0		ECABHM
CC(C)NC(=O)[C@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575404285	438747941	/nfs/dbraw/zinc/74/79/41/438747941.db2.gz	LFIUYQWPBDAPPS-OAHLLOKOSA-N	-1	3	347.415	0.442	40	0		ECABHM
Cc1nonc1CC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257244780	244252877	/nfs/dbraw/zinc/25/28/77/244252877.db2.gz	IMSKXIBGYLHFNH-GFCCVEGCSA-N	-1	3	333.348	0.276	40	0		ECABHM
O=C(CCN1CCCC1=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257234787	244225805	/nfs/dbraw/zinc/22/58/05/244225805.db2.gz	GVCQNFFLYHIKBZ-AWEZNQCLSA-N	-1	3	348.403	0.355	40	0		ECABHM
CN1CCC(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)CC1	ZINC000257238074	244235971	/nfs/dbraw/zinc/23/59/71/244235971.db2.gz	HJLSTHAOZXFGDQ-HZPDHXFCSA-N	-1	3	348.399	0.677	40	0		ECABHM
O=C(CN1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1)N1CCCCC1	ZINC000257325885	436871665	/nfs/dbraw/zinc/87/16/65/436871665.db2.gz	WUWPNEGXQJXCPW-HNNXBMFYSA-N	-1	3	334.420	0.828	40	0		ECABHM
Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(=O)c([O-])nnc2CO3)c1	ZINC000306131693	437167921	/nfs/dbraw/zinc/16/79/21/437167921.db2.gz	KMTRFHZMNTXYPU-SFHVURJKSA-N	-1	3	342.399	0.723	40	0		ECABHM
Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)c1	ZINC000306131693	437167924	/nfs/dbraw/zinc/16/79/24/437167924.db2.gz	KMTRFHZMNTXYPU-SFHVURJKSA-N	-1	3	342.399	0.723	40	0		ECABHM
CCc1nnsc1C(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257227603	535866799	/nfs/dbraw/zinc/86/67/99/535866799.db2.gz	FQBMICBRIJWVPP-JTQLQIEISA-N	-1	3	349.416	0.927	40	0		ECABHM
Cc1nonc1CC(=O)N1CC[C@H](c2cc(=O)[n-]c(N(C)C)n2)C1	ZINC000012367394	211357686	/nfs/dbraw/zinc/35/76/86/211357686.db2.gz	SYZRYVJPDYDPHP-JTQLQIEISA-N	-1	3	332.364	0.498	40	0		ECABHM
C[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C	ZINC000011677077	211233908	/nfs/dbraw/zinc/23/39/08/211233908.db2.gz	IVBOUFAWPCPFTQ-JGVFFNPUSA-N	-1	3	331.438	0.082	40	0	endogenous,in-man	ECABHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1ccc(OC)cc1	ZINC000001575181	276437786	/nfs/dbraw/zinc/43/77/86/276437786.db2.gz	YOKSHKUGQAOYFW-YPMHNXCESA-N	-1	3	346.339	0.927	40	0		ECABHM
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000137293324	436658435	/nfs/dbraw/zinc/65/84/35/436658435.db2.gz	PSRISUFDCRHTER-UHFFFAOYSA-N	-1	3	347.462	0.384	40	0		ECABHM
Cc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c([O-])nnc2CO3)c1	ZINC000306142915	437167273	/nfs/dbraw/zinc/16/72/73/437167273.db2.gz	XOBPWMOVJNZHCG-KRWDZBQOSA-N	-1	3	328.372	0.415	40	0		ECABHM
Cc1cccc(CN2CC[C@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)c1	ZINC000306142915	437167278	/nfs/dbraw/zinc/16/72/78/437167278.db2.gz	XOBPWMOVJNZHCG-KRWDZBQOSA-N	-1	3	328.372	0.415	40	0		ECABHM
COCC(=O)NC[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575406962	438747907	/nfs/dbraw/zinc/74/79/07/438747907.db2.gz	ZOTQNWITBFEXGF-CQSZACIVSA-N	-1	3	344.371	0.548	40	0		ECABHM
CCOc1ccccc1N1C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C1=O	ZINC000100855950	219108687	/nfs/dbraw/zinc/10/86/87/219108687.db2.gz	MCFGSGOPVBMRDY-SKDRFNHKSA-N	-1	3	338.385	0.862	40	0		ECABHM
COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000036182615	213075585	/nfs/dbraw/zinc/07/55/85/213075585.db2.gz	WTBCFEWMZAOFIR-UHFFFAOYSA-N	-1	3	342.402	0.984	40	0		ECABHM
O=C([O-])[C@@H]1CN2CCN(C(=O)C3CC3)C[C@@H]2CN(Cc2ccco2)C1	ZINC000096184954	304133613	/nfs/dbraw/zinc/13/36/13/304133613.db2.gz	BNDWUFUZBSRYPN-GJZGRUSLSA-N	-1	3	347.415	0.719	40	0		ECABHM
Cc1nc(C)c(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)[n-]1	ZINC000019937461	212086994	/nfs/dbraw/zinc/08/69/94/212086994.db2.gz	URHDWTHDWQQZSF-UHFFFAOYSA-N	-1	3	336.373	0.215	40	0		ECABHM
CC(C)(C)CC(=O)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1	ZINC000514290335	257845645	/nfs/dbraw/zinc/84/56/45/257845645.db2.gz	XVUODRUYOLAASX-MNOVXSKESA-N	-1	3	339.417	0.768	40	0	biogenic,in-vitro	ECABHM
Cc1nc(N2CCC[C@H](NC(=O)CN3CCCC3)C2)[n-]c(=O)c1C	ZINC000012743215	436052925	/nfs/dbraw/zinc/05/29/25/436052925.db2.gz	ALFSPRCELYPNGJ-AWEZNQCLSA-N	-1	3	333.436	0.568	40	0		ECABHM
Cc1nccn1CC(=O)N1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257295723	436864498	/nfs/dbraw/zinc/86/44/98/436864498.db2.gz	QZPPOCQPJWIOGV-LLVKDONJSA-N	-1	3	337.405	0.334	40	0		ECABHM
Cc1nccn1CC(=O)N1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257295723	436864501	/nfs/dbraw/zinc/86/45/01/436864501.db2.gz	QZPPOCQPJWIOGV-LLVKDONJSA-N	-1	3	337.405	0.334	40	0		ECABHM
CN(C)c1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CCN(C)CC2)cc1	ZINC000022461938	212297833	/nfs/dbraw/zinc/29/78/33/212297833.db2.gz	SEVDQMYFTYVFLK-HNNXBMFYSA-N	-1	3	334.420	0.782	40	0		ECABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@H](CO)CSC(C)C	ZINC000001757743	435961803	/nfs/dbraw/zinc/96/18/03/435961803.db2.gz	MDIBJSAIUYBAFF-ORAHPGNNSA-N	-1	3	327.406	0.004	40	0		ECABHM
O=C([N-]c1nc(NC(=O)C(F)(F)F)nc2nncn21)C(F)(F)F	ZINC000006253033	435996536	/nfs/dbraw/zinc/99/65/36/435996536.db2.gz	IOWFQUYIXOMXNV-UHFFFAOYSA-N	-1	3	343.147	0.521	40	0		ECABHM
CN1CC[C@@]2(CN(C(=O)c3cc(=O)[n-]cn3)CC(F)(F)C2)C1=O	ZINC000585093181	439628318	/nfs/dbraw/zinc/62/83/18/439628318.db2.gz	HUTSVDYYKIFYNF-CYBMUJFWSA-N	-1	3	326.303	0.512	40	0		ECABHM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(Cc2cnn3cccnc23)C1	ZINC000257251576	244271145	/nfs/dbraw/zinc/27/11/45/244271145.db2.gz	JRHIHGTZRXGVJD-LLVKDONJSA-N	-1	3	346.416	0.845	40	0		ECABHM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(Cc2cnn3cccnc23)C1	ZINC000257251576	244271147	/nfs/dbraw/zinc/27/11/47/244271147.db2.gz	JRHIHGTZRXGVJD-LLVKDONJSA-N	-1	3	346.416	0.845	40	0		ECABHM
Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccnc2)cc(=O)[n-]1	ZINC000257264008	244355600	/nfs/dbraw/zinc/35/56/00/244355600.db2.gz	LSLGSTWAWDFHLF-CYBMUJFWSA-N	-1	3	336.373	0.648	40	0		ECABHM
COc1ccccc1NC(=O)[C@H]1CC(=O)[N-]C2=NC(=C(C)C)NN21	ZINC000010152892	211149789	/nfs/dbraw/zinc/14/97/89/211149789.db2.gz	KTKTTZCGFHIMQZ-LLVKDONJSA-N	-1	3	329.360	0.950	40	0		ECABHM
CC(C)=C1N=C2[N-]C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N2N1	ZINC000014607189	436074348	/nfs/dbraw/zinc/07/43/48/436074348.db2.gz	BBURNCMMXTUJCD-SNVBAGLBSA-N	-1	3	343.343	0.670	40	0		ECABHM
CS(=O)(=O)N1C[C@@H]2CN(Cc3ccco3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064240	436508718	/nfs/dbraw/zinc/50/87/18/436508718.db2.gz	MJEVXUPMLQQVDT-WFASDCNBSA-N	-1	3	342.417	0.838	40	0		ECABHM
O=C(Cc1cccnc1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257298156	436867025	/nfs/dbraw/zinc/86/70/25/436867025.db2.gz	RKKQXFMSSGIMRR-CQSZACIVSA-N	-1	3	328.372	0.837	40	0		ECABHM
Cc1ccsc1CN1CC[C@@]2(C1)Cn1c(nnc([O-])c1=O)CO2	ZINC000306132316	437166633	/nfs/dbraw/zinc/16/66/33/437166633.db2.gz	LEZUTMODNDJCLZ-OAHLLOKOSA-N	-1	3	334.401	0.476	40	0		ECABHM
Cc1ccsc1CN1CC[C@@]2(C1)Cn1c(n[n-]c(=O)c1=O)CO2	ZINC000306132316	437166634	/nfs/dbraw/zinc/16/66/34/437166634.db2.gz	LEZUTMODNDJCLZ-OAHLLOKOSA-N	-1	3	334.401	0.476	40	0		ECABHM
CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000100778065	219106764	/nfs/dbraw/zinc/10/67/64/219106764.db2.gz	IQJRXFRWOGDJHL-NDBYEHHHSA-N	-1	3	327.425	0.482	40	0		ECABHM
Cc1ccc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)c([O-])c1	ZINC000000610751	209676010	/nfs/dbraw/zinc/67/60/10/209676010.db2.gz	BXSFPJQUWOOCDI-UHFFFAOYSA-N	-1	3	343.343	0.086	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)cc(=O)[n-]1	ZINC000257223205	244193087	/nfs/dbraw/zinc/19/30/87/244193087.db2.gz	DWJBEEGSDXJUNZ-CYBMUJFWSA-N	-1	3	332.364	0.462	40	0		ECABHM
Cc1cc(C)n(CC(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257219221	244179123	/nfs/dbraw/zinc/17/91/23/244179123.db2.gz	DGBGGQGJLKDOQP-OAHLLOKOSA-N	-1	3	345.403	0.856	40	0		ECABHM
COc1ccccc1NC(=O)[C@@H]1CC(=O)[N-]C2=NC(=C(C)C)NN21	ZINC000010152888	211150700	/nfs/dbraw/zinc/15/07/00/211150700.db2.gz	KTKTTZCGFHIMQZ-NSHDSACASA-N	-1	3	329.360	0.950	40	0		ECABHM
CC(=O)O[C@@H]1NC(=O)[N-]C(=O)C1(Br)Br	ZINC000001642636	277093773	/nfs/dbraw/zinc/09/37/73/277093773.db2.gz	ZXWRXJNZZZZHDP-BYPYZUCNSA-N	-1	3	329.932	0.201	40	0		ECABHM
CN1CCN(c2nc(CNC(=O)C3[C@@H]4CCCC[C@H]34)cc(=O)[n-]2)CC1	ZINC000019590109	436106599	/nfs/dbraw/zinc/10/65/99/436106599.db2.gz	KJVNTFGWZMDDQP-MZBDJJRSSA-N	-1	3	345.447	0.986	40	0		ECABHM
O=S(=O)(NCCc1nnc2ccc(=S)[n-]n21)c1ccccc1	ZINC000064864584	436650700	/nfs/dbraw/zinc/65/07/00/436650700.db2.gz	UALKRBPUKNQMRJ-UHFFFAOYSA-N	-1	3	335.414	0.934	40	0		ECABHM
Cc1cc(=O)[n-]c([C@@]2(C)CCCN2S(=O)(=O)c2cnn(C)c2)n1	ZINC000257278940	436862384	/nfs/dbraw/zinc/86/23/84/436862384.db2.gz	OEHYISHBYBULAC-CQSZACIVSA-N	-1	3	337.405	0.924	40	0		ECABHM
CCN(CC)S(=O)(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257291272	436863041	/nfs/dbraw/zinc/86/30/41/436863041.db2.gz	QGICMAOATVZVBK-LBPRGKRZSA-N	-1	3	344.437	0.260	40	0		ECABHM
O=C(CN1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1)N1CCCCC1	ZINC000257307542	436867847	/nfs/dbraw/zinc/86/78/47/436867847.db2.gz	SZDQMBXOSCGXBR-AWEZNQCLSA-N	-1	3	334.420	0.686	40	0		ECABHM
O=C(CN1CCO[C@H](CCc2cc(=O)[n-]cn2)C1)N1CCCCC1	ZINC000257325886	436872233	/nfs/dbraw/zinc/87/22/33/436872233.db2.gz	WUWPNEGXQJXCPW-OAHLLOKOSA-N	-1	3	334.420	0.828	40	0		ECABHM
COCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(C)C3)CC1	ZINC000019590734	212048299	/nfs/dbraw/zinc/04/82/99/212048299.db2.gz	DEVLRBSBRFRFHW-UHFFFAOYSA-N	-1	3	334.420	0.913	40	0		ECABHM
Cc1nn(C)cc1S(=O)(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F	ZINC000017066703	211947298	/nfs/dbraw/zinc/94/72/98/211947298.db2.gz	NHOZLPYZJQIJSG-SECBINFHSA-N	-1	3	326.300	0.750	40	0		ECABHM
O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NCCO	ZINC000006414299	435999633	/nfs/dbraw/zinc/99/96/33/435999633.db2.gz	PCEPLUIBKCNDSF-UHFFFAOYSA-N	-1	3	345.384	0.309	40	0		ECABHM
O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NCCO	ZINC000006414299	435999641	/nfs/dbraw/zinc/99/96/41/435999641.db2.gz	PCEPLUIBKCNDSF-UHFFFAOYSA-N	-1	3	345.384	0.309	40	0		ECABHM
O=C(c1cc[nH]n1)N1CCc2c(=O)[n-]c(N3CCCCC3)nc2C1	ZINC000012087590	436047436	/nfs/dbraw/zinc/04/74/36/436047436.db2.gz	WFDXSPLOKDIQRR-UHFFFAOYSA-N	-1	3	328.376	0.682	40	0		ECABHM
O=C(c1ccn[nH]1)N1CCc2c(=O)[n-]c(N3CCCCC3)nc2C1	ZINC000012087590	436047442	/nfs/dbraw/zinc/04/74/42/436047442.db2.gz	WFDXSPLOKDIQRR-UHFFFAOYSA-N	-1	3	328.376	0.682	40	0		ECABHM
C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019496983	436107835	/nfs/dbraw/zinc/10/78/35/436107835.db2.gz	UCPCBHSVGWENDS-VXGBXAGGSA-N	-1	3	347.419	0.462	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)Cc3ccccc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000248099250	436800575	/nfs/dbraw/zinc/80/05/75/436800575.db2.gz	DLFWIXAGJDJEGQ-JKSUJKDBSA-N	-1	3	331.416	0.388	40	0		ECABHM
O=C(CCn1ccnc1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257298544	436865298	/nfs/dbraw/zinc/86/52/98/436865298.db2.gz	RMEPKCNMTCXLHA-AWEZNQCLSA-N	-1	3	331.376	0.629	40	0		ECABHM
CN(C)C(=O)CO[C@@H]1CCOC2(CN(C(=O)c3cccc([O-])c3)C2)C1	ZINC000575406060	438747470	/nfs/dbraw/zinc/74/74/70/438747470.db2.gz	XGLFTMZGPUKBNJ-OAHLLOKOSA-N	-1	3	348.399	0.871	40	0		ECABHM
C[C@H]1CN(c2nc(CCCN3CCCC3=O)cc(=O)[n-]2)C[C@H](C)O1	ZINC000072391449	216190733	/nfs/dbraw/zinc/19/07/33/216190733.db2.gz	PFURBAUORFNDIE-STQMWFEESA-N	-1	3	334.420	0.939	40	0		ECABHM
Cc1nc(N2CCC[C@@H](NC(=O)CN3CCCC3)C2)[n-]c(=O)c1C	ZINC000012743200	436054297	/nfs/dbraw/zinc/05/42/97/436054297.db2.gz	ALFSPRCELYPNGJ-CQSZACIVSA-N	-1	3	333.436	0.568	40	0		ECABHM
COCCCn1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222654659	436703013	/nfs/dbraw/zinc/70/30/13/436703013.db2.gz	ZSAMGPHPJBLSJG-UHFFFAOYSA-N	-1	3	325.365	0.257	40	0		ECABHM
O=C(CCCn1cncn1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257337432	436874459	/nfs/dbraw/zinc/87/44/59/436874459.db2.gz	YSSRACZLASJYIW-ZDUSSCGKSA-N	-1	3	346.391	0.272	40	0		ECABHM
CC(C)c1cc(C(=O)N2CC[C@H](O)C2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000257275824	436862079	/nfs/dbraw/zinc/86/20/79/436862079.db2.gz	NRBMJDVJICRZNI-VIFPVBQESA-N	-1	3	332.360	0.364	40	0		ECABHM
O=C(CCCn1ccnc1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257317936	436870368	/nfs/dbraw/zinc/87/03/68/436870368.db2.gz	VLTZFEKTTGOPPB-CQSZACIVSA-N	-1	3	345.403	0.877	40	0		ECABHM
O=C(CCCn1cncn1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257204090	244128280	/nfs/dbraw/zinc/12/82/80/244128280.db2.gz	ASZVMUVUAZCSEJ-CQSZACIVSA-N	-1	3	346.391	0.414	40	0		ECABHM
Cc1nccn1CC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257226294	244200692	/nfs/dbraw/zinc/20/06/92/244200692.db2.gz	FKACXWGVRXDILR-AWEZNQCLSA-N	-1	3	331.376	0.547	40	0		ECABHM
O=C(CCN1CCCC1=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257234788	244227669	/nfs/dbraw/zinc/22/76/69/244227669.db2.gz	GVCQNFFLYHIKBZ-CQSZACIVSA-N	-1	3	348.403	0.355	40	0		ECABHM
Cc1nc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)cc(=O)[n-]1	ZINC000257277578	244399640	/nfs/dbraw/zinc/39/96/40/244399640.db2.gz	NYNHOBAMKIUYKQ-AWEZNQCLSA-N	-1	3	330.392	0.920	40	0		ECABHM
Cc1nc2c(c(=O)[n-]1)CN(CC(=O)Nc1ccc3c(c1)OCO3)CC2	ZINC000019576527	212044935	/nfs/dbraw/zinc/04/49/35/212044935.db2.gz	CVBDGXVDTYIZDY-UHFFFAOYSA-N	-1	3	342.355	0.804	40	0		ECABHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCO[C@H](Cc2ccccc2)C1	ZINC000331496100	296937047	/nfs/dbraw/zinc/93/70/47/296937047.db2.gz	RXNQMXYFWRNFKA-LLVKDONJSA-N	-1	3	330.344	0.554	40	0		ECABHM
CCOC(=O)c1[n-]c(=O)[nH]c1COC(=O)CNC(=O)c1ccccc1	ZINC000000033435	435949287	/nfs/dbraw/zinc/94/92/87/435949287.db2.gz	ZMBAUKSJHODSDO-UHFFFAOYSA-N	-1	3	347.327	0.353	40	0		ECABHM
Cc1cccc(Cn2[n-]cc/c2=N\C(=O)CN2CCC[C@H]2C(N)=O)c1	ZINC000104148332	436557260	/nfs/dbraw/zinc/55/72/60/436557260.db2.gz	VOZLKRDSBYVXQG-SSPLZPMDSA-N	-1	3	341.415	0.550	40	0		ECABHM
CN(C)C(=O)[C@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575405508	438747734	/nfs/dbraw/zinc/74/77/34/438747734.db2.gz	IQSOXPUITJICAS-CQSZACIVSA-N	-1	3	333.388	0.006	40	0		ECABHM
CCN1CCN(CC(=O)N2CCOC[C@@H]2c2cc(=O)[n-]c(C)n2)CC1	ZINC000257258254	244287111	/nfs/dbraw/zinc/28/71/11/244287111.db2.gz	KSZTUFYTRPYSGK-OAHLLOKOSA-N	-1	3	349.435	0.028	40	0		ECABHM
Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccnc2)cc(=O)[n-]1	ZINC000257264009	244356788	/nfs/dbraw/zinc/35/67/88/244356788.db2.gz	LSLGSTWAWDFHLF-ZDUSSCGKSA-N	-1	3	336.373	0.648	40	0		ECABHM
Cc1cc(=O)[n-]c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1	ZINC000072341813	254485007	/nfs/dbraw/zinc/48/50/07/254485007.db2.gz	XTQLYJOIUQBJDP-CQSZACIVSA-N	-1	3	333.436	0.601	40	0		ECABHM
CCOC(=O)[C@H]1C(=O)Nc2nc(N)[n-]c(=O)c2[C@H]1c1ccc(F)cc1	ZINC000008020391	436021042	/nfs/dbraw/zinc/02/10/42/436021042.db2.gz	PJDUXJHOZSQUTO-MWLCHTKSSA-N	-1	3	346.318	0.755	40	0		ECABHM
O=C([C@H]1CCCO1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367193	436051615	/nfs/dbraw/zinc/05/16/15/436051615.db2.gz	BWZYEEDEWVHCFJ-TZMCWYRMSA-N	-1	3	348.403	0.514	40	0		ECABHM
Cc1nc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)cc(=O)[n-]1	ZINC000257321555	436869465	/nfs/dbraw/zinc/86/94/65/436869465.db2.gz	WCEBQHVIAKQNAW-CYBMUJFWSA-N	-1	3	336.373	0.648	40	0		ECABHM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072377830	216179939	/nfs/dbraw/zinc/17/99/39/216179939.db2.gz	JGNLRMLBLPRUSX-GFCCVEGCSA-N	-1	3	349.420	0.954	40	0		ECABHM
CN1CCN([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000022592937	212307913	/nfs/dbraw/zinc/30/79/13/212307913.db2.gz	TZJNKODEDLRDFG-LBPRGKRZSA-N	-1	3	335.360	0.445	40	0		ECABHM
COc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222670778	241543186	/nfs/dbraw/zinc/54/31/86/241543186.db2.gz	OPUXQPHZNDFXGZ-UHFFFAOYSA-N	-1	3	345.355	0.828	40	0		ECABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1	ZINC000006706926	436002638	/nfs/dbraw/zinc/00/26/38/436002638.db2.gz	XDTKTMGVIGBNQT-UHFFFAOYSA-N	-1	3	325.390	0.396	40	0		ECABHM
O=C(CCn1ccnc1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257298545	436865496	/nfs/dbraw/zinc/86/54/96/436865496.db2.gz	RMEPKCNMTCXLHA-CQSZACIVSA-N	-1	3	331.376	0.629	40	0		ECABHM
Cc1cc(C)n(CC(=O)N2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257303120	436865524	/nfs/dbraw/zinc/86/55/24/436865524.db2.gz	SFVONLQSLVUAFT-AWEZNQCLSA-N	-1	3	331.376	0.904	40	0		ECABHM
O=C([O-])[C@@]12CN(c3nncs3)C[C@@H]1CN([C@@H]1CCOC1)CCC2	ZINC000096185242	304169231	/nfs/dbraw/zinc/16/92/31/304169231.db2.gz	DQKBRJBDOFCFHR-ZOWXZIJZSA-N	-1	3	338.433	0.930	40	0		ECABHM
CCOc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1	ZINC000016899833	436097076	/nfs/dbraw/zinc/09/70/76/436097076.db2.gz	VMFWVRBQXMHQAS-VXGBXAGGSA-N	-1	3	338.385	0.862	40	0		ECABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000223311756	241632207	/nfs/dbraw/zinc/63/22/07/241632207.db2.gz	VSRCFHZVDXACHM-UHFFFAOYSA-N	-1	3	337.401	0.756	40	0		ECABHM
O=C(c1cncc([O-])c1)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257217440	244171822	/nfs/dbraw/zinc/17/18/22/244171822.db2.gz	CYYHZEYQUJOHJC-QGZVFWFLSA-N	-1	3	335.404	0.477	40	0		ECABHM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)CCn2ccnc2)C1	ZINC000257271710	244379204	/nfs/dbraw/zinc/37/92/04/244379204.db2.gz	MZLOYRRTQIRRMB-LLVKDONJSA-N	-1	3	337.405	0.416	40	0		ECABHM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(C(=O)CCn2ccnc2)C1	ZINC000257271710	244379211	/nfs/dbraw/zinc/37/92/11/244379211.db2.gz	MZLOYRRTQIRRMB-LLVKDONJSA-N	-1	3	337.405	0.416	40	0		ECABHM
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000004899506	279187639	/nfs/dbraw/zinc/18/76/39/279187639.db2.gz	NHXZRXLFOBFMDM-AVGNSLFASA-N	-1	3	327.425	0.576	40	0		ECABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)N1CCCCC1	ZINC000019015027	436105833	/nfs/dbraw/zinc/10/58/33/436105833.db2.gz	JEHZWKRBNCMXGB-UHFFFAOYSA-N	-1	3	345.447	0.741	40	0		ECABHM
Cc1nnn2c1COC[C@@H](C[N-]S(=O)(=O)c1cccs1)C2	ZINC000096199329	436523082	/nfs/dbraw/zinc/52/30/82/436523082.db2.gz	VAOAKVJJHULDLU-JTQLQIEISA-N	-1	3	328.419	0.773	40	0		ECABHM
C[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2	ZINC000006002240	299224864	/nfs/dbraw/zinc/22/48/64/299224864.db2.gz	IUYZAAQRKMUTJR-BHOFYJQSSA-N	-1	3	338.404	0.805	40	0		ECABHM
O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257210319	244146162	/nfs/dbraw/zinc/14/61/62/244146162.db2.gz	BUBUAXNRSSZBGN-LLVKDONJSA-N	-1	3	343.387	0.725	40	0		ECABHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)N[C@@H](CO)CSC(C)C	ZINC000001757741	435962259	/nfs/dbraw/zinc/96/22/59/435962259.db2.gz	MDIBJSAIUYBAFF-YEZKRMTDSA-N	-1	3	327.406	0.004	40	0		ECABHM
O=C([C@@H]1CCOC1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367224	436049911	/nfs/dbraw/zinc/04/99/11/436049911.db2.gz	XSGQNXNWNBGYLY-QWHCGFSZSA-N	-1	3	348.403	0.371	40	0		ECABHM
Cc1nc2c(c(=O)[n-]1)CN(C(=O)CN1Cc3ccccc3C1=O)CC2	ZINC000012732754	436054377	/nfs/dbraw/zinc/05/43/77/436054377.db2.gz	BCOLZXWIZAKHEY-UHFFFAOYSA-N	-1	3	338.367	0.619	40	0		ECABHM
COC(=O)c1ccc(C(=O)NCCCc2c(C)nc(N)[n-]c2=O)cc1	ZINC000017039735	436097308	/nfs/dbraw/zinc/09/73/08/436097308.db2.gz	YBDVLPIGWQXSOK-UHFFFAOYSA-N	-1	3	344.371	0.810	40	0		ECABHM
CCOc1ccccc1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C1=O	ZINC000016899813	436098861	/nfs/dbraw/zinc/09/88/61/436098861.db2.gz	MCFGSGOPVBMRDY-BXKDBHETSA-N	-1	3	338.385	0.862	40	0		ECABHM
O=C(c1ccc([O-])cc1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC000096246523	436527891	/nfs/dbraw/zinc/52/78/91/436527891.db2.gz	KVOYTHLBPHJEII-CABCVRRESA-N	-1	3	326.356	0.912	40	0		ECABHM
Cc1cccc(CN2C[C@@H]3C[C@]3([N-]S(=O)(=O)c3cn(C)cn3)C2)n1	ZINC000096249239	436528609	/nfs/dbraw/zinc/52/86/09/436528609.db2.gz	IIRLNQFYONRWPR-BBRMVZONSA-N	-1	3	347.444	0.676	40	0		ECABHM
Cc1ccsc1C(=O)N1CCN2C[C@@H](C(=O)[O-])CN(C)C[C@H]2C1	ZINC000248152530	436800682	/nfs/dbraw/zinc/80/06/82/436800682.db2.gz	URALADYCARWWBG-STQMWFEESA-N	-1	3	337.445	0.829	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCOC[C@@H]2c2cc(=O)[n-]c(C)n2)n1	ZINC000257322520	436870949	/nfs/dbraw/zinc/87/09/49/436870949.db2.gz	WGHVDIUUUMRJNU-CQSZACIVSA-N	-1	3	331.376	0.986	40	0		ECABHM
CN1CC[C@]2(CN(C(=O)c3cc(=O)[n-]cn3)CC(F)(F)C2)C1=O	ZINC000585093182	439627228	/nfs/dbraw/zinc/62/72/28/439627228.db2.gz	HUTSVDYYKIFYNF-ZDUSSCGKSA-N	-1	3	326.303	0.512	40	0		ECABHM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(N)cc(=O)[n-]1	ZINC000049468814	214010126	/nfs/dbraw/zinc/01/01/26/214010126.db2.gz	RYFFDAUYZJVNAT-UHFFFAOYSA-N	-1	3	342.808	0.967	40	0		ECABHM
Cc1nc[nH]c1CN1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257222506	244189403	/nfs/dbraw/zinc/18/94/03/244189403.db2.gz	DTNVWHRORVHNDI-LLVKDONJSA-N	-1	3	325.394	0.418	40	0		ECABHM
Cc1nccc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257230609	244210133	/nfs/dbraw/zinc/21/01/33/244210133.db2.gz	GDBHJYZYDCXTFM-CYBMUJFWSA-N	-1	3	329.360	0.754	40	0		ECABHM
CC(C)=C1N=C2[N-]C(=O)C[C@@H](C(=O)NCCc3ccccc3)N2N1	ZINC000010152902	211150553	/nfs/dbraw/zinc/15/05/53/211150553.db2.gz	OIWLUYADLPROFR-ZDUSSCGKSA-N	-1	3	327.388	0.661	40	0		ECABHM
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000014827485	278999568	/nfs/dbraw/zinc/99/95/68/278999568.db2.gz	NHXZRXLFOBFMDM-AGIUHOORSA-N	-1	3	327.425	0.576	40	0		ECABHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1ccc(OC)cc1	ZINC000001575183	435959180	/nfs/dbraw/zinc/95/91/80/435959180.db2.gz	YOKSHKUGQAOYFW-DGCLKSJQSA-N	-1	3	346.339	0.927	40	0		ECABHM
CN1C[C@H]2CN(C(=O)Cc3ccccc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000096088907	436511838	/nfs/dbraw/zinc/51/18/38/436511838.db2.gz	DLFWIXAGJDJEGQ-HOTGVXAUSA-N	-1	3	331.416	0.388	40	0		ECABHM
O=C([O-])c1[nH]c(=O)n(Cc2ccco2)c(=O)c1CN1CCCCC1	ZINC000222656436	436703445	/nfs/dbraw/zinc/70/34/45/436703445.db2.gz	PAXWGBNCLHWLRZ-UHFFFAOYSA-N	-1	3	333.344	0.862	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000248164567	436800269	/nfs/dbraw/zinc/80/02/69/436800269.db2.gz	ZEXUHORALXQADA-GOEBONIOSA-N	-1	3	349.406	0.527	40	0		ECABHM
Cc1cnn(CC(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257289945	436864317	/nfs/dbraw/zinc/86/43/17/436864317.db2.gz	QAWHJXJHPYEHGO-AWEZNQCLSA-N	-1	3	331.376	0.547	40	0		ECABHM
Cc1nc([C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)cc(=O)[n-]1	ZINC000257326143	436873059	/nfs/dbraw/zinc/87/30/59/436873059.db2.gz	WWABLDRSLFZKPA-GFCCVEGCSA-N	-1	3	337.767	0.941	40	0		ECABHM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CN(CC(C)C)CCO1	ZINC000331261125	437728924	/nfs/dbraw/zinc/72/89/24/437728924.db2.gz	KZDOPCTYKCBOSQ-NSHDSACASA-N	-1	3	332.426	0.200	40	0		ECABHM
Nc1cc(=O)[n-]c(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1	ZINC000049468838	214010740	/nfs/dbraw/zinc/01/07/40/214010740.db2.gz	CMVVFSWBHXLMPN-UHFFFAOYSA-N	-1	3	348.428	0.922	40	0		ECABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000100775363	219106744	/nfs/dbraw/zinc/10/67/44/219106744.db2.gz	VRWZLFVPHZTUAR-BJJPWKGXSA-N	-1	3	341.452	0.872	40	0		ECABHM
Cc1ccsc1C(=O)N1CCN2C[C@H](C(=O)[O-])CN(C)C[C@@H]2C1	ZINC000096064112	436509236	/nfs/dbraw/zinc/50/92/36/436509236.db2.gz	URALADYCARWWBG-CHWSQXEVSA-N	-1	3	337.445	0.829	40	0		ECABHM
CN(C)C(=O)[C@@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575405506	438747453	/nfs/dbraw/zinc/74/74/53/438747453.db2.gz	IQSOXPUITJICAS-AWEZNQCLSA-N	-1	3	333.388	0.006	40	0		ECABHM
CN(C)c1ccc(NC(=O)C[C@H](C(=O)[O-])N2CCN(C)CC2)cc1	ZINC000022461944	212298115	/nfs/dbraw/zinc/29/81/15/212298115.db2.gz	SEVDQMYFTYVFLK-OAHLLOKOSA-N	-1	3	334.420	0.782	40	0		ECABHM
Cc1nccc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257230610	244211116	/nfs/dbraw/zinc/21/11/16/244211116.db2.gz	GDBHJYZYDCXTFM-ZDUSSCGKSA-N	-1	3	329.360	0.754	40	0		ECABHM
CN(C)c1cncc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)[n-]c2=O)n1	ZINC000257273324	244386942	/nfs/dbraw/zinc/38/69/42/244386942.db2.gz	NGCVJOFOPQXXLK-NSHDSACASA-N	-1	3	330.348	0.721	40	0		ECABHM
NS(=O)(=O)c1cc2c(c(Cl)c1Cl)NC[N-]S2(=O)=O	ZINC000035636705	295287426	/nfs/dbraw/zinc/28/74/26/295287426.db2.gz	BSNKBIJVLZUERH-UHFFFAOYSA-N	-1	3	332.190	0.302	40	0	in-vitro	ECABHM
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002004481	435960978	/nfs/dbraw/zinc/96/09/78/435960978.db2.gz	JAQGKXUEKGKTKX-HOTGVXAUSA-N	-1	3	344.367	0.780	40	0	endogenous,in-man	ECABHM
O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1cccnc1)CC2	ZINC000012117860	436048133	/nfs/dbraw/zinc/04/81/33/436048133.db2.gz	NACULGUJVBRCDR-UHFFFAOYSA-N	-1	3	327.388	0.560	40	0		ECABHM
CN1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C[C@H](C(=O)[O-])C1	ZINC000107200947	436608059	/nfs/dbraw/zinc/60/80/59/436608059.db2.gz	DRIIPUKQZJSGKJ-IAGOWNOFSA-N	-1	3	345.443	0.778	40	0		ECABHM
CCOc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c1=O	ZINC000222671956	436703045	/nfs/dbraw/zinc/70/30/45/436703045.db2.gz	NCLQXSQTIDZAAZ-UHFFFAOYSA-N	-1	3	333.344	0.684	40	0		ECABHM
Cc1nccn1CC(=O)N1CC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257295724	436863729	/nfs/dbraw/zinc/86/37/29/436863729.db2.gz	QZPPOCQPJWIOGV-NSHDSACASA-N	-1	3	337.405	0.334	40	0		ECABHM
Cc1nccn1CC(=O)N1CC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257295724	436863732	/nfs/dbraw/zinc/86/37/32/436863732.db2.gz	QZPPOCQPJWIOGV-NSHDSACASA-N	-1	3	337.405	0.334	40	0		ECABHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000255972395	244053587	/nfs/dbraw/zinc/05/35/87/244053587.db2.gz	FQYQMFCIJNWDQZ-RVMXOQNASA-N	-1	3	325.409	0.426	40	0		ECABHM
Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257235321	244225601	/nfs/dbraw/zinc/22/56/01/244225601.db2.gz	GXIKDXJUXUDTMI-OAHLLOKOSA-N	-1	3	345.403	0.984	40	0		ECABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)cc(=O)[n-]1	ZINC000012406468	211370431	/nfs/dbraw/zinc/37/04/31/211370431.db2.gz	DARSLBUTHDKEBM-LLVKDONJSA-N	-1	3	343.387	0.577	40	0		ECABHM
O=C([O-])c1cc2c(nc1N1CCOCC1)CCN([C@H]1CCOC1)CC2	ZINC000096189576	304228729	/nfs/dbraw/zinc/22/87/29/304228729.db2.gz	WOTWYPTWEIDUMG-AWEZNQCLSA-N	-1	3	347.415	0.806	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCOC[C@H]2c2cc(=O)[n-]c(C)n2)n1	ZINC000257322519	436870037	/nfs/dbraw/zinc/87/00/37/436870037.db2.gz	WGHVDIUUUMRJNU-AWEZNQCLSA-N	-1	3	331.376	0.986	40	0		ECABHM
CN(C)C(=O)COC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000306128580	437166026	/nfs/dbraw/zinc/16/60/26/437166026.db2.gz	HFKFPRCDZPLIPE-AWEZNQCLSA-N	-1	3	348.399	0.728	40	0		ECABHM
NC(=O)C[C@@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)[O-]	ZINC000218763901	241343884	/nfs/dbraw/zinc/34/38/84/241343884.db2.gz	BPYJWRPMSSQROP-CYBMUJFWSA-N	-1	3	329.360	0.507	40	0		ECABHM
Cc1ncncc1C(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257212629	244157461	/nfs/dbraw/zinc/15/74/61/244157461.db2.gz	CEHCJZKRPAKVDW-CYBMUJFWSA-N	-1	3	329.360	0.754	40	0		ECABHM
Cc1nn(C)cc1C(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257235979	244230352	/nfs/dbraw/zinc/23/03/52/244230352.db2.gz	HAIAGWFGZHDFBZ-ZDUSSCGKSA-N	-1	3	331.376	0.698	40	0		ECABHM
Cc1nccn1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257251085	244267929	/nfs/dbraw/zinc/26/79/29/244267929.db2.gz	JPIHYCXWKNLTSU-CYBMUJFWSA-N	-1	3	331.376	0.405	40	0		ECABHM
Cc1ncc(-c2cc(=O)[n-]c(NCCCN3CCOCC3)n2)c(C)n1	ZINC000019552626	212041079	/nfs/dbraw/zinc/04/10/79/212041079.db2.gz	JUQVJRFSYJSPPG-UHFFFAOYSA-N	-1	3	344.419	0.978	40	0		ECABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)cc(=O)[n-]1	ZINC000012406471	211369983	/nfs/dbraw/zinc/36/99/83/211369983.db2.gz	DARSLBUTHDKEBM-NSHDSACASA-N	-1	3	343.387	0.577	40	0		ECABHM
C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C	ZINC000011677069	211234402	/nfs/dbraw/zinc/23/44/02/211234402.db2.gz	IVBOUFAWPCPFTQ-YUMQZZPRSA-N	-1	3	331.438	0.082	40	0	endogenous,in-man	ECABHM
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](n2cc(Cl)c(=O)[n-]c2=O)C1	ZINC000257217765	275827501	/nfs/dbraw/zinc/82/75/01/275827501.db2.gz	DAMTWBSVGVWHTE-IUCAKERBSA-N	-1	3	331.756	0.755	40	0		ECABHM
Cc1cnn(CC(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257289946	436863310	/nfs/dbraw/zinc/86/33/10/436863310.db2.gz	QAWHJXJHPYEHGO-CQSZACIVSA-N	-1	3	331.376	0.547	40	0		ECABHM
Cc1ccn(CCC(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)n1	ZINC000257316096	436870763	/nfs/dbraw/zinc/87/07/63/436870763.db2.gz	VEBZSMFULDZMPR-OAHLLOKOSA-N	-1	3	345.403	0.937	40	0		ECABHM
CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575404284	438747936	/nfs/dbraw/zinc/74/79/36/438747936.db2.gz	LFIUYQWPBDAPPS-HNNXBMFYSA-N	-1	3	347.415	0.442	40	0		ECABHM
Cc1nccn1CC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257226295	244201659	/nfs/dbraw/zinc/20/16/59/244201659.db2.gz	FKACXWGVRXDILR-CQSZACIVSA-N	-1	3	331.376	0.547	40	0		ECABHM
CCc1nccn1CC(=O)N1CCO[C@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257276612	244395100	/nfs/dbraw/zinc/39/51/00/244395100.db2.gz	NUMFQSDOIRGKFJ-ZDUSSCGKSA-N	-1	3	331.376	0.850	40	0		ECABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)cc1	ZINC000222671703	436703264	/nfs/dbraw/zinc/70/32/64/436703264.db2.gz	DRNGRCRMDBLPHI-UHFFFAOYSA-N	-1	3	345.355	0.828	40	0		ECABHM
COc1ccc(CN(CCO)C(=O)c2cc(=O)[n-]c(N)n2)cc1OC	ZINC000257333682	436873541	/nfs/dbraw/zinc/87/35/41/436873541.db2.gz	YCPOYBOQWWZUAV-UHFFFAOYSA-N	-1	3	348.359	0.416	40	0		ECABHM
O=C(c1cnc[n-]c1=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257341292	436875651	/nfs/dbraw/zinc/87/56/51/436875651.db2.gz	ZJSNAECGBCSELA-CQSZACIVSA-N	-1	3	342.346	0.490	40	0		ECABHM
CN(C)C(=O)CO[C@H]1CCOC2(CN(C(=O)c3cccc([O-])c3)C2)C1	ZINC000575406059	438747884	/nfs/dbraw/zinc/74/78/84/438747884.db2.gz	XGLFTMZGPUKBNJ-HNNXBMFYSA-N	-1	3	348.399	0.871	40	0		ECABHM