smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(Nc1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000006859656	557727031	/nfs/dbraw/zinc/72/70/31/557727031.db2.gz	CTJUWNGKZMQRED-INIZCTEOSA-N	1	1	405.882	4.060	50	30		HIEAMO
CC[NH+]1CCN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)CC1	ZINC000033324485	559058267	/nfs/dbraw/zinc/05/82/67/559058267.db2.gz	JSSRWIBCNFWJLD-UHFFFAOYSA-N	1	1	412.877	4.181	50	30		HIEAMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000012733636	568923997	/nfs/dbraw/zinc/92/39/97/568923997.db2.gz	LGDRGUXJSSIXAI-UHFFFAOYSA-N	1	1	411.889	4.324	50	30		HIEAMO
CC[N@H+]1CCCC[C@H]1Cn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)s1	ZINC000065385973	568939126	/nfs/dbraw/zinc/93/91/26/568939126.db2.gz	SECAFTPWAMCLJA-FQEVSTJZSA-N	1	1	405.567	4.497	50	30		HIEAMO
O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F	ZINC000012752808	568941565	/nfs/dbraw/zinc/94/15/65/568941565.db2.gz	HAWUOPIISSKHON-OAQYLSRUSA-N	1	1	408.517	4.191	50	30		HIEAMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccc2c(c1)OCO2	ZINC000008156473	568978078	/nfs/dbraw/zinc/97/80/78/568978078.db2.gz	XDZWQLVCQZYUIB-CQSZACIVSA-N	1	1	411.527	4.076	50	30		HIEAMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccc2c(c1)OCO2	ZINC000008156473	568978080	/nfs/dbraw/zinc/97/80/80/568978080.db2.gz	XDZWQLVCQZYUIB-CQSZACIVSA-N	1	1	411.527	4.076	50	30		HIEAMO
O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1	ZINC000012200346	568994089	/nfs/dbraw/zinc/99/40/89/568994089.db2.gz	ATZDFBVBULQFGE-LJQANCHMSA-N	1	1	400.444	4.199	50	30		HIEAMO
CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012430959	568994992	/nfs/dbraw/zinc/99/49/92/568994992.db2.gz	AMFRTTGSVWNKSQ-MHZLTWQESA-N	1	1	419.565	4.197	50	30		HIEAMO
C=CCc1ccc(OCC[NH+]2CCN(c3nsc4ccccc43)CC2)c(OC)c1	ZINC000013727824	569000702	/nfs/dbraw/zinc/00/07/02/569000702.db2.gz	YGDFFDMCPVIFPD-UHFFFAOYSA-N	1	1	409.555	4.234	50	30		HIEAMO
C[C@H](CCc1ccco1)[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	ZINC000252694882	569320286	/nfs/dbraw/zinc/32/02/86/569320286.db2.gz	RFDZLHQISAXUIQ-WVMNAGHFSA-N	1	1	401.547	4.060	50	30		HIEAMO
C=CCOc1ccccc1C[N@H+]1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1	ZINC000014998520	845998124	/nfs/dbraw/zinc/99/81/24/845998124.db2.gz	DDUHJMLKYFCTFS-RUZDIDTESA-N	1	1	402.494	4.123	50	30		HIEAMO
C=CCOc1ccccc1C[N@@H+]1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1	ZINC000014998520	845998130	/nfs/dbraw/zinc/99/81/30/845998130.db2.gz	DDUHJMLKYFCTFS-RUZDIDTESA-N	1	1	402.494	4.123	50	30		HIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1	ZINC000035840481	518996321	/nfs/dbraw/zinc/99/63/21/518996321.db2.gz	PIEAHUXFFANFJS-RUZDIDTESA-N	1	1	408.517	4.241	50	30		HIEAMO
COc1ccc(-c2nc(-c3cccc(Cl)c3)nc(N3CC[NH+](C)CC3)c2C#N)cc1	ZINC000003104948	536504751	/nfs/dbraw/zinc/50/47/51/536504751.db2.gz	XVWOCZWZKFITPZ-UHFFFAOYSA-N	1	1	419.916	4.096	50	30		HIEAMO
C=C1[NH+]=C(SCc2ccccc2C#N)N[C@H](c2ccccc2OC)C1C(=O)OCC	ZINC000098086307	559064778	/nfs/dbraw/zinc/06/47/78/559064778.db2.gz	RWWWOVJNVDEFSY-OAQYLSRUSA-N	1	1	421.522	4.338	50	30		HIEAMO
C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(Cc2ccccc2)CC1	ZINC000058166885	568500461	/nfs/dbraw/zinc/50/04/61/568500461.db2.gz	FOOXHOVXLNPCQR-UHFFFAOYSA-N	1	1	413.359	4.215	50	30		HIEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccccc3)c2C1	ZINC000019889344	569433131	/nfs/dbraw/zinc/43/31/31/569433131.db2.gz	UVQRHVPNXOTCKL-UHFFFAOYSA-N	1	1	414.534	4.339	50	30		HIEAMO
C=CCOc1ccccc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCC[N@H+]13	ZINC000011873992	845839063	/nfs/dbraw/zinc/83/90/63/845839063.db2.gz	KLGXTOOGMGPBMS-YBXDKENTSA-N	1	1	418.537	4.198	50	30		HIEAMO
C[NH+]1CCN(N=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1	ZINC000254439798	854210944	/nfs/dbraw/zinc/21/09/44/854210944.db2.gz	WKSRGCPTKOPSBC-UHFFFAOYSA-N	1	1	415.537	4.426	50	30		HIEAMO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccc(OC)cc12	ZINC000034064560	121241007	/nfs/dbraw/zinc/24/10/07/121241007.db2.gz	OEVKPBVITQHUKQ-YXVKNGOVSA-N	1	1	415.557	4.114	50	30		HIEAMO
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)cc[nH+]2)CC1	ZINC000004869552	132291137	/nfs/dbraw/zinc/29/11/37/132291137.db2.gz	QUGUPISXZBBDOM-UHFFFAOYSA-N	1	1	410.525	4.260	50	30		HIEAMO
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000054061542	526786547	/nfs/dbraw/zinc/78/65/47/526786547.db2.gz	RBKZYTXTMPMNKQ-UHFFFAOYSA-N	1	1	408.889	4.101	50	30		HIEAMO
COc1ccc(C(=[NH2+])NOC(=O)CC(c2ccccc2)c2ccccc2)cc1OC	ZINC000004178306	557525418	/nfs/dbraw/zinc/52/54/18/557525418.db2.gz	GQGZDWHBCSUXJE-UHFFFAOYSA-N	1	1	404.466	4.090	50	30		HIEAMO
CCOc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1	ZINC000020410837	568605216	/nfs/dbraw/zinc/60/52/16/568605216.db2.gz	QIOZSWGHSBEEKO-MUPIXQSSSA-N	1	1	409.482	4.024	50	30		HIEAMO
CCOc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1	ZINC000020410837	568605217	/nfs/dbraw/zinc/60/52/17/568605217.db2.gz	QIOZSWGHSBEEKO-MUPIXQSSSA-N	1	1	409.482	4.024	50	30		HIEAMO
C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000225843427	568783383	/nfs/dbraw/zinc/78/33/83/568783383.db2.gz	HTVGQIQBXMIXQS-CYBMUJFWSA-N	1	1	402.951	4.359	50	30		HIEAMO
C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000225843427	568783384	/nfs/dbraw/zinc/78/33/84/568783384.db2.gz	HTVGQIQBXMIXQS-CYBMUJFWSA-N	1	1	402.951	4.359	50	30		HIEAMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccc2c(c1)OCO2	ZINC000008156472	568978030	/nfs/dbraw/zinc/97/80/30/568978030.db2.gz	XDZWQLVCQZYUIB-AWEZNQCLSA-N	1	1	411.527	4.076	50	30		HIEAMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccc2c(c1)OCO2	ZINC000008156472	568978032	/nfs/dbraw/zinc/97/80/32/568978032.db2.gz	XDZWQLVCQZYUIB-AWEZNQCLSA-N	1	1	411.527	4.076	50	30		HIEAMO
C=CCn1c2ccc(C)cc2cc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1=O	ZINC000020271817	569018745	/nfs/dbraw/zinc/01/87/45/569018745.db2.gz	QOQXTDOYSLUMPR-UHFFFAOYSA-N	1	1	407.945	4.472	50	30		HIEAMO
COc1cccc(/C=N/c2ccc(OC[C@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)c1O	ZINC000016608855	569060632	/nfs/dbraw/zinc/06/06/32/569060632.db2.gz	BDVWBPNTQNOQKA-LYNVPKIHSA-N	1	1	412.530	4.154	50	30		HIEAMO
C=C(C)CN(CC)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1	ZINC000015069950	846005419	/nfs/dbraw/zinc/00/54/19/846005419.db2.gz	NASWBBPKMNRSCM-UHFFFAOYSA-N	1	1	411.634	4.220	50	30		HIEAMO
C=C(C)CN(CC)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000015069950	846005422	/nfs/dbraw/zinc/00/54/22/846005422.db2.gz	NASWBBPKMNRSCM-UHFFFAOYSA-N	1	1	411.634	4.220	50	30		HIEAMO
COC(=O)c1ccc(C=NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000254765343	854213932	/nfs/dbraw/zinc/21/39/32/854213932.db2.gz	KWWWGENGLPHXOK-UHFFFAOYSA-N	1	1	413.521	4.214	50	30		HIEAMO
COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055100110	524303755	/nfs/dbraw/zinc/30/37/55/524303755.db2.gz	ZBJVBMWQPLDUEG-INIZCTEOSA-N	1	1	415.530	4.113	50	30		HIEAMO
COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055100110	524303761	/nfs/dbraw/zinc/30/37/61/524303761.db2.gz	ZBJVBMWQPLDUEG-INIZCTEOSA-N	1	1	415.530	4.113	50	30		HIEAMO
CC[NH+]=C(Nc1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O	ZINC000006386082	557700916	/nfs/dbraw/zinc/70/09/16/557700916.db2.gz	MLZLTYKARCXDGQ-LJQANCHMSA-N	1	1	411.527	4.165	50	30		HIEAMO
COc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1Br	ZINC000012560977	558428162	/nfs/dbraw/zinc/42/81/62/558428162.db2.gz	JHNJFCFIQBMPCY-OEAKJJBVSA-N	1	1	416.363	4.226	50	30		HIEAMO
N#Cc1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000023153882	559021726	/nfs/dbraw/zinc/02/17/26/559021726.db2.gz	VYUZQACVJQIDOX-UHFFFAOYSA-N	1	1	421.497	4.335	50	30		HIEAMO
N#Cc1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000023153882	559021728	/nfs/dbraw/zinc/02/17/28/559021728.db2.gz	VYUZQACVJQIDOX-UHFFFAOYSA-N	1	1	421.497	4.335	50	30		HIEAMO
COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3c[nH]c(C#N)c3)C2)cc1Cl	ZINC000095516930	568635081	/nfs/dbraw/zinc/63/50/81/568635081.db2.gz	NORQPWLOOLWXAS-OAHLLOKOSA-N	1	1	400.910	4.179	50	30		HIEAMO
CC[N@H+]1CCCC[C@@H]1Cn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)s1	ZINC000065385972	568939235	/nfs/dbraw/zinc/93/92/35/568939235.db2.gz	SECAFTPWAMCLJA-HXUWFJFHSA-N	1	1	405.567	4.497	50	30		HIEAMO
C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1nc(-c2cccnc2)nc2ccccc21	ZINC000252572606	569294504	/nfs/dbraw/zinc/29/45/04/569294504.db2.gz	ZMNDVRQLLJCYSE-IBGZPJMESA-N	1	1	420.520	4.274	50	30		HIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1	ZINC000035840484	518987776	/nfs/dbraw/zinc/98/77/76/518987776.db2.gz	PIEAHUXFFANFJS-VWLOTQADSA-N	1	1	408.517	4.241	50	30		HIEAMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1	ZINC000014200922	558636634	/nfs/dbraw/zinc/63/66/34/558636634.db2.gz	FVZKVDRHTNVDGR-VGOFRKELSA-N	1	1	410.564	4.263	50	30		HIEAMO
Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C	ZINC000022941962	558794885	/nfs/dbraw/zinc/79/48/85/558794885.db2.gz	JRDUGQVKIFYYIE-PXNSSMCTSA-N	1	1	402.633	4.440	50	30		HIEAMO
Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)c1C	ZINC000022941962	558794887	/nfs/dbraw/zinc/79/48/87/558794887.db2.gz	JRDUGQVKIFYYIE-PXNSSMCTSA-N	1	1	402.633	4.440	50	30		HIEAMO
COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1	ZINC000097095267	558991886	/nfs/dbraw/zinc/99/18/86/558991886.db2.gz	JDSBJGYTIYDWDC-HXUWFJFHSA-N	1	1	408.546	4.043	50	30		HIEAMO
CCCOc1ccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1	ZINC000057334285	568827114	/nfs/dbraw/zinc/82/71/14/568827114.db2.gz	VKLHCDLRPBVPTG-UHFFFAOYSA-N	1	1	402.498	4.324	50	30		HIEAMO
N#Cc1nc(COc2ccccc2Cl)oc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000054061544	569056879	/nfs/dbraw/zinc/05/68/79/569056879.db2.gz	FITISWJUEQZWMZ-UHFFFAOYSA-N	1	1	408.889	4.101	50	30		HIEAMO
CCOc1ccc(/C=C/c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1	ZINC000054151501	569059973	/nfs/dbraw/zinc/05/99/73/569059973.db2.gz	ZENFIEYEVOUZGW-JLHYYAGUSA-N	1	1	414.509	4.438	50	30		HIEAMO
C[C@H](CCc1ccco1)[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	ZINC000252694881	569320282	/nfs/dbraw/zinc/32/02/82/569320282.db2.gz	RFDZLHQISAXUIQ-HJLBSKEMSA-N	1	1	401.547	4.060	50	30		HIEAMO
C[N@@H+](CCCNC(=O)/C=C\c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000098003999	852650083	/nfs/dbraw/zinc/65/00/83/852650083.db2.gz	JZRSNILRSLDCQA-YPKPFQOOSA-N	1	1	400.526	4.206	50	30		HIEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036249858	518983103	/nfs/dbraw/zinc/98/31/03/518983103.db2.gz	RTZXILRZMDPBSP-NRFANRHFSA-N	1	1	413.562	4.107	50	30		HIEAMO
C[C@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl	ZINC000004985877	557620896	/nfs/dbraw/zinc/62/08/96/557620896.db2.gz	HAUCRSAQCWMFNW-JTQLQIEISA-N	1	1	401.677	4.472	50	30		HIEAMO
COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2c[nH]c(C#N)c2)C1	ZINC000095501075	568634929	/nfs/dbraw/zinc/63/49/29/568634929.db2.gz	SARKGDLJAPLCRK-OAHLLOKOSA-N	1	1	400.910	4.179	50	30		HIEAMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1	ZINC000036391729	569167290	/nfs/dbraw/zinc/16/72/90/569167290.db2.gz	FVZKVDRHTNVDGR-VGSWGCGISA-N	1	1	410.564	4.263	50	30		HIEAMO
C[C@H](CCc1ccco1)[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	ZINC000252694883	569320296	/nfs/dbraw/zinc/32/02/96/569320296.db2.gz	RFDZLHQISAXUIQ-XKCONVHOSA-N	1	1	401.547	4.060	50	30		HIEAMO
C=CCn1c(COc2ccccc2F)nnc1SCC[N@H+](C)Cc1ccccc1	ZINC000253433649	569370620	/nfs/dbraw/zinc/37/06/20/569370620.db2.gz	ZQYFUVSKUDAXBX-UHFFFAOYSA-N	1	1	412.534	4.406	50	30		HIEAMO
COc1cc(C=NN2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000254353021	854210294	/nfs/dbraw/zinc/21/02/94/854210294.db2.gz	SFBSKPOKOVFWGX-UHFFFAOYSA-N	1	1	408.329	4.162	50	30		HIEAMO
N#Cc1cccc(CN2CCCn3nc(C[N@H+]4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1	ZINC000072163789	559167104	/nfs/dbraw/zinc/16/71/04/559167104.db2.gz	CQZPUUWQUNXAFH-GOTSBHOMSA-N	1	1	403.574	4.173	50	30		HIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1	ZINC000102708333	560820784	/nfs/dbraw/zinc/82/07/84/560820784.db2.gz	LDSKNQUMBCLNKY-UKTJGKINSA-N	1	1	422.506	4.066	50	30		HIEAMO
CCOc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1	ZINC000020410835	568605265	/nfs/dbraw/zinc/60/52/65/568605265.db2.gz	QIOZSWGHSBEEKO-FKIZTMCRSA-N	1	1	409.482	4.024	50	30		HIEAMO
CCOc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1	ZINC000020410835	568605266	/nfs/dbraw/zinc/60/52/66/568605266.db2.gz	QIOZSWGHSBEEKO-FKIZTMCRSA-N	1	1	409.482	4.024	50	30		HIEAMO
O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1	ZINC000015067766	569004365	/nfs/dbraw/zinc/00/43/65/569004365.db2.gz	OTIKFPBOLJMUNU-OAQYLSRUSA-N	1	1	406.957	4.252	50	30		HIEAMO
COc1cc(C=NN2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1	ZINC000019790537	569357326	/nfs/dbraw/zinc/35/73/26/569357326.db2.gz	JOUYRPQDDQPXSH-UHFFFAOYSA-N	1	1	415.537	4.426	50	30		HIEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2	ZINC000014732448	845975270	/nfs/dbraw/zinc/97/52/70/845975270.db2.gz	BOTFIBBLFXUFKL-LJQANCHMSA-N	1	1	412.603	4.136	50	30		HIEAMO
N#Cc1c2c(c(NC3CCCCC3)nc1N1CCOCC1)C[N@@H+](C1CCCCC1)CC2	ZINC000005789239	132307972	/nfs/dbraw/zinc/30/79/72/132307972.db2.gz	ZZRLTCJZOJCIHC-UHFFFAOYSA-N	1	1	423.605	4.225	50	30		HIEAMO
C=CC[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccn1C)C1CCCC1	ZINC000036342441	518755290	/nfs/dbraw/zinc/75/52/90/518755290.db2.gz	HMNSGRQDPMSARC-HSZRJFAPSA-N	1	1	408.521	4.273	50	30		HIEAMO
C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1	ZINC000032909355	518763428	/nfs/dbraw/zinc/76/34/28/518763428.db2.gz	ZADQOECCNSYSBD-FQEVSTJZSA-N	1	1	405.542	4.409	50	30		HIEAMO
C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1	ZINC000032909355	518763431	/nfs/dbraw/zinc/76/34/31/518763431.db2.gz	ZADQOECCNSYSBD-FQEVSTJZSA-N	1	1	405.542	4.409	50	30		HIEAMO
C=CCn1c(=S)n(CN2CC[NH+](Cc3ccsc3)CC2)nc1-c1ccccc1	ZINC000022778046	519165318	/nfs/dbraw/zinc/16/53/18/519165318.db2.gz	IOFBHFRPICLUTD-UHFFFAOYSA-N	1	1	411.600	4.104	50	30		HIEAMO
C=C[C@](C)(O)C[N@@H+](CCC)Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1	ZINC000036206473	519305196	/nfs/dbraw/zinc/30/51/96/519305196.db2.gz	SCQLSHLABFTSHY-QHCPKHFHSA-N	1	1	411.571	4.417	50	30		HIEAMO
[NH2+]=C(NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1	ZINC000004394504	557551440	/nfs/dbraw/zinc/55/14/40/557551440.db2.gz	ZUHCQQRCRLVPAB-UHFFFAOYSA-N	1	1	407.270	4.473	50	30		HIEAMO
COc1cc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1	ZINC000019790538	558282478	/nfs/dbraw/zinc/28/24/78/558282478.db2.gz	JOUYRPQDDQPXSH-ZXVVBBHZSA-N	1	1	415.537	4.426	50	30		HIEAMO
C#CCOc1ccc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1	ZINC000072278480	558704840	/nfs/dbraw/zinc/70/48/40/558704840.db2.gz	BHJXWMCQJFMJNG-UHFFFAOYSA-N	1	1	416.525	4.431	50	30		HIEAMO
COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(C#N)c2)C1	ZINC000095501074	568635100	/nfs/dbraw/zinc/63/51/00/568635100.db2.gz	SARKGDLJAPLCRK-HNNXBMFYSA-N	1	1	400.910	4.179	50	30		HIEAMO
C=C(C)C[N@H+](CC)[C@H]1CCc2c(sc3ncn(CCCOC(C)C)c(=O)c32)C1	ZINC000015005221	569004122	/nfs/dbraw/zinc/00/41/22/569004122.db2.gz	AHQSLKZSHLKDSD-KRWDZBQOSA-N	1	1	403.592	4.028	50	30		HIEAMO
O=[N+]([O-])c1cccc(C=C2CCC(C=[NH+]Nc3ccccc3)=C2N2CCOCC2)c1	ZINC000252512159	854204921	/nfs/dbraw/zinc/20/49/21/854204921.db2.gz	NISKRIREXXWCNM-VMJWAYEFSA-N	1	1	404.470	4.456	50	30		HIEAMO
COc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(N3CC[NH+](C)CC3)c2C#N)cc1	ZINC000003105989	132262899	/nfs/dbraw/zinc/26/28/99/132262899.db2.gz	CBFCDLIRJVRIIP-UHFFFAOYSA-N	1	1	419.916	4.096	50	30		HIEAMO
C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[N@@H+](Cc1ccccc1)C3	ZINC000020814503	519083202	/nfs/dbraw/zinc/08/32/02/519083202.db2.gz	QVWOHWGCEWOTRI-UHFFFAOYSA-N	1	1	409.580	4.480	50	30		HIEAMO
C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[N@H+](Cc1ccccc1)C3	ZINC000020814503	519083209	/nfs/dbraw/zinc/08/32/09/519083209.db2.gz	QVWOHWGCEWOTRI-UHFFFAOYSA-N	1	1	409.580	4.480	50	30		HIEAMO
COc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1	ZINC000025329674	523491361	/nfs/dbraw/zinc/49/13/61/523491361.db2.gz	MTVLUKMEJBUQCQ-OEAKJJBVSA-N	1	1	416.363	4.226	50	30		HIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1	ZINC000004460036	558590356	/nfs/dbraw/zinc/59/03/56/558590356.db2.gz	OVRYDRJSCUBSHS-XMMPIXPASA-N	1	1	408.517	4.241	50	30		HIEAMO
COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N@H+](C)CC3)OCO2	ZINC000020113904	568589139	/nfs/dbraw/zinc/58/91/39/568589139.db2.gz	SFCDKHFGEPUQLE-AQKVLALTSA-N	1	1	404.466	4.107	50	30		HIEAMO
COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N@@H+](C)CC3)OCO2	ZINC000020113904	568589140	/nfs/dbraw/zinc/58/91/40/568589140.db2.gz	SFCDKHFGEPUQLE-AQKVLALTSA-N	1	1	404.466	4.107	50	30		HIEAMO
C=C(C)C[N@H+](CC)[C@@H]1CCc2c(sc3ncn(CCCOC(C)C)c(=O)c32)C1	ZINC000015005219	569004043	/nfs/dbraw/zinc/00/40/43/569004043.db2.gz	AHQSLKZSHLKDSD-QGZVFWFLSA-N	1	1	403.592	4.028	50	30		HIEAMO
COc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1Br	ZINC000244691696	569055078	/nfs/dbraw/zinc/05/50/78/569055078.db2.gz	JHNJFCFIQBMPCY-UHFFFAOYSA-N	1	1	416.363	4.226	50	30		HIEAMO
N#Cc1nc(-c2cccc3ccccc32)oc1N1CC[NH+](CCc2ccccn2)CC1	ZINC000170623756	569249899	/nfs/dbraw/zinc/24/98/99/569249899.db2.gz	ZZMQFWNXAXRXQH-UHFFFAOYSA-N	1	1	409.493	4.126	50	30		HIEAMO
CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12	ZINC000082094707	569403413	/nfs/dbraw/zinc/40/34/13/569403413.db2.gz	RMVUACYOVFEGNU-UHFFFAOYSA-N	1	1	422.481	4.291	50	30		HIEAMO
CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12	ZINC000082094707	569403415	/nfs/dbraw/zinc/40/34/15/569403415.db2.gz	RMVUACYOVFEGNU-UHFFFAOYSA-N	1	1	422.481	4.291	50	30		HIEAMO
Cc1c(C#N)c(N)sc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000019758272	569429487	/nfs/dbraw/zinc/42/94/87/569429487.db2.gz	OIDSIUPZEMYZPU-UHFFFAOYSA-N	1	1	416.550	4.058	50	30		HIEAMO
Cc1ccc(-c2nc(SCc3ccccc3)nc(N3CC[NH+](C)CC3)c2C#N)cc1	ZINC000001383231	132245352	/nfs/dbraw/zinc/24/53/52/132245352.db2.gz	UEZSYXJKHQVCPC-UHFFFAOYSA-N	1	1	415.566	4.368	50	30		HIEAMO
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)[nH+]2)CC1	ZINC000004889189	132291742	/nfs/dbraw/zinc/29/17/42/132291742.db2.gz	QXYCLHDTKLARHL-UHFFFAOYSA-N	1	1	410.525	4.260	50	30		HIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1	ZINC000020573514	522068390	/nfs/dbraw/zinc/06/83/90/522068390.db2.gz	OLZJHYLHYYAMEX-OXQOHEQNSA-N	1	1	422.506	4.222	50	30		HIEAMO
CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@@H]3CC[C@H]2[N@H+]3C)cc1	ZINC000017193591	558825224	/nfs/dbraw/zinc/82/52/24/558825224.db2.gz	MYNBPVFKCVOBPM-HPVAHFKZSA-N	1	1	401.554	4.331	50	30		HIEAMO
CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@@H]3CC[C@H]2[N@@H+]3C)cc1	ZINC000017193591	558825227	/nfs/dbraw/zinc/82/52/27/558825227.db2.gz	MYNBPVFKCVOBPM-HPVAHFKZSA-N	1	1	401.554	4.331	50	30		HIEAMO
C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000225843407	568783286	/nfs/dbraw/zinc/78/32/86/568783286.db2.gz	HTVGQIQBXMIXQS-ZDUSSCGKSA-N	1	1	402.951	4.359	50	30		HIEAMO
C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000225843407	568783289	/nfs/dbraw/zinc/78/32/89/568783289.db2.gz	HTVGQIQBXMIXQS-ZDUSSCGKSA-N	1	1	402.951	4.359	50	30		HIEAMO
Cc1c(C)n(-c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)c2nc[nH+]c(N)c12	ZINC000012512114	568840312	/nfs/dbraw/zinc/84/03/12/568840312.db2.gz	RLPVRQPDEHQOMZ-UHFFFAOYSA-N	1	1	400.398	4.192	50	30		HIEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccsc3)c2C1	ZINC000012950057	569405138	/nfs/dbraw/zinc/40/51/38/569405138.db2.gz	XYEVHDHICJNEPS-UHFFFAOYSA-N	1	1	420.563	4.400	50	30		HIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000019703257	569428733	/nfs/dbraw/zinc/42/87/33/569428733.db2.gz	OZEZSCLKRONVDV-IUSCBXDMSA-N	1	1	408.586	4.118	50	30		HIEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccsc1)C2	ZINC000014732449	845975729	/nfs/dbraw/zinc/97/57/29/845975729.db2.gz	BOTFIBBLFXUFKL-IBGZPJMESA-N	1	1	412.603	4.136	50	30		HIEAMO
C=C(C)C[N@H+](CC)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12	ZINC000055197890	518600773	/nfs/dbraw/zinc/60/07/73/518600773.db2.gz	ZKSSOBXODNCASM-UHFFFAOYSA-N	1	1	404.558	4.355	50	30		HIEAMO
C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1	ZINC000032909354	518761914	/nfs/dbraw/zinc/76/19/14/518761914.db2.gz	ZADQOECCNSYSBD-HXUWFJFHSA-N	1	1	405.542	4.409	50	30		HIEAMO
C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1	ZINC000032909354	518761919	/nfs/dbraw/zinc/76/19/19/518761919.db2.gz	ZADQOECCNSYSBD-HXUWFJFHSA-N	1	1	405.542	4.409	50	30		HIEAMO
C[N@@H+](CCCNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000040043406	522753897	/nfs/dbraw/zinc/75/38/97/522753897.db2.gz	JZRSNILRSLDCQA-BUHFOSPRSA-N	1	1	400.526	4.206	50	30		HIEAMO
CN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1	ZINC000055227616	523204582	/nfs/dbraw/zinc/20/45/82/523204582.db2.gz	ZBQLSELVYPUMKR-VWLOTQADSA-N	1	1	422.588	4.335	50	30		HIEAMO
CN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	ZINC000055227616	523204590	/nfs/dbraw/zinc/20/45/90/523204590.db2.gz	ZBQLSELVYPUMKR-VWLOTQADSA-N	1	1	422.588	4.335	50	30		HIEAMO
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000055227616	523204595	/nfs/dbraw/zinc/20/45/95/523204595.db2.gz	ZBQLSELVYPUMKR-VWLOTQADSA-N	1	1	422.588	4.335	50	30		HIEAMO
C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000055227616	523204603	/nfs/dbraw/zinc/20/46/03/523204603.db2.gz	ZBQLSELVYPUMKR-VWLOTQADSA-N	1	1	422.588	4.335	50	30		HIEAMO
O=[N+]([O-])c1cccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000020065134	558330396	/nfs/dbraw/zinc/33/03/96/558330396.db2.gz	VWIBXJATTNATIR-NCELDCMTSA-N	1	1	400.482	4.336	50	30		HIEAMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1	ZINC000108155844	560898163	/nfs/dbraw/zinc/89/81/63/560898163.db2.gz	AYUWBYOVTNSKMM-HOYKHHGWSA-N	1	1	403.530	4.073	50	30		HIEAMO
Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CC2=C(c3ccccc3)CCC2=O)C1	ZINC000670453193	568928674	/nfs/dbraw/zinc/92/86/74/568928674.db2.gz	KFWLBZXVVUFOFW-OAQYLSRUSA-N	1	1	402.538	4.107	50	30		HIEAMO
CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)c1	ZINC000012708638	568995814	/nfs/dbraw/zinc/99/58/14/568995814.db2.gz	UUTFZGARZAYLSG-DEOSSOPVSA-N	1	1	405.538	4.303	50	30		HIEAMO
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[N@@H+](C)C3	ZINC000019708323	569018364	/nfs/dbraw/zinc/01/83/64/569018364.db2.gz	SYOMAHSFWGOEFN-UHFFFAOYSA-N	1	1	411.596	4.357	50	30		HIEAMO
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[N@H+](C)C3	ZINC000019708323	569018365	/nfs/dbraw/zinc/01/83/65/569018365.db2.gz	SYOMAHSFWGOEFN-UHFFFAOYSA-N	1	1	411.596	4.357	50	30		HIEAMO
CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])c1ccc(Br)cc1	ZINC000004906765	569071675	/nfs/dbraw/zinc/07/16/75/569071675.db2.gz	LDSAMZAANUQCJM-UHFFFAOYSA-N	1	1	411.683	4.124	50	30		HIEAMO
C=CC[N@@H+]1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@H]1c1ccccc1	ZINC000034667417	518870364	/nfs/dbraw/zinc/87/03/64/518870364.db2.gz	CCTNGFHXCJNXJK-UQBPGWFLSA-N	1	1	416.521	4.497	50	30		HIEAMO
C=CC[N@@H+]1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccccc1	ZINC000034667415	518871377	/nfs/dbraw/zinc/87/13/77/518871377.db2.gz	CCTNGFHXCJNXJK-DFBJGRDBSA-N	1	1	416.521	4.497	50	30		HIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1	ZINC000020573512	522068588	/nfs/dbraw/zinc/06/85/88/522068588.db2.gz	OLZJHYLHYYAMEX-UZLBHIALSA-N	1	1	422.506	4.222	50	30		HIEAMO
N#CC(CCC[NH+]1CCN(/N=C/c2cccnc2)CC1)(c1ccccc1)c1ccccc1	ZINC000004423343	557554175	/nfs/dbraw/zinc/55/41/75/557554175.db2.gz	QFYKXKMYVYOUNJ-JBASAIQMSA-N	1	1	423.564	4.323	50	30	in-vitro	HIEAMO
C[C@@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](Cc5ccc(C#N)cc5)CC4)c23)C1	ZINC000012569391	568861345	/nfs/dbraw/zinc/86/13/45/568861345.db2.gz	KIFFDDFGRFQDTO-QGZVFWFLSA-N	1	1	417.582	4.400	50	30		HIEAMO
N#Cc1ccc(Cn2ccc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)cc4F)C3)n2)c(F)c1	ZINC000058004630	568873813	/nfs/dbraw/zinc/87/38/13/568873813.db2.gz	XCTOFBXZUPMCBG-OAQYLSRUSA-N	1	1	417.463	4.333	50	30		HIEAMO
C=C(C)C[NH+]1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn42)CCCC3)CC1	ZINC000002223766	569007113	/nfs/dbraw/zinc/00/71/13/569007113.db2.gz	HTAOWVGTTTUUON-UHFFFAOYSA-N	1	1	401.558	4.282	50	30		HIEAMO
Cc1c(C#N)c2nc3ccccc3n2c(NCCC[NH+]2CCOCC2)c1CCC(C)C	ZINC000019833848	569430933	/nfs/dbraw/zinc/43/09/33/569430933.db2.gz	URILDKZRWDEKEE-UHFFFAOYSA-N	1	1	419.573	4.390	50	30		HIEAMO
C#CC[N@@H+](Cc1ccco1)C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1	ZINC000023129347	518263034	/nfs/dbraw/zinc/26/30/34/518263034.db2.gz	ITLNCMUWDKNYEY-UHFFFAOYSA-N	1	1	405.542	4.056	50	30		HIEAMO
C=CC[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccn1C)C1CCCC1	ZINC000036342440	518755314	/nfs/dbraw/zinc/75/53/14/518755314.db2.gz	HMNSGRQDPMSARC-QHCPKHFHSA-N	1	1	408.521	4.273	50	30		HIEAMO
CCOc1ccc(C2N=NC(=S)N2N[NH+]=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000006871795	520823453	/nfs/dbraw/zinc/82/34/53/520823453.db2.gz	INWMRGTTZSHYGM-PXLXIMEGSA-N	1	1	410.547	4.056	50	30		HIEAMO
CC[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000025756904	568913883	/nfs/dbraw/zinc/91/38/83/568913883.db2.gz	FSJUEVABZCOMDI-HXUWFJFHSA-N	1	1	407.543	4.453	50	30		HIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1	ZINC000013594484	569000325	/nfs/dbraw/zinc/00/03/25/569000325.db2.gz	SXMJDSFQLMRDNK-RUZDIDTESA-N	1	1	411.973	4.280	50	30		HIEAMO
Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1F	ZINC000014957352	569004272	/nfs/dbraw/zinc/00/42/72/569004272.db2.gz	NFKIJFHTVCDVKQ-JOCHJYFZSA-N	1	1	404.464	4.231	50	30		HIEAMO
COc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1OCc1ccccc1	ZINC000019771562	569357353	/nfs/dbraw/zinc/35/73/53/569357353.db2.gz	HKCXBBVMGLCVKI-UHFFFAOYSA-N	1	1	415.537	4.426	50	30		HIEAMO
Cc1ccc(NC(=O)C[NH+]2CCC(COCc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000077191659	571312322	/nfs/dbraw/zinc/31/23/22/571312322.db2.gz	OIMQSPQWOCGWRV-UHFFFAOYSA-N	1	1	411.933	4.387	50	30		HIEAMO
O=[N+]([O-])c1cccc(C=C2CCC(C=[NH+]Nc3ccccc3)=C2N2CCOCC2)c1	ZINC000254897700	854215926	/nfs/dbraw/zinc/21/59/26/854215926.db2.gz	NISKRIREXXWCNM-ZOUBAHHOSA-N	1	1	404.470	4.456	50	30		HIEAMO
C=CC[N@@H+]1CCc2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2[C@H]1c1ccccc1	ZINC000034667418	518871239	/nfs/dbraw/zinc/87/12/39/518871239.db2.gz	CCTNGFHXCJNXJK-KBMIEXCESA-N	1	1	416.521	4.497	50	30		HIEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036249859	518992312	/nfs/dbraw/zinc/99/23/12/518992312.db2.gz	RTZXILRZMDPBSP-OAQYLSRUSA-N	1	1	413.562	4.107	50	30		HIEAMO
N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1	ZINC000032912918	526600690	/nfs/dbraw/zinc/60/06/90/526600690.db2.gz	AUINWKSOODOXDG-UHFFFAOYSA-N	1	1	410.521	4.128	50	30		HIEAMO
Nc1c(Cl)cc(C(=[NH2+])NOC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl	ZINC000012369070	558388832	/nfs/dbraw/zinc/38/88/32/558388832.db2.gz	SNQSDGFMKLEYBE-UHFFFAOYSA-N	1	1	423.178	4.343	50	30		HIEAMO
COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1	ZINC000097095268	558991911	/nfs/dbraw/zinc/99/19/11/558991911.db2.gz	JDSBJGYTIYDWDC-FQEVSTJZSA-N	1	1	408.546	4.043	50	30		HIEAMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1	ZINC000012306383	568994251	/nfs/dbraw/zinc/99/42/51/568994251.db2.gz	RRRFLODBTHEZJR-JOCHJYFZSA-N	1	1	421.585	4.340	50	30		HIEAMO
COc1ccccc1/C=C/c1nc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000054151494	569059957	/nfs/dbraw/zinc/05/99/57/569059957.db2.gz	XBDQMHPHQAARSZ-VAWYXSNFSA-N	1	1	400.482	4.047	50	30		HIEAMO
CCOc1cc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc(OCC)c1OCC	ZINC000004907015	569071661	/nfs/dbraw/zinc/07/16/61/569071661.db2.gz	NQZLTJKPCLGKIL-UHFFFAOYSA-N	1	1	406.866	4.013	50	30		HIEAMO
Cc1c(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cc(C#N)n1C	ZINC000072429758	569384239	/nfs/dbraw/zinc/38/42/39/569384239.db2.gz	KQWPBZWOJFFOIF-UHFFFAOYSA-N	1	1	417.479	4.254	50	30		HIEAMO
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCC[NH+]1CCOCC1	ZINC000019808133	569430442	/nfs/dbraw/zinc/43/04/42/569430442.db2.gz	YSSMMDVWYXLLGM-UHFFFAOYSA-N	1	1	405.546	4.144	50	30		HIEAMO
CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000019820663	569430810	/nfs/dbraw/zinc/43/08/10/569430810.db2.gz	TVZQTSUTYQWENV-UHFFFAOYSA-N	1	1	415.566	4.368	50	30		HIEAMO
N#Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000009752516	571284303	/nfs/dbraw/zinc/28/43/03/571284303.db2.gz	FPXLKMMHNSDJPG-UHFFFAOYSA-N	1	1	404.392	4.198	50	30		HIEAMO
C=CC[N@@H+]1CCc2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccccc1	ZINC000034667416	518870826	/nfs/dbraw/zinc/87/08/26/518870826.db2.gz	CCTNGFHXCJNXJK-CLOONOSVSA-N	1	1	416.521	4.497	50	30		HIEAMO
C=C[C@@](C)(O)C[N@@H+](CCC)Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1	ZINC000036206472	519298128	/nfs/dbraw/zinc/29/81/28/519298128.db2.gz	SCQLSHLABFTSHY-HSZRJFAPSA-N	1	1	411.571	4.417	50	30		HIEAMO
CCC[N@@H+]1CCc2c(sc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c23)C1	ZINC000020566012	519863998	/nfs/dbraw/zinc/86/39/98/519863998.db2.gz	JQGCHMGLYPLXHF-CVKSISIWSA-N	1	1	420.542	4.048	50	30		HIEAMO
CCC[N@H+]1CCc2c(sc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c23)C1	ZINC000020566012	519864000	/nfs/dbraw/zinc/86/40/00/519864000.db2.gz	JQGCHMGLYPLXHF-CVKSISIWSA-N	1	1	420.542	4.048	50	30		HIEAMO
[NH2+]=C(NOC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Cl)cc1	ZINC000004324014	557541334	/nfs/dbraw/zinc/54/13/34/557541334.db2.gz	FILVRDQLJRIGIO-UHFFFAOYSA-N	1	1	408.767	4.022	50	30		HIEAMO
O=[N+]([O-])c1ccccc1/C=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000019771713	558280282	/nfs/dbraw/zinc/28/02/82/558280282.db2.gz	DAZRAHOZBHAUML-NCELDCMTSA-N	1	1	400.482	4.336	50	30		HIEAMO
CCOc1ccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1	ZINC000022928348	558363898	/nfs/dbraw/zinc/36/38/98/558363898.db2.gz	DOMCOOGTMDHXLE-GCJKJVERSA-N	1	1	412.603	4.160	50	30		HIEAMO
CC[NH+]1CCN(c2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)CC1	ZINC000033027218	558849711	/nfs/dbraw/zinc/84/97/11/558849711.db2.gz	UTCRATRXRJMHEJ-UHFFFAOYSA-N	1	1	406.486	4.144	50	30		HIEAMO
COc1cccc(/C=N/c2ccc(OC[C@@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)c1O	ZINC000004754069	559050605	/nfs/dbraw/zinc/05/06/05/559050605.db2.gz	BDVWBPNTQNOQKA-ONFFYBLVSA-N	1	1	412.530	4.154	50	30		HIEAMO
C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1nc(-c2cccnc2)nc2ccccc21	ZINC000225609938	568775875	/nfs/dbraw/zinc/77/58/75/568775875.db2.gz	ZMNDVRQLLJCYSE-LJQANCHMSA-N	1	1	420.520	4.274	50	30		HIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)s1	ZINC000015065530	569004430	/nfs/dbraw/zinc/00/44/30/569004430.db2.gz	YGFJQMYXLGHSQQ-RUZDIDTESA-N	1	1	411.611	4.468	50	30		HIEAMO
C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000019838087	569018550	/nfs/dbraw/zinc/01/85/50/569018550.db2.gz	XLCKUDBADPUXEG-HHHXNRCGSA-N	1	1	410.565	4.015	50	30		HIEAMO
C[NH+]1CCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)CC1	ZINC000002399983	569393553	/nfs/dbraw/zinc/39/35/53/569393553.db2.gz	GYWVFFTXXQJIJZ-UHFFFAOYSA-N	1	1	408.889	4.197	50	30		HIEAMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CSCc3ccc(C#N)cc3)C2)s1	ZINC000328591716	569415114	/nfs/dbraw/zinc/41/51/14/569415114.db2.gz	YUSPXIPLOWRWGG-FQEVSTJZSA-N	1	1	413.612	4.142	50	30		HIEAMO
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)ONC2=[NH+]CCCCC2)cc1	ZINC000014074970	845922838	/nfs/dbraw/zinc/92/28/38/845922838.db2.gz	ZTXSWAFBRAJQSL-UHFFFAOYSA-N	1	1	404.470	4.182	50	30		HIEAMO
C=CCOc1ccccc1C[N@H+]1CCOc2ccc([C@H](O)c3cccnc3)cc2C1	ZINC000014998523	845997954	/nfs/dbraw/zinc/99/79/54/845997954.db2.gz	DDUHJMLKYFCTFS-VWLOTQADSA-N	1	1	402.494	4.123	50	30		HIEAMO
C=CCOc1ccccc1C[N@@H+]1CCOc2ccc([C@H](O)c3cccnc3)cc2C1	ZINC000014998523	845997965	/nfs/dbraw/zinc/99/79/65/845997965.db2.gz	DDUHJMLKYFCTFS-VWLOTQADSA-N	1	1	402.494	4.123	50	30		HIEAMO
C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCCCC2)cc1	ZINC000008161168	132328060	/nfs/dbraw/zinc/32/80/60/132328060.db2.gz	MAHMWZPVESJPLB-UHFFFAOYSA-N	1	1	408.571	4.169	50	30		HIEAMO
C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCCCC2)cc1	ZINC000008161168	132328062	/nfs/dbraw/zinc/32/80/62/132328062.db2.gz	MAHMWZPVESJPLB-UHFFFAOYSA-N	1	1	408.571	4.169	50	30		HIEAMO
C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146870	518718017	/nfs/dbraw/zinc/71/80/17/518718017.db2.gz	MVUJHDCNXBZWQZ-FYYLOGMGSA-N	1	1	412.505	4.157	50	30		HIEAMO
C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000020598889	523203697	/nfs/dbraw/zinc/20/36/97/523203697.db2.gz	MGGROYNCQQNYRE-LJQANCHMSA-N	1	1	400.563	4.106	50	30		HIEAMO
COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055100112	524302144	/nfs/dbraw/zinc/30/21/44/524302144.db2.gz	ZBJVBMWQPLDUEG-MRXNPFEDSA-N	1	1	415.530	4.113	50	30		HIEAMO
COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055100112	524302152	/nfs/dbraw/zinc/30/21/52/524302152.db2.gz	ZBJVBMWQPLDUEG-MRXNPFEDSA-N	1	1	415.530	4.113	50	30		HIEAMO
N#Cc1nc(-c2ccc(Br)o2)oc1NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000032124439	526785037	/nfs/dbraw/zinc/78/50/37/526785037.db2.gz	IDISSHSNVRCLKY-GXTWGEPZSA-N	1	1	405.296	4.245	50	30		HIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1	ZINC000004460037	558590384	/nfs/dbraw/zinc/59/03/84/558590384.db2.gz	OVRYDRJSCUBSHS-DEOSSOPVSA-N	1	1	408.517	4.241	50	30		HIEAMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1	ZINC000072289412	558723104	/nfs/dbraw/zinc/72/31/04/558723104.db2.gz	LNBAKXVNRWBQSE-JOCHJYFZSA-N	1	1	406.530	4.183	50	30		HIEAMO
CCCc1cc(N2CCN(c3cccc(C)[nH+]3)CC2)n2c3ccccc3nc2c1C#N	ZINC000100693002	558770726	/nfs/dbraw/zinc/77/07/26/558770726.db2.gz	RGJMZWZZVWILKP-UHFFFAOYSA-N	1	1	410.525	4.342	50	30		HIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1	ZINC000102708331	560820823	/nfs/dbraw/zinc/82/08/23/560820823.db2.gz	LDSKNQUMBCLNKY-DRIIDJKOSA-N	1	1	422.506	4.066	50	30		HIEAMO
C[C@H](CCc1ccco1)[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	ZINC000105380134	560871338	/nfs/dbraw/zinc/87/13/38/560871338.db2.gz	RFDZLHQISAXUIQ-OLRDJSGMSA-N	1	1	401.547	4.060	50	30		HIEAMO
C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028961562	568813675	/nfs/dbraw/zinc/81/36/75/568813675.db2.gz	CMWJODRNRBOHGA-HXUWFJFHSA-N	1	1	412.537	4.246	50	30		HIEAMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1	ZINC000012306381	568994275	/nfs/dbraw/zinc/99/42/75/568994275.db2.gz	RRRFLODBTHEZJR-QFIPXVFZSA-N	1	1	421.585	4.340	50	30		HIEAMO
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000012754885	568996304	/nfs/dbraw/zinc/99/63/04/568996304.db2.gz	ULVJKEJNMYXWNC-SANMLTNESA-N	1	1	422.588	4.336	50	30		HIEAMO
Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1F	ZINC000014957356	569004224	/nfs/dbraw/zinc/00/42/24/569004224.db2.gz	NFKIJFHTVCDVKQ-QFIPXVFZSA-N	1	1	404.464	4.231	50	30		HIEAMO
O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1	ZINC000015067764	569004390	/nfs/dbraw/zinc/00/43/90/569004390.db2.gz	OTIKFPBOLJMUNU-NRFANRHFSA-N	1	1	406.957	4.252	50	30		HIEAMO
CCn1cc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cc1C#N	ZINC000072425968	569384206	/nfs/dbraw/zinc/38/42/06/569384206.db2.gz	AJVYSGAEJXNGGY-UHFFFAOYSA-N	1	1	417.479	4.428	50	30		HIEAMO
COc1cccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O	ZINC000019771353	558280064	/nfs/dbraw/zinc/28/00/64/558280064.db2.gz	UITQGBLFGUWVDH-LGUFXXKBSA-N	1	1	401.510	4.142	50	30		HIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000072324084	558861477	/nfs/dbraw/zinc/86/14/77/558861477.db2.gz	OZEZSCLKRONVDV-DHWOPMESSA-N	1	1	408.586	4.118	50	30		HIEAMO
C=CCOc1ccccc1CN(Cc1ccncc1)CC1CC[NH+](CCOC)CC1	ZINC000012306731	568994004	/nfs/dbraw/zinc/99/40/04/568994004.db2.gz	UAWYRCWCHYTAMF-UHFFFAOYSA-N	1	1	409.574	4.007	50	30		HIEAMO
Cc1cccc(OCCc2noc([C@@H]3CCC[N@@H+](Cc4ccccc4C#N)C3)n2)c1	ZINC000169788475	853664747	/nfs/dbraw/zinc/66/47/47/853664747.db2.gz	GADAGDWIIYPKPA-OAQYLSRUSA-N	1	1	402.498	4.251	50	30		HIEAMO
COC(=O)c1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019771355	558279972	/nfs/dbraw/zinc/27/99/72/558279972.db2.gz	KWWWGENGLPHXOK-NHFJDJAPSA-N	1	1	413.521	4.214	50	30		HIEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(F)cc3)=[NH+]C)C2=O)cc1	ZINC000018125353	558831639	/nfs/dbraw/zinc/83/16/39/558831639.db2.gz	SVOSHJSTUCNJRQ-SFHVURJKSA-N	1	1	415.490	4.078	50	30		HIEAMO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[N@@H+](C)Cc2ccccc2)c1=O	ZINC000014985549	569004216	/nfs/dbraw/zinc/00/42/16/569004216.db2.gz	RWOKUZGSESMUGC-UHFFFAOYSA-N	1	1	412.917	4.403	50	30		HIEAMO
Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000013059576	569408260	/nfs/dbraw/zinc/40/82/60/569408260.db2.gz	HQCPORXSLXKMHW-UHFFFAOYSA-N	1	1	424.570	4.096	50	30		HIEAMO
Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000013059576	569408261	/nfs/dbraw/zinc/40/82/61/569408261.db2.gz	HQCPORXSLXKMHW-UHFFFAOYSA-N	1	1	424.570	4.096	50	30		HIEAMO
COc1cccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1	ZINC000008492507	571061410	/nfs/dbraw/zinc/06/14/10/571061410.db2.gz	NLDIKFZAZZWZBK-UHFFFAOYSA-N	1	1	416.525	4.104	50	30		HIEAMO
COc1cccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1	ZINC000008492507	571061413	/nfs/dbraw/zinc/06/14/13/571061413.db2.gz	NLDIKFZAZZWZBK-UHFFFAOYSA-N	1	1	416.525	4.104	50	30		HIEAMO
C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146867	518717407	/nfs/dbraw/zinc/71/74/07/518717407.db2.gz	MVUJHDCNXBZWQZ-GGAORHGYSA-N	1	1	412.505	4.157	50	30		HIEAMO
C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000020598890	523204067	/nfs/dbraw/zinc/20/40/67/523204067.db2.gz	MGGROYNCQQNYRE-IBGZPJMESA-N	1	1	400.563	4.106	50	30		HIEAMO
CCOc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1	ZINC000022928344	558363972	/nfs/dbraw/zinc/36/39/72/558363972.db2.gz	DOMCOOGTMDHXLE-AVRDEDQJSA-N	1	1	412.603	4.160	50	30		HIEAMO
CCOC(=O)C1(c2ccccc2)CC[NH+](Cc2c(C#N)c3ccccc3n2C)CC1	ZINC000004359595	558456617	/nfs/dbraw/zinc/45/66/17/558456617.db2.gz	IBLYZNAARQFSHC-UHFFFAOYSA-N	1	1	401.510	4.147	50	30		HIEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c1C#N	ZINC000010931087	558581351	/nfs/dbraw/zinc/58/13/51/558581351.db2.gz	IQRQCEGIQVLSBP-UHFFFAOYSA-N	1	1	404.514	4.467	50	30		HIEAMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1	ZINC000108155841	560898223	/nfs/dbraw/zinc/89/82/23/560898223.db2.gz	AYUWBYOVTNSKMM-KOSHJBKYSA-N	1	1	403.530	4.073	50	30		HIEAMO
Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CC2=C(c3ccccc3)CCC2=O)C1	ZINC000670453192	568928754	/nfs/dbraw/zinc/92/87/54/568928754.db2.gz	KFWLBZXVVUFOFW-NRFANRHFSA-N	1	1	402.538	4.107	50	30		HIEAMO
Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1C#N	ZINC000008339526	568993308	/nfs/dbraw/zinc/99/33/08/568993308.db2.gz	WJZJCVIFLLEKRI-REWPJTCUSA-N	1	1	420.557	4.104	50	30		HIEAMO
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000012432194	568994873	/nfs/dbraw/zinc/99/48/73/568994873.db2.gz	HFVFBGUTKJXECC-OAQYLSRUSA-N	1	1	416.525	4.492	50	30		HIEAMO
C#Cc1cccc(C(=O)N(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1	ZINC000012713629	568996560	/nfs/dbraw/zinc/99/65/60/568996560.db2.gz	ZHKYQELUXPSWBT-HSZRJFAPSA-N	1	1	404.554	4.093	50	30		HIEAMO
N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000040067661	571148335	/nfs/dbraw/zinc/14/83/35/571148335.db2.gz	KXNZQJWQHCVQFF-UHFFFAOYSA-N	1	1	402.420	4.317	50	30		HIEAMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1	ZINC000032829551	526578022	/nfs/dbraw/zinc/57/80/22/526578022.db2.gz	BZDHEGXTUADUHS-UHFFFAOYSA-N	1	1	423.473	4.051	50	30		HIEAMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000004335100	558261910	/nfs/dbraw/zinc/26/19/10/558261910.db2.gz	STQDLGGLDNEWAB-UHFFFAOYSA-N	1	1	421.504	4.385	50	30		HIEAMO
C[NH+]1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1	ZINC000033027209	558849655	/nfs/dbraw/zinc/84/96/55/558849655.db2.gz	RRVDZXBHHDYIEV-UHFFFAOYSA-N	1	1	414.465	4.290	50	30		HIEAMO
CN(Cc1c[nH]c(C#N)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508150	568634941	/nfs/dbraw/zinc/63/49/41/568634941.db2.gz	ACKKIOGMTRSRNW-SFHVURJKSA-N	1	1	404.480	4.292	50	30		HIEAMO
N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1	ZINC000058357219	568913818	/nfs/dbraw/zinc/91/38/18/568913818.db2.gz	NJQYBENRKINOIM-UHFFFAOYSA-N	1	1	402.473	4.166	50	30		HIEAMO
[NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000004827506	569071546	/nfs/dbraw/zinc/07/15/46/569071546.db2.gz	SZMBIVLRQPGWNH-UHFFFAOYSA-N	1	1	402.621	4.227	50	30		HIEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1C#N	ZINC000007606429	569295113	/nfs/dbraw/zinc/29/51/13/569295113.db2.gz	FZHGJMADAGUJKW-LJQANCHMSA-N	1	1	408.527	4.455	50	30		HIEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1C#N	ZINC000007606429	569295115	/nfs/dbraw/zinc/29/51/15/569295115.db2.gz	FZHGJMADAGUJKW-LJQANCHMSA-N	1	1	408.527	4.455	50	30		HIEAMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CSCc3ccc(C#N)cc3)C2)s1	ZINC000328591717	569415092	/nfs/dbraw/zinc/41/50/92/569415092.db2.gz	YUSPXIPLOWRWGG-HXUWFJFHSA-N	1	1	413.612	4.142	50	30		HIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1	ZINC000020573511	522008560	/nfs/dbraw/zinc/00/85/60/522008560.db2.gz	OLZJHYLHYYAMEX-JXFKEZNVSA-N	1	1	422.506	4.222	50	30		HIEAMO
COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)cc1F	ZINC000055211573	523776484	/nfs/dbraw/zinc/77/64/84/523776484.db2.gz	ASPKKMIIHXZQBJ-QGZVFWFLSA-N	1	1	415.530	4.113	50	30		HIEAMO
COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]c(C#N)c3)C2)cc1Cl	ZINC000095516929	568635241	/nfs/dbraw/zinc/63/52/41/568635241.db2.gz	NORQPWLOOLWXAS-HNNXBMFYSA-N	1	1	400.910	4.179	50	30		HIEAMO
O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1	ZINC000012200337	568993543	/nfs/dbraw/zinc/99/35/43/568993543.db2.gz	ATZDFBVBULQFGE-IBGZPJMESA-N	1	1	400.444	4.199	50	30		HIEAMO
COc1ccccc1NC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000079059063	569426149	/nfs/dbraw/zinc/42/61/49/569426149.db2.gz	GIHKRBVXVHGTIY-UHFFFAOYSA-N	1	1	420.557	4.135	50	30		HIEAMO
C=CCOc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]32)c1	ZINC000012279498	845866143	/nfs/dbraw/zinc/86/61/43/845866143.db2.gz	CSJSYZFOLJPBBS-NOZRDPDXSA-N	1	1	404.554	4.421	50	30		HIEAMO
Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012709849	845885221	/nfs/dbraw/zinc/88/52/21/845885221.db2.gz	TVHDFRJNBBQEAY-JOCHJYFZSA-N	1	1	422.544	4.499	50	30		HIEAMO
CCOC(=O)c1c(N=Cc2cccc(OC)c2OC)sc2c1CC[N@H+](CC)C2	ZINC000254877890	854216323	/nfs/dbraw/zinc/21/63/23/854216323.db2.gz	LTGDHPCJKFTXFP-UHFFFAOYSA-N	1	1	402.516	4.071	50	30		HIEAMO
CCOC(=O)c1c(N=Cc2cccc(OC)c2OC)sc2c1CC[N@@H+](CC)C2	ZINC000254877890	854216327	/nfs/dbraw/zinc/21/63/27/854216327.db2.gz	LTGDHPCJKFTXFP-UHFFFAOYSA-N	1	1	402.516	4.071	50	30		HIEAMO
C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](CC)CC1)n2Cc1ccc(C)cc1	ZINC000035927704	519063751	/nfs/dbraw/zinc/06/37/51/519063751.db2.gz	KMEBHWXEWNXNDR-UHFFFAOYSA-N	1	1	417.553	4.341	50	30		HIEAMO
C=CCSc1nc2ccccc2n1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1	ZINC000023508158	519083613	/nfs/dbraw/zinc/08/36/13/519083613.db2.gz	GXLJCKZCYYXKNK-UHFFFAOYSA-N	1	1	406.555	4.297	50	30		HIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1	ZINC000020573513	522008446	/nfs/dbraw/zinc/00/84/46/522008446.db2.gz	OLZJHYLHYYAMEX-OXJNMPFZSA-N	1	1	422.506	4.222	50	30		HIEAMO
[NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1Br	ZINC000004690312	557581598	/nfs/dbraw/zinc/58/15/98/557581598.db2.gz	YNRXJRKXDYHGSG-UHFFFAOYSA-N	1	1	402.075	4.428	50	30		HIEAMO
COc1c(Br)csc1C(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1	ZINC000008618115	557797212	/nfs/dbraw/zinc/79/72/12/557797212.db2.gz	FULNORCGUMDWPZ-UHFFFAOYSA-N	1	1	423.210	4.015	50	30		HIEAMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1	ZINC000072289413	558723066	/nfs/dbraw/zinc/72/30/66/558723066.db2.gz	LNBAKXVNRWBQSE-QFIPXVFZSA-N	1	1	406.530	4.183	50	30		HIEAMO
C[N@H+]1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)c(-c3cccs3)c2C1	ZINC000020813565	568644327	/nfs/dbraw/zinc/64/43/27/568644327.db2.gz	KKYFNBICCKJZHK-UHFFFAOYSA-N	1	1	401.557	4.103	50	30		HIEAMO
C#Cc1cccc(C(=O)N(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1	ZINC000012713631	568996233	/nfs/dbraw/zinc/99/62/33/568996233.db2.gz	ZHKYQELUXPSWBT-QHCPKHFHSA-N	1	1	404.554	4.093	50	30		HIEAMO
C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000019838089	569018507	/nfs/dbraw/zinc/01/85/07/569018507.db2.gz	XLCKUDBADPUXEG-MHZLTWQESA-N	1	1	410.565	4.015	50	30		HIEAMO
COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)cc1F	ZINC000055211572	523780008	/nfs/dbraw/zinc/78/00/08/523780008.db2.gz	ASPKKMIIHXZQBJ-KRWDZBQOSA-N	1	1	415.530	4.113	50	30		HIEAMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000032829908	526577186	/nfs/dbraw/zinc/57/71/86/526577186.db2.gz	YQGKMKTWJBODCS-UHFFFAOYSA-N	1	1	423.473	4.051	50	30		HIEAMO
N#Cc1ccc(C[NH+]2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1	ZINC000022770875	557818291	/nfs/dbraw/zinc/81/82/91/557818291.db2.gz	MWAKQQSAAIDFNH-UHFFFAOYSA-N	1	1	413.550	4.252	50	30		HIEAMO
C=CCOc1c(Br)cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1OC	ZINC000247868388	559274900	/nfs/dbraw/zinc/27/49/00/559274900.db2.gz	CCEYPSCTTPBCGI-UHFFFAOYSA-N	1	1	402.292	4.189	50	30		HIEAMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1	ZINC000095455988	568617497	/nfs/dbraw/zinc/61/74/97/568617497.db2.gz	AYUWBYOVTNSKMM-UUOWRZLLSA-N	1	1	403.530	4.073	50	30		HIEAMO
CC[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)[NH+](C)C	ZINC000025756908	568913898	/nfs/dbraw/zinc/91/38/98/568913898.db2.gz	FSJUEVABZCOMDI-FQEVSTJZSA-N	1	1	407.543	4.453	50	30		HIEAMO
CN(C)/C=[NH+]/c1sc2c(c1C#N)CCN(c1ncc(C(F)(F)F)cc1Cl)C2	ZINC000004073509	568937952	/nfs/dbraw/zinc/93/79/52/568937952.db2.gz	ZOXBHXLEQXUXRT-PGGKNCGUSA-N	1	1	413.856	4.471	50	30		HIEAMO
CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)c1	ZINC000012708633	568995807	/nfs/dbraw/zinc/99/58/07/568995807.db2.gz	UUTFZGARZAYLSG-XMMPIXPASA-N	1	1	405.538	4.303	50	30		HIEAMO
CSc1nc(-c2ccccc2)c(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000054090220	569369546	/nfs/dbraw/zinc/36/95/46/569369546.db2.gz	XHUALLGEFGFCAJ-UHFFFAOYSA-N	1	1	401.539	4.059	50	30		HIEAMO
C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1	ZINC000029973643	519032146	/nfs/dbraw/zinc/03/21/46/519032146.db2.gz	KNMAUUAKBJWSBQ-UHFFFAOYSA-N	1	1	416.525	4.385	50	30		HIEAMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1	ZINC000029973643	519032156	/nfs/dbraw/zinc/03/21/56/519032156.db2.gz	KNMAUUAKBJWSBQ-UHFFFAOYSA-N	1	1	416.525	4.385	50	30		HIEAMO
COc1ccc(OC)c(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000019835394	558292813	/nfs/dbraw/zinc/29/28/13/558292813.db2.gz	HIMSQKIUNQPUNZ-NHFJDJAPSA-N	1	1	415.537	4.445	50	30		HIEAMO
O=C1c2ccc([O-])c(C[NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993444	/nfs/dbraw/zinc/99/34/44/558993444.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	1	1	424.566	4.424	50	30		HIEAMO
O=C1c2ccc([O-])c(C[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993446	/nfs/dbraw/zinc/99/34/46/558993446.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	1	1	424.566	4.424	50	30		HIEAMO
C=C1[NH+]=C(SCc2ccccc2C#N)N[C@@H](c2ccccc2OC)C1C(=O)OCC	ZINC000098086308	559064773	/nfs/dbraw/zinc/06/47/73/559064773.db2.gz	RWWWOVJNVDEFSY-NRFANRHFSA-N	1	1	421.522	4.338	50	30		HIEAMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000095430497	568608891	/nfs/dbraw/zinc/60/88/91/568608891.db2.gz	HJBQYBWIDHAPJZ-IBGZPJMESA-N	1	1	411.513	4.237	50	30		HIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000019703255	568837724	/nfs/dbraw/zinc/83/77/24/568837724.db2.gz	OZEZSCLKRONVDV-HROMDODWSA-N	1	1	408.586	4.118	50	30		HIEAMO
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000012754892	568996543	/nfs/dbraw/zinc/99/65/43/568996543.db2.gz	ULVJKEJNMYXWNC-AREMUKBSSA-N	1	1	422.588	4.336	50	30		HIEAMO
N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1Cl	ZINC000079053398	569425740	/nfs/dbraw/zinc/42/57/40/569425740.db2.gz	ZKOONLKTHHBLOC-OAQYLSRUSA-N	1	1	423.900	4.369	50	30		HIEAMO
C=CCOc1ccccc1[C@@H]1C[C@H]2CN(Cc3ccccc3C)C(=O)[C@]23CCC[N@H+]13	ZINC000011816899	845836419	/nfs/dbraw/zinc/83/64/19/845836419.db2.gz	VOPODBDXYODUDU-KJOQGJGQSA-N	1	1	402.538	4.498	50	30		HIEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccccc1)C2	ZINC000014748856	845976601	/nfs/dbraw/zinc/97/66/01/845976601.db2.gz	SITXGCPYXPUUBQ-OAQYLSRUSA-N	1	1	406.574	4.075	50	30		HIEAMO
COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1OCc1ccccc1	ZINC000019771563	558280018	/nfs/dbraw/zinc/28/00/18/558280018.db2.gz	HKCXBBVMGLCVKI-ZXVVBBHZSA-N	1	1	415.537	4.426	50	30		HIEAMO
Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C	ZINC000022941959	558794771	/nfs/dbraw/zinc/79/47/71/558794771.db2.gz	JRDUGQVKIFYYIE-XLIONFOSSA-N	1	1	402.633	4.440	50	30		HIEAMO
Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)c1C	ZINC000022941959	558794772	/nfs/dbraw/zinc/79/47/72/558794772.db2.gz	JRDUGQVKIFYYIE-XLIONFOSSA-N	1	1	402.633	4.440	50	30		HIEAMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000095430498	568608854	/nfs/dbraw/zinc/60/88/54/568608854.db2.gz	HJBQYBWIDHAPJZ-LJQANCHMSA-N	1	1	411.513	4.237	50	30		HIEAMO
C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000028961568	568813665	/nfs/dbraw/zinc/81/36/65/568813665.db2.gz	CMWJODRNRBOHGA-FQEVSTJZSA-N	1	1	412.537	4.246	50	30		HIEAMO
C[C@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](Cc5ccc(C#N)cc5)CC4)c23)C1	ZINC000012569392	568861451	/nfs/dbraw/zinc/86/14/51/568861451.db2.gz	KIFFDDFGRFQDTO-KRWDZBQOSA-N	1	1	417.582	4.400	50	30		HIEAMO
N#Cc1ccc(Cn2ccc([C@H]3CCC[N@@H+](Cc4ccc(C#N)cc4F)C3)n2)c(F)c1	ZINC000058004633	568873784	/nfs/dbraw/zinc/87/37/84/568873784.db2.gz	XCTOFBXZUPMCBG-NRFANRHFSA-N	1	1	417.463	4.333	50	30		HIEAMO
CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012430958	568995154	/nfs/dbraw/zinc/99/51/54/568995154.db2.gz	AMFRTTGSVWNKSQ-HHHXNRCGSA-N	1	1	419.565	4.197	50	30		HIEAMO
OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012576383	568995412	/nfs/dbraw/zinc/99/54/12/568995412.db2.gz	GQTCBKWWKULQAU-HHHXNRCGSA-N	1	1	411.549	4.084	50	30		HIEAMO
CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12	ZINC000082108715	569403560	/nfs/dbraw/zinc/40/35/60/569403560.db2.gz	YUSPMYSCZIGWHR-UHFFFAOYSA-N	1	1	422.481	4.291	50	30		HIEAMO
CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12	ZINC000082108715	569403561	/nfs/dbraw/zinc/40/35/61/569403561.db2.gz	YUSPMYSCZIGWHR-UHFFFAOYSA-N	1	1	422.481	4.291	50	30		HIEAMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1	ZINC000014200923	558636527	/nfs/dbraw/zinc/63/65/27/558636527.db2.gz	FVZKVDRHTNVDGR-HTAPYJJXSA-N	1	1	410.564	4.263	50	30		HIEAMO
Cc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000100998621	560766271	/nfs/dbraw/zinc/76/62/71/560766271.db2.gz	RIUMNMOQHOOPAP-SGEDCAFJSA-N	1	1	424.548	4.238	50	30		HIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1	ZINC000013594486	569000341	/nfs/dbraw/zinc/00/03/41/569000341.db2.gz	SXMJDSFQLMRDNK-VWLOTQADSA-N	1	1	411.973	4.280	50	30		HIEAMO
COc1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1	ZINC000022078701	846528591	/nfs/dbraw/zinc/52/85/91/846528591.db2.gz	OPLXUHNEYRPGAC-NHFJDJAPSA-N	1	1	415.537	4.445	50	30		HIEAMO
O=[N+]([O-])c1ccc(/C=N\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000032617905	527345935	/nfs/dbraw/zinc/34/59/35/527345935.db2.gz	GVBXPKGHHDRVEP-PLRJNAJWSA-N	1	1	400.482	4.336	50	30		HIEAMO
CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])c1cccc(Br)c1	ZINC000004821087	557602873	/nfs/dbraw/zinc/60/28/73/557602873.db2.gz	SZSQMISHVOPXQH-UHFFFAOYSA-N	1	1	411.683	4.124	50	30		HIEAMO
[NH2+]=C(Nc1ccc(Cl)cc1Cl)Nc1nc(CSc2ccccn2)cc(=O)[nH]1	ZINC000018189346	558832842	/nfs/dbraw/zinc/83/28/42/558832842.db2.gz	GSGNEBITBQSOPX-UHFFFAOYSA-N	1	1	421.313	4.235	50	30		HIEAMO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000012432195	568994897	/nfs/dbraw/zinc/99/48/97/568994897.db2.gz	HFVFBGUTKJXECC-NRFANRHFSA-N	1	1	416.525	4.492	50	30		HIEAMO
OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012576390	568995122	/nfs/dbraw/zinc/99/51/22/568995122.db2.gz	GQTCBKWWKULQAU-MHZLTWQESA-N	1	1	411.549	4.084	50	30		HIEAMO
Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1C#N	ZINC000239432776	569233876	/nfs/dbraw/zinc/23/38/76/569233876.db2.gz	WJZJCVIFLLEKRI-OFNKIYASSA-N	1	1	420.557	4.104	50	30		HIEAMO
C[NH+]1CCN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)CC1	ZINC000002368289	569388444	/nfs/dbraw/zinc/38/84/44/569388444.db2.gz	UMGFUVMVZNOBFS-UHFFFAOYSA-N	1	1	408.889	4.197	50	30		HIEAMO
CCCc1cc(N2CCN(c3cc(C)cc[nH+]3)CC2)n2c3ccccc3nc2c1C#N	ZINC000006869183	132319615	/nfs/dbraw/zinc/31/96/15/132319615.db2.gz	WLHHUMZDZHDSPG-UHFFFAOYSA-N	1	1	410.525	4.342	50	30		HIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000072324083	558861503	/nfs/dbraw/zinc/86/15/03/558861503.db2.gz	OZEZSCLKRONVDV-CFXNPWLASA-N	1	1	408.586	4.118	50	30		HIEAMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022197555	558864543	/nfs/dbraw/zinc/86/45/43/558864543.db2.gz	MQDXUTQSHMNBSA-UHFFFAOYSA-N	1	1	424.548	4.294	50	30		HIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1	ZINC000102709433	560820961	/nfs/dbraw/zinc/82/09/61/560820961.db2.gz	LDSKNQUMBCLNKY-ZYNFKTDBSA-N	1	1	422.506	4.066	50	30		HIEAMO
CC[NH+]1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1	ZINC000012418928	568718916	/nfs/dbraw/zinc/71/89/16/568718916.db2.gz	OINRUNAPWUSPOT-UHFFFAOYSA-N	1	1	412.877	4.181	50	30		HIEAMO
Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012709844	845885228	/nfs/dbraw/zinc/88/52/28/845885228.db2.gz	TVHDFRJNBBQEAY-QFIPXVFZSA-N	1	1	422.544	4.499	50	30		HIEAMO
C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](CC)CC1)n2Cc1ccccc1C	ZINC000035927748	519064271	/nfs/dbraw/zinc/06/42/71/519064271.db2.gz	IGKUWGDISBZFLR-UHFFFAOYSA-N	1	1	417.553	4.341	50	30		HIEAMO
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000023153747	559021839	/nfs/dbraw/zinc/02/18/39/559021839.db2.gz	DYZPGFJDRVCROX-UHFFFAOYSA-N	1	1	418.478	4.339	50	30		HIEAMO
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000023153747	559021840	/nfs/dbraw/zinc/02/18/40/559021840.db2.gz	DYZPGFJDRVCROX-UHFFFAOYSA-N	1	1	418.478	4.339	50	30		HIEAMO
CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OCC(C)C)c(OC)c1	ZINC000058209678	568899660	/nfs/dbraw/zinc/89/96/60/568899660.db2.gz	ORBGLSQUJGUZOK-UHFFFAOYSA-N	1	1	409.530	4.452	50	30		HIEAMO
CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OCC(C)C)c(OC)c1	ZINC000058209678	568899663	/nfs/dbraw/zinc/89/96/63/568899663.db2.gz	ORBGLSQUJGUZOK-UHFFFAOYSA-N	1	1	409.530	4.452	50	30		HIEAMO
Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c1C#N	ZINC000008339519	568993205	/nfs/dbraw/zinc/99/32/05/568993205.db2.gz	WJZJCVIFLLEKRI-NZQKXSOJSA-N	1	1	420.557	4.104	50	30		HIEAMO
C=CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000169677618	569039138	/nfs/dbraw/zinc/03/91/38/569039138.db2.gz	MVUJHDCNXBZWQZ-GMAHTHKFSA-N	1	1	412.505	4.157	50	30		HIEAMO
Cc1ccc(C[NH+]2CCN(N=Cc3cc(Br)ccc3F)CC2)c(C)c1	ZINC000002232075	569319934	/nfs/dbraw/zinc/31/99/34/569319934.db2.gz	RAPOAHJRFVLLAN-UHFFFAOYSA-N	1	1	404.327	4.357	50	30		HIEAMO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccccc1)C2	ZINC000014748857	845976900	/nfs/dbraw/zinc/97/69/00/845976900.db2.gz	SITXGCPYXPUUBQ-NRFANRHFSA-N	1	1	406.574	4.075	50	30		HIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1	ZINC000102709435	560820985	/nfs/dbraw/zinc/82/09/85/560820985.db2.gz	LDSKNQUMBCLNKY-IXCJUEIHSA-N	1	1	422.506	4.066	50	30		HIEAMO
COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N@H+](C)CC3)OCO2	ZINC000020113902	568589256	/nfs/dbraw/zinc/58/92/56/568589256.db2.gz	SFCDKHFGEPUQLE-DUIUGDAFSA-N	1	1	404.466	4.107	50	30		HIEAMO
COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N@@H+](C)CC3)OCO2	ZINC000020113902	568589258	/nfs/dbraw/zinc/58/92/58/568589258.db2.gz	SFCDKHFGEPUQLE-DUIUGDAFSA-N	1	1	404.466	4.107	50	30		HIEAMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1	ZINC000095455987	568617506	/nfs/dbraw/zinc/61/75/06/568617506.db2.gz	AYUWBYOVTNSKMM-MHECFPHRSA-N	1	1	403.530	4.073	50	30		HIEAMO
CN(Cc1c[nH]c(C#N)c1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508151	568635056	/nfs/dbraw/zinc/63/50/56/568635056.db2.gz	ACKKIOGMTRSRNW-GOSISDBHSA-N	1	1	404.480	4.292	50	30		HIEAMO
C=CCn1cc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1	ZINC000072412254	568920536	/nfs/dbraw/zinc/92/05/36/568920536.db2.gz	QNBLKCVEICBMMD-UHFFFAOYSA-N	1	1	405.468	4.118	50	30		HIEAMO
O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F	ZINC000012752802	568941502	/nfs/dbraw/zinc/94/15/02/568941502.db2.gz	HAWUOPIISSKHON-NRFANRHFSA-N	1	1	408.517	4.191	50	30		HIEAMO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+][C@H](C)c2ccco2)c1=O	ZINC000020270858	569018756	/nfs/dbraw/zinc/01/87/56/569018756.db2.gz	NDSRRUFAEMWHMN-CQSZACIVSA-N	1	1	402.878	4.215	50	30		HIEAMO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+][C@@H](C)c2ccco2)c1=O	ZINC000020270856	569018773	/nfs/dbraw/zinc/01/87/73/569018773.db2.gz	NDSRRUFAEMWHMN-AWEZNQCLSA-N	1	1	402.878	4.215	50	30		HIEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1C#N	ZINC000007606432	569295187	/nfs/dbraw/zinc/29/51/87/569295187.db2.gz	FZHGJMADAGUJKW-IBGZPJMESA-N	1	1	408.527	4.455	50	30		HIEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1C#N	ZINC000007606432	569295188	/nfs/dbraw/zinc/29/51/88/569295188.db2.gz	FZHGJMADAGUJKW-IBGZPJMESA-N	1	1	408.527	4.455	50	30		HIEAMO
N#Cc1ccc(COCC2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1	ZINC000077191690	571312305	/nfs/dbraw/zinc/31/23/05/571312305.db2.gz	USAIDERJKMVYRO-UHFFFAOYSA-N	1	1	415.896	4.218	50	30		HIEAMO
C[NH+]=C(Nc1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000096544392	523671414	/nfs/dbraw/zinc/67/14/14/523671414.db2.gz	CTJUWNGKZMQRED-MRXNPFEDSA-N	1	1	405.882	4.060	50	30		HIEAMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1	ZINC000037200152	526486182	/nfs/dbraw/zinc/48/61/82/526486182.db2.gz	FVZKVDRHTNVDGR-JTSKRJEESA-N	1	1	410.564	4.263	50	30		HIEAMO
Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)ccc3F)CC2)c(C)c1	ZINC000020189755	558344235	/nfs/dbraw/zinc/34/42/35/558344235.db2.gz	RAPOAHJRFVLLAN-YDZHTSKRSA-N	1	1	404.327	4.357	50	30		HIEAMO
Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c1C#N	ZINC000014129738	559153098	/nfs/dbraw/zinc/15/30/98/559153098.db2.gz	WJZJCVIFLLEKRI-NFBKMPQASA-N	1	1	420.557	4.104	50	30		HIEAMO
N#Cc1c2c(c(N3CCCCC3)nc1N1CCCCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000020790351	568643785	/nfs/dbraw/zinc/64/37/85/568643785.db2.gz	NFWFNKQJHIUIBD-UHFFFAOYSA-N	1	1	415.585	4.492	50	30		HIEAMO
N#Cc1c2c(c(N3CCCCC3)nc1N1CCCCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000020790351	568643788	/nfs/dbraw/zinc/64/37/88/568643788.db2.gz	NFWFNKQJHIUIBD-UHFFFAOYSA-N	1	1	415.585	4.492	50	30		HIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)s1	ZINC000015065529	569004587	/nfs/dbraw/zinc/00/45/87/569004587.db2.gz	YGFJQMYXLGHSQQ-VWLOTQADSA-N	1	1	411.611	4.468	50	30		HIEAMO
C=CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985367	569009737	/nfs/dbraw/zinc/00/97/37/569009737.db2.gz	MVUJHDCNXBZWQZ-JTHBVZDNSA-N	1	1	412.505	4.157	50	30		HIEAMO
COc1cccc(/C=C/c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)c1	ZINC000054151496	569369676	/nfs/dbraw/zinc/36/96/76/569369676.db2.gz	CENJXWPSNBYMDM-ZHACJKMWSA-N	1	1	400.482	4.047	50	30		HIEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3cccs3)c2C1	ZINC000019889289	569433201	/nfs/dbraw/zinc/43/32/01/569433201.db2.gz	IGMROJGPFGCZMB-UHFFFAOYSA-N	1	1	420.563	4.400	50	30		HIEAMO
Cc1cccc(OCCc2noc([C@H]3CCC[N@@H+](Cc4ccccc4C#N)C3)n2)c1	ZINC000169788476	853664905	/nfs/dbraw/zinc/66/49/05/853664905.db2.gz	GADAGDWIIYPKPA-NRFANRHFSA-N	1	1	402.498	4.251	50	30		HIEAMO
CN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1	ZINC000055227620	523204433	/nfs/dbraw/zinc/20/44/33/523204433.db2.gz	ZBQLSELVYPUMKR-RUZDIDTESA-N	1	1	422.588	4.335	50	30		HIEAMO
CN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	ZINC000055227620	523204442	/nfs/dbraw/zinc/20/44/42/523204442.db2.gz	ZBQLSELVYPUMKR-RUZDIDTESA-N	1	1	422.588	4.335	50	30		HIEAMO
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000055227620	523204448	/nfs/dbraw/zinc/20/44/48/523204448.db2.gz	ZBQLSELVYPUMKR-RUZDIDTESA-N	1	1	422.588	4.335	50	30		HIEAMO
C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000055227620	523204463	/nfs/dbraw/zinc/20/44/63/523204463.db2.gz	ZBQLSELVYPUMKR-RUZDIDTESA-N	1	1	422.588	4.335	50	30		HIEAMO
Cc1ccc(/N=C2\c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000022935497	525973078	/nfs/dbraw/zinc/97/30/78/525973078.db2.gz	RIUMNMOQHOOPAP-BYCLXTJYSA-N	1	1	424.548	4.238	50	30		HIEAMO
O=[N+]([O-])c1cccc(/C=N\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000022078724	527384777	/nfs/dbraw/zinc/38/47/77/527384777.db2.gz	VWIBXJATTNATIR-PLRJNAJWSA-N	1	1	400.482	4.336	50	30		HIEAMO
C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl	ZINC000004985878	557620836	/nfs/dbraw/zinc/62/08/36/557620836.db2.gz	HAUCRSAQCWMFNW-SNVBAGLBSA-N	1	1	401.677	4.472	50	30		HIEAMO
COc1cccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1OC	ZINC000019771354	558279925	/nfs/dbraw/zinc/27/99/25/558279925.db2.gz	XHYFNFAUVKKOIK-NHFJDJAPSA-N	1	1	415.537	4.445	50	30		HIEAMO
N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1Cl	ZINC000079053391	569425693	/nfs/dbraw/zinc/42/56/93/569425693.db2.gz	ZKOONLKTHHBLOC-NRFANRHFSA-N	1	1	423.900	4.369	50	30		HIEAMO