smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2cc1C	ZINC000034791559	210247088	/nfs/dbraw/zinc/24/70/88/210247088.db2.gz	UDNSHVFBRQATDS-FZKQIMNGSA-N	0	0	367.518	4.510	40	30		FJEBRN
CCC(C)N=Nc1nc2c(cc(Br)cc2OC(F)F)s1	ZINC000057328262	210206856	/nfs/dbraw/zinc/20/68/56/210206856.db2.gz	IAKDZCDOJHCBMR-FMQZQXMHSA-N	0	0	364.215	4.858	40	30		FJEBRN
N#Cc1ccc(Br)cc1NCc1cccc(Br)c1	ZINC000039956500	210186161	/nfs/dbraw/zinc/18/61/61/210186161.db2.gz	UGDAVBRJWDFCLC-UHFFFAOYSA-N	0	0	366.056	4.695	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCSCc2ccccc2C)c1	ZINC000219779946	210175877	/nfs/dbraw/zinc/17/58/77/210175877.db2.gz	CKSDIWPADHFWPM-UHFFFAOYSA-N	0	0	355.503	4.613	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCCc2ccccc2OCCC)c1	ZINC000219791352	210175152	/nfs/dbraw/zinc/17/51/52/210175152.db2.gz	QWIXZCGXILRAOU-UHFFFAOYSA-N	0	0	367.489	4.793	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000219642576	210174924	/nfs/dbraw/zinc/17/49/24/210174924.db2.gz	PWYBGJJIERRHHM-LJQANCHMSA-N	0	0	351.446	4.592	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC	ZINC000218656378	210174457	/nfs/dbraw/zinc/17/44/57/210174457.db2.gz	PTUDQSCYHKXAEK-UHFFFAOYSA-N	0	0	371.436	4.907	40	30		FJEBRN
C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	ZINC000216848269	210161910	/nfs/dbraw/zinc/16/19/10/210161910.db2.gz	QPKRMOATQDSLQM-UHFFFAOYSA-N	0	0	353.176	4.502	40	30		FJEBRN
O=C(Cc1ccsc1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1	ZINC000012133286	210140311	/nfs/dbraw/zinc/14/03/11/210140311.db2.gz	STJBJCLKJVPAHU-UHFFFAOYSA-N	0	0	374.509	4.710	40	30		FJEBRN
CC(C)(C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccccc2)n1	ZINC000329019257	210131050	/nfs/dbraw/zinc/13/10/50/210131050.db2.gz	NVNSNSPJCCDFMR-UHFFFAOYSA-N	0	0	361.424	4.530	40	30		FJEBRN
COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c(OC)c1OC	ZINC000007743476	210093204	/nfs/dbraw/zinc/09/32/04/210093204.db2.gz	YNRQJDXDCIZOBV-XBXARRHUSA-N	0	0	367.228	4.915	40	30		FJEBRN
COc1ccc([C@H]2c3ccc4ncccc4c3NC3=C2C(=O)CCC3)cc1	ZINC000004710552	210080231	/nfs/dbraw/zinc/08/02/31/210080231.db2.gz	ACMOMXGCVBDJFE-NRFANRHFSA-N	0	0	356.425	4.808	40	30		FJEBRN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccccn1	ZINC000000924059	219340796	/nfs/dbraw/zinc/34/07/96/219340796.db2.gz	QAGFJNWGFXTXEF-QFIPXVFZSA-N	0	0	355.441	4.939	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225855178	222875252	/nfs/dbraw/zinc/87/52/52/222875252.db2.gz	PISWEQCHYDRZAG-IIBYNOLFSA-N	0	0	358.482	4.659	40	30		FJEBRN
C/C(=N/N=c1/sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1	ZINC000006707285	219761060	/nfs/dbraw/zinc/76/10/60/219761060.db2.gz	ZFFUBAZURKWAFB-FKXATRFUSA-N	0	0	350.274	4.872	40	30		FJEBRN
COc1ccc2oc(-c3ccc4nc(N=NC(C)C)sc4c3)nc2c1	ZINC000040542421	203886317	/nfs/dbraw/zinc/88/63/17/203886317.db2.gz	JIPNOAZVTWSXAE-UHFFFAOYSA-N	0	0	352.419	4.921	40	30		FJEBRN
N#Cc1cc2c(nc1SCc1cc3c(cc1Cl)OCO3)CCCC2	ZINC000001476111	204009613	/nfs/dbraw/zinc/00/96/13/204009613.db2.gz	URMXWOKCWJCKQL-UHFFFAOYSA-N	0	0	358.850	4.506	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1	ZINC000001680124	204015920	/nfs/dbraw/zinc/01/59/20/204015920.db2.gz	KTNRRBCMGRKMIA-LJQANCHMSA-N	0	0	361.357	4.672	40	30		FJEBRN
CCC(=O)O[C@H]1[C@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004726330	204159067	/nfs/dbraw/zinc/15/90/67/204159067.db2.gz	AFBZBYQKIMBONK-ZELOLHMESA-N	0	0	362.485	4.788	40	30	in-vitro	FJEBRN
COc1ccc(C)cc1NC(=S)NC(=O)c1cccc2ccccc21	ZINC000005553096	204214120	/nfs/dbraw/zinc/21/41/20/204214120.db2.gz	ZZMNDGHFYUPGGL-UHFFFAOYSA-N	0	0	350.443	4.695	40	30		FJEBRN
C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3CC)NC2=O)cc1	ZINC000005551294	204214139	/nfs/dbraw/zinc/21/41/39/204214139.db2.gz	OOUUCNOFVICZAT-RGEXLXHISA-N	0	0	364.470	4.705	40	30		FJEBRN
C/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)o1	ZINC000012621867	204482722	/nfs/dbraw/zinc/48/27/22/204482722.db2.gz	WFHFGXCWRFPIBY-YZLFBHQZSA-N	0	0	366.273	4.838	40	30		FJEBRN
CCn1c2ccccc2c2cc(/N=C3/c4ccccc4N(C)C3=O)ccc21	ZINC000017425364	204655000	/nfs/dbraw/zinc/65/50/00/204655000.db2.gz	BROGKPBGBFHTDH-GYHWCHFESA-N	0	0	353.425	4.912	40	30		FJEBRN
CCN1c2cc(Cl)ccc2S/C1=C1/C(=O)ON=C1Cc1ccccc1	ZINC000036550947	205016801	/nfs/dbraw/zinc/01/68/01/205016801.db2.gz	CLCPZDNZTACDMM-ISLYRVAYSA-N	0	0	370.861	4.639	40	30		FJEBRN
CCN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC	ZINC000118917960	206103280	/nfs/dbraw/zinc/10/32/80/206103280.db2.gz	QIWHTHRIASTAHD-YEZZEHMWSA-N	0	0	371.565	4.715	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000225578616	206118857	/nfs/dbraw/zinc/11/88/57/206118857.db2.gz	UWAZPLCHPOLKMF-GOSISDBHSA-N	0	0	368.502	4.840	40	30		FJEBRN
Cc1ccc2[nH]c(=NN=Cc3cc(Br)ccc3O)sc2c1	ZINC000226096153	206119326	/nfs/dbraw/zinc/11/93/26/206119326.db2.gz	UHDFGRWZPQVOAH-CAOOACKPSA-N	0	0	362.252	4.519	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1	ZINC000004125288	206168582	/nfs/dbraw/zinc/16/85/82/206168582.db2.gz	NLSHRMNDXZQPTF-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CC(N=Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	ZINC000004713171	206182309	/nfs/dbraw/zinc/18/23/09/206182309.db2.gz	PXHUMCPBKXWZJF-WSDLNYQXSA-N	0	0	367.796	4.541	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1	ZINC000004849165	206180445	/nfs/dbraw/zinc/18/04/45/206180445.db2.gz	PHPMPQFHPARWTG-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OC	ZINC000007742119	206245378	/nfs/dbraw/zinc/24/53/78/206245378.db2.gz	PIXDANJBCOZZNF-RIYZIHGNSA-N	0	0	373.246	4.679	40	30		FJEBRN
COc1cc(OC)cc(C(=O)/N=C(/c2ccccc2)c2ccc(C)cc2)c1	ZINC000102946776	206230806	/nfs/dbraw/zinc/23/08/06/206230806.db2.gz	AXRZANCIXJDDKQ-GYHWCHFESA-N	0	0	359.425	4.690	40	30		FJEBRN
O=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2	ZINC000020026286	206329212	/nfs/dbraw/zinc/32/92/12/206329212.db2.gz	OGVSDRMDZZLUAJ-UHFFFAOYSA-N	0	0	362.256	4.694	40	30		FJEBRN
CN(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br	ZINC000013549152	206305205	/nfs/dbraw/zinc/30/52/05/206305205.db2.gz	HXDAARREVCPLEA-YBEGLDIGSA-N	0	0	360.276	4.845	40	30		FJEBRN
C=C1C[C@@]2(CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O	ZINC000118936601	206335680	/nfs/dbraw/zinc/33/56/80/206335680.db2.gz	WGTHPOGRDPMMBQ-XCMMUJMZSA-N	0	0	356.506	4.552	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C#N	ZINC000225852718	206503493	/nfs/dbraw/zinc/50/34/93/206503493.db2.gz	VUBYLOFFCNMPPR-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
CSc1ccc(/C=C2/CNC/C(=C/c3ccc(SC)cc3)C2=O)cc1	ZINC000016952821	211174247	/nfs/dbraw/zinc/17/42/47/211174247.db2.gz	YFMYNOUCTKNNOG-WHYMJUELSA-N	0	0	367.539	4.770	40	30		FJEBRN
S=C(N/N=C\c1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2	ZINC000016922671	211172299	/nfs/dbraw/zinc/17/22/99/211172299.db2.gz	NPLOBFVLHXMWQL-UCQKPKSFSA-N	0	0	363.530	4.607	40	30		FJEBRN
C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C)cc1	ZINC000016711546	211169101	/nfs/dbraw/zinc/16/91/01/211169101.db2.gz	MBXUPDPOGFRWJC-KIOXBDSISA-N	0	0	364.470	4.794	40	30		FJEBRN
COc1cc(OC)c(/C=N/NCc2c(Cl)cccc2Cl)cc1Cl	ZINC000009196381	210819903	/nfs/dbraw/zinc/81/99/03/210819903.db2.gz	XVKGSVJIVIQQFQ-DNTJNYDQSA-N	0	0	373.667	4.788	40	30		FJEBRN
O=C1ON=C(c2ccc(-c3ccccc3)cc2)/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000005874703	210646539	/nfs/dbraw/zinc/64/65/39/210646539.db2.gz	OHUBDRVDFGUBRW-ZHZULCJRSA-N	0	0	370.364	4.606	40	30		FJEBRN
CC/N=C1\S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1CC	ZINC000005552134	210626469	/nfs/dbraw/zinc/62/64/69/210626469.db2.gz	LRNMARDZEYMUKJ-PDFVYNHPSA-N	0	0	360.866	4.912	40	30		FJEBRN
O=[N+]([O-])c1cc(Nc2ccccc2)c(/C=N/c2ccccc2)c([N+](=O)[O-])c1	ZINC000003666279	210493601	/nfs/dbraw/zinc/49/36/01/210493601.db2.gz	WMNMBGGUVFNGAW-DEDYPNTBSA-N	0	0	362.345	4.997	40	30		FJEBRN
O=C(Nc1ccccc1)OCCN=C1c2ccccc2CCc2ccccc21	ZINC000001643733	210363155	/nfs/dbraw/zinc/36/31/55/210363155.db2.gz	BNKRAYJCOSIRNW-UHFFFAOYSA-N	0	0	370.452	4.871	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@H]3C=CC[C@H]23)c1	ZINC000059857759	221127593	/nfs/dbraw/zinc/12/75/93/221127593.db2.gz	OOLPSPFENZMUGE-FEIWMFEISA-N	0	0	359.804	4.597	40	30		FJEBRN
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1	ZINC000100244424	222239133	/nfs/dbraw/zinc/23/91/33/222239133.db2.gz	GUDUITNCMNVOMZ-WEVVVXLNSA-N	0	0	350.617	4.798	40	30		FJEBRN
CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCCOC[C@H](O)CO	ZINC000104049789	222349098	/nfs/dbraw/zinc/34/90/98/222349098.db2.gz	CIIHZROFUPCXTE-QHAWAJNXSA-N	0	0	358.563	4.605	40	30		FJEBRN
CCCCCCCCc1cc[n+](C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000104132036	222351562	/nfs/dbraw/zinc/35/15/62/222351562.db2.gz	JDGNCVRJCKJQIW-UHFFFAOYSA-O	0	0	364.465	4.683	40	30		FJEBRN
S=C(N=NCc1cccc(OCc2ccccc2)c1)Nc1ccccc1	ZINC000005237131	263339143	/nfs/dbraw/zinc/33/91/43/263339143.db2.gz	KBXOOUPTBOIOMQ-JCMHNJIXSA-N	0	0	361.470	4.997	40	30		FJEBRN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCCC3)sc2C1	ZINC000008471136	263355285	/nfs/dbraw/zinc/35/52/85/263355285.db2.gz	YHPZJSAIPLNRGD-OAHLLOKOSA-N	0	0	373.566	4.585	40	30		FJEBRN
CCCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC	ZINC000009197044	263359883	/nfs/dbraw/zinc/35/98/83/263359883.db2.gz	RINIVJOKWVWBRG-SRZZPIQSSA-N	0	0	367.276	4.915	40	30		FJEBRN
CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1	ZINC000059105815	263416341	/nfs/dbraw/zinc/41/63/41/263416341.db2.gz	WDUYYJIUKRYGKV-GZTJUZNOSA-N	0	0	356.422	4.505	40	30		FJEBRN
C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1	ZINC000408559089	263470671	/nfs/dbraw/zinc/47/06/71/263470671.db2.gz	UHRASJNSUVQHHJ-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC	ZINC000408703666	263485914	/nfs/dbraw/zinc/48/59/14/263485914.db2.gz	WHLOIKMUFYIENL-UHFFFAOYSA-N	0	0	360.251	4.747	40	30		FJEBRN
Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	ZINC000408738018	263494484	/nfs/dbraw/zinc/49/44/84/263494484.db2.gz	LVCLHKXZCICSJY-CIAFOILYSA-N	0	0	352.369	4.587	40	30		FJEBRN
Cc1ccccc1/C=C1\SC(=Nc2cccc(Br)c2)NC1=O	ZINC000408742359	263495246	/nfs/dbraw/zinc/49/52/46/263495246.db2.gz	QTLYXOCUCHIXDS-DHDCSXOGSA-N	0	0	373.275	4.649	40	30		FJEBRN
COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1	ZINC000408854293	263502058	/nfs/dbraw/zinc/50/20/58/263502058.db2.gz	BTSZLMSQIVOJOW-LPYMAVHISA-N	0	0	352.821	4.976	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O	ZINC000408877258	263502588	/nfs/dbraw/zinc/50/25/88/263502588.db2.gz	UOZSPZBQQHCCEZ-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1	ZINC000408910568	263506629	/nfs/dbraw/zinc/50/66/29/263506629.db2.gz	XEZJWRKZUWZION-KLPPEWMLSA-N	0	0	364.470	4.794	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000408981817	263514817	/nfs/dbraw/zinc/51/48/17/263514817.db2.gz	CCWSMEYSHAUYCR-PXNMLYILSA-N	0	0	362.212	4.889	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1	ZINC000409082894	263523947	/nfs/dbraw/zinc/52/39/47/263523947.db2.gz	UCHRPZBPOADIBN-NVNXTCNLSA-N	0	0	362.212	4.889	40	30		FJEBRN
CCOc1cc2c(cc1/C=N/c1ccc(C)cc1Br)OCO2	ZINC000409089009	263524345	/nfs/dbraw/zinc/52/43/45/263524345.db2.gz	MNYRKAOCYMQRPL-DJKKODMXSA-N	0	0	362.223	4.636	40	30		FJEBRN
CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl	ZINC000409083387	263524386	/nfs/dbraw/zinc/52/43/86/263524386.db2.gz	OERSMVSXDLDJPT-JYRVWZFOSA-N	0	0	362.212	4.737	40	30		FJEBRN
C#CCOc1ccc(Cl)cc1/C=C1/c2ccccc2N(CC(C)C)C1=O	ZINC000409110295	263527413	/nfs/dbraw/zinc/52/74/13/263527413.db2.gz	BEPFXYOWXHOGET-UYRXBGFRSA-N	0	0	365.860	4.895	40	30		FJEBRN
Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000409198990	263540889	/nfs/dbraw/zinc/54/08/89/263540889.db2.gz	ATRXQKCTLQDGOQ-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000409199400	263541021	/nfs/dbraw/zinc/54/10/21/263541021.db2.gz	CWOZKRDMYAPEKC-KGENOOAVSA-N	0	0	371.845	4.858	40	30		FJEBRN
Cc1ccccc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	ZINC000409201352	263541230	/nfs/dbraw/zinc/54/12/30/263541230.db2.gz	LRZUMVWGKFVDMP-QNGOZBTKSA-N	0	0	351.427	4.513	40	30		FJEBRN
CC(=C\c1ccccc1)/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2	ZINC000033684925	517346775	/nfs/dbraw/zinc/34/67/75/517346775.db2.gz	AEIWRXJWGCFDOT-GNPDMUCJSA-N	0	0	353.535	4.509	40	30		FJEBRN
C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC1CCCCC1	ZINC000004943784	518796484	/nfs/dbraw/zinc/79/64/84/518796484.db2.gz	LKJOIFKXTKWINQ-UHFFFAOYSA-N	0	0	373.884	4.875	40	30		FJEBRN
C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(F)cc1	ZINC000224920779	518815144	/nfs/dbraw/zinc/81/51/44/518815144.db2.gz	BXMUSUPDZRMKQS-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1	ZINC000225140040	518818810	/nfs/dbraw/zinc/81/88/10/518818810.db2.gz	QJLCBQRPXZVJGL-UHFFFAOYSA-N	0	0	355.484	4.796	40	30		FJEBRN
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225047558	518822616	/nfs/dbraw/zinc/82/26/16/518822616.db2.gz	OSSKBAMVMIRLBU-UHFFFAOYSA-N	0	0	367.470	4.620	40	30		FJEBRN
C=CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000225277176	518950222	/nfs/dbraw/zinc/95/02/22/518950222.db2.gz	BNTFEPXUMCSCGS-UHFFFAOYSA-N	0	0	352.503	4.688	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1	ZINC000225633127	519041778	/nfs/dbraw/zinc/04/17/78/519041778.db2.gz	OWXIYUSGLZTVOV-QGZVFWFLSA-N	0	0	354.519	4.807	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCSc2ccc(C)cc2)c1	ZINC000225287034	519058660	/nfs/dbraw/zinc/05/86/60/519058660.db2.gz	PRINIMBTROZCNB-UHFFFAOYSA-N	0	0	358.532	4.639	40	30		FJEBRN
CCCC(=O)Nc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1	ZINC000006782923	519877369	/nfs/dbraw/zinc/87/73/69/519877369.db2.gz	IXUAVUXIUIRZAG-FYJGNVAPSA-N	0	0	364.474	4.995	40	30		FJEBRN
CCCCCCCCCCC(Nc1nncs1)Nc1nncs1	ZINC000104267175	519981853	/nfs/dbraw/zinc/98/18/53/519981853.db2.gz	RDVLRPYZKVGTEO-UHFFFAOYSA-N	0	0	354.549	4.771	40	30		FJEBRN
CCCCCCCCCCCCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000085911858	519998309	/nfs/dbraw/zinc/99/83/09/519998309.db2.gz	FDSLJAYOPNMZIY-VQTJNVASSA-N	0	0	355.563	4.988	40	30		FJEBRN
CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1	ZINC000225371538	520848244	/nfs/dbraw/zinc/84/82/44/520848244.db2.gz	NADZGKXNRXINQI-YRNVUSSQSA-N	0	0	352.430	4.779	40	30		FJEBRN
CCN1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cn3)cc2[C@@H](C)CC1(C)C	ZINC000223527254	521730480	/nfs/dbraw/zinc/73/04/80/521730480.db2.gz	DYZRRMABYFXMRD-OFJBCHTGSA-N	0	0	367.453	4.548	40	30		FJEBRN
COc1cc(C=NNc2cccc(Cl)c2)ccc1OC(=O)c1ccco1	ZINC000004921169	521993138	/nfs/dbraw/zinc/99/31/38/521993138.db2.gz	QZJWTZSWRMENNK-CIAFOILYSA-N	0	0	370.792	4.607	40	30		FJEBRN
COc1cc(CN=Nc2ccccn2)ccc1OCc1ccccc1Cl	ZINC000005658156	521994064	/nfs/dbraw/zinc/99/40/64/521994064.db2.gz	NCFXDGGOBIFUPB-YDZHTSKRSA-N	0	0	367.836	4.769	40	30		FJEBRN
COc1ccc(-c2nc(CO/N=C/c3ccc(OC(F)F)cc3)co2)cc1	ZINC000022841854	523212217	/nfs/dbraw/zinc/21/22/17/523212217.db2.gz	CICJBTOTAVKBIL-LSHDLFTRSA-N	0	0	374.343	4.502	40	30		FJEBRN
Cc1cccc(CSCCCNC(=S)Nc2ccc(CC#N)cc2)c1	ZINC000225603488	524459126	/nfs/dbraw/zinc/45/91/26/524459126.db2.gz	JDLCYMXULMOLCJ-UHFFFAOYSA-N	0	0	369.559	4.671	40	30		FJEBRN
Fc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccncc3)n2)cc1	ZINC000005667496	526313828	/nfs/dbraw/zinc/31/38/28/526313828.db2.gz	ACINAATZUNRFON-MFKUBSTISA-N	0	0	369.403	4.791	40	30		FJEBRN
N#CCc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1	ZINC000008126314	526482280	/nfs/dbraw/zinc/48/22/80/526482280.db2.gz	QMNSESPSKSRMKR-UHFFFAOYSA-N	0	0	365.285	4.931	40	30		FJEBRN
N#CCc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1	ZINC000225612083	526484269	/nfs/dbraw/zinc/48/42/69/526484269.db2.gz	XZVZBQWYMAFPGO-UHFFFAOYSA-N	0	0	373.522	4.502	40	30		FJEBRN
Cl/C(C=NN1CCN(c2ccc(Cl)cc2)CC1)=C\c1ccccc1	ZINC000238899442	526923904	/nfs/dbraw/zinc/92/39/04/526923904.db2.gz	GKTCKRFZPZONDN-UHFFFAOYSA-N	0	0	360.288	4.728	40	30		FJEBRN
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1ccc(Cl)cc1Cl	ZINC000223745968	527089189	/nfs/dbraw/zinc/08/91/89/527089189.db2.gz	UZVSSMDNUWFIJT-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1cc(Cl)cc(Cl)c1	ZINC000223746047	527089293	/nfs/dbraw/zinc/08/92/93/527089293.db2.gz	VIKULZQPWPWLLG-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
O/N=C/c1ccccc1OCc1nc2ccccc2nc1-c1ccccc1	ZINC000016492039	527588859	/nfs/dbraw/zinc/58/88/59/527588859.db2.gz	XQIFZMDUMAGXBY-OEAKJJBVSA-N	0	0	355.397	4.684	40	30		FJEBRN
CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1	ZINC000038143713	560086476	/nfs/dbraw/zinc/08/64/76/560086476.db2.gz	AIULWNKTYPZYAN-GOSISDBHSA-N	0	0	350.499	4.794	40	30	endogenous,in-man	FJEBRN
C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1	ZINC000223363788	570491724	/nfs/dbraw/zinc/49/17/24/570491724.db2.gz	JYKOTERWRQDGCY-UHFFFAOYSA-N	0	0	371.849	4.676	40	30		FJEBRN
Oc1ccc2ccccc2c1/C=N\c1ccc(I)cc1	ZINC000100248213	570501980	/nfs/dbraw/zinc/50/19/80/570501980.db2.gz	RUIMFQJQZHKUCC-ODLFYWEKSA-N	0	0	373.193	4.901	40	30		FJEBRN
CC(=O)c1ccc(Cl)c(N=Cc2cc(Br)ccc2O)c1	ZINC000104220349	570521076	/nfs/dbraw/zinc/52/10/76/570521076.db2.gz	GKVLOGMTKHPNRD-LSCVHKIXSA-N	0	0	352.615	4.761	40	30		FJEBRN
CCOc1ccc2ccccc2c1/C=N/OCc1cccc([N+](=O)[O-])c1	ZINC000408593337	570573141	/nfs/dbraw/zinc/57/31/41/570573141.db2.gz	PIDPBAULTROZMA-FYJGNVAPSA-N	0	0	350.374	4.697	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(F)cc1	ZINC000408597405	570577156	/nfs/dbraw/zinc/57/71/56/570577156.db2.gz	YXZQUUVSERQIBK-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OC(C)C	ZINC000408597444	570577219	/nfs/dbraw/zinc/57/72/19/570577219.db2.gz	ZURFAPAALHNHHA-SSDVNMTOSA-N	0	0	358.825	4.558	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OCC	ZINC000006959246	570577808	/nfs/dbraw/zinc/57/78/08/570577808.db2.gz	OMFHIIDNPXKQEA-FYJGNVAPSA-N	0	0	372.262	4.919	40	30		FJEBRN
CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCN(C)C2	ZINC000408601190	570579424	/nfs/dbraw/zinc/57/94/24/570579424.db2.gz	IXWAYYPLSLYTJJ-ZDXHCBJDSA-N	0	0	353.491	4.536	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000408603184	570579877	/nfs/dbraw/zinc/57/98/77/570579877.db2.gz	BHJKANXHRSJSFI-UHFFFAOYSA-N	0	0	351.189	4.526	40	30		FJEBRN
COC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C	ZINC000408617658	570586206	/nfs/dbraw/zinc/58/62/06/570586206.db2.gz	AWXWYNXGZMWXJM-BUHFOSPRSA-N	0	0	359.425	4.777	40	30		FJEBRN
Cn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2cccc(Cl)c2)o1	ZINC000007343352	570588150	/nfs/dbraw/zinc/58/81/50/570588150.db2.gz	ZXAILTKGVQSLNQ-CIAFOILYSA-N	0	0	350.809	4.933	40	30		FJEBRN
C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1O	ZINC000408758702	570604674	/nfs/dbraw/zinc/60/46/74/570604674.db2.gz	PKDHJKWJJAHJCK-UYRXBGFRSA-N	0	0	364.470	4.575	40	30		FJEBRN
COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1	ZINC000005293213	570623698	/nfs/dbraw/zinc/62/36/98/570623698.db2.gz	KRVCLKVPTZVXJZ-BSYVCWPDSA-N	0	0	351.446	4.890	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2Cl)NC1=O	ZINC000005376513	570625545	/nfs/dbraw/zinc/62/55/45/570625545.db2.gz	LTDDOHVVLNBYKY-ATVHPVEESA-N	0	0	370.861	4.796	40	30		FJEBRN
CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1[N+](=O)[O-]	ZINC000005393342	570625858	/nfs/dbraw/zinc/62/58/58/570625858.db2.gz	QPABOICBSFPMRS-LDADJPATSA-N	0	0	354.431	4.771	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2c(Cl)cccc2Cl)cc1	ZINC000006032836	570640129	/nfs/dbraw/zinc/64/01/29/570640129.db2.gz	JFJAJMZKUPRYET-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
C#CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1	ZINC000408691670	570649246	/nfs/dbraw/zinc/64/92/46/570649246.db2.gz	KYRRRXWZCWGTLU-CSKARUKUSA-N	0	0	355.231	4.666	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2c1	ZINC000001222312	570649986	/nfs/dbraw/zinc/64/99/86/570649986.db2.gz	MKJZWKBXVVSJHK-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
O=C(Nc1ccccc1F)O/N=C(/C(=O)c1ccccc1)c1ccccc1	ZINC000006927189	570657155	/nfs/dbraw/zinc/65/71/55/570657155.db2.gz	POZYADYEXUOJDH-LYBHJNIJSA-N	0	0	362.360	4.661	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1	ZINC000408708447	570660363	/nfs/dbraw/zinc/66/03/63/570660363.db2.gz	IBPNVTMNBQVRGQ-UHFFFAOYSA-N	0	0	362.514	4.527	40	30		FJEBRN
Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c(C)c([N+](=O)[O-])c1	ZINC000408718395	570672953	/nfs/dbraw/zinc/67/29/53/570672953.db2.gz	WSSZJPJGYFEUAB-UHFFFAOYSA-N	0	0	373.364	4.934	40	30		FJEBRN
COc1cc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccc1O	ZINC000408718525	570673052	/nfs/dbraw/zinc/67/30/52/570673052.db2.gz	VHYRDSANXSKFGL-OEAKJJBVSA-N	0	0	371.396	4.868	40	30		FJEBRN
Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408740726	570687686	/nfs/dbraw/zinc/68/76/86/570687686.db2.gz	LWZHJIPDWKOOOL-HYARGMPZSA-N	0	0	362.433	4.819	40	30		FJEBRN
Cc1c(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c2ccccc2n1C	ZINC000408806887	570688353	/nfs/dbraw/zinc/68/83/53/570688353.db2.gz	BNCREGSGZJXKIP-UNOMPAQXSA-N	0	0	361.470	4.687	40	30		FJEBRN
COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	ZINC000408811097	570688760	/nfs/dbraw/zinc/68/87/60/570688760.db2.gz	QOJNFMDZMKTOOW-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(O)c1	ZINC000408749355	570689443	/nfs/dbraw/zinc/68/94/43/570689443.db2.gz	NPWZPUIDFGQLIV-VGOFMYFVSA-N	0	0	365.241	4.591	40	30		FJEBRN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408820112	570689966	/nfs/dbraw/zinc/68/99/66/570689966.db2.gz	VEWKWXZEJFIHCS-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
O=[N+]([O-])c1ccc(Cl)c(/C=N/NCc2c(Cl)cccc2Cl)c1	ZINC000009195829	570692724	/nfs/dbraw/zinc/69/27/24/570692724.db2.gz	DCHBNEVRDKPDLL-CNHKJKLMSA-N	0	0	358.612	4.679	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1C	ZINC000408857178	570692910	/nfs/dbraw/zinc/69/29/10/570692910.db2.gz	JWHLUCQDNIEEEW-YVLHZVERSA-N	0	0	372.877	4.857	40	30		FJEBRN
COC(=O)c1cc(/N=C\c2ccc(N3CCCC3)c(C)c2)ccc1Cl	ZINC000408857689	570692994	/nfs/dbraw/zinc/69/29/94/570692994.db2.gz	VTVDWACFVYATPT-XKZIYDEJSA-N	0	0	356.853	4.786	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1	ZINC000408866442	570693745	/nfs/dbraw/zinc/69/37/45/570693745.db2.gz	FVDSJDJFULTTMR-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)c1	ZINC000408864864	570693838	/nfs/dbraw/zinc/69/38/38/570693838.db2.gz	AQSIRHDKQZUONS-YVLHZVERSA-N	0	0	372.877	4.857	40	30		FJEBRN
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1	ZINC000408870855	570694291	/nfs/dbraw/zinc/69/42/91/570694291.db2.gz	VVBVPTTWEJVWPZ-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCn1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21	ZINC000408899682	570695904	/nfs/dbraw/zinc/69/59/04/570695904.db2.gz	VJDCJMSDFSNTHJ-UHFFFAOYSA-N	0	0	374.484	4.704	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1	ZINC000408906727	570696974	/nfs/dbraw/zinc/69/69/74/570696974.db2.gz	DJYJPGPERRODPY-FBPBHIITSA-N	0	0	358.850	4.588	40	30		FJEBRN
CC(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000408906631	570697038	/nfs/dbraw/zinc/69/70/38/570697038.db2.gz	CNYGZMNAFVYCRV-QHHAONBESA-N	0	0	367.430	4.607	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccccc2F)cc1	ZINC000408912474	570697534	/nfs/dbraw/zinc/69/75/34/570697534.db2.gz	QXDOMGQXVDIEEA-XKZIYDEJSA-N	0	0	365.364	4.759	40	30		FJEBRN
C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O	ZINC000408902966	570697566	/nfs/dbraw/zinc/69/75/66/570697566.db2.gz	STNHGDJVQDDLLV-SFQUDFHCSA-N	0	0	353.468	4.527	40	30		FJEBRN
CCOc1cc(Cl)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC	ZINC000408912503	570698077	/nfs/dbraw/zinc/69/80/77/570698077.db2.gz	HPOBQTIXTDDKBZ-UHFFFAOYSA-N	0	0	356.805	4.600	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C(C)C)cc1	ZINC000408915068	570698838	/nfs/dbraw/zinc/69/88/38/570698838.db2.gz	PAGCMTFSOUDBGV-KDWIEBRMSA-N	0	0	352.459	4.713	40	30		FJEBRN
CC/N=C1/S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C(=O)N1CC	ZINC000408931726	570700023	/nfs/dbraw/zinc/70/00/23/570700023.db2.gz	PKDDCEYHSBEGAU-ZNOVPNRESA-N	0	0	355.507	4.924	40	30		FJEBRN
C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)N1C	ZINC000408928722	570700296	/nfs/dbraw/zinc/70/02/96/570700296.db2.gz	DXXUFVTVTPOOKP-DNCSRFGUSA-N	0	0	373.909	4.588	40	30		FJEBRN
Cc1cc(N2CCCCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000408931172	570700719	/nfs/dbraw/zinc/70/07/19/570700719.db2.gz	HZGVKFADKLUZCI-HKOYGPOVSA-N	0	0	363.505	4.573	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21	ZINC000408946127	570701708	/nfs/dbraw/zinc/70/17/08/570701708.db2.gz	YARGJMYYAXSLRF-XDHOZWIPSA-N	0	0	361.372	4.874	40	30		FJEBRN
C=CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1	ZINC000408969909	570705090	/nfs/dbraw/zinc/70/50/90/570705090.db2.gz	WTRHQGIFWYBONP-LGMDPLHJSA-N	0	0	372.346	4.600	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)c1	ZINC000408968085	570705108	/nfs/dbraw/zinc/70/51/08/570705108.db2.gz	UEIOSOHWVYNZJL-UCQKPKSFSA-N	0	0	362.429	4.727	40	30		FJEBRN
COc1ccc2ccc(OC)c(C=NNc3ccc4ccccc4n3)c2c1	ZINC000409020133	570713962	/nfs/dbraw/zinc/71/39/62/570713962.db2.gz	MAQMFASBXCOHFP-OEAKJJBVSA-N	0	0	357.413	4.851	40	30		FJEBRN
CCCCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000409032928	570714675	/nfs/dbraw/zinc/71/46/75/570714675.db2.gz	DWSHOZQZTGXPFC-AFPJDJCSSA-N	0	0	360.273	4.579	40	30		FJEBRN
CC[C@@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000409030019	570714704	/nfs/dbraw/zinc/71/47/04/570714704.db2.gz	BPRULXRBKORSCC-NZYWVQMMSA-N	0	0	360.273	4.578	40	30		FJEBRN
C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409057911	570717302	/nfs/dbraw/zinc/71/73/02/570717302.db2.gz	MWFYJTKXAMVMNF-ATVHPVEESA-N	0	0	369.829	4.593	40	30		FJEBRN
COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1	ZINC000409055608	570717651	/nfs/dbraw/zinc/71/76/51/570717651.db2.gz	ZUFCGNCHTKOWTL-UZYVYHOESA-N	0	0	351.427	4.561	40	30		FJEBRN
Cc1cccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)c1C	ZINC000409063600	570718027	/nfs/dbraw/zinc/71/80/27/570718027.db2.gz	CUUFUZDUSCILIB-WYMPLXKRSA-N	0	0	358.367	4.954	40	30		FJEBRN
CC[C@@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC	ZINC000409093982	570721083	/nfs/dbraw/zinc/72/10/83/570721083.db2.gz	CDXDVLLEXQAPDA-BCFXSHNWSA-N	0	0	367.371	4.732	40	30		FJEBRN
Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cc(C)ccn1	ZINC000409103469	570722666	/nfs/dbraw/zinc/72/26/66/570722666.db2.gz	WPCHONYDNMHZJW-KIBLKLHPSA-N	0	0	373.382	4.657	40	30		FJEBRN
Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(O)cc1	ZINC000409097495	570722984	/nfs/dbraw/zinc/72/29/84/570722984.db2.gz	MKCRVYLESOXOFY-YSURURNPSA-N	0	0	374.366	4.660	40	30		FJEBRN
CCOc1cc2c(cc1/C=N\c1ccc(Br)c(C)c1)OCO2	ZINC000409095670	570723071	/nfs/dbraw/zinc/72/30/71/570723071.db2.gz	IFRZWXIREFCGFS-OCKHKDLRSA-N	0	0	362.223	4.636	40	30		FJEBRN
CCOc1cc2c(cc1/C=N/c1ccc(Br)cc1C)OCO2	ZINC000409105863	570726636	/nfs/dbraw/zinc/72/66/36/570726636.db2.gz	JJAWWGQVJYSGPN-DJKKODMXSA-N	0	0	362.223	4.636	40	30		FJEBRN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Cl)cc1OC	ZINC000409108384	570727116	/nfs/dbraw/zinc/72/71/16/570727116.db2.gz	XDKUMLRMXAJJRY-GZIVZEMBSA-N	0	0	373.762	4.607	40	30		FJEBRN
CC(C)/N=C1\S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1C(C)C	ZINC000409203443	570740239	/nfs/dbraw/zinc/74/02/39/570740239.db2.gz	WJLRMEXVKMUAEZ-PXSLEKJFSA-N	0	0	356.413	4.795	40	30		FJEBRN
COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1O	ZINC000409212169	570740970	/nfs/dbraw/zinc/74/09/70/570740970.db2.gz	NOFQGDNTLHPSTK-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
COc1ccc(/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	ZINC000409218118	570741924	/nfs/dbraw/zinc/74/19/24/570741924.db2.gz	SRUCMBFWZSDWKR-BUVRLJJBSA-N	0	0	374.440	4.772	40	30		FJEBRN
C=CCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	ZINC000409345931	570752858	/nfs/dbraw/zinc/75/28/58/570752858.db2.gz	MTVQYJBIEHAZEU-AQTBWJFISA-N	0	0	367.495	4.653	40	30		FJEBRN
CCOC(=O)c1cccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c1	ZINC000409369790	570753775	/nfs/dbraw/zinc/75/37/75/570753775.db2.gz	XXJFDNRCXBQSGJ-NBVRZTHBSA-N	0	0	358.393	4.946	40	30		FJEBRN
COC(=O)c1ccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)o1	ZINC000409392136	570755956	/nfs/dbraw/zinc/75/59/56/570755956.db2.gz	LIZVFWYRLRPILZ-YDZHTSKRSA-N	0	0	373.412	4.515	40	30		FJEBRN
CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1	ZINC000409393269	570756556	/nfs/dbraw/zinc/75/65/56/570756556.db2.gz	WQRLPFDUUAFVHB-UHFFFAOYSA-N	0	0	372.376	4.586	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	ZINC000100138568	570759500	/nfs/dbraw/zinc/75/95/00/570759500.db2.gz	KVQVUDVYXSGLSB-HAHDFKILSA-N	0	0	350.462	4.573	40	30		FJEBRN
Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc(C)c1O	ZINC000105966461	570778501	/nfs/dbraw/zinc/77/85/01/570778501.db2.gz	PXPJBIXHTANGLK-NVNXTCNLSA-N	0	0	358.850	4.554	40	30		FJEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1	ZINC000006613706	570783653	/nfs/dbraw/zinc/78/36/53/570783653.db2.gz	ARQNCERYCFLVOW-RGEXLXHISA-N	0	0	359.454	4.677	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1	ZINC000014783799	570857935	/nfs/dbraw/zinc/85/79/35/570857935.db2.gz	LRMOPPJPFDPVMX-INIZCTEOSA-N	0	0	353.462	4.955	40	30		FJEBRN
C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118931309	570871089	/nfs/dbraw/zinc/87/10/89/570871089.db2.gz	OXHFKWFVXTYEGN-QCSZUPTKSA-N	0	0	374.565	4.514	40	30		FJEBRN
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000118925082	570871351	/nfs/dbraw/zinc/87/13/51/570871351.db2.gz	OLSBKXRYHRHMMU-VGGPIMSLSA-N	0	0	356.506	4.862	40	30		FJEBRN
Oc1cc(Br)ccc1/C=N\c1ccc(N2CCCCC2)cc1	ZINC000017858074	570873608	/nfs/dbraw/zinc/87/36/08/570873608.db2.gz	USJAQHQDLYPMHB-MOSHPQCFSA-N	0	0	359.267	4.896	40	30		FJEBRN
CN(c1ccccc1)c1ccc(/C=N/N=c2/sc3ccccc3n2C)cc1	ZINC000003456219	570890031	/nfs/dbraw/zinc/89/00/31/570890031.db2.gz	ZEQGKJKXUCZRQG-VBIHIHSNSA-N	0	0	372.497	4.943	40	30		FJEBRN
C=CCOc1ccc(C=C2SC(Nc3ccccc3Cl)=NC2=O)cc1	ZINC000002668842	570968446	/nfs/dbraw/zinc/96/84/46/570968446.db2.gz	DAMAMJSRFPJKIX-SFQUDFHCSA-N	0	0	370.861	4.987	40	30		FJEBRN
COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225498503	571040083	/nfs/dbraw/zinc/04/00/83/571040083.db2.gz	LZMNIRFUCUQQOZ-FQEVSTJZSA-N	0	0	367.518	4.835	40	30		FJEBRN
CN(/N=C\c1ccccc1)C(c1ccccc1)N(C)/N=C\c1ccccc1	ZINC000031647899	571055161	/nfs/dbraw/zinc/05/51/61/571055161.db2.gz	OTAJGECFDSUQPP-GJEUYDLNSA-N	0	0	356.473	4.617	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c1	ZINC000059461356	571089604	/nfs/dbraw/zinc/08/96/04/571089604.db2.gz	HTNUXXRIFPECBX-YZJQUUSSSA-N	0	0	352.415	4.886	40	30		FJEBRN
Cc1cccc(C(=O)Oc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)c1	ZINC000059417080	571090399	/nfs/dbraw/zinc/09/03/99/571090399.db2.gz	FKNHDPFOQWFASP-OEAKJJBVSA-N	0	0	370.412	4.537	40	30		FJEBRN
Cc1nc(N=NC(C)c2ccc(OCc3ccccc3)cc2)sc1C	ZINC000059503443	571091605	/nfs/dbraw/zinc/09/16/05/571091605.db2.gz	IMVKTEMBPOJICR-PXLXIMEGSA-N	0	0	351.475	4.597	40	30		FJEBRN
C=CCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OCC)c1O	ZINC000059679481	571092206	/nfs/dbraw/zinc/09/22/06/571092206.db2.gz	ULHNBASGHGVVIN-RGVLZGJSSA-N	0	0	360.797	4.832	40	30		FJEBRN
CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(C)cc3)nc2c1	ZINC000035288714	571140129	/nfs/dbraw/zinc/14/01/29/571140129.db2.gz	AOEJHTPMLPCSBJ-UHFFFAOYSA-N	0	0	362.454	4.789	40	30		FJEBRN
C#CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1	ZINC000216814440	571147501	/nfs/dbraw/zinc/14/75/01/571147501.db2.gz	AJYJOJVCDFWOBI-UHFFFAOYSA-N	0	0	353.176	4.502	40	30		FJEBRN
O/N=C\c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1	ZINC000216811194	571147554	/nfs/dbraw/zinc/14/75/54/571147554.db2.gz	NDEBTWOIFNGYMH-WSVATBPTSA-N	0	0	358.594	4.629	40	30		FJEBRN
CC1=C(C(=O)c2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=O)N1	ZINC000026780245	571169073	/nfs/dbraw/zinc/16/90/73/571169073.db2.gz	QPZKPCZBUUQBOI-INIZCTEOSA-N	0	0	361.228	4.504	40	30		FJEBRN
O=C(c1nc(Cl)ccc1Cl)N1CCCS/C1=N\c1ccccc1	ZINC000097980285	571188282	/nfs/dbraw/zinc/18/82/82/571188282.db2.gz	XNXRPJYPPKOKNF-MNDPQUGUSA-N	0	0	366.273	4.655	40	30		FJEBRN
CCNC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1	ZINC000026896855	571202853	/nfs/dbraw/zinc/20/28/53/571202853.db2.gz	VFBSIEKYWFEUHL-KRWDZBQOSA-N	0	0	371.889	4.791	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1	ZINC000222857860	571237280	/nfs/dbraw/zinc/23/72/80/571237280.db2.gz	HREPDAWOWHIRCS-MRXNPFEDSA-N	0	0	351.446	4.536	40	30		FJEBRN
C#CCOc1ccc(CNc2ccc(Br)cc2)cc1Cl	ZINC000006295411	571295656	/nfs/dbraw/zinc/29/56/56/571295656.db2.gz	XYQCTIPSFWAVHB-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
N#Cc1ccccc1COc1ccc(C(=S)N2CCCCC2)cc1Cl	ZINC000006473792	571296496	/nfs/dbraw/zinc/29/64/96/571296496.db2.gz	FLGBJLBGGREXRR-UHFFFAOYSA-N	0	0	370.905	4.952	40	30		FJEBRN
Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1NC(=O)c1ccccc1	ZINC000008334622	571300877	/nfs/dbraw/zinc/30/08/77/571300877.db2.gz	VNWGHDQQBZNUEQ-FSJBWODESA-N	0	0	353.372	4.518	40	30		FJEBRN
Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(C)cc1	ZINC000028217516	571305316	/nfs/dbraw/zinc/30/53/16/571305316.db2.gz	WNVVPWOIPJCKRG-HYARGMPZSA-N	0	0	362.502	4.723	40	30		FJEBRN
CC1CCN(C(=S)c2ccccc2OCc2ccccc2C#N)CC1	ZINC000107723039	571306876	/nfs/dbraw/zinc/30/68/76/571306876.db2.gz	YNRTZIIVUULMGU-UHFFFAOYSA-N	0	0	350.487	4.545	40	30		FJEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)C(c1ccccc1)c1ccccc1	ZINC000005556251	571310297	/nfs/dbraw/zinc/31/02/97/571310297.db2.gz	NTSOIOUFVOLAGK-DAFNUICNSA-N	0	0	373.452	4.829	40	30		FJEBRN
COc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(F)cc1	ZINC000012129051	571310485	/nfs/dbraw/zinc/31/04/85/571310485.db2.gz	OUKZPKDYBVNLGZ-UFFVCSGVSA-N	0	0	371.437	4.624	40	30		FJEBRN
COc1cccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)c1	ZINC000010039242	571310544	/nfs/dbraw/zinc/31/05/44/571310544.db2.gz	MIADJZVZWJIQEI-UZYVYHOESA-N	0	0	351.427	4.561	40	30		FJEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000039009206	571310732	/nfs/dbraw/zinc/31/07/32/571310732.db2.gz	WNRJZYGZYSQFDI-QGMBQPNBSA-N	0	0	367.261	4.578	40	30		FJEBRN
Cc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc(C)c1O	ZINC000109018902	571311028	/nfs/dbraw/zinc/31/10/28/571311028.db2.gz	WNSNPJCNQZNWCR-DHDCSXOGSA-N	0	0	358.850	4.554	40	30		FJEBRN
N#Cc1ccccc1CSc1nnc(COc2ccc3ccccc3c2)o1	ZINC000409006662	571319453	/nfs/dbraw/zinc/31/94/53/571319453.db2.gz	KJPFRUWWVNEGFP-UHFFFAOYSA-N	0	0	373.437	4.966	40	30		FJEBRN
N#Cc1ccccc1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000329062373	571326634	/nfs/dbraw/zinc/32/66/34/571326634.db2.gz	WXBKNVYCSGDJLL-UHFFFAOYSA-N	0	0	374.753	4.853	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1	ZINC000225761440	571338203	/nfs/dbraw/zinc/33/82/03/571338203.db2.gz	UYTNBGMLJIKMKZ-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1	ZINC000225833164	571338521	/nfs/dbraw/zinc/33/85/21/571338521.db2.gz	YCOZRJIXAJZZCC-XFQAVAEZSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCC1	ZINC000225851967	571338722	/nfs/dbraw/zinc/33/87/22/571338722.db2.gz	XQGOOHUKQPXQMB-INIZCTEOSA-N	0	0	358.482	4.804	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225854820	571338728	/nfs/dbraw/zinc/33/87/28/571338728.db2.gz	UDOLYPKJVXFNHL-VGSWGCGISA-N	0	0	372.509	4.907	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C#N	ZINC000225854596	571338733	/nfs/dbraw/zinc/33/87/33/571338733.db2.gz	KNLIGNCYDBPPJJ-HRAATJIYSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1	ZINC000225861747	571338877	/nfs/dbraw/zinc/33/88/77/571338877.db2.gz	IPGGRYUEZIZAAY-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000003044168	571343985	/nfs/dbraw/zinc/34/39/85/571343985.db2.gz	XGKQCPIEHGHZSS-GDNBJRDFSA-N	0	0	361.875	4.987	40	30		FJEBRN
CCC(C)N=Nc1nc2cc(C)c(I)c(C)c2s1	ZINC000045888635	210189037	/nfs/dbraw/zinc/18/90/37/210189037.db2.gz	KJSIUJUMJKJQOK-PXNMLYILSA-N	0	0	373.263	4.716	40	30		FJEBRN
C=CCc1cc(C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1OC	ZINC000218656589	210175569	/nfs/dbraw/zinc/17/55/69/210175569.db2.gz	QZWYXSXRODCNFT-UHFFFAOYSA-N	0	0	367.489	4.574	40	30		FJEBRN
C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000219814257	210175231	/nfs/dbraw/zinc/17/52/31/210175231.db2.gz	XGUBAZZVIQMAJY-QGZVFWFLSA-N	0	0	353.487	4.997	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC(=CCc2ccccc2)c2ccc(O)cc2)cc1	ZINC000026570563	210160596	/nfs/dbraw/zinc/16/05/96/210160596.db2.gz	HZHNQIFVKLTLRK-NERVAKQKSA-N	0	0	359.385	4.830	40	30		FJEBRN
C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(C(=O)OCC)cc1	ZINC000014356513	210144323	/nfs/dbraw/zinc/14/43/23/210144323.db2.gz	SYCWEGXJPJATGJ-DQRAZIAOSA-N	0	0	364.470	4.812	40	30		FJEBRN
C=CCOc1ccccc1C=C1SC(Nc2ccc(CC)cc2)=NC1=O	ZINC000006870997	210108401	/nfs/dbraw/zinc/10/84/01/210108401.db2.gz	VUBPDAHNIWQXMZ-RGEXLXHISA-N	0	0	364.470	4.896	40	30		FJEBRN
C=CCOc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1	ZINC000065749272	210099657	/nfs/dbraw/zinc/09/96/57/210099657.db2.gz	RRNFOPGVNFWMAP-UHFFFAOYSA-N	0	0	366.642	4.920	40	30		FJEBRN
COc1cc(C#N)cc(Br)c1OCc1ccccc1Cl	ZINC000006180898	210086445	/nfs/dbraw/zinc/08/64/45/210086445.db2.gz	XXKDGXOFBMEBHR-UHFFFAOYSA-N	0	0	352.615	4.562	40	30		FJEBRN
Cc1ccc(-c2nn(-c3cc(Cl)ccc3C)c(N)c2C#N)c(Cl)c1	ZINC000039955187	210044951	/nfs/dbraw/zinc/04/49/51/210044951.db2.gz	QBGBPYJORBKDKH-UHFFFAOYSA-N	0	0	357.244	4.917	40	30		FJEBRN
CCC(=O)O[C@@H]1[C@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000000538592	219305201	/nfs/dbraw/zinc/30/52/01/219305201.db2.gz	AFBZBYQKIMBONK-QKYFFWMQSA-N	0	0	362.485	4.788	40	30		FJEBRN
CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	ZINC000000782893	219320459	/nfs/dbraw/zinc/32/04/59/219320459.db2.gz	KTAKCPOZJGVXEG-UHFFFAOYSA-N	0	0	360.866	4.803	40	30		FJEBRN
N#Cc1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2	ZINC000000921319	219341160	/nfs/dbraw/zinc/34/11/60/219341160.db2.gz	SEGMJUPCVAKBHS-UHFFFAOYSA-N	0	0	362.454	4.669	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2c1	ZINC000001354446	219397945	/nfs/dbraw/zinc/39/79/45/219397945.db2.gz	MFEHHWXDLOYSFF-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1	ZINC000225705075	222861788	/nfs/dbraw/zinc/86/17/88/222861788.db2.gz	YDQHDWNJJSSYGR-FQEVSTJZSA-N	0	0	368.502	4.624	40	30		FJEBRN
N#Cc1c(N)nc(SCc2ccccc2Cl)nc1C1CCCCC1	ZINC000225895002	222878027	/nfs/dbraw/zinc/87/80/27/222878027.db2.gz	MRSKMCSMKSBUBZ-UHFFFAOYSA-N	0	0	358.898	4.924	40	30		FJEBRN
CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1	ZINC000004859429	219615657	/nfs/dbraw/zinc/61/56/57/219615657.db2.gz	SGVLKDYVBIAEEN-XKZIYDEJSA-N	0	0	361.401	4.956	40	30		FJEBRN
C=CCSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1	ZINC000007594422	203840441	/nfs/dbraw/zinc/84/04/41/203840441.db2.gz	HLQTTYSAWDPDJE-UHFFFAOYSA-N	0	0	353.472	4.736	40	30		FJEBRN
Cc1cc2c(cc1C)[C@@](O)(C#Cc1ccccc1)c1c(C)ccc(C)c1C2=O	ZINC000001564278	203861191	/nfs/dbraw/zinc/86/11/91/203861191.db2.gz	FRMGFUBLZJXOMI-SANMLTNESA-N	0	0	366.460	4.752	40	30		FJEBRN
N#CCCC(CCC#N)(CCC#N)C(=O)c1ccc(Br)cc1	ZINC000001676308	204015998	/nfs/dbraw/zinc/01/59/98/204015998.db2.gz	MQGITUNIRPTAGA-UHFFFAOYSA-N	0	0	358.239	4.530	40	30		FJEBRN
C=CCn1c(-c2ccc(OCC)cc2)cs/c1=N\N=C/c1ccccc1	ZINC000004476828	204140497	/nfs/dbraw/zinc/14/04/97/204140497.db2.gz	PFERSGPEYKXLQD-VEKUZUDLSA-N	0	0	363.486	4.736	40	30		FJEBRN
Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c2ccccc21	ZINC000005376652	204205510	/nfs/dbraw/zinc/20/55/10/204205510.db2.gz	CNALDCYZRSSZCC-LICLKQGHSA-N	0	0	367.861	4.723	40	30		FJEBRN
Cc1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1	ZINC000005376303	204206177	/nfs/dbraw/zinc/20/61/77/204206177.db2.gz	QPAOOTPSWRROAY-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
N#Cc1c(=O)n(N=C2CCCCC2)c(-c2ccccc2)cc1C(F)(F)F	ZINC000005667346	204219912	/nfs/dbraw/zinc/21/99/12/204219912.db2.gz	NXROQGZPOPTPLJ-UHFFFAOYSA-N	0	0	359.351	4.574	40	30		FJEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1	ZINC000005551450	204214220	/nfs/dbraw/zinc/21/42/20/204214220.db2.gz	ITNKDFIQRVZXCU-COVZNBLNSA-N	0	0	350.443	4.533	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2cccc(OCc3ccc(F)cc3)c2)cc1	ZINC000006220825	204240671	/nfs/dbraw/zinc/24/06/71/204240671.db2.gz	ZFAPKNHUZVVEFO-LPYMAVHISA-N	0	0	365.364	4.759	40	30		FJEBRN
COc1cccc(/C=C/c2nc(C#N)c(NCc3ccc(Cl)cc3)o2)c1	ZINC000008494550	204332645	/nfs/dbraw/zinc/33/26/45/204332645.db2.gz	JQDVCHLWOGEXLK-JXMROGBWSA-N	0	0	365.820	4.991	40	30		FJEBRN
CCN(CC)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195846	204357768	/nfs/dbraw/zinc/35/77/68/204357768.db2.gz	AUWJZHWZMSKLNT-CIAFOILYSA-N	0	0	350.293	4.963	40	30		FJEBRN
O=C(C(=NNc1ccccc1)C(=S)Nc1ccccc1)c1ccccc1	ZINC000018211543	204663602	/nfs/dbraw/zinc/66/36/02/204663602.db2.gz	YTHWCAALYYVHDG-LYBHJNIJSA-N	0	0	359.454	4.777	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1	ZINC000225932585	206119523	/nfs/dbraw/zinc/11/95/23/206119523.db2.gz	NKNOSOLJITYEBZ-UHFFFAOYSA-N	0	0	371.864	4.592	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1	ZINC000225705055	206120011	/nfs/dbraw/zinc/12/00/11/206120011.db2.gz	YDQHDWNJJSSYGR-HXUWFJFHSA-N	0	0	368.502	4.624	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc2c1	ZINC000000898897	206139517	/nfs/dbraw/zinc/13/95/17/206139517.db2.gz	TYERPAWEQNWEDX-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1cccc(NC(=S)N/N=C/c2ccc(-c3ccccc3)cc2)c1	ZINC000003250787	206159542	/nfs/dbraw/zinc/15/95/42/206159542.db2.gz	OKGAFJZQUHJRAC-PXLXIMEGSA-N	0	0	361.470	4.683	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1	ZINC000001354229	206147929	/nfs/dbraw/zinc/14/79/29/206147929.db2.gz	MJQWQABKEBBCDC-UHFFFAOYSA-N	0	0	362.454	4.559	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2c1	ZINC000001354418	206148269	/nfs/dbraw/zinc/14/82/69/206148269.db2.gz	WNAFQVPEBPFAEH-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
COc1cccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1	ZINC000001354482	206149046	/nfs/dbraw/zinc/14/90/46/206149046.db2.gz	UJCBOAGYVGHWDD-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
CC(C)(C)C#CSc1nsc(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000004984734	206184765	/nfs/dbraw/zinc/18/47/65/206184765.db2.gz	YAJOEBLABSUHAC-UHFFFAOYSA-N	0	0	366.899	4.935	40	30		FJEBRN
COc1ccc(C(C)=NNc2ccnc3cc(Cl)ccc32)c(OC)c1	ZINC000007949608	206212324	/nfs/dbraw/zinc/21/23/24/206212324.db2.gz	CBDWAQCPHFHQQG-WSDLNYQXSA-N	0	0	355.825	4.742	40	30		FJEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000006684845	206242737	/nfs/dbraw/zinc/24/27/37/206242737.db2.gz	JZGJMVGEMUENBX-QGMBQPNBSA-N	0	0	367.261	4.578	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccccc1	ZINC000017073067	206322285	/nfs/dbraw/zinc/32/22/85/206322285.db2.gz	QZSCFBFGVKUVRA-HOOMGSECSA-N	0	0	352.459	4.709	40	30		FJEBRN
CCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)ccc1O	ZINC000019866274	206328540	/nfs/dbraw/zinc/32/85/40/206328540.db2.gz	BVNJRWLAORFTIF-UHFFFAOYSA-N	0	0	365.820	4.627	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1	ZINC000225683662	206492953	/nfs/dbraw/zinc/49/29/53/206492953.db2.gz	ZKOKDJJXPVCUCX-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N	ZINC000225681859	206493361	/nfs/dbraw/zinc/49/33/61/206493361.db2.gz	IOUDEOQEGQREJG-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1	ZINC000225798799	206500121	/nfs/dbraw/zinc/50/01/21/206500121.db2.gz	HCHXILVCWDJUTD-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCCC1	ZINC000225830861	206502557	/nfs/dbraw/zinc/50/25/57/206502557.db2.gz	XAOOTNXVYXHRMW-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccc(Cc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)cc1	ZINC000225846835	206503073	/nfs/dbraw/zinc/50/30/73/206503073.db2.gz	DVHAFTKDVIZWGM-UHFFFAOYSA-N	0	0	371.271	4.591	40	30		FJEBRN
CCN(CC)c1ccc(/N=C2/C(C)=Nn3c4cc(Cl)ccc4nc32)cc1	ZINC000016678185	211166914	/nfs/dbraw/zinc/16/69/14/211166914.db2.gz	XWKTWIYSMDFAGL-QOCHGBHMSA-N	0	0	365.868	4.894	40	30		FJEBRN
COc1ccccc1/C=C1\S/C(=N\c2cccc3ccccc32)NC1=O	ZINC000012032521	210909614	/nfs/dbraw/zinc/90/96/14/210909614.db2.gz	LUBSDBSKCKCSSV-UYRXBGFRSA-N	0	0	360.438	4.740	40	30		FJEBRN
CC1(C)[C@@H]2C[C@H]1C(C=NN1C(=S)N=NC1c1ccccc1Cl)=CC2	ZINC000007990899	210766079	/nfs/dbraw/zinc/76/60/79/210766079.db2.gz	OGOGUNCUNDDLJR-RXYWKKKQSA-N	0	0	358.898	4.714	40	30		FJEBRN
O/N=C1C(=C/c2ccc(F)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(F)cc1	ZINC000006511962	210677250	/nfs/dbraw/zinc/67/72/50/210677250.db2.gz	UXDMUBQZCGHXNL-IDUCTXRKSA-N	0	0	358.388	4.699	40	30		FJEBRN
COc1ccc([C@@H]2CCCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001715759	210368062	/nfs/dbraw/zinc/36/80/62/210368062.db2.gz	MCABBJPUFYFWOF-SFTDATJTSA-N	0	0	374.502	4.825	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccccc3F)cc2)cc1	ZINC000034897144	210268465	/nfs/dbraw/zinc/26/84/65/210268465.db2.gz	JRRHORHCSUWZKB-XKZIYDEJSA-N	0	0	365.364	4.759	40	30		FJEBRN
CC(C)(C)OC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2	ZINC000000756930	210268421	/nfs/dbraw/zinc/26/84/21/210268421.db2.gz	HYCCRHQSUOTYEQ-UHFFFAOYSA-N	0	0	372.515	4.604	40	30		FJEBRN
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21	ZINC000208440235	132268603	/nfs/dbraw/zinc/26/86/03/132268603.db2.gz	PMHFLZNOLSXJGS-HMAPJEAMSA-N	0	0	364.518	4.639	40	30		FJEBRN
CCCCCCCCOC(=O)COCC(=O)OCCCCCCCC	ZINC000100313421	222241507	/nfs/dbraw/zinc/24/15/07/222241507.db2.gz	RIDUWSCSWADNHH-UHFFFAOYSA-N	0	0	358.519	4.810	40	30		FJEBRN
CCCCCCCCCCCCNC(=S)N(CCC#N)CCC#N	ZINC000100933980	222257360	/nfs/dbraw/zinc/25/73/60/222257360.db2.gz	ABMBLQVZBQAMQS-UHFFFAOYSA-N	0	0	350.576	4.911	40	30		FJEBRN
CCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1	ZINC000100998441	222259056	/nfs/dbraw/zinc/25/90/56/222259056.db2.gz	CAFLBWIBECLYCI-UHFFFAOYSA-N	0	0	357.498	4.774	40	30		FJEBRN
CC(=O)Nc1c(/N=C\c2ccc([N+](=O)[O-])cc2)cc2c3c(cccc31)CC2	ZINC000104061337	222351027	/nfs/dbraw/zinc/35/10/27/222351027.db2.gz	PNQBCBUKGJVUEU-UUYOSTAYSA-N	0	0	359.385	4.556	40	30		FJEBRN
C=C[C@H](CC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000005080642	263338706	/nfs/dbraw/zinc/33/87/06/263338706.db2.gz	PBVVVCSDMBFICK-NFECSFHCSA-N	0	0	354.366	4.651	40	30		FJEBRN
COc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O	ZINC000006453643	263345211	/nfs/dbraw/zinc/34/52/11/263345211.db2.gz	QLYFEPJXXPZHQY-KEBDBYFISA-N	0	0	364.283	4.551	40	30		FJEBRN
COc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1OC	ZINC000007350346	263350571	/nfs/dbraw/zinc/35/05/71/263350571.db2.gz	KCBDDNWYNAMSMK-FYJGNVAPSA-N	0	0	353.447	4.663	40	30		FJEBRN
C=CCn1c(COc2ccccc2)nnc1SCc1cccc(C)c1	ZINC000009030116	263358149	/nfs/dbraw/zinc/35/81/49/263358149.db2.gz	QYYGPJIXHJIWHZ-UHFFFAOYSA-N	0	0	351.475	4.644	40	30		FJEBRN
CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1O	ZINC000009195339	263359861	/nfs/dbraw/zinc/35/98/61/263359861.db2.gz	DHSWLTYXBVBSDN-DNTJNYDQSA-N	0	0	373.667	4.875	40	30		FJEBRN
COc1ccccc1CN/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	ZINC000020762467	263382391	/nfs/dbraw/zinc/38/23/91/263382391.db2.gz	GNRWAZHETCQGJQ-ZVHZXABRSA-N	0	0	367.880	4.880	40	30		FJEBRN
COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(C)cc1	ZINC000020762705	263382530	/nfs/dbraw/zinc/38/25/30/263382530.db2.gz	OXQWTXXZYWSVNX-PCLIKHOPSA-N	0	0	360.457	4.706	40	30		FJEBRN
Cc1ccc(C(=O)Oc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1	ZINC000059417079	263418732	/nfs/dbraw/zinc/41/87/32/263418732.db2.gz	ZJOCFJVYVAJSHL-OEAKJJBVSA-N	0	0	370.412	4.537	40	30		FJEBRN
CCOc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408596022	263478415	/nfs/dbraw/zinc/47/84/15/263478415.db2.gz	YRVOIBLKGAAXBT-DJKKODMXSA-N	0	0	369.204	4.851	40	30		FJEBRN
C=CCc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)cc(OCC)c1O	ZINC000408811167	263497860	/nfs/dbraw/zinc/49/78/60/263497860.db2.gz	KMYRAIVIUUUSKO-MTJSOVHGSA-N	0	0	354.406	4.795	40	30		FJEBRN
Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c1	ZINC000408849960	263501006	/nfs/dbraw/zinc/50/10/06/263501006.db2.gz	BSPRBVHMAROFCB-ZHZULCJRSA-N	0	0	373.481	4.986	40	30		FJEBRN
Cc1ccc(Cl)cc1/N=C/c1ccc(O)c(I)c1	ZINC000408904538	263505797	/nfs/dbraw/zinc/50/57/97/263505797.db2.gz	LCWVWOXSUVSAMZ-CAOOACKPSA-N	0	0	371.605	4.709	40	30		FJEBRN
Cc1ccccc1NC(=O)COc1ccc(/C=N\OCc2ccccc2)cc1	ZINC000409020980	263518074	/nfs/dbraw/zinc/51/80/74/263518074.db2.gz	WMOCCLAPPCYVJB-IWIPYMOSSA-N	0	0	374.440	4.563	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Cl)cc1Cl	ZINC000409032012	263519416	/nfs/dbraw/zinc/51/94/16/263519416.db2.gz	HVNRUIZNJIPTFF-YQLNASGTSA-N	0	0	357.056	4.707	40	30		FJEBRN
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21	ZINC000409155173	263535665	/nfs/dbraw/zinc/53/56/65/263535665.db2.gz	CJTYKLYMZPGBOD-XQBPLPMBSA-N	0	0	374.440	4.511	40	30		FJEBRN
COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OC(F)F	ZINC000409162584	263536261	/nfs/dbraw/zinc/53/62/61/263536261.db2.gz	GDXJJQCEUUWLCP-LSHDLFTRSA-N	0	0	362.401	4.859	40	30		FJEBRN
N#Cc1ccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1	ZINC000409175968	263537279	/nfs/dbraw/zinc/53/72/79/263537279.db2.gz	GHLJKZTVTUZOND-UHFFFAOYSA-N	0	0	365.772	4.641	40	30		FJEBRN
C/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N1C	ZINC000223555337	518573378	/nfs/dbraw/zinc/57/33/78/518573378.db2.gz	VUIWQEWNYGYXGA-RYLJXJNCSA-N	0	0	371.550	4.719	40	30		FJEBRN
C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(F)cc1	ZINC000224911767	518805483	/nfs/dbraw/zinc/80/54/83/518805483.db2.gz	LGQYYBKZVWJQSP-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224926694	518818555	/nfs/dbraw/zinc/81/85/55/518818555.db2.gz	KBOITBHUKAEQDS-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2cccc3ccccc32)c1	ZINC000224628210	518935163	/nfs/dbraw/zinc/93/51/63/518935163.db2.gz	ZRYJMJILJINBAC-UHFFFAOYSA-N	0	0	361.441	4.733	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2ccc(C(C)(C)C)cc2)c1	ZINC000224518172	518936179	/nfs/dbraw/zinc/93/61/79/518936179.db2.gz	ISYHVCYUOMTFTR-UHFFFAOYSA-N	0	0	367.489	4.878	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1	ZINC000225287004	519041230	/nfs/dbraw/zinc/04/12/30/519041230.db2.gz	FSKHZUDCIHGGQA-UHFFFAOYSA-N	0	0	358.532	4.639	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1nnc(SCC(C)C)s1	ZINC000224497373	519077364	/nfs/dbraw/zinc/07/73/64/519077364.db2.gz	CGWMUNOTVIGLGA-UHFFFAOYSA-N	0	0	365.549	4.817	40	30		FJEBRN
CC(=O)N(C)c1cc(/N=C\c2ccccc2)ccc1OCc1ccccc1	ZINC000104093646	519450298	/nfs/dbraw/zinc/45/02/98/519450298.db2.gz	ZJSBGLSFCBTBRQ-JLPGSUDCSA-N	0	0	358.441	4.999	40	30		FJEBRN
CCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1	ZINC000104183212	519861098	/nfs/dbraw/zinc/86/10/98/519861098.db2.gz	YOYNMFXOWHXUMO-PQHZQKCXSA-N	0	0	354.366	4.784	40	30		FJEBRN
CCCCCCCCCCCCC(=N)NS(=O)(=O)c1ccc(N)cc1	ZINC000104344810	519985424	/nfs/dbraw/zinc/98/54/24/519985424.db2.gz	LNPRVMGRULVZFO-UHFFFAOYSA-N	0	0	367.559	4.835	40	30		FJEBRN
CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)cc1Cl	ZINC000001739080	521544440	/nfs/dbraw/zinc/54/44/40/521544440.db2.gz	WLSRIWIGDVCHTK-SRZZPIQSSA-N	0	0	360.244	4.538	40	30		FJEBRN
CCN1c2cc(C)c(/C=C3\S/C(=N\C)N(C)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223580760	521730229	/nfs/dbraw/zinc/73/02/29/521730229.db2.gz	PWPZPROLXSLUJB-RYLJXJNCSA-N	0	0	371.550	4.639	40	30		FJEBRN
CCN1c2ccc(CN=Nc3ncccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C	ZINC000223526994	521730377	/nfs/dbraw/zinc/73/03/77/521730377.db2.gz	LKUGWKISDBNVAE-KOUDTOEKSA-N	0	0	367.453	4.548	40	30		FJEBRN
CC[C@@H](C)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000032111809	522005187	/nfs/dbraw/zinc/00/51/87/522005187.db2.gz	KVZPEQUQDMILKM-CQSZACIVSA-N	0	0	350.414	4.583	40	30		FJEBRN
COc1cc(/C=N\N=C(\C)c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000017023453	522005823	/nfs/dbraw/zinc/00/58/23/522005823.db2.gz	FUSJKVOJYARDKE-YBOYZMIGSA-N	0	0	362.429	4.709	40	30		FJEBRN
CN(CCC#N)c1ccc(C=[NH+][N-]c2ccnc3cc(Cl)ccc23)cc1	ZINC000005611292	522674207	/nfs/dbraw/zinc/67/42/07/522674207.db2.gz	PDLOGWAMILOHIQ-ZVHZXABRSA-N	0	0	363.852	4.684	40	30		FJEBRN
CCc1ccc(NC(=O)[C@@H](C)O/N=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000005752705	523988066	/nfs/dbraw/zinc/98/80/66/523988066.db2.gz	HLKGELICHQCPIE-LGVXEURYSA-N	0	0	352.478	4.924	40	30		FJEBRN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc[nH]1)C2=O	ZINC000238950310	525348420	/nfs/dbraw/zinc/34/84/20/525348420.db2.gz	XQGICSGOYOKZIM-SFFRDBKASA-N	0	0	351.534	6.010	40	30		FJEBRN
Cl/C(C=NN1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1	ZINC000238937199	526923873	/nfs/dbraw/zinc/92/38/73/526923873.db2.gz	UCTUKMAOYUINRI-UHFFFAOYSA-N	0	0	374.315	4.723	40	30		FJEBRN
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1cccc(Cl)c1Cl	ZINC000223747356	527089663	/nfs/dbraw/zinc/08/96/63/527089663.db2.gz	CCNIVXJRHFNBPE-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
O=C(C=c1nc2c(nc1CC(=O)c1ccccc1)=CC=CN2)c1ccccc1	ZINC000005934101	527652598	/nfs/dbraw/zinc/65/25/98/527652598.db2.gz	ALXIVRQCUACAJV-HKWRFOASSA-N	0	0	367.408	4.619	40	30		FJEBRN
O=C(c1ccccc1)C(N=Nc1ccccc1)c1nc2ccccc2oc1=O	ZINC000105369805	527663509	/nfs/dbraw/zinc/66/35/09/527663509.db2.gz	JNMARGMUBVDBIE-WMBONIIHSA-N	0	0	369.380	4.896	40	30		FJEBRN
C=CCc1cc(CO)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	ZINC000034772800	570437707	/nfs/dbraw/zinc/43/77/07/570437707.db2.gz	DXVLLROMEMZTSK-UHFFFAOYSA-N	0	0	353.245	4.802	40	30		FJEBRN
N#Cc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1	ZINC000215263238	570450332	/nfs/dbraw/zinc/45/03/32/570450332.db2.gz	GYHCLYYTOMUEEF-LZYBPNLTSA-N	0	0	372.808	4.587	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O	ZINC000408530357	570511005	/nfs/dbraw/zinc/51/10/05/570511005.db2.gz	KOOAVOWJZLTWOO-CYVLTUHYSA-N	0	0	365.454	4.530	40	30		FJEBRN
CCC(CC)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2	ZINC000014162801	570517922	/nfs/dbraw/zinc/51/79/22/570517922.db2.gz	VHCRVODFHJOOTL-UHFFFAOYSA-N	0	0	367.518	4.553	40	30		FJEBRN
CCCCCCCCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1	ZINC000408540911	570528022	/nfs/dbraw/zinc/52/80/22/570528022.db2.gz	WXKYYARBXGSMJD-NBVRZTHBSA-N	0	0	374.506	4.532	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1	ZINC000004849194	570535676	/nfs/dbraw/zinc/53/56/76/570535676.db2.gz	IPMRMHBVWOBXRI-RDTXWAMCSA-N	0	0	367.518	4.510	40	30		FJEBRN
CSc1ccccc1/N=C/c1ccccc1I	ZINC000408550539	570544729	/nfs/dbraw/zinc/54/47/29/570544729.db2.gz	HSOZWYVGWCBLOR-MHWRWJLKSA-N	0	0	353.228	4.764	40	30		FJEBRN
CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OC	ZINC000006959086	570577863	/nfs/dbraw/zinc/57/78/63/570577863.db2.gz	VSELGHVKSYLZBF-YBFXNURJSA-N	0	0	364.239	4.616	40	30		FJEBRN
Fc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c(F)c1	ZINC000408600932	570579115	/nfs/dbraw/zinc/57/91/15/570579115.db2.gz	HJZGVUISIROIEB-SRZZPIQSSA-N	0	0	357.385	4.545	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1	ZINC000408621458	570586923	/nfs/dbraw/zinc/58/69/23/570586923.db2.gz	MHEDYODIRIXPBV-SDNWHVSQSA-N	0	0	359.425	4.777	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1	ZINC000225524712	570609446	/nfs/dbraw/zinc/60/94/46/570609446.db2.gz	HRZAVADELPFTPA-UHFFFAOYSA-N	0	0	356.491	4.525	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cn1	ZINC000225935234	570610413	/nfs/dbraw/zinc/61/04/13/570610413.db2.gz	HQBGTGLDSSQPQP-UHFFFAOYSA-N	0	0	372.468	4.981	40	30		FJEBRN
Cn1c2ccccc2nc1NN=Cc1cccc(OCc2ccccc2)c1	ZINC000408645678	570614024	/nfs/dbraw/zinc/61/40/24/570614024.db2.gz	AJSCFHAIQYNSPJ-HZHRSRAPSA-N	0	0	356.429	4.598	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1	ZINC000408759521	570619425	/nfs/dbraw/zinc/61/94/25/570619425.db2.gz	GMCSOZRRERFUFF-UNOMPAQXSA-N	0	0	361.470	4.930	40	30		FJEBRN
CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OC)S2)cc1	ZINC000005376395	570625515	/nfs/dbraw/zinc/62/55/15/570625515.db2.gz	XOHYTUZDHMQEAC-RGEXLXHISA-N	0	0	366.486	4.929	40	30		FJEBRN
CCn1c2ccccc2nc1/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc21	ZINC000005728172	570634393	/nfs/dbraw/zinc/63/43/93/570634393.db2.gz	GBPJRZCMHAMEOY-CIAFOILYSA-N	0	0	360.373	4.574	40	30		FJEBRN
COc1ccc(C(=O)/C=C/N2C=CC(=Cc3ccc([N+](=O)[O-])cc3)C=C2)cc1	ZINC000006381888	570646148	/nfs/dbraw/zinc/64/61/48/570646148.db2.gz	LNUPCHOQDIEMJF-NTCAYCPXSA-N	0	0	374.396	4.726	40	30		FJEBRN
C[C@@H]1CCc2c(sc3ncnc(N=NCc4ccc(Cl)cc4)c23)C1	ZINC000006437861	570647011	/nfs/dbraw/zinc/64/70/11/570647011.db2.gz	SWYIRPDKBLMFEC-LCRYFQBLSA-N	0	0	356.882	4.916	40	30		FJEBRN
O=C(Nc1ccc(F)cc1)O/N=C(/C(=O)c1ccccc1)c1ccccc1	ZINC000006927185	570657353	/nfs/dbraw/zinc/65/73/53/570657353.db2.gz	VGPFUGSZXMWZTE-LYBHJNIJSA-N	0	0	362.360	4.661	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1	ZINC000408710062	570661684	/nfs/dbraw/zinc/66/16/84/570661684.db2.gz	NLTIDJBOBYNHJX-UHFFFAOYSA-N	0	0	352.563	4.574	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1	ZINC000004849182	570670278	/nfs/dbraw/zinc/67/02/78/570670278.db2.gz	YAYKWYNWQYESKX-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
CCOc1ccc2cc(C3=CC(=NNc4cccc(C)c4)C(=O)O3)ccc2c1	ZINC000408724545	570678529	/nfs/dbraw/zinc/67/85/29/570678529.db2.gz	BHSZGXJWKAPXLB-DAFNUICNSA-N	0	0	372.424	4.913	40	30		FJEBRN
COc1ccc2cc(C3=CC(=NNc4ccc(C)cc4)C(=O)O3)ccc2c1	ZINC000408725061	570679821	/nfs/dbraw/zinc/67/98/21/570679821.db2.gz	GRRSWQJGWCJJHS-GFMRDNFCSA-N	0	0	358.397	4.523	40	30		FJEBRN
Cc1sc2ncnc(N=NCc3ccccc3C(F)(F)F)c2c1C	ZINC000006685249	570681706	/nfs/dbraw/zinc/68/17/06/570681706.db2.gz	LFOAMXGFMALAID-QPJQQBGISA-N	0	0	350.369	4.773	40	30		FJEBRN
COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)c(OC)c1	ZINC000408733568	570683945	/nfs/dbraw/zinc/68/39/45/570683945.db2.gz	KFTJNJVPFWNTLE-ZVHZXABRSA-N	0	0	358.441	4.975	40	30		FJEBRN
COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000408772869	570685654	/nfs/dbraw/zinc/68/56/54/570685654.db2.gz	SCYSDJHTPCKOSF-QRVIBDJDSA-N	0	0	350.393	4.770	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl	ZINC000408781685	570687422	/nfs/dbraw/zinc/68/74/22/570687422.db2.gz	CXKFYEQOEMBIPV-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
Cc1ccc(C)n1-c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000408741110	570687722	/nfs/dbraw/zinc/68/77/22/570687722.db2.gz	NYJHXLAVRRMBJC-VCOZGABYSA-N	0	0	370.456	4.835	40	30		FJEBRN
COc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1C#N	ZINC000408741890	570688008	/nfs/dbraw/zinc/68/80/08/570688008.db2.gz	OIEGNMIRGIKGCU-BUVRLJJBSA-N	0	0	357.413	4.592	40	30		FJEBRN
C#CCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000408811136	570688560	/nfs/dbraw/zinc/68/85/60/570688560.db2.gz	KJQGHARZFDVUBF-UYRXBGFRSA-N	0	0	358.422	4.515	40	30		FJEBRN
N#CCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1	ZINC000408751041	570688992	/nfs/dbraw/zinc/68/89/92/570688992.db2.gz	VRGNMGVRYYMSKS-UHFFFAOYSA-N	0	0	359.863	4.818	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)SC1=S	ZINC000408814264	570689428	/nfs/dbraw/zinc/68/94/28/570689428.db2.gz	SIATTWFGXSJLNH-PDGQHHTCSA-N	0	0	368.527	4.790	40	30		FJEBRN
CCN(CC)c1ccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)o1	ZINC000408818789	570689494	/nfs/dbraw/zinc/68/94/94/570689494.db2.gz	OWPCAQSJPVXZGX-ATVHPVEESA-N	0	0	369.490	4.634	40	30		FJEBRN
C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC	ZINC000408815067	570689500	/nfs/dbraw/zinc/68/95/00/570689500.db2.gz	UDKKUWUXDSCPLJ-AQTBWJFISA-N	0	0	351.427	4.665	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)SC1=S	ZINC000408813580	570689518	/nfs/dbraw/zinc/68/95/18/570689518.db2.gz	DFRTZNKYQMKUAL-YVLHZVERSA-N	0	0	372.490	4.620	40	30		FJEBRN
O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1O	ZINC000408749434	570689585	/nfs/dbraw/zinc/68/95/85/570689585.db2.gz	ONEMFPPTYPTXLO-VGOFMYFVSA-N	0	0	365.241	4.591	40	30		FJEBRN
COc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O	ZINC000408844624	570691563	/nfs/dbraw/zinc/69/15/63/570691563.db2.gz	KNXOQIUGGDRSII-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
Ic1ccccc1/N=C\c1cccn1-c1ccccc1	ZINC000408844931	570691651	/nfs/dbraw/zinc/69/16/51/570691651.db2.gz	JCVAGLSPXQJUOK-UYRXBGFRSA-N	0	0	372.209	4.833	40	30		FJEBRN
CCCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1	ZINC000408859359	570693472	/nfs/dbraw/zinc/69/34/72/570693472.db2.gz	WIRUTWUFEDUETP-ATVHPVEESA-N	0	0	356.422	4.506	40	30		FJEBRN
Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O	ZINC000408862115	570693880	/nfs/dbraw/zinc/69/38/80/570693880.db2.gz	CJTRUOMTRVKBLE-YVLHZVERSA-N	0	0	351.406	4.507	40	30		FJEBRN
COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O	ZINC000408906143	570696969	/nfs/dbraw/zinc/69/69/69/570696969.db2.gz	HSWSCGQPFFEYEK-BIXZQSIESA-N	0	0	352.459	4.708	40	30		FJEBRN
O=C1/C(=C\c2ccncc2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000408905641	570697002	/nfs/dbraw/zinc/69/70/02/570697002.db2.gz	BUZZAOOBFHSPIQ-ADGFTTEDSA-N	0	0	371.465	4.886	40	30		FJEBRN
CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O	ZINC000408908533	570698054	/nfs/dbraw/zinc/69/80/54/570698054.db2.gz	FOUDEILHLKWBMI-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408914518	570698696	/nfs/dbraw/zinc/69/86/96/570698696.db2.gz	YFKVACOTDAOZCL-YDZHTSKRSA-N	0	0	361.445	4.639	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1C	ZINC000408913329	570698714	/nfs/dbraw/zinc/69/87/14/570698714.db2.gz	SVAWVIVJAWQQHO-KDWIEBRMSA-N	0	0	352.459	4.546	40	30		FJEBRN
COC(=O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c(C)c1	ZINC000408915542	570699206	/nfs/dbraw/zinc/69/92/06/570699206.db2.gz	XLQOICZRJJECIF-UHFFFAOYSA-N	0	0	372.376	4.504	40	30		FJEBRN
CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1CC	ZINC000408929826	570700323	/nfs/dbraw/zinc/70/03/23/570700323.db2.gz	OPMARSNJWIDIKU-LMDBJESCSA-N	0	0	371.481	4.545	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21	ZINC000408938631	570701503	/nfs/dbraw/zinc/70/15/03/570701503.db2.gz	LHRRBLYWTOWNRW-XDHOZWIPSA-N	0	0	361.372	4.874	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1	ZINC000214610006	570701729	/nfs/dbraw/zinc/70/17/29/570701729.db2.gz	XYYIAHMRASWPCU-CPNJWEJPSA-N	0	0	365.454	4.796	40	30		FJEBRN
Fc1ccc(/N=C/c2cc(Br)c(Br)o2)c(F)c1	ZINC000408952834	570702514	/nfs/dbraw/zinc/70/25/14/570702514.db2.gz	NDCHGMAXPPDMRR-FZSIALSZSA-N	0	0	364.971	4.833	40	30		FJEBRN
Oc1ccc(/C=N/c2cccc3ccccc32)cc1I	ZINC000408961654	570703697	/nfs/dbraw/zinc/70/36/97/570703697.db2.gz	CYYOMFOBRRZVEE-YBFXNURJSA-N	0	0	373.193	4.901	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)S2)cc1	ZINC000408964956	570704149	/nfs/dbraw/zinc/70/41/49/570704149.db2.gz	IZVUDIRNXVCHAF-QZRSKMOPSA-N	0	0	363.486	4.509	40	30		FJEBRN
C=CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc1	ZINC000408987752	570708415	/nfs/dbraw/zinc/70/84/15/570708415.db2.gz	GMNZCTBZSMHHRH-UHFFFAOYSA-N	0	0	352.459	4.898	40	30		FJEBRN
O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2cccc(Br)c2)c1	ZINC000409018159	570713049	/nfs/dbraw/zinc/71/30/49/570713049.db2.gz	XVHIWFXJBNBIBB-UNOMPAQXSA-N	0	0	370.206	4.899	40	30		FJEBRN
CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1	ZINC000409076419	570718960	/nfs/dbraw/zinc/71/89/60/570718960.db2.gz	AGQVDEPITAPSGZ-ZROIWOOFSA-N	0	0	362.212	4.737	40	30		FJEBRN
Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1C	ZINC000409069761	570719471	/nfs/dbraw/zinc/71/94/71/570719471.db2.gz	WIIYNNNCZSJIGH-WYMPLXKRSA-N	0	0	358.367	4.954	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl	ZINC000409078847	570720620	/nfs/dbraw/zinc/72/06/20/570720620.db2.gz	IJOCYNVRHHZEHW-ZROIWOOFSA-N	0	0	374.223	4.903	40	30		FJEBRN
O=C1CCCCC1=CNc1ccc(Br)cc1Br	ZINC000409104094	570722603	/nfs/dbraw/zinc/72/26/03/570722603.db2.gz	DJXNHOYYTNNRRF-HJWRWDBZSA-N	0	0	359.061	4.651	40	30		FJEBRN
CCn1c(C)cc(/C=N\c2ccc(I)c(C)c2)c1C	ZINC000409098559	570723582	/nfs/dbraw/zinc/72/35/82/570723582.db2.gz	IUDJXXSYEVRWQZ-ZDLGFXPLSA-N	0	0	366.246	4.788	40	30		FJEBRN
Cn1cccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000409099670	570724091	/nfs/dbraw/zinc/72/40/91/570724091.db2.gz	RWNLFSQDUPJARZ-HGRLKPHYSA-N	0	0	359.454	4.834	40	30		FJEBRN
C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccccc1	ZINC000409119470	570727791	/nfs/dbraw/zinc/72/77/91/570727791.db2.gz	PTWJUEMCOJCAPU-UHFFFAOYSA-N	0	0	356.516	4.986	40	30		FJEBRN
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c(O)c3)sc2C1	ZINC000409213213	570741400	/nfs/dbraw/zinc/74/14/00/570741400.db2.gz	RNIRTKDZYWPNOU-MYSNOUKZSA-N	0	0	354.475	4.933	40	30		FJEBRN
Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1C	ZINC000409218212	570741803	/nfs/dbraw/zinc/74/18/03/570741803.db2.gz	ZHRULXKLSFXGBO-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)c(Cl)cc1Cl	ZINC000409217136	570741984	/nfs/dbraw/zinc/74/19/84/570741984.db2.gz	SGJJFFXSVACDKX-IDUWFGFVSA-N	0	0	367.217	4.957	40	30		FJEBRN
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccc(F)cc1	ZINC000409235491	570745027	/nfs/dbraw/zinc/74/50/27/570745027.db2.gz	BPQJJKGWRSLTHA-RAVUSLCOSA-N	0	0	365.433	4.931	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1	ZINC000409265344	570747039	/nfs/dbraw/zinc/74/70/39/570747039.db2.gz	HRVDDVXIFVXSBU-UHFFFAOYSA-N	0	0	362.514	4.671	40	30		FJEBRN
CCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1	ZINC000409372685	570754053	/nfs/dbraw/zinc/75/40/53/570754053.db2.gz	GLCANXJADBNNMN-VTPWGRHDSA-N	0	0	352.459	4.633	40	30		FJEBRN
O=[N+]([O-])c1ccccc1CC=CN=Nc1ccnc2cc(Cl)ccc12	ZINC000012651409	570755411	/nfs/dbraw/zinc/75/54/11/570755411.db2.gz	AMQLQUCENFLLTC-XBRNINPASA-N	0	0	352.781	4.908	40	30		FJEBRN
Cc1n[nH]c(=S)n1N=Cc1c(OCc2ccccc2)ccc2ccccc21	ZINC000005461285	570776228	/nfs/dbraw/zinc/77/62/28/570776228.db2.gz	YIHOLLXQCYOLQI-LPYMAVHISA-N	0	0	374.469	4.864	40	30		FJEBRN
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cc(Br)ccc1O	ZINC000005378158	570776514	/nfs/dbraw/zinc/77/65/14/570776514.db2.gz	OEHKZJTULBWYPL-RGVLZGJSSA-N	0	0	370.250	4.708	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(F)c1	ZINC000105651264	570777466	/nfs/dbraw/zinc/77/74/66/570777466.db2.gz	REVXXHOTPPYFHC-UHFFFAOYSA-N	0	0	350.478	4.801	40	30		FJEBRN
CCc1ccccc1/N=C(\NC(=S)N1CCCCC1)c1ccccc1	ZINC000006135432	570778640	/nfs/dbraw/zinc/77/86/40/570778640.db2.gz	WYKIQPDUAAOCIG-UHFFFAOYSA-N	0	0	351.519	4.688	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1	ZINC000006312110	570780722	/nfs/dbraw/zinc/78/07/22/570780722.db2.gz	ODSPSTHCONCHAS-HYARGMPZSA-N	0	0	357.438	4.908	40	30		FJEBRN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1	ZINC000008811436	570782064	/nfs/dbraw/zinc/78/20/64/570782064.db2.gz	ORJLICQUTMKJDD-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1[N+](=O)[O-]	ZINC000008811470	570784632	/nfs/dbraw/zinc/78/46/32/570784632.db2.gz	CIXPODWANUFCGF-WSDLNYQXSA-N	0	0	369.808	4.940	40	30		FJEBRN
ClC(/C=N\N1CCN(c2ccc(Cl)cc2)CC1)=C\c1ccccc1	ZINC000013894612	570795153	/nfs/dbraw/zinc/79/51/53/570795153.db2.gz	GKTCKRFZPZONDN-OCTRYVQESA-N	0	0	360.288	4.728	40	30		FJEBRN
COc1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1	ZINC000010118951	570814797	/nfs/dbraw/zinc/81/47/97/570814797.db2.gz	DMGXMCNBLMQVAL-ZVHZXABRSA-N	0	0	367.880	4.880	40	30		FJEBRN
CC(=CC(=O)c1cccnc1)Nc1ccc(Cl)cc1Br	ZINC000015228265	570835888	/nfs/dbraw/zinc/83/58/88/570835888.db2.gz	FVINZALXBQHSRJ-JXMROGBWSA-N	0	0	351.631	4.696	40	30		FJEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118928629	570871447	/nfs/dbraw/zinc/87/14/47/570871447.db2.gz	XIISKOBDMPFZPL-SLPWJLCXSA-N	0	0	360.538	4.878	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1	ZINC000022243298	570941882	/nfs/dbraw/zinc/94/18/82/570941882.db2.gz	ZNJUZVMMTBJQIV-XTQSDGFTSA-N	0	0	357.369	4.703	40	30		FJEBRN
COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225498470	571039914	/nfs/dbraw/zinc/03/99/14/571039914.db2.gz	LZMNIRFUCUQQOZ-HXUWFJFHSA-N	0	0	367.518	4.835	40	30		FJEBRN
CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1	ZINC000225682127	571055503	/nfs/dbraw/zinc/05/55/03/571055503.db2.gz	YGMDAHXQNGPUCZ-UHFFFAOYSA-N	0	0	366.436	4.935	40	30		FJEBRN
CC(C)c1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225806569	571068207	/nfs/dbraw/zinc/06/82/07/571068207.db2.gz	SSYRIGWUTVVYSP-UHFFFAOYSA-N	0	0	351.519	4.795	40	30		FJEBRN
C[C@@H]1C/C(=N/N=C2\SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1	ZINC000006183099	571071266	/nfs/dbraw/zinc/07/12/66/571071266.db2.gz	ILUUFJCKAFIIBX-OVZMUBQUSA-N	0	0	363.914	4.978	40	30		FJEBRN
C=CCOc1c(Cl)cc(C=NNc2ccc(C#N)cc2)cc1OCC	ZINC000006464433	571071269	/nfs/dbraw/zinc/07/12/69/571071269.db2.gz	AZWKQNUVUYSBHU-LPYMAVHISA-N	0	0	355.825	4.621	40	30		FJEBRN
CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N	ZINC000225841266	571073132	/nfs/dbraw/zinc/07/31/32/571073132.db2.gz	VYVXEBPLDOMGJO-KKSFZXQISA-N	0	0	360.498	4.905	40	30		FJEBRN
Cc1ccc(Cn2nc(OCc3cc(C(C)C)ccc3C)c(C#N)c2N)cc1	ZINC000225846310	571073751	/nfs/dbraw/zinc/07/37/51/571073751.db2.gz	ASGNTUSACFEZOC-UHFFFAOYSA-N	0	0	374.488	4.705	40	30		FJEBRN
N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccc(Cl)cc1Cl	ZINC000225856564	571074919	/nfs/dbraw/zinc/07/49/19/571074919.db2.gz	IUIIQTXCEGEUTQ-UHFFFAOYSA-N	0	0	356.256	4.888	40	30		FJEBRN
Cc1cc(CN=Nc2nc(C)cc(C)n2)c(C)n1-c1ccc(Cl)cc1	ZINC000033414899	571084674	/nfs/dbraw/zinc/08/46/74/571084674.db2.gz	DVUBZMUXGWOXEY-NHDPSOOVSA-N	0	0	353.857	4.600	40	30		FJEBRN
C=CCCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000059520287	571091824	/nfs/dbraw/zinc/09/18/24/571091824.db2.gz	HVLZMPDUTZUKKR-UHFFFAOYSA-N	0	0	352.478	4.746	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1C	ZINC000035288635	571140153	/nfs/dbraw/zinc/14/01/53/571140153.db2.gz	SABUYEIGWSNNRW-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)ccc1OC	ZINC000020484948	571141336	/nfs/dbraw/zinc/14/13/36/571141336.db2.gz	RGLOQOKGNWAVEK-UHFFFAOYSA-N	0	0	373.836	4.506	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCc1ccc(OC(C)C)c(OC)c1	ZINC000219810851	571175258	/nfs/dbraw/zinc/17/52/58/571175258.db2.gz	ISFMJCIRSFKTSR-UHFFFAOYSA-N	0	0	371.502	4.691	40	30		FJEBRN
CCC(C)N=Nc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1	ZINC000072229620	571178255	/nfs/dbraw/zinc/17/82/55/571178255.db2.gz	CDNKXJJBPVWVDW-XKZIYDEJSA-N	0	0	352.463	4.675	40	30		FJEBRN
c1ccc([C@@H]2CC(N=Nc3nncc4ccccc43)c3ccccc3O2)cc1	ZINC000033044114	571185214	/nfs/dbraw/zinc/18/52/14/571185214.db2.gz	BJYJRGGQZWMCOO-WTALZMIHSA-N	0	0	366.424	4.970	40	30		FJEBRN
C[C@H](C(=NNc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21	ZINC000073417626	571201072	/nfs/dbraw/zinc/20/10/72/571201072.db2.gz	QFIOQZMUCYTKEW-HOWONLAWSA-N	0	0	372.424	4.547	40	30		FJEBRN
Cc1ccc(N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1	ZINC000254408238	571291934	/nfs/dbraw/zinc/29/19/34/571291934.db2.gz	XBEGKMBQJCSNCI-FLGXVMQYSA-N	0	0	361.195	4.787	40	30		FJEBRN
COc1c(Br)cc(Br)cc1/C=N/c1ccccc1	ZINC000005356774	571294914	/nfs/dbraw/zinc/29/49/14/571294914.db2.gz	PAJGTBWAIPLFOY-RQZCQDPDSA-N	0	0	369.056	4.971	40	30		FJEBRN
Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1cccc(C)c1	ZINC000007343433	571298826	/nfs/dbraw/zinc/29/88/26/571298826.db2.gz	NMWZAPVQRGBEIK-OEAKJJBVSA-N	0	0	357.461	4.735	40	30		FJEBRN
Cc1ccc(C)c(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c1	ZINC000008368217	571300978	/nfs/dbraw/zinc/30/09/78/571300978.db2.gz	HLYQYFIVVQTLAG-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
Cc1ccccc1/N=C/c1ccccc1OS(=O)(=O)c1ccccc1	ZINC000008570937	571302015	/nfs/dbraw/zinc/30/20/15/571302015.db2.gz	ANGSLPUUEYXJPV-RCCKNPSSSA-N	0	0	351.427	4.513	40	30		FJEBRN
Cc1csc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)n1	ZINC000005815937	571310286	/nfs/dbraw/zinc/31/02/86/571310286.db2.gz	QJXADGRRDWLYLR-KEBDBYFISA-N	0	0	357.866	4.552	40	30		FJEBRN
O/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	ZINC000108010524	571310819	/nfs/dbraw/zinc/31/08/19/571310819.db2.gz	DTCKKWOEXISAIE-RGVLZGJSSA-N	0	0	356.219	4.989	40	30		FJEBRN
CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1	ZINC000213167321	571311337	/nfs/dbraw/zinc/31/13/37/571311337.db2.gz	NSUVJLRSLFLHCM-BIXZQSIESA-N	0	0	352.459	4.628	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1	ZINC000225682088	571337837	/nfs/dbraw/zinc/33/78/37/571337837.db2.gz	PSWFOZKKMLYOSE-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225833309	571338525	/nfs/dbraw/zinc/33/85/25/571338525.db2.gz	PHFDMQYKMAROEU-KKSFZXQISA-N	0	0	358.482	4.517	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C#N)c1	ZINC000225841245	571338624	/nfs/dbraw/zinc/33/86/24/571338624.db2.gz	KXICGWVYGPJYGZ-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1	ZINC000225844825	571338656	/nfs/dbraw/zinc/33/86/56/571338656.db2.gz	IPCPHRSITVUKPE-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225854837	571338715	/nfs/dbraw/zinc/33/87/15/571338715.db2.gz	UDOLYPKJVXFNHL-VGOFRKELSA-N	0	0	372.509	4.907	40	30		FJEBRN
C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc32)C1	ZINC000225868226	571338858	/nfs/dbraw/zinc/33/88/58/571338858.db2.gz	LWQVCJGDANXCEY-IRXDYDNUSA-N	0	0	358.489	4.626	40	30		FJEBRN
Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000101547837	210085722	/nfs/dbraw/zinc/08/57/22/210085722.db2.gz	ZLAHZUQOJROPRR-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
N#Cc1c(N)n(-c2ccccc2Cl)nc1-c1cccc(C(F)(F)F)c1	ZINC000039955199	210044666	/nfs/dbraw/zinc/04/46/66/210044666.db2.gz	OPRIOYAONLVZQQ-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
CCc1nc(SCC(=O)c2ccc(F)cc2)c(C#N)c2c1CCCC2	ZINC000000833868	219329165	/nfs/dbraw/zinc/32/91/65/219329165.db2.gz	KBHKCOBYTQJVAR-UHFFFAOYSA-N	0	0	354.450	4.509	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1	ZINC000000898901	219337461	/nfs/dbraw/zinc/33/74/61/219337461.db2.gz	DWENFSDLLUBKIJ-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1	ZINC000225685249	222860375	/nfs/dbraw/zinc/86/03/75/222860375.db2.gz	GGNTYZIYCNTKQT-UHFFFAOYSA-N	0	0	354.837	4.671	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1	ZINC000225751184	222865668	/nfs/dbraw/zinc/86/56/68/222865668.db2.gz	JAGVHESFEJSGET-UHFFFAOYSA-N	0	0	354.837	4.671	40	30		FJEBRN
Cc1cccc(Cc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)c1	ZINC000225846809	222874406	/nfs/dbraw/zinc/87/44/06/222874406.db2.gz	ORKYANXEKAXPGM-UHFFFAOYSA-N	0	0	371.271	4.591	40	30		FJEBRN
CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225841041	222874484	/nfs/dbraw/zinc/87/44/84/222874484.db2.gz	YYDWMWPYMMHJAN-NRFANRHFSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCC1	ZINC000225852008	222875354	/nfs/dbraw/zinc/87/53/54/222875354.db2.gz	FBOXDEGJISIUEC-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccc(F)cc1-n1nc(-c2ccc(Cl)cc2Cl)c(C#N)c1N	ZINC000039955358	203779741	/nfs/dbraw/zinc/77/97/41/203779741.db2.gz	FOGFQCDPIGCMOI-UHFFFAOYSA-N	0	0	361.207	4.748	40	30		FJEBRN
N#Cc1ccc(Br)cc1NCc1ccccc1Br	ZINC000039956498	203780172	/nfs/dbraw/zinc/78/01/72/203780172.db2.gz	DPHJZCBJBZJPBA-UHFFFAOYSA-N	0	0	366.056	4.695	40	30		FJEBRN
N#Cc1cccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c1	ZINC000329000728	203845659	/nfs/dbraw/zinc/84/56/59/203845659.db2.gz	KCUQQVGYIJXRIN-UHFFFAOYSA-N	0	0	374.753	4.853	40	30		FJEBRN
C=CCn1c(-c2ccccc2)csc1=Nc1ccc(NC(C)=O)cc1	ZINC000026570118	203866708	/nfs/dbraw/zinc/86/67/08/203866708.db2.gz	LSNXJTWBQSRGAO-UHFFFAOYSA-O	0	0	350.467	4.591	40	30		FJEBRN
C=CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	ZINC000216828886	203867585	/nfs/dbraw/zinc/86/75/85/203867585.db2.gz	YBIAIEQRVJLWMI-UHFFFAOYSA-N	0	0	360.837	4.969	40	30		FJEBRN
CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O	ZINC000001570325	204012411	/nfs/dbraw/zinc/01/24/11/204012411.db2.gz	FCPOGDZEICKPOF-TUACAJSNSA-N	0	0	364.485	4.600	40	30		FJEBRN
Cc1cc(/C=N/c2cc(Cl)ccc2O)c(O)c(Br)c1C	ZINC000004414249	204138313	/nfs/dbraw/zinc/13/83/13/204138313.db2.gz	ADNISEKQXMTLAN-CNHKJKLMSA-N	0	0	354.631	4.881	40	30		FJEBRN
CN(C)c1ccc(/C=N/c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1	ZINC000005334076	204203648	/nfs/dbraw/zinc/20/36/48/204203648.db2.gz	WSPRSCGQNVJIMZ-PCLIKHOPSA-N	0	0	369.424	4.594	40	30		FJEBRN
CCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1	ZINC000005501735	204212668	/nfs/dbraw/zinc/21/26/68/204212668.db2.gz	IATLQDYKMKTOJA-YBFXNURJSA-N	0	0	361.239	4.644	40	30		FJEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1	ZINC000005588532	204216794	/nfs/dbraw/zinc/21/67/94/204216794.db2.gz	KUHURTJFHCQOFN-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=N\O)C(=O)[C@]3(C)CC[C@H]21	ZINC000004974427	204181683	/nfs/dbraw/zinc/18/16/83/204181683.db2.gz	YQICTZDGXWUAOK-BMCVXAGOSA-N	0	0	353.462	4.507	40	30	in-vitro	FJEBRN
C=C(C)COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=N\O)C(=O)[C@]3(C)CC[C@H]21	ZINC000004974426	204182439	/nfs/dbraw/zinc/18/24/39/204182439.db2.gz	YQICTZDGXWUAOK-WMHLESJYSA-N	0	0	353.462	4.507	40	30	in-vitro	FJEBRN
COc1ccc(/C=C\C(C)=N\NC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000005664533	204219550	/nfs/dbraw/zinc/21/95/50/204219550.db2.gz	KQMTYAWBTIHDOH-BMKWKCGBSA-N	0	0	359.882	4.724	40	30		FJEBRN
CSc1ccc(/C=C2\CNC/C(=C/c3ccc(SC)cc3)C2=O)cc1	ZINC000008655428	204337366	/nfs/dbraw/zinc/33/73/66/204337366.db2.gz	YFMYNOUCTKNNOG-MJZABRMRSA-N	0	0	367.539	4.770	40	30		FJEBRN
Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br	ZINC000009195064	204357774	/nfs/dbraw/zinc/35/77/74/204357774.db2.gz	DTNURQCEGBNRCH-CNHKJKLMSA-N	0	0	374.065	4.585	40	30		FJEBRN
CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(OCC)c1	ZINC000009195900	204358728	/nfs/dbraw/zinc/35/87/28/204358728.db2.gz	BZTJUVZTVUZVIN-SRZZPIQSSA-N	0	0	367.276	4.915	40	30		FJEBRN
C=CCOC(=O)c1ccc2oc(-c3ccc(Br)cc3)nc2c1	ZINC000073634083	205031755	/nfs/dbraw/zinc/03/17/55/205031755.db2.gz	QGIARNNANMVQLB-UHFFFAOYSA-N	0	0	358.191	4.600	40	30		FJEBRN
CCCCCCCCOc1ccc(C(=O)O[C@H]2C(=O)OCC2(C)C)cc1	ZINC000059608651	205282208	/nfs/dbraw/zinc/28/22/08/205282208.db2.gz	BGLWOTFHYXURLQ-SFHVURJKSA-N	0	0	362.466	4.534	40	30		FJEBRN
CCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1	ZINC000015228816	220150355	/nfs/dbraw/zinc/15/03/55/220150355.db2.gz	KLSDDOHWDSETKI-AQTBWJFISA-N	0	0	352.459	4.675	40	30		FJEBRN
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Br)cc1)C2	ZINC000100006230	205936613	/nfs/dbraw/zinc/93/66/13/205936613.db2.gz	VXYHEEIGJJGNHL-UJINQUNPSA-N	0	0	350.256	4.808	40	30		FJEBRN
CC(C)OC(=O)OCSc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1	ZINC000104306625	206000079	/nfs/dbraw/zinc/00/00/79/206000079.db2.gz	DDFTYKYCPZDQDP-ODLFYWEKSA-N	0	0	374.418	4.957	40	30		FJEBRN
CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2	ZINC000000799904	206134093	/nfs/dbraw/zinc/13/40/93/206134093.db2.gz	YZQAGQSBRXWVTD-ZICWZVMQSA-N	0	0	372.446	4.708	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc12	ZINC000001354273	206148249	/nfs/dbraw/zinc/14/82/49/206148249.db2.gz	DBHIHVMFZHDTKO-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
Cc1ccc(N2C(=O)CS/C2=N\C(=O)Nc2ccc(Cl)cc2)c(C)c1	ZINC000004472479	206176171	/nfs/dbraw/zinc/17/61/71/206176171.db2.gz	JREHIGYSEHUPNA-UZYVYHOESA-N	0	0	373.865	4.625	40	30		FJEBRN
CC(N=Nc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1	ZINC000004713099	206182800	/nfs/dbraw/zinc/18/28/00/206182800.db2.gz	XRRQHJZUICADKS-LPYMAVHISA-N	0	0	367.250	4.742	40	30		FJEBRN
Cc1ccc2nc(N=NCc3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1	ZINC000005007028	206186398	/nfs/dbraw/zinc/18/63/98/206186398.db2.gz	HMJTZZLVDMCYCC-CIAFOILYSA-N	0	0	373.372	4.552	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1	ZINC000017075138	206321425	/nfs/dbraw/zinc/32/14/25/206321425.db2.gz	JBDGJSKLYGSPKG-VYADPRQXSA-N	0	0	365.502	4.767	40	30		FJEBRN
CC(C)Cc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N	ZINC000225893398	206504912	/nfs/dbraw/zinc/50/49/12/206504912.db2.gz	WQUPPRMPBRAFLA-UHFFFAOYSA-N	0	0	367.305	4.728	40	30		FJEBRN
CCOC(=O)Nc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000016889904	211170383	/nfs/dbraw/zinc/17/03/83/211170383.db2.gz	SLWXJMICFIAYMH-CXUHLZMHSA-N	0	0	366.461	4.997	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@@H]3C=CC[C@H]23)c1	ZINC000008936520	210810065	/nfs/dbraw/zinc/81/00/65/210810065.db2.gz	OOLPSPFENZMUGE-UJPOCBBSSA-N	0	0	359.804	4.597	40	30		FJEBRN
CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1	ZINC000006869758	210711497	/nfs/dbraw/zinc/71/14/97/210711497.db2.gz	QIBUVXXCDBQEHX-RGEXLXHISA-N	0	0	365.502	4.733	40	30		FJEBRN
O=C1c2ccccc2C2=C1C(c1ccccc1)C1=C(N2)c2ccccc2C1=O	ZINC000003106543	210450784	/nfs/dbraw/zinc/45/07/84/210450784.db2.gz	BRRLYPCKLSSKES-UHFFFAOYSA-N	0	0	361.400	4.589	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	ZINC000219787480	533517497	/nfs/dbraw/zinc/51/74/97/533517497.db2.gz	JTQZOTHMYVMADP-UHFFFAOYSA-N	0	0	364.489	4.562	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000219812708	132374579	/nfs/dbraw/zinc/37/45/79/132374579.db2.gz	BDXXDMHFFLQUQO-UHFFFAOYSA-N	0	0	366.530	4.885	40	30		FJEBRN
C[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1	ZINC000005766565	132830086	/nfs/dbraw/zinc/83/00/86/132830086.db2.gz	PSFHMFHSQQOEFX-QHCPKHFHSA-N	0	0	367.408	4.783	40	30		FJEBRN
COc1cc(/C=C\C(=O)c2oc3ccc(F)cc3c2C)cc(OC)c1OC	ZINC000094992863	221843206	/nfs/dbraw/zinc/84/32/06/221843206.db2.gz	DPUDXXPQZZGQAQ-ALCCZGGFSA-N	0	0	370.376	4.802	40	30		FJEBRN
C/C(=N\CCCC/N=C(\C)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000104234052	222352758	/nfs/dbraw/zinc/35/27/58/222352758.db2.gz	JKCRBGNKFQPQJE-GJHDBBOXSA-N	0	0	352.478	4.813	40	30		FJEBRN
N#CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1	ZINC000116390021	222508961	/nfs/dbraw/zinc/50/89/61/222508961.db2.gz	YUOCBRQUFZQSSL-UHFFFAOYSA-N	0	0	367.452	4.568	40	30		FJEBRN
O=C(/C(=N\N=C\c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1	ZINC000004582372	263334309	/nfs/dbraw/zinc/33/43/09/263334309.db2.gz	KBNYSQWJFBNBIO-SHDDXADGSA-N	0	0	352.437	4.881	40	30		FJEBRN
CCOC(=O)/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(C)=O	ZINC000005005432	263337802	/nfs/dbraw/zinc/33/78/02/263337802.db2.gz	VIOZQCFEGKCILB-LCYFTJDESA-N	0	0	353.201	4.789	40	30		FJEBRN
COc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000005019444	263338284	/nfs/dbraw/zinc/33/82/84/263338284.db2.gz	FEFABOXXLNGAOD-OEAKJJBVSA-N	0	0	350.393	4.859	40	30		FJEBRN
Cc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1	ZINC000005612295	263342536	/nfs/dbraw/zinc/34/25/36/263342536.db2.gz	MBLRPODTELEVPQ-OEAKJJBVSA-N	0	0	356.429	4.896	40	30		FJEBRN
COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC(C)C	ZINC000009197050	263360083	/nfs/dbraw/zinc/36/00/83/263360083.db2.gz	JBPPAMFEAUKSFR-UFFVCSGVSA-N	0	0	367.276	4.913	40	30		FJEBRN
COc1c(Cl)cc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Cl	ZINC000009142095	263360378	/nfs/dbraw/zinc/36/03/78/263360378.db2.gz	QJCLCMOBNSYLET-UHFFFAOYSA-N	0	0	355.246	4.804	40	30		FJEBRN
C=CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1	ZINC000010414459	263365340	/nfs/dbraw/zinc/36/53/40/263365340.db2.gz	YAVOPCXMKIHWPJ-VIFPVBQESA-N	0	0	371.940	4.589	40	30		FJEBRN
C[C@@H](C[C@H](C#N)NCCN[C@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000019368162	263374484	/nfs/dbraw/zinc/37/44/84/263374484.db2.gz	FHEQJCCBJZWVQZ-JVSBHGNQSA-N	0	0	362.606	4.875	40	30		FJEBRN
CCOc1cccc(/C=N/c2ccccc2OCC(F)(F)C(F)F)c1O	ZINC000100222757	263434004	/nfs/dbraw/zinc/43/40/04/263434004.db2.gz	QIPGTUUEWNFZDE-AUEPDCJTSA-N	0	0	371.330	4.821	40	30		FJEBRN
COc1ccccc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O	ZINC000408739214	263493961	/nfs/dbraw/zinc/49/39/61/263493961.db2.gz	UEYQOOSFUXSTOG-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408742141	263494939	/nfs/dbraw/zinc/49/49/39/263494939.db2.gz	VALSFRXCMZWONH-HYARGMPZSA-N	0	0	362.433	4.819	40	30		FJEBRN
COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	ZINC000408814190	263497641	/nfs/dbraw/zinc/49/76/41/263497641.db2.gz	OFJMIDFTEGVUAW-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
Ic1cccc(/N=C\c2cccn2-c2ccccc2)c1	ZINC000408852107	263502052	/nfs/dbraw/zinc/50/20/52/263502052.db2.gz	CEONFEOKPJPRIV-UYRXBGFRSA-N	0	0	372.209	4.833	40	30		FJEBRN
O=C1NC(=Nc2ccccc2F)S/C1=C\c1c(F)cccc1Cl	ZINC000408867885	263502911	/nfs/dbraw/zinc/50/29/11/263502911.db2.gz	OHFXCBFXYMDIJM-ZSOIEALJSA-N	0	0	350.777	4.510	40	30		FJEBRN
CC/N=C1/S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C(=O)N1CC	ZINC000408931725	263508156	/nfs/dbraw/zinc/50/81/56/263508156.db2.gz	PKDDCEYHSBEGAU-GBYISLIISA-N	0	0	355.507	4.924	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Cl)c1	ZINC000408937724	263508720	/nfs/dbraw/zinc/50/87/20/263508720.db2.gz	JQKIVGSAHSUUDT-RQZCQDPDSA-N	0	0	355.821	4.852	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000408937298	263508795	/nfs/dbraw/zinc/50/87/95/263508795.db2.gz	IRVAYACGPIQSON-CXUHLZMHSA-N	0	0	362.212	4.889	40	30		FJEBRN
C=CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1Cl	ZINC000409062704	263521334	/nfs/dbraw/zinc/52/13/34/263521334.db2.gz	ZHZVKOFNINFMBP-PTNGSMBKSA-N	0	0	351.855	4.741	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(F)c2)cc1	ZINC000409080757	263522563	/nfs/dbraw/zinc/52/25/63/263522563.db2.gz	MOTKLFJWEVKAJK-STZFKDTASA-N	0	0	373.383	4.749	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC	ZINC000409208326	263541561	/nfs/dbraw/zinc/54/15/61/263541561.db2.gz	FCSPCQMJSIFNIT-CIAFOILYSA-N	0	0	372.262	4.837	40	30		FJEBRN
COc1cc(N2CCOCC2)ccc1/C=N\c1cccc(Cl)c1Cl	ZINC000409234360	263544716	/nfs/dbraw/zinc/54/47/16/263544716.db2.gz	VWIWYEVQCCEAGR-MTJSOVHGSA-N	0	0	365.260	4.589	40	30		FJEBRN
N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1	ZINC000409380061	263553781	/nfs/dbraw/zinc/55/37/81/263553781.db2.gz	GOVWYSSWLBSJJA-KEBDBYFISA-N	0	0	363.285	4.923	40	30		FJEBRN
C/C(CC(=O)c1ccccc1)=N\CCC/N=C(/C)CC(=O)c1ccccc1	ZINC000103061335	518473489	/nfs/dbraw/zinc/47/34/89/518473489.db2.gz	FQQYERHFBVGNBV-ZFQRDYFNSA-N	0	0	362.473	4.844	40	30		FJEBRN
C=CCN(c1c(C)cccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224927632	518803058	/nfs/dbraw/zinc/80/30/58/518803058.db2.gz	IUQUPUMYPJLQHA-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224927021	518808919	/nfs/dbraw/zinc/80/89/19/518808919.db2.gz	WNCJNYHWJKZACT-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225064866	518816865	/nfs/dbraw/zinc/81/68/65/518816865.db2.gz	MSKLNNSFAUIPLH-UHFFFAOYSA-N	0	0	367.470	4.620	40	30		FJEBRN
C=CCN(c1ccccc1CC)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224928374	518820366	/nfs/dbraw/zinc/82/03/66/518820366.db2.gz	SQFIVLNXXGYNBV-UHFFFAOYSA-N	0	0	370.301	4.937	40	30		FJEBRN
C=CCOc1ccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)cc1	ZINC000005797756	519014680	/nfs/dbraw/zinc/01/46/80/519014680.db2.gz	NANRCBCLQBONCO-CPNJWEJPSA-N	0	0	364.470	4.951	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCc2ccccc2OCC)cc1	ZINC000225397811	519040530	/nfs/dbraw/zinc/04/05/30/519040530.db2.gz	ZCUNYWCAYLKPBT-UHFFFAOYSA-N	0	0	370.518	4.569	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1	ZINC000225447626	519042262	/nfs/dbraw/zinc/04/22/62/519042262.db2.gz	VREYILREOJUQBU-UHFFFAOYSA-N	0	0	356.491	4.525	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCSCc2ccccc2C)c1	ZINC000225362506	519057600	/nfs/dbraw/zinc/05/76/00/519057600.db2.gz	CDKKVSLNRTWLDG-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCc2ccc(OCC)cc2)c1	ZINC000225623116	519058260	/nfs/dbraw/zinc/05/82/60/519058260.db2.gz	VGYBNSFJNHLJBQ-UHFFFAOYSA-N	0	0	370.518	4.569	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1	ZINC000225633175	519058884	/nfs/dbraw/zinc/05/88/84/519058884.db2.gz	MQRRRIRNXVAFJM-KRWDZBQOSA-N	0	0	354.519	4.807	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)s1	ZINC000225365299	519085180	/nfs/dbraw/zinc/08/51/80/519085180.db2.gz	SRYLYIGNAFISAV-UHFFFAOYSA-N	0	0	374.318	4.694	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OC	ZINC000224873667	519128158	/nfs/dbraw/zinc/12/81/58/519128158.db2.gz	MRHHMQHMYHSBBN-UHFFFAOYSA-N	0	0	351.324	4.575	40	30		FJEBRN
CC(C)c1ccc(/C=N\NC(=S)N/N=C\c2ccc(C(C)C)cc2)cc1	ZINC000033364718	519834261	/nfs/dbraw/zinc/83/42/61/519834261.db2.gz	XAUYIGRFODJXMP-SJZPPUTKSA-N	0	0	366.534	4.766	40	30		FJEBRN
CCCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OCC	ZINC000002088226	520874048	/nfs/dbraw/zinc/87/40/48/520874048.db2.gz	LEYADMSDVYXTFR-UHFFFAOYSA-N	0	0	350.414	4.727	40	30		FJEBRN
CCOC(=O)c1c(/N=C\c2ccc(N(C)C)cc2)sc2c1CCCC2	ZINC000018066390	521375139	/nfs/dbraw/zinc/37/51/39/521375139.db2.gz	GMSRWYFEHJIXRD-BKUYFWCQSA-N	0	0	356.491	4.620	40	30		FJEBRN
COc1ccc(C(=O)/C=C/S/C(=N/C#N)SCc2ccccc2)cc1	ZINC000002380087	523538688	/nfs/dbraw/zinc/53/86/88/523538688.db2.gz	KXNAAUVAEPAIAK-BPYFUBPNSA-N	0	0	368.483	4.895	40	30		FJEBRN
CCc1ccc(-c2csc(N=NCc3ccc(N(C)C)cc3)n2)cc1	ZINC000004957143	523857054	/nfs/dbraw/zinc/85/70/54/523857054.db2.gz	JHPPOVDPSCJRRS-FYJGNVAPSA-N	0	0	350.491	4.885	40	30		FJEBRN
CC[C@H](C)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000032111811	523889261	/nfs/dbraw/zinc/88/92/61/523889261.db2.gz	KVZPEQUQDMILKM-AWEZNQCLSA-N	0	0	350.414	4.583	40	30		FJEBRN
CN(C)/C=C(/C=C/C(=O)/C=C/C(=C/N(C)C)c1ccccc1)c1ccccc1	ZINC000055146209	523967643	/nfs/dbraw/zinc/96/76/43/523967643.db2.gz	RHIYEEQNVNGLLD-CGJMZHHMSA-N	0	0	372.512	4.873	40	30		FJEBRN
COc1cccc2cc(-c3csc(N/N=C(\C)CC(C)C)n3)c(=O)oc21	ZINC000005632767	524255614	/nfs/dbraw/zinc/25/56/14/524255614.db2.gz	LDCXOMPFJZMNCH-CIAFOILYSA-N	0	0	371.462	4.759	40	30		FJEBRN
Cc1ccccc1CSCCCNC(=S)Nc1ccc(CC#N)cc1	ZINC000225600573	525183850	/nfs/dbraw/zinc/18/38/50/525183850.db2.gz	OCLVEZMKYLMWLN-UHFFFAOYSA-N	0	0	369.559	4.671	40	30		FJEBRN
Cc1ccc(-c2csc(N=NCc3cccc([N+](=O)[O-])c3)n2)c(C)c1	ZINC000004957174	525781970	/nfs/dbraw/zinc/78/19/70/525781970.db2.gz	VEVDCZDZKVEOGY-VXLYETTFSA-N	0	0	352.419	4.781	40	30		FJEBRN
Cc1nn(Cc2ccccc2)c(C)c1/C=N/CCc1ccc(Cl)cc1	ZINC000035325783	526293604	/nfs/dbraw/zinc/29/36/04/526293604.db2.gz	MJNOYHWADUSBFE-OEAKJJBVSA-N	0	0	351.881	4.863	40	30		FJEBRN
S=C1N=NC(c2ccccc2)N1N=Cc1cccc(Oc2ccccc2)c1	ZINC000004679764	526389599	/nfs/dbraw/zinc/38/95/99/526389599.db2.gz	CHNDRCISMBGTPO-JCMHNJIXSA-N	0	0	372.453	4.908	40	30		FJEBRN
O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1	ZINC000005772312	526412614	/nfs/dbraw/zinc/41/26/14/526412614.db2.gz	LISLUXDUELBCQI-PTGBLXJZSA-N	0	0	371.223	4.998	40	30		FJEBRN
CCOc1ccc(/N=C2\S[C@H](C)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000006606403	567930702	/nfs/dbraw/zinc/93/07/02/567930702.db2.gz	WKVYFOQOQCEYOQ-JTKIUVGSSA-N	0	0	370.474	4.640	40	30		FJEBRN
O=[N+]([O-])c1ccc(/N=C(/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	ZINC000016998659	570470456	/nfs/dbraw/zinc/47/04/56/570470456.db2.gz	YJONYNIWMKINQX-UHFFFAOYSA-N	0	0	362.345	4.693	40	30		FJEBRN
CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1	ZINC000096544461	570481442	/nfs/dbraw/zinc/48/14/42/570481442.db2.gz	OIFGYNHOUUTVQJ-KIOXBDSISA-N	0	0	365.502	4.765	40	30		FJEBRN
Oc1c(/C=N\c2ccc(I)cc2)ccc2ccccc12	ZINC000100248428	570501969	/nfs/dbraw/zinc/50/19/69/570501969.db2.gz	ADXBIGOSCFZVRF-ODLFYWEKSA-N	0	0	373.193	4.901	40	30		FJEBRN
Cn1cc(C2(c3cn(C)c4ccccc34)CC(=O)C=CC2=O)c2ccccc21	ZINC000001709413	570505246	/nfs/dbraw/zinc/50/52/46/570505246.db2.gz	FXSLUPKVDWFALI-UHFFFAOYSA-N	0	0	368.436	4.537	40	30		FJEBRN
C(=NN1CCN(c2ccccn2)CC1)c1c2ccccc2cc2ccccc21	ZINC000254817070	570524947	/nfs/dbraw/zinc/52/49/47/570524947.db2.gz	PUAUSEBFNSFDCJ-UHFFFAOYSA-N	0	0	366.468	4.544	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1	ZINC000004849076	570535217	/nfs/dbraw/zinc/53/52/17/570535217.db2.gz	YPIOWUQRNNRWID-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CCOc1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000408589166	570566962	/nfs/dbraw/zinc/56/69/62/570566962.db2.gz	DDUKVIJUIOVCGV-FYJGNVAPSA-N	0	0	366.373	4.804	40	30		FJEBRN
CC(=O)c1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000408589689	570567483	/nfs/dbraw/zinc/56/74/83/570567483.db2.gz	FMYVGMSJPPCIIF-CIAFOILYSA-N	0	0	364.357	4.608	40	30		FJEBRN
Cc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408593376	570575100	/nfs/dbraw/zinc/57/51/00/570575100.db2.gz	PLEBYJVVJDFDGI-CIAFOILYSA-N	0	0	369.808	4.898	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1cccc(OCc2ccc(F)cc2)c1	ZINC000408597178	570577264	/nfs/dbraw/zinc/57/72/64/570577264.db2.gz	YCCJUTYMJGMXFF-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
C#CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OCC	ZINC000006962195	570580159	/nfs/dbraw/zinc/58/01/59/570580159.db2.gz	XAHRWGGHFLJLQH-HYARGMPZSA-N	0	0	357.837	4.900	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1	ZINC000225932188	570610314	/nfs/dbraw/zinc/61/03/14/570610314.db2.gz	UQBLTZNOIPFRRR-UHFFFAOYSA-N	0	0	356.853	4.750	40	30		FJEBRN
CN(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000005319334	570623534	/nfs/dbraw/zinc/62/35/34/570623534.db2.gz	BQNMEUQHRAAWDF-RGVLZGJSSA-N	0	0	356.882	4.976	40	30		FJEBRN
C=CCO/N=C(\CCC)C1=C(OC)C[C@H](C[C@H](C)SCC)CC1=O	ZINC000005417231	570626755	/nfs/dbraw/zinc/62/67/55/570626755.db2.gz	UQZVHDPICKDZDC-CGJDATGVSA-N	0	0	353.528	4.756	40	30		FJEBRN
COc1ccc(C)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl	ZINC000005553093	570630309	/nfs/dbraw/zinc/63/03/09/570630309.db2.gz	ULEWYYBTJXHJQT-UHFFFAOYSA-N	0	0	369.273	4.849	40	30		FJEBRN
C=CCn1c(C)c(C=NNc2nc3ccccc3n2CC)c2ccccc21	ZINC000408692898	570648921	/nfs/dbraw/zinc/64/89/21/570648921.db2.gz	XYTWPJGJSODDDS-HZHRSRAPSA-N	0	0	357.461	4.951	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000408708254	570659220	/nfs/dbraw/zinc/65/92/20/570659220.db2.gz	WNHHSRUVZIGJTP-UHFFFAOYSA-N	0	0	359.297	4.799	40	30		FJEBRN
CCc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N	ZINC000004849024	570670184	/nfs/dbraw/zinc/67/01/84/570670184.db2.gz	DCOSLLCJWSNUJT-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
COc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)c(C)cc2C)S1	ZINC000408720836	570675561	/nfs/dbraw/zinc/67/55/61/570675561.db2.gz	FGVXAFNJQBYTMV-WQRHYEAKSA-N	0	0	352.459	4.512	40	30		FJEBRN
O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cc(Cl)ccc1O	ZINC000408722188	570676039	/nfs/dbraw/zinc/67/60/39/570676039.db2.gz	QZZQIKSTIRWFLP-RIYZIHGNSA-N	0	0	365.241	4.591	40	30		FJEBRN
COc1ccc(/C=C2/SC(=Nc3cccc(C)c3C)NC2=O)cc1Cl	ZINC000408767778	570680992	/nfs/dbraw/zinc/68/09/92/570680992.db2.gz	OAOYLTXZPYFRLK-LICLKQGHSA-N	0	0	372.877	4.857	40	30		FJEBRN
COc1ccc([C@@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)cc1	ZINC000408731668	570683268	/nfs/dbraw/zinc/68/32/68/570683268.db2.gz	OREGCAQTEVYWQN-FQEVSTJZSA-N	0	0	366.486	4.839	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1	ZINC000408737994	570684729	/nfs/dbraw/zinc/68/47/29/570684729.db2.gz	HMFBWVWWLMFOHC-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)cc1C	ZINC000408783369	570686902	/nfs/dbraw/zinc/68/69/02/570686902.db2.gz	KRXXGUMHCAXCNA-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1	ZINC000408740976	570687691	/nfs/dbraw/zinc/68/76/91/570687691.db2.gz	FZORJSMWAFYINB-YDZHTSKRSA-N	0	0	350.393	4.770	40	30		FJEBRN
O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NC1CCCCC1	ZINC000408805937	570688355	/nfs/dbraw/zinc/68/83/55/570688355.db2.gz	CSVMWHOWVWLSPO-UCQKPKSFSA-N	0	0	370.880	4.918	40	30		FJEBRN
C=CCc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)=O	ZINC000408744099	570688783	/nfs/dbraw/zinc/68/87/83/570688783.db2.gz	WQWMQCCCLVHWAE-DEDYPNTBSA-N	0	0	360.409	4.630	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)SC1=S	ZINC000408816915	570689195	/nfs/dbraw/zinc/68/91/95/570689195.db2.gz	UYOGEQRDMHJSOJ-PDGQHHTCSA-N	0	0	368.527	4.790	40	30		FJEBRN
N#CCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1	ZINC000408748863	570689541	/nfs/dbraw/zinc/68/95/41/570689541.db2.gz	CJCQIKBELARIKE-UHFFFAOYSA-N	0	0	359.863	4.818	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(CC)CC)o3)S2)cc1	ZINC000408753950	570690441	/nfs/dbraw/zinc/69/04/41/570690441.db2.gz	LHOVNAMCQWRHNP-LGMDPLHJSA-N	0	0	369.490	4.580	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)N1CC	ZINC000408756264	570690976	/nfs/dbraw/zinc/69/09/76/570690976.db2.gz	PPAVWUNFRJCWHF-DPBNUBQISA-N	0	0	367.518	4.715	40	30		FJEBRN
Brc1ccc(-n2cccc2/C=N\OCc2ccccc2)cc1	ZINC000408844012	570691292	/nfs/dbraw/zinc/69/12/92/570691292.db2.gz	HXCCGFDALMCXMB-MOSHPQCFSA-N	0	0	355.235	4.791	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1	ZINC000408851849	570692097	/nfs/dbraw/zinc/69/20/97/570692097.db2.gz	ARRDKWZPBYVMDP-HKWRFOASSA-N	0	0	373.481	4.931	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(C(C)C)c(O)c(C(C)C)c2)C(=O)N1CC	ZINC000408857028	570693037	/nfs/dbraw/zinc/69/30/37/570693037.db2.gz	MSYGPZDOOMGPGB-ICSPAVNMSA-N	0	0	360.523	4.951	40	30		FJEBRN
CC(C)N(/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408891889	570695617	/nfs/dbraw/zinc/69/56/17/570695617.db2.gz	DUSVVIZCIBRRNV-WOJGMQOQSA-N	0	0	362.227	4.606	40	30		FJEBRN
CCOc1ccc(/C=N/c2ccc(C)cc2)cc1I	ZINC000408905248	570696467	/nfs/dbraw/zinc/69/64/67/570696467.db2.gz	VXCGDUTUVPKPKX-WOJGMQOQSA-N	0	0	365.214	4.749	40	30		FJEBRN
O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1ccccc1F	ZINC000408908405	570698069	/nfs/dbraw/zinc/69/80/69/570698069.db2.gz	CGGPKXMNNMQFRV-UHFFFAOYSA-N	0	0	358.368	4.867	40	30		FJEBRN
CCOc1ccc(N=C2NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1	ZINC000408955747	570702445	/nfs/dbraw/zinc/70/24/45/570702445.db2.gz	YXULDIIUZPUHRU-XDHOZWIPSA-N	0	0	366.486	4.902	40	30		FJEBRN
Cc1cccc(Cn2cc(CN=Nc3nc(C)cc(C)n3)c3ccccc32)c1	ZINC000408995488	570709031	/nfs/dbraw/zinc/70/90/31/570709031.db2.gz	JQWXSEKLIWXPPQ-CFRMEGHHSA-N	0	0	369.472	4.851	40	30		FJEBRN
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2C)C1=O	ZINC000408996619	570709131	/nfs/dbraw/zinc/70/91/31/570709131.db2.gz	JISGYAXJJGBKGX-LGMDPLHJSA-N	0	0	365.454	4.539	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)SC1=S	ZINC000409020352	570714239	/nfs/dbraw/zinc/71/42/39/570714239.db2.gz	OJRXCQSOHYHBIA-SAIXKJTDSA-N	0	0	367.923	4.905	40	30		FJEBRN
Fc1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1	ZINC000409029391	570714320	/nfs/dbraw/zinc/71/43/20/570714320.db2.gz	AISSXRJPZAGKTJ-FINSYCMTSA-N	0	0	372.215	4.800	40	30		FJEBRN
N#Cc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1	ZINC000409024858	570714342	/nfs/dbraw/zinc/71/43/42/570714342.db2.gz	YGKGSRKBQYGVEF-MYKKPKGFSA-N	0	0	356.307	4.678	40	30		FJEBRN
CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409083509	570720086	/nfs/dbraw/zinc/72/00/86/570720086.db2.gz	BEVHLLZPQNMJTF-UFFVCSGVSA-N	0	0	367.327	4.847	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=C2/c3ccccc3NC2=O)cc1OCC	ZINC000409121667	570728560	/nfs/dbraw/zinc/72/85/60/570728560.db2.gz	VMIBWYBQNXQDPN-GDNBJRDFSA-N	0	0	355.821	4.796	40	30		FJEBRN
C#CCOc1ccc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1Cl	ZINC000409122117	570728571	/nfs/dbraw/zinc/72/85/71/570728571.db2.gz	ZHTNRCHCAIVUNT-PDGQHHTCSA-N	0	0	365.860	4.895	40	30		FJEBRN
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	ZINC000409133392	570729468	/nfs/dbraw/zinc/72/94/68/570729468.db2.gz	LHSALRVQYJHXGY-NTCAYCPXSA-N	0	0	362.473	4.552	40	30		FJEBRN
Fc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1N1CCOCC1	ZINC000409130176	570730126	/nfs/dbraw/zinc/73/01/26/570730126.db2.gz	INCVUZBBRIVTFT-NHDPSOOVSA-N	0	0	353.224	4.720	40	30		FJEBRN
C=CCN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O	ZINC000409128315	570730222	/nfs/dbraw/zinc/73/02/22/570730222.db2.gz	DMRWAWTWGRPFRA-VBKFSLOCSA-N	0	0	370.861	4.570	40	30		FJEBRN
Cc1cc(/C=N\c2ccccc2Cl)c(C)n1NC(=O)c1ccccc1	ZINC000409201260	570739865	/nfs/dbraw/zinc/73/98/65/570739865.db2.gz	KXGTUAHXQLIMDB-XKZIYDEJSA-N	0	0	351.837	4.893	40	30		FJEBRN
CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	ZINC000409217120	570741761	/nfs/dbraw/zinc/74/17/61/570741761.db2.gz	RYXMJNXJFORIBB-JLPGSUDCSA-N	0	0	374.440	4.853	40	30		FJEBRN
CCn1c(C)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c1C	ZINC000409237455	570743155	/nfs/dbraw/zinc/74/31/55/570743155.db2.gz	IUIQYBDUBXRKRZ-LMDBJESCSA-N	0	0	371.481	4.888	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N/c1ccc(F)cc1	ZINC000409231757	570743973	/nfs/dbraw/zinc/74/39/73/570743973.db2.gz	KJRHBVNORKMLHV-LMDBJESCSA-N	0	0	370.449	4.767	40	30		FJEBRN
CCc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1	ZINC000409247735	570745475	/nfs/dbraw/zinc/74/54/75/570745475.db2.gz	NJVXWZMTJAGFKG-KIOXBDSISA-N	0	0	366.486	4.882	40	30		FJEBRN
COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCCCC3)cc2OC)c1	ZINC000409251340	570746724	/nfs/dbraw/zinc/74/67/24/570746724.db2.gz	PGOAUYMRTLKUFS-HZHRSRAPSA-N	0	0	366.461	4.531	40	30		FJEBRN
O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c[nH]c2ccccc12	ZINC000409292004	570748417	/nfs/dbraw/zinc/74/84/17/570748417.db2.gz	ZDQPPLRYIPKABZ-UHFFFAOYSA-N	0	0	370.456	4.808	40	30		FJEBRN
COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3O)c3ccccc32)o1	ZINC000409393636	570756327	/nfs/dbraw/zinc/75/63/27/570756327.db2.gz	RQLFEYAKPBMDAH-FMCGGJTJSA-N	0	0	374.396	4.525	40	30		FJEBRN
COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(O)cc3)c3ccccc32)o1	ZINC000409393114	570756544	/nfs/dbraw/zinc/75/65/44/570756544.db2.gz	PAOKVIVBXJXYNW-FSJBWODESA-N	0	0	374.396	4.525	40	30		FJEBRN
CC(=CC(C)c1ccc(C)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013407704	570777654	/nfs/dbraw/zinc/77/76/54/570777654.db2.gz	UQJVWPLGIHPMOU-ANMLQGLPSA-N	0	0	354.366	4.703	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(C)s2)S/C1=N/c1ccc(OC)cc1	ZINC000005897152	570778132	/nfs/dbraw/zinc/77/81/32/570778132.db2.gz	XABLNBGXFALPPC-FLXQFUDPSA-N	0	0	358.488	4.689	40	30		FJEBRN
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1	ZINC000008811434	570779581	/nfs/dbraw/zinc/77/95/81/570779581.db2.gz	CRVMHSRFZLSFJE-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
C(=N/c1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000017326633	570872409	/nfs/dbraw/zinc/87/24/09/570872409.db2.gz	AIYDZRXBGAPSRJ-IOCYEQIYSA-N	0	0	354.453	4.839	40	30		FJEBRN
Oc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1	ZINC000002677225	570883312	/nfs/dbraw/zinc/88/33/12/570883312.db2.gz	OGRUWCIOSIZQSV-COWAANAZSA-N	0	0	371.465	4.846	40	30		FJEBRN
Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1F	ZINC000028217541	571005824	/nfs/dbraw/zinc/00/58/24/571005824.db2.gz	FEKDVMCOEZSDER-LPYMAVHISA-N	0	0	366.465	4.554	40	30		FJEBRN
Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1	ZINC000032115443	571056802	/nfs/dbraw/zinc/05/68/02/571056802.db2.gz	PFHNHKQDVOCBDP-XIEYBQDHSA-N	0	0	372.468	4.570	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C#N	ZINC000225854613	571074841	/nfs/dbraw/zinc/07/48/41/571074841.db2.gz	KNLIGNCYDBPPJJ-KKSFZXQISA-N	0	0	358.482	4.661	40	30		FJEBRN
COc1ccccc1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O	ZINC000059224185	571087981	/nfs/dbraw/zinc/08/79/81/571087981.db2.gz	FEKVPWLFLRMVFY-SXGWCWSVSA-N	0	0	358.850	4.549	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c(C)c1	ZINC000059249123	571088568	/nfs/dbraw/zinc/08/85/68/571088568.db2.gz	JOLLFTRWEHLQRT-LPYMAVHISA-N	0	0	352.821	4.976	40	30		FJEBRN
COc1cccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)c1	ZINC000059459287	571089352	/nfs/dbraw/zinc/08/93/52/571089352.db2.gz	ZMRXBEZXWORPBW-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c1	ZINC000059461355	571089566	/nfs/dbraw/zinc/08/95/66/571089566.db2.gz	HTNUXXRIFPECBX-LNSJNNGNSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c1	ZINC000059461353	571089620	/nfs/dbraw/zinc/08/96/20/571089620.db2.gz	HTNUXXRIFPECBX-SLCIEKFFSA-N	0	0	352.415	4.886	40	30		FJEBRN
CC(C)(C)c1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(C(C)(C)C)c1O	ZINC000096860862	571098733	/nfs/dbraw/zinc/09/87/33/571098733.db2.gz	RBHDOHOHQFDYCT-JJFYIABZSA-N	0	0	370.453	4.736	40	30		FJEBRN
Cc1cccc(C)c1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21	ZINC000001443154	571104036	/nfs/dbraw/zinc/10/40/36/571104036.db2.gz	JMOPZJPFNXBCGV-UHFFFAOYSA-N	0	0	365.396	4.573	40	30		FJEBRN
COc1ccc([C@H](C#N)C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1	ZINC000584905867	571106656	/nfs/dbraw/zinc/10/66/56/571106656.db2.gz	QWRPCHCLCDXKRN-NRFANRHFSA-N	0	0	369.420	4.684	40	30		FJEBRN
CCS[C@H](C)CC1CC(=O)C(C(CC)=NOC/C=C\Cl)C(=O)C1	ZINC000254289951	571139790	/nfs/dbraw/zinc/13/97/90/571139790.db2.gz	SILSDTWXNBZOGF-ZDOCPMNVSA-N	0	0	359.919	4.844	40	30		FJEBRN
C=CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000216781358	571141326	/nfs/dbraw/zinc/14/13/26/571141326.db2.gz	MNEYXUKCVSGWJP-UHFFFAOYSA-N	0	0	351.185	4.555	40	30		FJEBRN
C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4OC)OCC[C@]3(C2)[C@H]1C	ZINC000257276873	571201608	/nfs/dbraw/zinc/20/16/08/571201608.db2.gz	NVMHXKLWOHDCBF-DHAYUYHGSA-N	0	0	353.506	4.975	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@H]3C=CC[C@@H]23)c1	ZINC000138335790	571240565	/nfs/dbraw/zinc/24/05/65/571240565.db2.gz	OOLPSPFENZMUGE-KJJHHQFJSA-N	0	0	359.804	4.597	40	30		FJEBRN
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21	ZINC000006963516	571298108	/nfs/dbraw/zinc/29/81/08/571298108.db2.gz	QTIDDCTVNLBTHL-WAOWUJCRSA-N	0	0	361.401	4.632	40	30		FJEBRN
Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccccc1C	ZINC000007343432	571298762	/nfs/dbraw/zinc/29/87/62/571298762.db2.gz	GDXRDHZWOAFIOY-OEAKJJBVSA-N	0	0	357.461	4.735	40	30		FJEBRN
Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccc(C)cc1	ZINC000007343434	571298803	/nfs/dbraw/zinc/29/88/03/571298803.db2.gz	ZKYCVTGEQAGJPI-OEAKJJBVSA-N	0	0	357.461	4.735	40	30		FJEBRN
CC(C)Oc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1C	ZINC000007343408	571298808	/nfs/dbraw/zinc/29/88/08/571298808.db2.gz	VJZUWDZNPBZMJR-OEAKJJBVSA-N	0	0	358.445	4.960	40	30		FJEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(C(C)(C)C)cc1	ZINC000008267848	571300635	/nfs/dbraw/zinc/30/06/35/571300635.db2.gz	XCDRXCHFSOTPCT-QETBKQIWSA-N	0	0	367.445	4.725	40	30		FJEBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1	ZINC000010118813	571302840	/nfs/dbraw/zinc/30/28/40/571302840.db2.gz	JPKKIGPLNZHDAC-WSDLNYQXSA-N	0	0	369.808	4.940	40	30		FJEBRN
CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(OC)c2O)c1	ZINC000006396812	571310290	/nfs/dbraw/zinc/31/02/90/571310290.db2.gz	SEQPOYGLHRZTQR-CIAFOILYSA-N	0	0	360.841	4.934	40	30		FJEBRN
Cc1csc(N=NCc2ccc(OCc3ccccc3Cl)cc2)n1	ZINC000011992191	571310539	/nfs/dbraw/zinc/31/05/39/571310539.db2.gz	NBRIMVJIGOLWHZ-KEBDBYFISA-N	0	0	357.866	4.552	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2C)C(=O)N1C	ZINC000038361083	571310763	/nfs/dbraw/zinc/31/07/63/571310763.db2.gz	GYWVPDANGIPHOO-NFYBBCHUSA-N	0	0	366.486	4.800	40	30		FJEBRN
N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	ZINC000408766056	571319380	/nfs/dbraw/zinc/31/93/80/571319380.db2.gz	YYKAJZPFSDBLDH-RYRKJORJSA-N	0	0	351.793	4.946	40	30		FJEBRN
N#Cc1ccc(COc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)cc1	ZINC000409193120	571319499	/nfs/dbraw/zinc/31/94/99/571319499.db2.gz	CCJQRFNETVOBFX-FYJGNVAPSA-N	0	0	352.393	4.630	40	30		FJEBRN
CCCCOc1c(I)cc(C(C)(C)C)cc1C#N	ZINC000225293028	571319628	/nfs/dbraw/zinc/31/96/28/571319628.db2.gz	HTCOFJLGAXMGLR-UHFFFAOYSA-N	0	0	357.235	4.639	40	30		FJEBRN
CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N	ZINC000225683503	571337806	/nfs/dbraw/zinc/33/78/06/571337806.db2.gz	DAKCMYGAWOSVEZ-UHFFFAOYSA-N	0	0	366.436	4.935	40	30		FJEBRN
COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000225798638	571338384	/nfs/dbraw/zinc/33/83/84/571338384.db2.gz	QCLXDWRVSSMLKF-UHFFFAOYSA-N	0	0	360.498	4.761	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1	ZINC000225833103	571338523	/nfs/dbraw/zinc/33/85/23/571338523.db2.gz	RAGUOKGYJPPTLW-IERDGZPVSA-N	0	0	358.482	4.661	40	30		FJEBRN
N#Cc1c(N)n(Cc2ccccc2Cl)nc1Cc1cccc2ccccc21	ZINC000225839551	571338576	/nfs/dbraw/zinc/33/85/76/571338576.db2.gz	PXAPXYAJOZWDLL-UHFFFAOYSA-N	0	0	372.859	4.783	40	30		FJEBRN
N#Cc1c(N)n(Cc2cccc3ccccc32)nc1Cc1ccc(Cl)cc1	ZINC000225848691	571338670	/nfs/dbraw/zinc/33/86/70/571338670.db2.gz	DVVZVEMPAONWBJ-UHFFFAOYSA-N	0	0	372.859	4.783	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCC1	ZINC000225851983	571338773	/nfs/dbraw/zinc/33/87/73/571338773.db2.gz	XQGOOHUKQPXQMB-MRXNPFEDSA-N	0	0	358.482	4.804	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225855427	571338814	/nfs/dbraw/zinc/33/88/14/571338814.db2.gz	AIOPKCIUQVFBCL-VGOFRKELSA-N	0	0	372.509	4.907	40	30		FJEBRN
COc1ccccc1Oc1c(N)cc(C#N)n1Cc1cccc2ccccc21	ZINC000225883635	571338899	/nfs/dbraw/zinc/33/88/99/571338899.db2.gz	SCEVBYFNRZTAPX-UHFFFAOYSA-N	0	0	369.424	4.944	40	30		FJEBRN
Cc1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1C	ZINC000059109382	571355255	/nfs/dbraw/zinc/35/52/55/571355255.db2.gz	LEVVLPMVXXHMMK-UHFFFAOYSA-N	0	0	369.262	4.971	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1	ZINC000034791493	210249343	/nfs/dbraw/zinc/24/93/43/210249343.db2.gz	ADWCFWMXMCYRHT-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=CCc1cc(C(=O)NCCCc2ccccc2OCCC)ccc1OC	ZINC000218657254	210175222	/nfs/dbraw/zinc/17/52/22/210175222.db2.gz	MBMYKJDXPBYMKN-UHFFFAOYSA-N	0	0	367.489	4.575	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)OCC)c1C	ZINC000219813104	210174448	/nfs/dbraw/zinc/17/44/48/210174448.db2.gz	TXQQTUADCAZNAT-UHFFFAOYSA-N	0	0	355.459	4.702	40	30		FJEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(F)cc1Cl	ZINC000216826194	210162063	/nfs/dbraw/zinc/16/20/63/210162063.db2.gz	MOUAPCKSMDFALY-ZBKNUEDVSA-N	0	0	358.196	4.918	40	30		FJEBRN
C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1	ZINC000016711452	210146441	/nfs/dbraw/zinc/14/64/41/210146441.db2.gz	WSLHFAQQHMYLCE-LNVKXUELSA-N	0	0	363.486	4.902	40	30		FJEBRN
C=CCOc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)oc1C	ZINC000012204304	210140026	/nfs/dbraw/zinc/14/00/26/210140026.db2.gz	DWGGVLJJPFSHIM-UHFFFAOYSA-N	0	0	352.365	4.606	40	30		FJEBRN
O=C1c2ccccc2C(=O)C(NCc2c(Cl)cccc2Cl)=C1Cl	ZINC000101246074	210085538	/nfs/dbraw/zinc/08/55/38/210085538.db2.gz	FNPFLHFPBJHCHA-UHFFFAOYSA-N	0	0	366.631	4.613	40	30		FJEBRN
N#Cc1c(N)n(-c2cccc(Cl)c2)nc1-c1ccc(C(F)(F)F)cc1	ZINC000039955266	210045285	/nfs/dbraw/zinc/04/52/85/210045285.db2.gz	OODJGUJQIYJNSS-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
CCOC(=O)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000000855464	219331828	/nfs/dbraw/zinc/33/18/28/219331828.db2.gz	CFYQGNDECDSOFK-UHFFFAOYSA-N	0	0	370.412	4.588	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225854703	222874777	/nfs/dbraw/zinc/87/47/77/222874777.db2.gz	VVAYQOFUCQTFNY-HRAATJIYSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225855223	222874854	/nfs/dbraw/zinc/87/48/54/222874854.db2.gz	PISWEQCHYDRZAG-HRAATJIYSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1	ZINC000225855121	222875316	/nfs/dbraw/zinc/87/53/16/222875316.db2.gz	BARMDHKYTCGVNF-HRAATJIYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC(C)CC1	ZINC000225856866	222875319	/nfs/dbraw/zinc/87/53/19/222875319.db2.gz	ASPIDSBLPZYAQN-UHFFFAOYSA-N	0	0	372.509	4.907	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1	ZINC000004849190	219613412	/nfs/dbraw/zinc/61/34/12/219613412.db2.gz	SRZBFFMWVSKCOH-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl	ZINC000005444145	219680747	/nfs/dbraw/zinc/68/07/47/219680747.db2.gz	WLEIZGSKHQAVTM-SFHVURJKSA-N	0	0	369.848	4.574	40	30		FJEBRN
C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Br)cc2)c1	ZINC000216896879	203868469	/nfs/dbraw/zinc/86/84/69/203868469.db2.gz	NYQUGYXOCYOFFB-DHZHZOJOSA-N	0	0	373.246	4.771	40	30		FJEBRN
N#CCc1c2ccccc2n(S(=O)(=O)c2ccccc2)c1-c1ccccc1	ZINC000001633580	204014965	/nfs/dbraw/zinc/01/49/65/204014965.db2.gz	GWAZUEMNSNAMFP-UHFFFAOYSA-N	0	0	372.449	4.611	40	30		FJEBRN
OC(c1ccccc1)(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000001675597	204016965	/nfs/dbraw/zinc/01/69/65/204016965.db2.gz	GKZONMQJEYWGPZ-UHFFFAOYSA-N	0	0	352.249	4.755	40	30		FJEBRN
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccc(F)c1	ZINC000005376974	204205616	/nfs/dbraw/zinc/20/56/16/204205616.db2.gz	OVIHEEUHICTKJK-AUWJEWJLSA-N	0	0	350.777	4.510	40	30		FJEBRN
COc1ccc2[nH]c(=NN=C(c3ccccc3)c3ccccn3)cc(C)c2c1	ZINC000005392980	204206617	/nfs/dbraw/zinc/20/66/17/204206617.db2.gz	NAEJVBUMPICYKC-VYIQYICTSA-N	0	0	368.440	4.811	40	30		FJEBRN
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(CC)cc2)S1	ZINC000005551583	204214346	/nfs/dbraw/zinc/21/43/46/204214346.db2.gz	DDHAYMGAZIHKSL-AQTBWJFISA-N	0	0	352.459	4.539	40	30		FJEBRN
Cc1ccc2occ(C=NNc3nc4c(cccc4Cl)s3)c(=O)c2c1	ZINC000005618990	204218182	/nfs/dbraw/zinc/21/81/82/204218182.db2.gz	CZBSDYOWBSYXJX-DNTJNYDQSA-N	0	0	369.833	4.811	40	30		FJEBRN
CCOc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1	ZINC000035289107	204222028	/nfs/dbraw/zinc/22/20/28/204222028.db2.gz	PCYASDMIAZWPFR-UHFFFAOYSA-N	0	0	366.417	4.619	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC(c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000005734327	204223117	/nfs/dbraw/zinc/22/31/17/204223117.db2.gz	JROKPHOMKXLVLN-ZZEZOPTASA-N	0	0	354.366	4.509	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2cc1C	ZINC000035289278	204223319	/nfs/dbraw/zinc/22/33/19/204223319.db2.gz	FSIZCHWGUVFCMD-UHFFFAOYSA-N	0	0	350.418	4.837	40	30		FJEBRN
N#CC1(c2ccccc2)CCN(C(=O)Nc2cccc3ccccc32)CC1	ZINC000006884992	204279810	/nfs/dbraw/zinc/27/98/10/204279810.db2.gz	AFOGYNUPWSBDHY-UHFFFAOYSA-N	0	0	355.441	4.929	40	30		FJEBRN
O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1	ZINC000036020252	204356672	/nfs/dbraw/zinc/35/66/72/204356672.db2.gz	WQBFEDKQLYLNNF-NVMNQCDNSA-N	0	0	358.810	4.818	40	30		FJEBRN
C#CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21	ZINC000009196007	204358414	/nfs/dbraw/zinc/35/84/14/204358414.db2.gz	LQWNPEQUGVQOBB-SSDVNMTOSA-N	0	0	356.256	4.705	40	30		FJEBRN
N#Cc1cccc(NC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c1	ZINC000012621563	220014971	/nfs/dbraw/zinc/01/49/71/220014971.db2.gz	DONTYUQNDIFBDD-MYMYQCDVSA-N	0	0	373.294	4.621	40	30		FJEBRN
C[C@@H]1N(Cc2ccccc2)[C@@H](C)C2=C(CCCC2=O)N1C1CCCCC1	ZINC000054201849	205198447	/nfs/dbraw/zinc/19/84/47/205198447.db2.gz	QAGILMRZNWONPW-ZWKOTPCHSA-N	0	0	352.522	4.879	40	30		FJEBRN
CC(=O)Nc1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2	ZINC000104085912	205998297	/nfs/dbraw/zinc/99/82/97/205998297.db2.gz	PEDPYQNBVZXDKH-MSXFZWOLSA-N	0	0	370.408	4.696	40	30		FJEBRN
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000118923388	206103757	/nfs/dbraw/zinc/10/37/57/206103757.db2.gz	DKDMFHJMQAAUII-XNRHGJAWSA-N	0	0	362.485	4.788	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1	ZINC000225545178	206116749	/nfs/dbraw/zinc/11/67/49/206116749.db2.gz	FJVOVRWCCUBNPB-UHFFFAOYSA-N	0	0	360.910	4.824	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1	ZINC000225524758	206117069	/nfs/dbraw/zinc/11/70/69/206117069.db2.gz	BNYDZLJWTTWOJX-UHFFFAOYSA-N	0	0	356.491	4.525	40	30		FJEBRN
CCc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1	ZINC000000786876	206131872	/nfs/dbraw/zinc/13/18/72/206131872.db2.gz	GRMQXVRLAJTHPK-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C(\C)c1ccco1	ZINC000001463611	206150145	/nfs/dbraw/zinc/15/01/45/206150145.db2.gz	GQWVKROJLMMQFI-UWEMVVJISA-N	0	0	357.866	4.974	40	30		FJEBRN
Fc1cccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1	ZINC000003896043	206165857	/nfs/dbraw/zinc/16/58/57/206165857.db2.gz	URZYFSHRQFIZCL-FOKLQQMPSA-N	0	0	360.314	4.748	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1C	ZINC000004849113	206180848	/nfs/dbraw/zinc/18/08/48/206180848.db2.gz	VHVYAOYXVGMZTR-KBXCAEBGSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1	ZINC000004849193	206181314	/nfs/dbraw/zinc/18/13/14/206181314.db2.gz	IPMRMHBVWOBXRI-KSSFIOAISA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1ccc(/C(=N\Cc2ccccc2)NC(=S)NC2CCCCC2)cc1	ZINC000005928047	206198567	/nfs/dbraw/zinc/19/85/67/206198567.db2.gz	WRZXQDWKASDULF-UHFFFAOYSA-N	0	0	365.546	4.739	40	30		FJEBRN
COc1c(Br)cc(/C=N/c2ccccc2)cc1Br	ZINC000100286250	206222244	/nfs/dbraw/zinc/22/22/44/206222244.db2.gz	CXBGPVGMKIGHCU-RQZCQDPDSA-N	0	0	369.056	4.971	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1C	ZINC000005613075	206240835	/nfs/dbraw/zinc/24/08/35/206240835.db2.gz	RXJZDDSAQUAOLL-LICLKQGHSA-N	0	0	372.877	4.857	40	30		FJEBRN
COc1cc(C(C)=NNc2ccccc2C(F)(F)F)cc(OC)c1OC	ZINC000013101352	206301870	/nfs/dbraw/zinc/30/18/70/206301870.db2.gz	AYSGHSDKLLGTOR-SSDVNMTOSA-N	0	0	368.355	4.567	40	30		FJEBRN
CCOC(=O)c1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1	ZINC000018207070	206324925	/nfs/dbraw/zinc/32/49/25/206324925.db2.gz	WFXVFKHVWSBMSH-UHFFFAOYSA-N	0	0	362.473	4.790	40	30		FJEBRN
Clc1nc2sccn2c1/C=N/N=C(c1ccccc1)c1ccccc1	ZINC000021187688	206351930	/nfs/dbraw/zinc/35/19/30/206351930.db2.gz	AQHQSRDTYTXKHW-FYJGNVAPSA-N	0	0	364.861	4.921	40	30		FJEBRN
C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccc(Oc2ccccc2)c1	ZINC000022078569	211338431	/nfs/dbraw/zinc/33/84/31/211338431.db2.gz	NACDIMVLKYHRRO-NCELDCMTSA-N	0	0	371.484	4.631	40	30		FJEBRN
CCCOc1cccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1	ZINC000020797242	211295258	/nfs/dbraw/zinc/29/52/58/211295258.db2.gz	NMVLMAWALBDUJZ-NRFANRHFSA-N	0	0	361.445	4.703	40	30		FJEBRN
CN(C)c1ccc(/C=N\N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1	ZINC000019891396	211259152	/nfs/dbraw/zinc/25/91/52/211259152.db2.gz	DPNROQKODOXKPL-IINORCHSSA-N	0	0	363.292	4.578	40	30		FJEBRN
C/C(=N/n1c(=O)c2ccccc2nc1-c1ccccc1)c1ccc(C)cc1	ZINC000017024204	211175586	/nfs/dbraw/zinc/17/55/86/211175586.db2.gz	XDEXXXDLPPIXEU-UQQQWYQISA-N	0	0	353.425	4.644	40	30		FJEBRN
CC(/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2)=C\c1ccccc1	ZINC000016919495	211171863	/nfs/dbraw/zinc/17/18/63/211171863.db2.gz	AEIWRXJWGCFDOT-PQCVPMFUSA-N	0	0	353.535	4.509	40	30		FJEBRN
CCOC(=O)c1c(/C=C/c2ccco2)[nH]c(=S)c(C#N)c1-c1ccco1	ZINC000005473551	210621779	/nfs/dbraw/zinc/62/17/79/210621779.db2.gz	FKJQJDFFFXCKJP-BQYQJAHWSA-N	0	0	366.398	4.816	40	30		FJEBRN
CCCCOC(=O)[C@H](C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1	ZINC000005514036	210626266	/nfs/dbraw/zinc/62/62/66/210626266.db2.gz	TYIYMOAHACZAMQ-AWEZNQCLSA-N	0	0	357.381	4.600	40	30		FJEBRN
Cc1cccc(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c1C	ZINC000005376644	210617156	/nfs/dbraw/zinc/61/71/56/210617156.db2.gz	MDOWKBHLHTUEQL-YBFXNURJSA-N	0	0	361.470	4.687	40	30		FJEBRN
CC(=O)/C(=C/n1c2ccccc2sc1=S)C(=O)Nc1ccccc1C	ZINC000001636503	210364507	/nfs/dbraw/zinc/36/45/07/210364507.db2.gz	TZDWRHSGVABMAW-KAMYIIQDSA-N	0	0	368.483	4.809	40	30		FJEBRN
COc1cccc(/C=C2/S/C(=N\c3ccc4ccccc4c3)NC2=O)c1	ZINC000059488403	221126067	/nfs/dbraw/zinc/12/60/67/221126067.db2.gz	UXKPPABWLSRDKC-XDHOZWIPSA-N	0	0	360.438	4.740	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@H]2[C@@H]([C@@H]3C=C[C@H]2C3)C1(F)F	ZINC000100045540	222233623	/nfs/dbraw/zinc/23/36/23/222233623.db2.gz	NGEYGRCDNBGSKG-WOCMDNMUSA-N	0	0	358.175	4.546	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)[C@H]2[C@@H]([C@H]3C=C[C@@H]2C3)C1(F)F	ZINC000100045539	222233644	/nfs/dbraw/zinc/23/36/44/222233644.db2.gz	NGEYGRCDNBGSKG-LYNCRYNASA-N	0	0	358.175	4.546	40	30		FJEBRN
C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)o1	ZINC000102960214	222314346	/nfs/dbraw/zinc/31/43/46/222314346.db2.gz	WFHFGXCWRFPIBY-AJHYVYAYSA-N	0	0	366.273	4.838	40	30		FJEBRN
CCn1c2ccccc2c2cc(/N=C3\c4ccccc4N(C)C3=O)ccc21	ZINC000104088631	222350280	/nfs/dbraw/zinc/35/02/80/222350280.db2.gz	BROGKPBGBFHTDH-ZNTNEXAZSA-N	0	0	353.425	4.912	40	30		FJEBRN
O=C(/C=C/c1ccco1)C(C(=O)/C=C/c1ccco1)=C1SCCCS1	ZINC000001083132	263142355	/nfs/dbraw/zinc/14/23/55/263142355.db2.gz	CDXRSHKKQZISJY-CDJQDVQCSA-N	0	0	372.467	4.819	40	30		FJEBRN
C#CCOc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c1	ZINC000019240244	263374280	/nfs/dbraw/zinc/37/42/80/263374280.db2.gz	MVZZMWRQCNATJH-LJQANCHMSA-N	0	0	368.527	4.599	40	30		FJEBRN
COc1ccc2cc(C3=CC(=NNc4cccc(C)c4)C(=O)O3)ccc2c1	ZINC000408725571	263491441	/nfs/dbraw/zinc/49/14/41/263491441.db2.gz	KSBCJXLOWTXUDB-GFMRDNFCSA-N	0	0	358.397	4.523	40	30		FJEBRN
O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1	ZINC000408849672	263501106	/nfs/dbraw/zinc/50/11/06/263501106.db2.gz	XOWVYZNJLPZCQG-UNOMPAQXSA-N	0	0	370.206	4.899	40	30		FJEBRN
COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1	ZINC000408883536	263503800	/nfs/dbraw/zinc/50/38/00/263503800.db2.gz	QDEAVSPMBQPNHV-WIXUPIFPSA-N	0	0	370.861	4.796	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1C	ZINC000408909230	263506638	/nfs/dbraw/zinc/50/66/38/263506638.db2.gz	GRNUXKVIYDUSQJ-NFYBBCHUSA-N	0	0	366.486	4.800	40	30		FJEBRN
CCn1c(C)c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21	ZINC000409038646	263519411	/nfs/dbraw/zinc/51/94/11/263519411.db2.gz	PWWXAIJLAZZNLY-LIMNOBDPSA-N	0	0	369.284	4.684	40	30		FJEBRN
O=S(=O)(Oc1cccc(/C=N\c2ccccc2)c1)c1ccc(Cl)cc1	ZINC000409211455	263541611	/nfs/dbraw/zinc/54/16/11/263541611.db2.gz	NVXDBTCOINNBRQ-STZFKDTASA-N	0	0	371.845	4.858	40	30		FJEBRN
Cc1cccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c1C	ZINC000409212614	263542611	/nfs/dbraw/zinc/54/26/11/263542611.db2.gz	QYUHKPMYECDRAA-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
COc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cn1	ZINC000409220467	263542830	/nfs/dbraw/zinc/54/28/30/263542830.db2.gz	ABWVNZVMUUNHLR-ZMOGYAJESA-N	0	0	359.404	4.983	40	30		FJEBRN
Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3O)c2)cc1C	ZINC000409379812	263553351	/nfs/dbraw/zinc/55/33/51/263553351.db2.gz	ZSJYOPBSKVOYKB-OYKKKHCWSA-N	0	0	374.440	4.777	40	30		FJEBRN
C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224933303	518810250	/nfs/dbraw/zinc/81/02/50/518810250.db2.gz	QMTXBPZOEKMFBL-UHFFFAOYSA-N	0	0	370.301	4.937	40	30		FJEBRN
C=CCOc1ccccc1C=C1SC(Nc2ccccc2CC)=NC1=O	ZINC000006871095	519065549	/nfs/dbraw/zinc/06/55/49/519065549.db2.gz	JDRPUVHTIVOMJH-RGEXLXHISA-N	0	0	364.470	4.896	40	30		FJEBRN
CC(=O)/C(=C/n1c2ccccc2sc1=S)C(=O)Nc1ccccc1	ZINC000001637636	519351784	/nfs/dbraw/zinc/35/17/84/519351784.db2.gz	QJJQHGPBHSLVTP-KAMYIIQDSA-N	0	0	354.456	4.501	40	30		FJEBRN
CCCC(=O)Nc1ccc(-c2csc(N=NCc3ccco3)n2)cc1	ZINC000006782924	519877269	/nfs/dbraw/zinc/87/72/69/519877269.db2.gz	LGWIBZTZVSXVFY-YBFXNURJSA-N	0	0	354.435	4.588	40	30		FJEBRN
CCCn1nnnc1/N=C/c1c(OCc2ccccc2)ccc2ccccc21	ZINC000006139060	519896847	/nfs/dbraw/zinc/89/68/47/519896847.db2.gz	PNIDUPCOSRHJQC-HZHRSRAPSA-N	0	0	371.444	4.566	40	30		FJEBRN
CC(=O)Nc1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1	ZINC000328956371	520174750	/nfs/dbraw/zinc/17/47/50/520174750.db2.gz	AFKXXMQUYCGJSQ-UHFFFAOYSA-N	0	0	365.481	4.872	40	30		FJEBRN
CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)N1CC	ZINC000223525229	520206949	/nfs/dbraw/zinc/20/69/49/520206949.db2.gz	ZCRNAASCXGTHRQ-UPWKPQIYSA-N	0	0	371.550	4.721	40	30		FJEBRN
CC1(C)OC(=CC=CC(=O)C=C(N)c2ccccc2)C=C(c2ccccc2)O1	ZINC000100561173	520607916	/nfs/dbraw/zinc/60/79/16/520607916.db2.gz	JKTDDLQJKLQVLD-BAXYMUQXSA-N	0	0	373.452	4.819	40	30		FJEBRN
CCCCc1ccc(/N=C2\c3ccccc3N(CN(CC)CC)C2=O)cc1	ZINC000034897303	521270336	/nfs/dbraw/zinc/27/03/36/521270336.db2.gz	AWZHXCYZMYTPGH-ZNTNEXAZSA-N	0	0	363.505	4.796	40	30		FJEBRN
CCCc1sc(N=NCc2cccnc2)nc1-c1ccc(C)cc1C	ZINC000019894523	521612061	/nfs/dbraw/zinc/61/20/61/521612061.db2.gz	NKBKOKLZGBHJEF-LPYMAVHISA-N	0	0	350.491	4.642	40	30		FJEBRN
COc1cc(/C=C\C(=O)c2sc(Nc3ccccc3)nc2C)ccc1O	ZINC000005732353	521985584	/nfs/dbraw/zinc/98/55/84/521985584.db2.gz	OFVZCBQTOWOILR-LUAWRHEFSA-N	0	0	366.442	4.805	40	30		FJEBRN
COc1ccc(C(C)N=Nc2ncc(-c3sc(C)nc3C)s2)cc1	ZINC000005724588	523363048	/nfs/dbraw/zinc/36/30/48/523363048.db2.gz	OWRHYBPSPASUMA-KEBDBYFISA-N	0	0	358.492	4.728	40	30		FJEBRN
CN(/N=C/c1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000005003341	523771565	/nfs/dbraw/zinc/77/15/65/523771565.db2.gz	ZKWDZWKEAAHHEK-KOEQRZSOSA-N	0	0	365.440	4.676	40	30		FJEBRN
Cc1ccc(C)c(-c2csc(N=NCc3cccc([N+](=O)[O-])c3)n2)c1	ZINC000004957159	526256612	/nfs/dbraw/zinc/25/66/12/526256612.db2.gz	GEKOKUKHCYYFKZ-VXLYETTFSA-N	0	0	352.419	4.781	40	30		FJEBRN
COc1ccccc1/N=C/c1cc(Br)c(Br)o1	ZINC000059104356	571086876	/nfs/dbraw/zinc/08/68/76/571086876.db2.gz	VJCGWPAXJXQLAJ-VIZOYTHASA-N	0	0	359.017	4.564	40	30		FJEBRN
COc1ccc(CN/N=C(\C)c2ccc(Cc3ccccc3)cc2)cc1OC	ZINC000216059335	568103143	/nfs/dbraw/zinc/10/31/43/568103143.db2.gz	MLABVKHKJRMOFM-NLRVBDNBSA-N	0	0	374.484	4.808	40	30		FJEBRN
C(=N\Oc1ncnc2ccccc21)\c1ccc(OCc2ccccc2)cc1	ZINC000012376529	568641024	/nfs/dbraw/zinc/64/10/24/568641024.db2.gz	LOYKHGAQNMQADG-QFEZKATASA-N	0	0	355.397	4.622	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3c(O)ccc4ccccc43)S2)cc1	ZINC000408529174	570509329	/nfs/dbraw/zinc/50/93/29/570509329.db2.gz	GITJUMLFMSJTTF-UNOMPAQXSA-N	0	0	360.438	4.745	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O	ZINC000408532424	570511493	/nfs/dbraw/zinc/51/14/93/570511493.db2.gz	OKGDZKLEKCPGMJ-AQTBWJFISA-N	0	0	367.495	4.966	40	30		FJEBRN
CCCOc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1	ZINC000408531215	570512659	/nfs/dbraw/zinc/51/26/59/570512659.db2.gz	LHMIQACFMKLSNM-AQTBWJFISA-N	0	0	352.459	4.675	40	30		FJEBRN
Fc1c(F)c(F)c(CCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F	ZINC000104271277	570521024	/nfs/dbraw/zinc/52/10/24/570521024.db2.gz	QDEBTPSMADCMKH-UHFFFAOYSA-N	0	0	362.166	4.863	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC	ZINC000408562728	570555566	/nfs/dbraw/zinc/55/55/66/570555566.db2.gz	RUAXRBWIRGVLBG-UHFFFAOYSA-N	0	0	374.554	4.850	40	30		FJEBRN
C=CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC	ZINC000408571327	570557118	/nfs/dbraw/zinc/55/71/18/570557118.db2.gz	OIVSNXQFRJTHDW-GOSISDBHSA-N	0	0	366.417	4.540	40	30		FJEBRN
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F	ZINC000408593636	570575124	/nfs/dbraw/zinc/57/51/24/570575124.db2.gz	QSMXGDHSMRAREI-WSDLNYQXSA-N	0	0	367.380	4.692	40	30		FJEBRN
Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1	ZINC000408595229	570575625	/nfs/dbraw/zinc/57/56/25/570575625.db2.gz	WBGMFPNLZGWHOJ-XKZIYDEJSA-N	0	0	363.417	4.861	40	30		FJEBRN
Cc1nc(C(=O)Nc2ccc3nsnc3c2)cc2c3ccccc3[nH]c21	ZINC000004351390	570586537	/nfs/dbraw/zinc/58/65/37/570586537.db2.gz	RSUMUSFQDRKNRW-UHFFFAOYSA-N	0	0	359.414	4.666	40	30		FJEBRN
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c1	ZINC000005376648	570625596	/nfs/dbraw/zinc/62/55/96/570625596.db2.gz	YANXCVOANQQJBD-YBFXNURJSA-N	0	0	361.470	4.687	40	30		FJEBRN
COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12	ZINC000137514433	570631870	/nfs/dbraw/zinc/63/18/70/570631870.db2.gz	VNYRBFVHPNTOEV-KCNVCSLJSA-N	0	0	366.467	4.723	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1C	ZINC000408706625	570658410	/nfs/dbraw/zinc/65/84/10/570658410.db2.gz	BAHAQIZLGGJPLJ-UHFFFAOYSA-N	0	0	352.906	4.844	40	30		FJEBRN
CCCOc1ccccc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2	ZINC000004535179	570669005	/nfs/dbraw/zinc/66/90/05/570669005.db2.gz	YYLWOXFIIGBFEO-UHFFFAOYSA-N	0	0	365.473	4.519	40	30		FJEBRN
Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O	ZINC000408721481	570675261	/nfs/dbraw/zinc/67/52/61/570675261.db2.gz	RIDWOXAZWMOVBN-ODLFYWEKSA-N	0	0	361.470	4.985	40	30		FJEBRN
CCOc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1	ZINC000408722262	570676190	/nfs/dbraw/zinc/67/61/90/570676190.db2.gz	FYUCKGWYSFLZRO-SRZZPIQSSA-N	0	0	366.442	4.860	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	ZINC000408737751	570684831	/nfs/dbraw/zinc/68/48/31/570684831.db2.gz	GIFRESXPHFNCMC-YDZHTSKRSA-N	0	0	350.393	4.770	40	30		FJEBRN
O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cccc(O)c1	ZINC000408777208	570685956	/nfs/dbraw/zinc/68/59/56/570685956.db2.gz	WIRPBMJLYGVNJS-JYRVWZFOSA-N	0	0	365.241	4.591	40	30		FJEBRN
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1	ZINC000408779323	570686822	/nfs/dbraw/zinc/68/68/22/570686822.db2.gz	VCXJEMMGRNHJHH-MFKUBSTISA-N	0	0	371.440	4.893	40	30		FJEBRN
COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1C	ZINC000408739031	570687135	/nfs/dbraw/zinc/68/71/35/570687135.db2.gz	RRTNRRYVDIRIRB-YVLHZVERSA-N	0	0	372.877	4.857	40	30		FJEBRN
CC(C)NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1	ZINC000408807495	570688366	/nfs/dbraw/zinc/68/83/66/570688366.db2.gz	DAPUPXPUYPUHFH-FBHDLOMBSA-N	0	0	365.260	4.647	40	30		FJEBRN
COC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000408808305	570688658	/nfs/dbraw/zinc/68/86/58/570688658.db2.gz	FLTVJAFDWLQMBN-AFPJDJCSSA-N	0	0	371.742	4.661	40	30		FJEBRN
O=C1C=CC(=[NH+][N-]c2ccccc2)C=C1C=NNc1ccc([N+](=O)[O-])cn1	ZINC000408749394	570689502	/nfs/dbraw/zinc/68/95/02/570689502.db2.gz	GOEHTUUSJPCDBZ-IYZLPOSQSA-N	0	0	362.349	4.557	40	30		FJEBRN
O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccc(F)cc1	ZINC000408813676	570689475	/nfs/dbraw/zinc/68/94/75/570689475.db2.gz	YISOFWIZGKJMGS-CFRMEGHHSA-N	0	0	366.367	4.733	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c(C)c1	ZINC000408846169	570691607	/nfs/dbraw/zinc/69/16/07/570691607.db2.gz	IQVMIAYTJWBVSD-ZHZULCJRSA-N	0	0	373.481	4.986	40	30		FJEBRN
COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1C	ZINC000408872008	570694368	/nfs/dbraw/zinc/69/43/68/570694368.db2.gz	JACISEVOQPWBLE-MFOYZWKCSA-N	0	0	372.877	4.857	40	30		FJEBRN
CCCCOc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408889707	570695202	/nfs/dbraw/zinc/69/52/02/570695202.db2.gz	FZNRXZFARIDNJO-JXAWBTAJSA-N	0	0	352.459	4.757	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1	ZINC000408907643	570697520	/nfs/dbraw/zinc/69/75/20/570697520.db2.gz	OJCOLXHAUGBXMU-BIXZQSIESA-N	0	0	352.459	4.708	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1c(C)cccc1C	ZINC000408908258	570697867	/nfs/dbraw/zinc/69/78/67/570697867.db2.gz	QTZLRLLQSPNFPI-MSYUKONTSA-N	0	0	352.459	4.633	40	30		FJEBRN
COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1	ZINC000408910146	570698003	/nfs/dbraw/zinc/69/80/03/570698003.db2.gz	WNFXPLQFSSMOOX-BIXZQSIESA-N	0	0	352.459	4.708	40	30		FJEBRN
Cc1ccc(COc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000408910420	570698381	/nfs/dbraw/zinc/69/83/81/570698381.db2.gz	KFAVRGXAIYNBMG-HMAPJEAMSA-N	0	0	361.401	4.928	40	30		FJEBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000408913639	570698826	/nfs/dbraw/zinc/69/88/26/570698826.db2.gz	VUQXNFYCXZRIPK-ODLFYWEKSA-N	0	0	366.333	4.517	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2)C(=O)N1CC	ZINC000408915521	570699183	/nfs/dbraw/zinc/69/91/83/570699183.db2.gz	PUMOVGZRVCAANY-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
CC/N=C1/S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC	ZINC000408931564	570699993	/nfs/dbraw/zinc/69/99/93/570699993.db2.gz	NEDNXVQXVQHJKF-KIOXBDSISA-N	0	0	366.486	4.578	40	30		FJEBRN
CC/N=C1/S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C(=O)N1CC	ZINC000408931408	570700794	/nfs/dbraw/zinc/70/07/94/570700794.db2.gz	LGNXYXZYZOUGQW-AHAYOKOZSA-N	0	0	366.914	4.829	40	30		FJEBRN
C=CCc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(OCC)c1O	ZINC000408930763	570700810	/nfs/dbraw/zinc/70/08/10/570700810.db2.gz	BTGBWSPHWLWCHR-FMCGGJTJSA-N	0	0	364.367	4.984	40	30		FJEBRN
COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc2ccccc21	ZINC000408934475	570701256	/nfs/dbraw/zinc/70/12/56/570701256.db2.gz	BABFUWOUJFVWES-UDWIEESQSA-N	0	0	373.408	4.744	40	30		FJEBRN
COC(=O)c1cc(/N=C/c2ccc(N3CCCCC3)cc2)ccc1Cl	ZINC000408961936	570703768	/nfs/dbraw/zinc/70/37/68/570703768.db2.gz	VSWWLXZJTKJTIG-HYARGMPZSA-N	0	0	356.853	4.868	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)cc1	ZINC000408962692	570703776	/nfs/dbraw/zinc/70/37/76/570703776.db2.gz	JGOBNZBGSGJRGH-LDADJPATSA-N	0	0	352.459	4.674	40	30		FJEBRN
COc1ccc(Br)cc1/C=N/c1cc(C)nn1-c1ccccc1	ZINC000408968677	570705084	/nfs/dbraw/zinc/70/50/84/570705084.db2.gz	AYFWVOPGGOLIGY-UDWIEESQSA-N	0	0	370.250	4.702	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O	ZINC000408994728	570709793	/nfs/dbraw/zinc/70/97/93/570709793.db2.gz	ZVUXIMSJQGQRBB-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
CC(C)n1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21	ZINC000409039953	570715545	/nfs/dbraw/zinc/71/55/45/570715545.db2.gz	RSOJVIKNHFMZNC-HCGXMYGOSA-N	0	0	369.284	4.936	40	30		FJEBRN
Cc1csc(N=NCc2ccc(OC(=O)c3cccc(Cl)c3)cc2)n1	ZINC000409053387	570716882	/nfs/dbraw/zinc/71/68/82/570716882.db2.gz	JPPMYEGKECEIRA-KEBDBYFISA-N	0	0	371.849	4.770	40	30		FJEBRN
CCOc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cn2)cc1OC	ZINC000409067157	570718484	/nfs/dbraw/zinc/71/84/84/570718484.db2.gz	PIZVDHVDXMFSGG-GZIVZEMBSA-N	0	0	373.762	4.607	40	30		FJEBRN
O=[N+]([O-])c1cccnc1N=NCc1ccccc1Sc1ccccc1	ZINC000409075408	570718803	/nfs/dbraw/zinc/71/88/03/570718803.db2.gz	YIQXNKFPXYNFMR-MOSHPQCFSA-N	0	0	350.403	4.587	40	30		FJEBRN
COc1ccc(Cl)cc1/N=C/c1cc(OC)c(N2CCCC2)cc1OC	ZINC000409095175	570721604	/nfs/dbraw/zinc/72/16/04/570721604.db2.gz	HGPNYGQVLFSJTG-LPYMAVHISA-N	0	0	374.868	4.717	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O	ZINC000409089347	570722006	/nfs/dbraw/zinc/72/20/06/570722006.db2.gz	MBXZSNYYIPJQNY-RVDMUPIBSA-N	0	0	357.456	4.962	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cn1	ZINC000409089913	570722034	/nfs/dbraw/zinc/72/20/34/570722034.db2.gz	NNWKJPKUFQSVQU-DHRITJCHSA-N	0	0	369.346	4.712	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O	ZINC000409097106	570722988	/nfs/dbraw/zinc/72/29/88/570722988.db2.gz	MLGRSQADZXMYEU-GZTJUZNOSA-N	0	0	372.877	4.970	40	30		FJEBRN
COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl	ZINC000409095655	570723175	/nfs/dbraw/zinc/72/31/75/570723175.db2.gz	IESLREDSLRDXNQ-DNTJNYDQSA-N	0	0	373.718	4.722	40	30		FJEBRN
Fc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc(C(F)(F)F)cn1	ZINC000409102718	570724671	/nfs/dbraw/zinc/72/46/71/570724671.db2.gz	ZLCVJMSRJKOHDY-BHGWPJFGSA-N	0	0	366.362	4.676	40	30		FJEBRN
C=CCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(C)cc1	ZINC000409118924	570727714	/nfs/dbraw/zinc/72/77/14/570727714.db2.gz	RJAXGSQBCQVGRZ-UHFFFAOYSA-N	0	0	356.516	4.905	40	30		FJEBRN
C=CCOc1ccc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC	ZINC000409119553	570727756	/nfs/dbraw/zinc/72/77/56/570727756.db2.gz	WXZLWHARIUYOMH-UYRXBGFRSA-N	0	0	363.457	4.803	40	30		FJEBRN
O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1Cl)c1ccccc1	ZINC000409207924	570739454	/nfs/dbraw/zinc/73/94/54/570739454.db2.gz	CRDAZJIDXVGTTA-KGENOOAVSA-N	0	0	371.845	4.858	40	30		FJEBRN
Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1C	ZINC000409213414	570741464	/nfs/dbraw/zinc/74/14/64/570741464.db2.gz	UPKLOOBQPNIXKK-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc([N+](=O)[O-])cc1C	ZINC000409239274	570743491	/nfs/dbraw/zinc/74/34/91/570743491.db2.gz	MKKHGIGVOHSMDB-KGENOOAVSA-N	0	0	353.422	4.653	40	30		FJEBRN
CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	ZINC000409230531	570743920	/nfs/dbraw/zinc/74/39/20/570743920.db2.gz	FDAUQYSJCIIYFT-CSUZIONRSA-N	0	0	352.478	4.796	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	ZINC000409332695	570750788	/nfs/dbraw/zinc/75/07/88/570750788.db2.gz	QZSVTCOMIRMRPA-GHRIWEEISA-N	0	0	353.468	4.657	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1	ZINC000409338087	570751717	/nfs/dbraw/zinc/75/17/17/570751717.db2.gz	CXHMEROQRXOSRM-QGOAFFKASA-N	0	0	367.495	4.966	40	30		FJEBRN
C#CCOc1c(Cl)cc(/C=C2\Cc3ccccc3C2=O)cc1OCC	ZINC000409367602	570753747	/nfs/dbraw/zinc/75/37/47/570753747.db2.gz	BLAUWBBPPBGALU-MHWRWJLKSA-N	0	0	352.817	4.573	40	30		FJEBRN
N#Cc1c(/N=C/c2ccc(O)c(O)c2)oc(-c2ccco2)c1-c1ccco1	ZINC000409383012	570754452	/nfs/dbraw/zinc/75/44/52/570754452.db2.gz	SRVDJNZWBQQQSO-SSDVNMTOSA-N	0	0	360.325	4.833	40	30		FJEBRN
NC(=O)Cn1cc(/C=N/c2ccc(-c3ccccc3)cc2)c2ccccc21	ZINC000409385071	570755179	/nfs/dbraw/zinc/75/51/79/570755179.db2.gz	IQTAPVIFLKEBQI-AFUMVMLFSA-N	0	0	353.425	4.544	40	30		FJEBRN
C/C(C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)=C\c1ccco1	ZINC000409402130	570757164	/nfs/dbraw/zinc/75/71/64/570757164.db2.gz	CZARHXRDDRNURZ-GHFXUULHSA-N	0	0	355.397	4.594	40	30		FJEBRN
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)cc1	ZINC000100212187	570759879	/nfs/dbraw/zinc/75/98/79/570759879.db2.gz	SBTMDYYULOWIFC-LFVJCYFKSA-N	0	0	360.457	4.890	40	30		FJEBRN
O=C(OCc1ccccc1)C(Cl)=NNc1ccc(Cl)c(Cl)c1	ZINC000100505751	570761710	/nfs/dbraw/zinc/76/17/10/570761710.db2.gz	BTKJBVXJRGUKOF-XSFVSMFZSA-N	0	0	357.624	4.701	40	30		FJEBRN
C=CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1	ZINC000008554742	570795889	/nfs/dbraw/zinc/79/58/89/570795889.db2.gz	DZFUTOBFHOCJQA-UHFFFAOYSA-N	0	0	352.217	4.576	40	30		FJEBRN
O=[N+]([O-])c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1	ZINC000010118792	570813532	/nfs/dbraw/zinc/81/35/32/570813532.db2.gz	GAHDIWPOJGDFJM-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1C1CCCCC1	ZINC000225895021	570850488	/nfs/dbraw/zinc/85/04/88/570850488.db2.gz	JBQONSJTDYZBDO-UHFFFAOYSA-N	0	0	358.898	4.924	40	30		FJEBRN
C=CCOc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1	ZINC000014783728	570858108	/nfs/dbraw/zinc/85/81/08/570858108.db2.gz	GTRDYLXAZXSACC-UHFFFAOYSA-N	0	0	352.217	4.576	40	30		FJEBRN
COc1ccc(NN=C(c2noc(-c3ccccc3)n2)c2ccccc2)cc1	ZINC000016940604	570863309	/nfs/dbraw/zinc/86/33/09/570863309.db2.gz	WTAMAFUULWNDDK-LKUDQCMESA-N	0	0	370.412	4.610	40	30		FJEBRN
COc1ccc(/C=C/C(C)=N\NC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000017143085	570869421	/nfs/dbraw/zinc/86/94/21/570869421.db2.gz	KQMTYAWBTIHDOH-PVXXHHJBSA-N	0	0	359.882	4.724	40	30		FJEBRN
C/C(=N/CCCC/N=C(/C)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000017140832	570869455	/nfs/dbraw/zinc/86/94/55/570869455.db2.gz	JKCRBGNKFQPQJE-BOYKQRMESA-N	0	0	352.478	4.813	40	30		FJEBRN
Oc1ccc(Br)cc1C=NNc1ccccc1C(F)(F)F	ZINC000004934047	570920630	/nfs/dbraw/zinc/92/06/30/570920630.db2.gz	CEDTZMBRPRQDHP-UFWORHAWSA-N	0	0	359.145	4.620	40	30		FJEBRN
C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1	ZINC000039857520	571024638	/nfs/dbraw/zinc/02/46/38/571024638.db2.gz	INBSHWLPKJKVNJ-AQTBWJFISA-N	0	0	367.426	4.501	40	30		FJEBRN
C[C@@H]1CCc2c(sc3ncnc(N=NCc4ccc(Cl)cc4)c23)C1	ZINC000031851593	571056138	/nfs/dbraw/zinc/05/61/38/571056138.db2.gz	SWYIRPDKBLMFEC-UBENZQOVSA-N	0	0	356.882	4.916	40	30		FJEBRN
Oc1c(/C=N/c2ccc(I)cc2)ccc2ccccc12	ZINC000032101589	571056737	/nfs/dbraw/zinc/05/67/37/571056737.db2.gz	ADXBIGOSCFZVRF-YBFXNURJSA-N	0	0	373.193	4.901	40	30		FJEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3OC)nc1-2	ZINC000032116967	571056750	/nfs/dbraw/zinc/05/67/50/571056750.db2.gz	ABNIVGTUDCDSTB-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1	ZINC000033528508	571084831	/nfs/dbraw/zinc/08/48/31/571084831.db2.gz	JKTGQXNMSSHRRX-UHFFFAOYSA-N	0	0	364.246	4.940	40	30		FJEBRN
CC(=O)c1cccc(N=Cc2cc(Br)c(N3CCCC3)o2)c1	ZINC000059248710	571088556	/nfs/dbraw/zinc/08/85/56/571088556.db2.gz	FHTHQCJBUYTEHO-YBFXNURJSA-N	0	0	361.239	4.596	40	30		FJEBRN
CCOC(=O)c1ccc(-n2c(C)cc(C=NNc3ccccc3)c2C)cc1	ZINC000059427379	571090632	/nfs/dbraw/zinc/09/06/32/571090632.db2.gz	ITAKAPHSYGJYOH-HZHRSRAPSA-N	0	0	361.445	4.717	40	30		FJEBRN
C=CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1	ZINC000059488288	571091182	/nfs/dbraw/zinc/09/11/82/571091182.db2.gz	OMGPZOYISSYUHH-LICLKQGHSA-N	0	0	374.223	4.903	40	30		FJEBRN
CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(OC)ccc1O	ZINC000059475455	571091212	/nfs/dbraw/zinc/09/12/12/571091212.db2.gz	AGCRTRXWXCWNNP-SSDVNMTOSA-N	0	0	353.340	4.959	40	30		FJEBRN
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cccc(Cl)c2)C1=O	ZINC000059516271	571091744	/nfs/dbraw/zinc/09/17/44/571091744.db2.gz	MZPKFSXKNCGQKY-LDADJPATSA-N	0	0	367.832	4.526	40	30		FJEBRN
CCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000043562168	571100522	/nfs/dbraw/zinc/10/05/22/571100522.db2.gz	QBHFVMDLPTZDOI-UHFFFAOYSA-O	0	0	352.476	4.747	40	30	in-vitro	FJEBRN
C=CCOc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1	ZINC000013682912	571120063	/nfs/dbraw/zinc/12/00/63/571120063.db2.gz	GOUGDFYOXGYZAW-UHFFFAOYSA-N	0	0	372.273	4.500	40	30		FJEBRN
C#CCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O	ZINC000032115624	571151351	/nfs/dbraw/zinc/15/13/51/571151351.db2.gz	GOJIDJFCCPSXKA-FOWTUZBSSA-N	0	0	371.502	4.657	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1	ZINC000219788556	571174930	/nfs/dbraw/zinc/17/49/30/571174930.db2.gz	RMOYPEJWRKKSHX-UHFFFAOYSA-N	0	0	367.489	4.791	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1	ZINC000219792223	571174942	/nfs/dbraw/zinc/17/49/42/571174942.db2.gz	LFEKGLVCCMTECF-HXUWFJFHSA-N	0	0	365.473	4.982	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCCC	ZINC000219807488	571175209	/nfs/dbraw/zinc/17/52/09/571175209.db2.gz	APLJMRHVTZIONG-UHFFFAOYSA-N	0	0	368.502	4.747	40	30		FJEBRN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)[nH]c1=S	ZINC000035569208	571182232	/nfs/dbraw/zinc/18/22/32/571182232.db2.gz	VJUGDKHQJYARMO-UHFFFAOYSA-N	0	0	359.170	4.690	40	30		FJEBRN
CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2cccnc2)S1	ZINC000026896835	571202874	/nfs/dbraw/zinc/20/28/74/571202874.db2.gz	QVPDIVHANCZOPE-INIZCTEOSA-N	0	0	355.484	4.676	40	30		FJEBRN
C=CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1	ZINC000008041638	571300084	/nfs/dbraw/zinc/30/00/84/571300084.db2.gz	AKQRTSRRESJRFZ-UHFFFAOYSA-N	0	0	361.894	4.568	40	30		FJEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000008183029	571300709	/nfs/dbraw/zinc/30/07/09/571300709.db2.gz	FKIQIUOJYXWLHV-QGMBQPNBSA-N	0	0	367.261	4.578	40	30		FJEBRN
C=CCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1	ZINC000008496430	571301894	/nfs/dbraw/zinc/30/18/94/571301894.db2.gz	KWBWYOLXXJGUAC-UHFFFAOYSA-N	0	0	366.642	4.920	40	30		FJEBRN
CCCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC	ZINC000008811861	571302142	/nfs/dbraw/zinc/30/21/42/571302142.db2.gz	MTOMXKCUMLRANY-SRZZPIQSSA-N	0	0	367.276	4.915	40	30		FJEBRN
COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1	ZINC000010118807	571302793	/nfs/dbraw/zinc/30/27/93/571302793.db2.gz	YFYORCKTURIQBQ-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OCC	ZINC000034746771	571306194	/nfs/dbraw/zinc/30/61/94/571306194.db2.gz	BGGBAYGUGMQXEH-SREVYHEPSA-N	0	0	364.785	4.679	40	30		FJEBRN
COC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)c1	ZINC000007939549	571310400	/nfs/dbraw/zinc/31/04/00/571310400.db2.gz	UKTAASRPURHNMP-ZRDIBKRKSA-N	0	0	362.381	4.638	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1	ZINC000008362894	571310460	/nfs/dbraw/zinc/31/04/60/571310460.db2.gz	BWDHGWBVRRUAKU-BIXZQSIESA-N	0	0	352.459	4.628	40	30		FJEBRN
CCOc1cc(/C=N/O)c(Br)cc1OCc1ccc(C)cc1	ZINC000033703333	571310648	/nfs/dbraw/zinc/31/06/48/571310648.db2.gz	YSEQVIVLQJNUBT-VXLYETTFSA-N	0	0	364.239	4.543	40	30		FJEBRN
COC(=O)c1ccc(C)c(/N=C/c2cc(F)c(N3CCCC3)cc2C)c1	ZINC000107681477	571310872	/nfs/dbraw/zinc/31/08/72/571310872.db2.gz	SFIGCCCDZNASJJ-YDZHTSKRSA-N	0	0	354.425	4.580	40	30		FJEBRN
COc1cc(C#N)cc(Cl)c1OCc1cccc(Br)c1	ZINC000060512701	571319266	/nfs/dbraw/zinc/31/92/66/571319266.db2.gz	PHYAJTWERWSWGQ-UHFFFAOYSA-N	0	0	352.615	4.562	40	30		FJEBRN
N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000408760944	571319397	/nfs/dbraw/zinc/31/93/97/571319397.db2.gz	BDOVBNXOFMWECM-RYRKJORJSA-N	0	0	351.793	4.946	40	30		FJEBRN
Cc1cccc(COc2ccc(-c3c(C#N)c(N)nc4c3CCCC4)cc2)c1	ZINC000408978977	571319465	/nfs/dbraw/zinc/31/94/65/571319465.db2.gz	KQHNDELUDCZITE-UHFFFAOYSA-N	0	0	369.468	4.799	40	30		FJEBRN
N#Cc1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1	ZINC000020195576	571328551	/nfs/dbraw/zinc/32/85/51/571328551.db2.gz	GWBVAQUPWJRPQZ-UHFFFAOYSA-N	0	0	361.257	4.942	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1	ZINC000225683701	571337808	/nfs/dbraw/zinc/33/78/08/571337808.db2.gz	HHOMSYJVFNQEKH-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC(C)CC1	ZINC000225835000	571338558	/nfs/dbraw/zinc/33/85/58/571338558.db2.gz	DWUAPVNYPGZLQK-UHFFFAOYSA-N	0	0	358.482	4.517	40	30		FJEBRN
N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccccc1Cl	ZINC000225854248	571338720	/nfs/dbraw/zinc/33/87/20/571338720.db2.gz	PTENYBUNHVKJTE-UHFFFAOYSA-N	0	0	356.256	4.888	40	30		FJEBRN
N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1	ZINC000225854525	571338726	/nfs/dbraw/zinc/33/87/26/571338726.db2.gz	ZZLFVGYBXJTGLT-UHFFFAOYSA-N	0	0	356.256	4.888	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1	ZINC000225851782	571338763	/nfs/dbraw/zinc/33/87/63/571338763.db2.gz	LPEUTDQOALDFGK-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccc(OCCn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)cc1	ZINC000225861728	571338873	/nfs/dbraw/zinc/33/88/73/571338873.db2.gz	UACDRLAOQHJUKL-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)c1	ZINC000219791123	210175181	/nfs/dbraw/zinc/17/51/81/210175181.db2.gz	VDVUFQOKQQHAHS-UHFFFAOYSA-N	0	0	373.836	4.724	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000219642734	210174542	/nfs/dbraw/zinc/17/45/42/210174542.db2.gz	TWLACZHDHCOSNW-LJQANCHMSA-N	0	0	351.446	4.592	40	30		FJEBRN
C=CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000219814324	210173938	/nfs/dbraw/zinc/17/39/38/210173938.db2.gz	XGUBAZZVIQMAJY-KRWDZBQOSA-N	0	0	353.487	4.997	40	30		FJEBRN
C=C(Br)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21	ZINC000001452857	210148982	/nfs/dbraw/zinc/14/89/82/210148982.db2.gz	CSWGUOONTWKSNP-UHFFFAOYSA-N	0	0	357.251	4.544	40	30		FJEBRN
O=[N+]([O-])c1ccc(SC#CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	ZINC000011114579	210140080	/nfs/dbraw/zinc/14/00/80/210140080.db2.gz	SWWSEEHODOSESG-UHFFFAOYSA-N	0	0	358.419	4.772	40	30		FJEBRN
CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1nc(-c3ccc(O)c(O)c3)cs1)C2	ZINC000005705975	210084408	/nfs/dbraw/zinc/08/44/08/210084408.db2.gz	KCSUPFVUZDVRDD-AHGZLGTFSA-N	0	0	357.479	4.835	40	30		FJEBRN
COc1cccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1	ZINC000001354327	219397982	/nfs/dbraw/zinc/39/79/82/219397982.db2.gz	LFUBATHMLXDOEM-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C#N)c1	ZINC000225833116	222873704	/nfs/dbraw/zinc/87/37/04/222873704.db2.gz	RAGUOKGYJPPTLW-HRAATJIYSA-N	0	0	358.482	4.661	40	30		FJEBRN
N#Cc1cc(N)c(N2CCCCCC2)n1Cc1ccc(Cl)cc1Cl	ZINC000225872680	222877564	/nfs/dbraw/zinc/87/75/64/222877564.db2.gz	AOYWMLVZYLYBOJ-UHFFFAOYSA-N	0	0	363.292	4.677	40	30		FJEBRN
CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC	ZINC000004832386	219611317	/nfs/dbraw/zinc/61/13/17/219611317.db2.gz	CYOZVBIZJQSWPJ-VMPITWQZSA-N	0	0	368.429	4.541	40	30		FJEBRN
COC(=O)c1ccc(-n2ccc(/C=N/c3cccc4cccnc43)c2)cc1	ZINC000006950472	203814868	/nfs/dbraw/zinc/81/48/68/203814868.db2.gz	HCUMYHOXXLONPY-ZVHZXABRSA-N	0	0	355.397	4.563	40	30		FJEBRN
C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccc(NC(C)=O)cc1	ZINC000001454955	203859274	/nfs/dbraw/zinc/85/92/74/203859274.db2.gz	KHSHDCIOICZSAA-LNVKXUELSA-N	0	0	363.486	4.902	40	30		FJEBRN
COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)cc1	ZINC000001103455	203983234	/nfs/dbraw/zinc/98/32/34/203983234.db2.gz	SNYIOTXJWRQZMV-UHFFFAOYSA-N	0	0	350.805	4.958	40	30		FJEBRN
Cc1ccc(/C=N\n2c(=O)c3ccccc3nc2-c2ccccc2Cl)cc1	ZINC000001575302	204011994	/nfs/dbraw/zinc/01/19/94/204011994.db2.gz	SJMNTQKOGGRCLI-OYKKKHCWSA-N	0	0	373.843	4.908	40	30		FJEBRN
CCC(C(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000003124620	204079077	/nfs/dbraw/zinc/07/90/77/204079077.db2.gz	GYBHDIAEVOSJSP-UHFFFAOYSA-N	0	0	351.649	4.939	40	30		FJEBRN
CC(=O)Nc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl	ZINC000003148595	204080010	/nfs/dbraw/zinc/08/00/10/204080010.db2.gz	KODTYBZGYYKPJJ-QGMBQPNBSA-N	0	0	352.177	4.611	40	30		FJEBRN
O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccccc1F	ZINC000005376933	204205583	/nfs/dbraw/zinc/20/55/83/204205583.db2.gz	KVVNTHFUSCJBDW-ZSOIEALJSA-N	0	0	366.339	4.736	40	30		FJEBRN
CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O	ZINC000005641321	204219869	/nfs/dbraw/zinc/21/98/69/204219869.db2.gz	FCPOGDZEICKPOF-NKKJXINNSA-N	0	0	364.485	4.600	40	30		FJEBRN
CN(C)c1ccc(/C=N\c2cc(N)cc(-c3nc4ccccc4o3)c2)cc1	ZINC000005334100	204202801	/nfs/dbraw/zinc/20/28/01/204202801.db2.gz	XKCKSWQJFHIHRR-OYKKKHCWSA-N	0	0	356.429	4.894	40	30		FJEBRN
CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(O)cc1	ZINC000005978382	204233239	/nfs/dbraw/zinc/23/32/39/204233239.db2.gz	ASSPJNMMDULRIC-PGNDWZGLSA-N	0	0	373.836	4.760	40	30		FJEBRN
COc1ccc(/N=C/c2cc(Cl)cc(OC)c2O)cc1Br	ZINC000006736681	204264644	/nfs/dbraw/zinc/26/46/44/204264644.db2.gz	CZBQGORHRCDHQP-QGMBQPNBSA-N	0	0	370.630	4.576	40	30		FJEBRN
COc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1Br	ZINC000006825453	204274684	/nfs/dbraw/zinc/27/46/84/204274684.db2.gz	MTQUIHHTKPHZEE-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1	ZINC000008410925	204331010	/nfs/dbraw/zinc/33/10/10/204331010.db2.gz	XNCKBILPPFGVMT-UYRXBGFRSA-N	0	0	364.470	4.760	40	30		FJEBRN
COc1cccc(/C=C/c2nc(C#N)c(NCc3ccccc3Cl)o2)c1	ZINC000008494564	204331830	/nfs/dbraw/zinc/33/18/30/204331830.db2.gz	JXANASXZVLOWLU-MDZDMXLPSA-N	0	0	365.820	4.991	40	30		FJEBRN
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1	ZINC000012032547	204426682	/nfs/dbraw/zinc/42/66/82/204426682.db2.gz	QQVHEJVQWXEUQX-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2ccccc2O)S1	ZINC000032597729	204931886	/nfs/dbraw/zinc/93/18/86/204931886.db2.gz	HULJEXIKNPNNTM-ZSOIEALJSA-N	0	0	364.348	4.939	40	30		FJEBRN
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C#N)O1	ZINC000072330319	205031061	/nfs/dbraw/zinc/03/10/61/205031061.db2.gz	JQXOTYALWMLXAU-FCFLTHKLSA-N	0	0	369.505	4.542	40	30		FJEBRN
CCCCCCCCOc1ccc(C(=O)O[C@@H]2C(=O)OCC2(C)C)cc1	ZINC000059608645	205281827	/nfs/dbraw/zinc/28/18/27/205281827.db2.gz	BGLWOTFHYXURLQ-GOSISDBHSA-N	0	0	362.466	4.534	40	30		FJEBRN
N#Cc1cccc(N/C=C(\O)c2cc3c(ccc4ccccc43)oc2=O)c1	ZINC000101174643	205953862	/nfs/dbraw/zinc/95/38/62/205953862.db2.gz	NUUQEXHZIPIDST-MOSHPQCFSA-N	0	0	354.365	4.786	40	30		FJEBRN
C[C@@H](C(=NNc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21	ZINC000104295170	206000199	/nfs/dbraw/zinc/00/01/99/206000199.db2.gz	QFIOQZMUCYTKEW-HRIVCEAYSA-N	0	0	372.424	4.547	40	30		FJEBRN
CC/C(=N\CC/N=C(\CC)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000104234030	206000273	/nfs/dbraw/zinc/00/02/73/206000273.db2.gz	IEEGTJOOPSZWJO-BLVCXSLXSA-N	0	0	352.478	4.813	40	30		FJEBRN
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000118923387	206103593	/nfs/dbraw/zinc/10/35/93/206103593.db2.gz	DKDMFHJMQAAUII-RMCJSFOLSA-N	0	0	362.485	4.788	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000225873832	206120482	/nfs/dbraw/zinc/12/04/82/206120482.db2.gz	VQIFXHFRCIZTOA-UHFFFAOYSA-N	0	0	353.472	4.736	40	30		FJEBRN
C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000002573708	206135085	/nfs/dbraw/zinc/13/50/85/206135085.db2.gz	JWLZILSXRBYLTR-IFKAHUTRSA-N	0	0	367.492	4.881	40	30		FJEBRN
CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000005444122	206193997	/nfs/dbraw/zinc/19/39/97/206193997.db2.gz	WOCWNBLCPAYTAF-GOSISDBHSA-N	0	0	369.848	4.574	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1	ZINC000004849146	206181007	/nfs/dbraw/zinc/18/10/07/206181007.db2.gz	BKJWJNITLVKMDK-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1cccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1	ZINC000008277644	206245872	/nfs/dbraw/zinc/24/58/72/206245872.db2.gz	IZZXBCRUNIXKOU-MHWRWJLKSA-N	0	0	358.850	4.549	40	30		FJEBRN
N#Cc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N/c2ccccc2)cc1	ZINC000102925286	206231713	/nfs/dbraw/zinc/23/17/13/206231713.db2.gz	MDNMXHJYODJVRY-LGLHSBMDSA-N	0	0	370.437	4.796	40	30		FJEBRN
CCc1ccc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1	ZINC000005985156	206240391	/nfs/dbraw/zinc/24/03/91/206240391.db2.gz	JGFSVSNPOIWYFE-UNOMPAQXSA-N	0	0	361.470	4.632	40	30		FJEBRN
N#Cc1cc(Br)cc(Br)c1OCc1ccccc1	ZINC000006223251	206241811	/nfs/dbraw/zinc/24/18/11/206241811.db2.gz	JQQLSCITYFGAHL-UHFFFAOYSA-N	0	0	367.040	4.662	40	30		FJEBRN
CC[C@@H](C)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000169795803	206268722	/nfs/dbraw/zinc/26/87/22/206268722.db2.gz	RIFWRTXGEWCLSR-ZCFIWIBFSA-N	0	0	364.204	4.796	40	30		FJEBRN
C[C@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@@H](C)N1Cc1ccccc1	ZINC000016790340	206320308	/nfs/dbraw/zinc/32/03/08/206320308.db2.gz	QAGILMRZNWONPW-ROUUACIJSA-N	0	0	352.522	4.879	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1Cl	ZINC000020357401	206330122	/nfs/dbraw/zinc/33/01/22/206330122.db2.gz	SWMFZJWDJWMLRX-MHWRWJLKSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCN(CC)c1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000013639985	206304909	/nfs/dbraw/zinc/30/49/09/206304909.db2.gz	URLHBHOHIWKGAE-QFIPXVFZSA-N	0	0	374.488	4.760	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1	ZINC000225833233	206502719	/nfs/dbraw/zinc/50/27/19/206502719.db2.gz	YCOZRJIXAJZZCC-WHSLLNHNSA-N	0	0	358.482	4.659	40	30		FJEBRN
C(=N/c1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000017326631	211184852	/nfs/dbraw/zinc/18/48/52/211184852.db2.gz	AIYDZRXBGAPSRJ-MQHZAWOVSA-N	0	0	354.453	4.839	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C\C=C(/N=C(C#N)C#N)c1ccccc1	ZINC000017108589	211179871	/nfs/dbraw/zinc/17/98/71/211179871.db2.gz	FMSWLENMEXUPAV-ZFPLGESLSA-N	0	0	352.441	4.827	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C\c1ccccc1Cl	ZINC000017024360	211176058	/nfs/dbraw/zinc/17/60/58/211176058.db2.gz	USMGBUYIRJSYPG-UCQKPKSFSA-N	0	0	359.816	4.599	40	30		FJEBRN
O=C(Nc1cccc(/N=C/c2ccc([N+](=O)[O-])o2)c1)c1ccccc1Cl	ZINC000016449351	211161270	/nfs/dbraw/zinc/16/12/70/211161270.db2.gz	BNZJNCCPLQQSBA-RGVLZGJSSA-N	0	0	369.764	4.844	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl	ZINC000016346873	211158594	/nfs/dbraw/zinc/15/85/94/211158594.db2.gz	LFKJFINCCZBSDG-FBHDLOMBSA-N	0	0	351.793	4.829	40	30		FJEBRN
Clc1cccc(Cl)c1CN/N=C/c1ccc(Br)cc1	ZINC000009195755	210819048	/nfs/dbraw/zinc/81/90/48/210819048.db2.gz	KZJBWLRKHGRIMD-QGMBQPNBSA-N	0	0	358.066	4.880	40	30		FJEBRN
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C#N)CCC[C@@]21C	ZINC000006761478	210698080	/nfs/dbraw/zinc/69/80/80/210698080.db2.gz	BELCZLRITOCYFD-HJNYFJLDSA-N	0	0	353.462	4.659	40	30		FJEBRN
Cc1ccc(S(=O)(=O)O[C@H]2CCCCCCCCCCC2=O)cc1	ZINC000002032024	210375965	/nfs/dbraw/zinc/37/59/65/210375965.db2.gz	WKROSNASDKHTEZ-IBGZPJMESA-N	0	0	352.496	4.553	40	30		FJEBRN
O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1c[nH]c2ccccc12	ZINC000001857467	210372497	/nfs/dbraw/zinc/37/24/97/210372497.db2.gz	YALXONUQCWRJKI-CXUHLZMHSA-N	0	0	353.834	4.713	40	30		FJEBRN
Cc1ccc(N=C2c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)cc1	ZINC000001602538	210362141	/nfs/dbraw/zinc/36/21/41/210362141.db2.gz	UBRSQNQFVKREFU-UHFFFAOYSA-N	0	0	359.341	4.961	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCCN1CCCc2ccccc21	ZINC000219820400	132374535	/nfs/dbraw/zinc/37/45/35/132374535.db2.gz	CPUDYQCTRYJUKL-UHFFFAOYSA-N	0	0	366.530	4.537	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000100070256	222234315	/nfs/dbraw/zinc/23/43/15/222234315.db2.gz	CKVVFMDNTZUDES-ZVHZXABRSA-N	0	0	355.441	4.916	40	30		FJEBRN
CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@@H](O)CO	ZINC000100503506	222245704	/nfs/dbraw/zinc/24/57/04/222245704.db2.gz	LKEJFIOAQPYKFQ-GDCKJWNLSA-N	0	0	356.547	4.920	40	30		FJEBRN
CC/N=c1/scc(-c2ccco2)n1/N=C/c1cccc(C(F)(F)F)c1	ZINC000102925109	222313086	/nfs/dbraw/zinc/31/30/86/222313086.db2.gz	UIJHGTWEXWASSE-RYZRSQFGSA-N	0	0	365.380	4.631	40	30		FJEBRN
COc1ccc(NC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1	ZINC000104223460	222352178	/nfs/dbraw/zinc/35/21/78/222352178.db2.gz	URCSFONMRRNPNI-DARPEHSRSA-N	0	0	355.393	4.511	40	30		FJEBRN
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000009142113	263359783	/nfs/dbraw/zinc/35/97/83/263359783.db2.gz	ISHXXAPRURSMPT-UHFFFAOYSA-N	0	0	360.866	4.558	40	30		FJEBRN
O=c1oc2ccccc2cc1-c1csc(N=NC[C@@H]2CC=CCC2)n1	ZINC000009330808	263361202	/nfs/dbraw/zinc/36/12/02/263361202.db2.gz	UGHGKIWJIWQYMO-RBFBNPFJSA-N	0	0	351.431	4.671	40	30		FJEBRN
C#CCOc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1	ZINC000019240245	263374601	/nfs/dbraw/zinc/37/46/01/263374601.db2.gz	MVZZMWRQCNATJH-IBGZPJMESA-N	0	0	368.527	4.599	40	30		FJEBRN
COc1ccc(C=NNc2nc3ccccc3s2)cc1Br	ZINC000028617758	263390301	/nfs/dbraw/zinc/39/03/01/263390301.db2.gz	QIMMDJIDQUQKOY-MFOYZWKCSA-N	0	0	362.252	4.513	40	30		FJEBRN
Cc1sc(N=NCc2ccc(Br)cc2)nc1-c1ccccc1	ZINC000059193787	263417755	/nfs/dbraw/zinc/41/77/55/263417755.db2.gz	FHTZZIZLQXOJJU-YBFXNURJSA-N	0	0	372.291	4.749	40	30		FJEBRN
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118931308	263453691	/nfs/dbraw/zinc/45/36/91/263453691.db2.gz	OXHFKWFVXTYEGN-ZYHFYXLJSA-N	0	0	374.565	4.514	40	30		FJEBRN
C=C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927796	263453742	/nfs/dbraw/zinc/45/37/42/263453742.db2.gz	WHUVCKHSKYGQND-HPTKSSEUSA-N	0	0	358.522	4.798	40	30		FJEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3OC)sc1CC2	ZINC000408722102	263489968	/nfs/dbraw/zinc/48/99/68/263489968.db2.gz	DQQWOZLANPWKIC-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
O=C1c2ccccc2S/C1=C/c1cccc(I)c1	ZINC000408719391	263490339	/nfs/dbraw/zinc/49/03/39/263490339.db2.gz	DFAZWXNLUHUMEL-NTEUORMPSA-N	0	0	364.207	4.621	40	30		FJEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)C)cc1	ZINC000408789847	263496495	/nfs/dbraw/zinc/49/64/95/263496495.db2.gz	RZKGPAOLKRDADX-FQEVSTJZSA-N	0	0	373.452	4.551	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000409064142	263521720	/nfs/dbraw/zinc/52/17/20/263521720.db2.gz	BUAUKNAZYNQFME-DEDYPNTBSA-N	0	0	374.465	4.912	40	30		FJEBRN
C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1	ZINC000409084697	263523951	/nfs/dbraw/zinc/52/39/51/263523951.db2.gz	XFQBAFCHDGJRBN-GDNBJRDFSA-N	0	0	374.223	4.903	40	30		FJEBRN
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1	ZINC000409109478	263527169	/nfs/dbraw/zinc/52/71/69/263527169.db2.gz	FTLMCSPNVQKQHQ-BKUYFWCQSA-N	0	0	352.393	4.630	40	30		FJEBRN
Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1NC(=O)c1ccccc1	ZINC000409201349	263540589	/nfs/dbraw/zinc/54/05/89/263540589.db2.gz	LRXLSQUYLUWCPZ-UUYOSTAYSA-N	0	0	367.836	4.598	40	30		FJEBRN
CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1	ZINC000409237125	263545604	/nfs/dbraw/zinc/54/56/04/263545604.db2.gz	JFBPWKCWEWNAQZ-XQNSMLJCSA-N	0	0	366.461	4.613	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c1	ZINC000409331195	263549546	/nfs/dbraw/zinc/54/95/46/263549546.db2.gz	MODZWMMHMRDUCN-XDJHFCHBSA-N	0	0	365.454	4.530	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(Cl)c1	ZINC000409401660	263556308	/nfs/dbraw/zinc/55/63/08/263556308.db2.gz	BRCSHOOKVASYCD-UHFFFAOYSA-N	0	0	359.816	4.599	40	30		FJEBRN
C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225043083	518802503	/nfs/dbraw/zinc/80/25/03/518802503.db2.gz	VUHNHCVYJOWEFV-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225054195	518803803	/nfs/dbraw/zinc/80/38/03/518803803.db2.gz	XRLQAFZNXRKZMP-UHFFFAOYSA-N	0	0	367.470	4.538	40	30		FJEBRN
C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1	ZINC000224911082	518803947	/nfs/dbraw/zinc/80/39/47/518803947.db2.gz	AUFARKFUZIGODY-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1	ZINC000224213530	518935432	/nfs/dbraw/zinc/93/54/32/518935432.db2.gz	NJVOGSFFYKHIKM-UHFFFAOYSA-N	0	0	373.452	4.857	40	30		FJEBRN
C=CCOc1ccc(C=C2SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1	ZINC000005852920	519014669	/nfs/dbraw/zinc/01/46/69/519014669.db2.gz	HHXGGVKMVGXVDF-CPNJWEJPSA-N	0	0	364.470	4.951	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1	ZINC000225294184	519041455	/nfs/dbraw/zinc/04/14/55/519041455.db2.gz	XESDDHUGFJXJFZ-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1	ZINC000225791506	519057543	/nfs/dbraw/zinc/05/75/43/519057543.db2.gz	PCKWTGYILUPDIJ-KRWDZBQOSA-N	0	0	370.518	4.622	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)NC1=O	ZINC000008412821	519065729	/nfs/dbraw/zinc/06/57/29/519065729.db2.gz	MZTWKUPEGZXKJH-UYRXBGFRSA-N	0	0	364.470	4.760	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCOc1ccccc1C(C)C	ZINC000223798179	519077532	/nfs/dbraw/zinc/07/75/32/519077532.db2.gz	YWICZUQVYYPYRE-UHFFFAOYSA-N	0	0	355.503	4.897	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC	ZINC000225113288	519077693	/nfs/dbraw/zinc/07/76/93/519077693.db2.gz	DNIXJLZPPMWUGX-UHFFFAOYSA-N	0	0	370.499	4.613	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1OC	ZINC000224126809	519128673	/nfs/dbraw/zinc/12/86/73/519128673.db2.gz	FACIUNMAMQJGFW-UHFFFAOYSA-N	0	0	358.441	4.662	40	30		FJEBRN
COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1OC	ZINC000020195855	524017674	/nfs/dbraw/zinc/01/76/74/524017674.db2.gz	DYXPSSGBWARJPR-YDZHTSKRSA-N	0	0	370.836	4.741	40	30		FJEBRN
COc1ccc(CN/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1OC	ZINC000020196724	524017973	/nfs/dbraw/zinc/01/79/73/524017973.db2.gz	PTLMXYNBGLHQST-BUVRLJJBSA-N	0	0	369.509	4.751	40	30		FJEBRN
COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1	ZINC000004852253	524357063	/nfs/dbraw/zinc/35/70/63/524357063.db2.gz	DDLQBABGCMNSBV-OUKQBFOZSA-N	0	0	363.438	4.905	40	30		FJEBRN
Cc1cccc(NC(=O)/C=C/c2ccc(N(CCC#N)CCC#N)cc2C)c1	ZINC000001626590	524569468	/nfs/dbraw/zinc/56/94/68/524569468.db2.gz	BFYFHXVEXSOEFG-PKNBQFBNSA-N	0	0	372.472	4.589	40	30		FJEBRN
Cc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(C(C)(C)C)cc1	ZINC000003260377	524742827	/nfs/dbraw/zinc/74/28/27/524742827.db2.gz	AENGADFKCKMOQK-WSDLNYQXSA-N	0	0	358.869	4.935	40	30		FJEBRN
Cc1ccc(NN=Cc2ccc(-c3cccc(C(=O)OCC#N)c3)o2)c(C)c1	ZINC000005793515	524914250	/nfs/dbraw/zinc/91/42/50/524914250.db2.gz	QQVYKWAGYNNSSH-ZVHZXABRSA-N	0	0	373.412	4.690	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O	ZINC000208220200	534845681	/nfs/dbraw/zinc/84/56/81/534845681.db2.gz	BXBXHRDZBVRVBK-GPLLRDDGSA-N	0	0	356.491	4.631	40	30		FJEBRN
COc1ccc2oc(=O)c(-c3cnc(N=NC(C)CC(C)C)s3)cc2c1	ZINC000004537161	525684541	/nfs/dbraw/zinc/68/45/41/525684541.db2.gz	IYCWBKLVGNTNSV-MTJSOVHGSA-N	0	0	371.462	4.759	40	30		FJEBRN
Cc1ns/c(=N\C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1	ZINC000017994125	526704934	/nfs/dbraw/zinc/70/49/34/526704934.db2.gz	SCPUGCLDMPNDGZ-SXAUZNKPSA-N	0	0	370.481	4.921	40	30		FJEBRN
N#Cc1cccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1	ZINC000020195586	526711810	/nfs/dbraw/zinc/71/18/10/526711810.db2.gz	GQPOKVUPKXZWTP-UHFFFAOYSA-N	0	0	361.257	4.942	40	30		FJEBRN
O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1cccc(Cl)c1Cl	ZINC000223743114	527087213	/nfs/dbraw/zinc/08/72/13/527087213.db2.gz	AIROILAPOOHKBN-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O	ZINC000408533870	570515225	/nfs/dbraw/zinc/51/52/25/570515225.db2.gz	RDHTXOTZOJBQSC-UYRXBGFRSA-N	0	0	365.454	4.796	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)cc2c1	ZINC000004848915	570534047	/nfs/dbraw/zinc/53/40/47/570534047.db2.gz	PJGMBQVYWHURNA-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225841059	570546716	/nfs/dbraw/zinc/54/67/16/570546716.db2.gz	YYDWMWPYMMHJAN-OAQYLSRUSA-N	0	0	360.498	4.763	40	30		FJEBRN
C=CCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1	ZINC000408559545	570554262	/nfs/dbraw/zinc/55/42/62/570554262.db2.gz	VVBJOXPYPXOUHC-UHFFFAOYSA-N	0	0	363.211	4.534	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1C	ZINC000408561066	570555281	/nfs/dbraw/zinc/55/52/81/570555281.db2.gz	XQLJXMXRHZZGJC-UHFFFAOYSA-N	0	0	374.554	4.676	40	30		FJEBRN
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1Cc1ccccc1	ZINC000408593054	570573579	/nfs/dbraw/zinc/57/35/79/570573579.db2.gz	OOHXSCJRANADND-LPYMAVHISA-N	0	0	363.417	4.612	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2F)cc1	ZINC000408593055	570573592	/nfs/dbraw/zinc/57/35/92/570573592.db2.gz	OOHZMFKANSETHQ-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
CC[C@@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408593345	570575118	/nfs/dbraw/zinc/57/51/18/570575118.db2.gz	PILLANHITZUZCH-AYPRBGQRSA-N	0	0	362.813	4.976	40	30		FJEBRN
COc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1	ZINC000408595493	570575880	/nfs/dbraw/zinc/57/58/80/570575880.db2.gz	XDURZKOTVWZWIY-ZVHZXABRSA-N	0	0	359.429	4.525	40	30		FJEBRN
CCCOc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1	ZINC000408601921	570579396	/nfs/dbraw/zinc/57/93/96/570579396.db2.gz	MDNPHYHEYOHAKA-XKZIYDEJSA-N	0	0	351.475	4.857	40	30		FJEBRN
CCOc1ccc(/N=C/c2cc(OC)c(OC)cc2Br)cc1	ZINC000006962322	570580309	/nfs/dbraw/zinc/58/03/09/570580309.db2.gz	WSLWUWUHDQQKOC-YBFXNURJSA-N	0	0	364.239	4.616	40	30		FJEBRN
C#CCn1cc(CNc2ccc(Br)cc2C)c2ccccc21	ZINC000408612450	570581750	/nfs/dbraw/zinc/58/17/50/570581750.db2.gz	WCHBGVDWDKSGAU-UHFFFAOYSA-N	0	0	353.263	4.958	40	30		FJEBRN
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1c[nH]c2ccccc12	ZINC000005376628	570625483	/nfs/dbraw/zinc/62/54/83/570625483.db2.gz	KCJYCCIAWDSLOR-FRKPEAEDSA-N	0	0	371.824	4.852	40	30		FJEBRN
COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(OC)cc2)o1	ZINC000408669919	570631201	/nfs/dbraw/zinc/63/12/01/570631201.db2.gz	XLOZCMWJJZFHBA-ACCUITESSA-N	0	0	362.381	4.638	40	30		FJEBRN
CN(/N=C1/C=C(c2ccc(-c3ccccc3)cc2)OC1=O)c1ccccc1	ZINC000005913492	570638337	/nfs/dbraw/zinc/63/83/37/570638337.db2.gz	AYXDAHVDCANLJM-FLFQWRMESA-N	0	0	354.409	4.744	40	30		FJEBRN
C[C@H]1C/C(=N/N=C2\SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1	ZINC000006183625	570642654	/nfs/dbraw/zinc/64/26/54/570642654.db2.gz	ILUUFJCKAFIIBX-VMLBSSNPSA-N	0	0	363.914	4.978	40	30		FJEBRN
Cc1nc(C(=O)Nc2cccc3nsnc32)cc2c3ccccc3[nH]c21	ZINC000006280233	570644962	/nfs/dbraw/zinc/64/49/62/570644962.db2.gz	DKVCMEWZSKXIKY-UHFFFAOYSA-N	0	0	359.414	4.666	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1CC	ZINC000408692674	570650177	/nfs/dbraw/zinc/65/01/77/570650177.db2.gz	RYSPIWNXKJICIX-LFVJCYFKSA-N	0	0	368.440	4.667	40	30		FJEBRN
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2Cl)S1	ZINC000006870652	570655568	/nfs/dbraw/zinc/65/55/68/570655568.db2.gz	ZITNAAPPJVTAPD-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NC[C@H](C)c1ccccc1	ZINC000408708401	570660388	/nfs/dbraw/zinc/66/03/88/570660388.db2.gz	ZEEHWLVVYOAHRN-FQEVSTJZSA-N	0	0	374.569	4.943	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000408710273	570661984	/nfs/dbraw/zinc/66/19/84/570661984.db2.gz	VNFQTOKWZNWMQR-RBUKOAKNSA-N	0	0	352.563	4.718	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C	ZINC000408710272	570662025	/nfs/dbraw/zinc/66/20/25/570662025.db2.gz	VNFQTOKWZNWMQR-OALUTQOASA-N	0	0	352.563	4.718	40	30		FJEBRN
Cc1cn(-c2ccccc2)c(C)c1/C=C1\S/C(=N/c2ccccc2)NC1=O	ZINC000004798177	570669353	/nfs/dbraw/zinc/66/93/53/570669353.db2.gz	AWFYIEAFZVBLHM-MOSHPQCFSA-N	0	0	373.481	4.986	40	30		FJEBRN
CCOc1ccc2cc(C3=CC(=NNc4ccccc4C)C(=O)O3)ccc2c1	ZINC000408725060	570679906	/nfs/dbraw/zinc/67/99/06/570679906.db2.gz	GORRKFMYGGWFNZ-DAFNUICNSA-N	0	0	372.424	4.913	40	30		FJEBRN
CCOc1ccc2cc(C3=CC(=NNc4ccccc4)C(=O)O3)ccc2c1	ZINC000408726820	570680728	/nfs/dbraw/zinc/68/07/28/570680728.db2.gz	VOPURIAFYMBCQS-GFMRDNFCSA-N	0	0	358.397	4.604	40	30		FJEBRN
CCOC(=O)Nc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000008581367	570683466	/nfs/dbraw/zinc/68/34/66/570683466.db2.gz	SLWXJMICFIAYMH-SXGWCWSVSA-N	0	0	366.461	4.997	40	30		FJEBRN
C=CCOc1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408736432	570686145	/nfs/dbraw/zinc/68/61/45/570686145.db2.gz	SMQQJLCKESIYGZ-LQWHRVPQSA-N	0	0	361.441	4.865	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N1CC	ZINC000408783039	570686908	/nfs/dbraw/zinc/68/69/08/570686908.db2.gz	MLIWQOGRERGUFQ-DPBNUBQISA-N	0	0	367.518	4.715	40	30		FJEBRN
CSc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1	ZINC000408750056	570689017	/nfs/dbraw/zinc/68/90/17/570689017.db2.gz	WWRBLSPBDPUEDS-OQLLNIDSSA-N	0	0	360.891	4.954	40	30		FJEBRN
Ic1ccc(/N=C\c2cccn2-c2ccccc2)cc1	ZINC000408849269	570692529	/nfs/dbraw/zinc/69/25/29/570692529.db2.gz	VVCSGUPHDSRQGH-UYRXBGFRSA-N	0	0	372.209	4.833	40	30		FJEBRN
COc1cc(Cl)c(/C=N/NCc2c(Cl)cccc2Cl)cc1OC	ZINC000009196372	570692585	/nfs/dbraw/zinc/69/25/85/570692585.db2.gz	FGSZPUCVNJOMPA-DNTJNYDQSA-N	0	0	373.667	4.788	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(/N=C\c2ccc(N3CCCC3)c(C)c2)c1	ZINC000408857080	570693022	/nfs/dbraw/zinc/69/30/22/570693022.db2.gz	MXAQCDWMLNJFJG-XKZIYDEJSA-N	0	0	356.853	4.786	40	30		FJEBRN
Brc1cc(/C=N/c2ccc3ncccc3c2)oc1N1CCCC1	ZINC000408854037	570693036	/nfs/dbraw/zinc/69/30/36/570693036.db2.gz	WAOGBVABLLFDGH-CIAFOILYSA-N	0	0	370.250	4.941	40	30		FJEBRN
Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1C	ZINC000408861880	570693254	/nfs/dbraw/zinc/69/32/54/570693254.db2.gz	BMZQLQOIRZIALF-WQRHYEAKSA-N	0	0	365.433	4.517	40	30		FJEBRN
CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21	ZINC000408893448	570695915	/nfs/dbraw/zinc/69/59/15/570695915.db2.gz	BUWXNWLGABQPHE-UHFFFAOYSA-N	0	0	361.441	4.789	40	30		FJEBRN
C=CCn1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21	ZINC000408898628	570696601	/nfs/dbraw/zinc/69/66/01/570696601.db2.gz	QMKFEPFHVAMWAD-UHFFFAOYSA-N	0	0	373.452	4.955	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C	ZINC000408904831	570696676	/nfs/dbraw/zinc/69/66/76/570696676.db2.gz	PFEQYSJWHOGHIV-LTGZKZEYSA-N	0	0	366.420	4.658	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1cc(C)ccc1C	ZINC000408910094	570697886	/nfs/dbraw/zinc/69/78/86/570697886.db2.gz	WEJGYKYEEOJUNI-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1c(C)cccc1C	ZINC000408907858	570697948	/nfs/dbraw/zinc/69/79/48/570697948.db2.gz	PLMMOODIVJBLTD-DLTWUOELSA-N	0	0	366.486	4.936	40	30		FJEBRN
N#Cc1ccccc1COc1ccccc1C=C1C(=O)c2ccccc2C1=O	ZINC000408910937	570698416	/nfs/dbraw/zinc/69/84/16/570698416.db2.gz	MCMQNPGTXGUFDK-UHFFFAOYSA-N	0	0	365.388	4.600	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1c(C)cccc1C	ZINC000408911492	570698517	/nfs/dbraw/zinc/69/85/17/570698517.db2.gz	ZNYRUBZVKWCACM-DLTWUOELSA-N	0	0	366.486	4.936	40	30		FJEBRN
COC(=O)c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1C	ZINC000408914271	570698834	/nfs/dbraw/zinc/69/88/34/570698834.db2.gz	XNLDTJKMGGWSQG-UHFFFAOYSA-N	0	0	372.376	4.504	40	30		FJEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1-c1ccccc1	ZINC000408927533	570699873	/nfs/dbraw/zinc/69/98/73/570699873.db2.gz	PXNDFFZKXGXIHZ-FLFQWRMESA-N	0	0	359.425	4.978	40	30		FJEBRN
C/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1C	ZINC000408929610	570700394	/nfs/dbraw/zinc/70/03/94/570700394.db2.gz	LOPAQZQFZACHMD-NNBJUWIKSA-N	0	0	367.257	4.785	40	30		FJEBRN
CC(=O)c1ccc(N=Cc2cc(Br)c(Br)o2)cc1	ZINC000408951072	570701943	/nfs/dbraw/zinc/70/19/43/570701943.db2.gz	HTLSPZOMJANEDX-FRKPEAEDSA-N	0	0	371.028	4.758	40	30		FJEBRN
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(SC)cc3)S2)cc1	ZINC000408954602	570702414	/nfs/dbraw/zinc/70/24/14/570702414.db2.gz	TYZGKFMAQPWGFU-SFQUDFHCSA-N	0	0	370.499	4.699	40	30		FJEBRN
O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000408960632	570703256	/nfs/dbraw/zinc/70/32/56/570703256.db2.gz	NIOWPPXHGGOAMF-CYVLTUHYSA-N	0	0	363.486	4.569	40	30		FJEBRN
Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1C(C)(C)C	ZINC000408968011	570705017	/nfs/dbraw/zinc/70/50/17/570705017.db2.gz	YOKHCCONCXNPIX-GZTJUZNOSA-N	0	0	371.481	4.891	40	30		FJEBRN
Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c2n1C	ZINC000409030877	570714748	/nfs/dbraw/zinc/71/47/48/570714748.db2.gz	FMRPTQHWORYUST-FINSYCMTSA-N	0	0	369.284	4.509	40	30		FJEBRN
Cc1[nH]c2c(cccc2C)c1CN=Nc1c(F)c(F)c(F)c(F)c1F	ZINC000409030186	570714764	/nfs/dbraw/zinc/71/47/64/570714764.db2.gz	DQDLDQPJFGGTRH-OUBWWKSTSA-N	0	0	353.294	4.926	40	30		FJEBRN
COc1ccc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1	ZINC000012032528	570715099	/nfs/dbraw/zinc/71/50/99/570715099.db2.gz	QFVZIJOKDZWAAS-UYRXBGFRSA-N	0	0	360.438	4.740	40	30		FJEBRN
COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12	ZINC000409040911	570715577	/nfs/dbraw/zinc/71/55/77/570715577.db2.gz	IQYOTHUNALBADL-NYAPKIOYSA-N	0	0	368.252	4.562	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccccc1F	ZINC000409076459	570718954	/nfs/dbraw/zinc/71/89/54/570718954.db2.gz	ANTUZYWBPYRCKP-RGEXLXHISA-N	0	0	373.383	4.749	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc(F)c1	ZINC000409080555	570719859	/nfs/dbraw/zinc/71/98/59/570719859.db2.gz	ILPMEINJFILQKA-ZHZULCJRSA-N	0	0	373.383	4.749	40	30		FJEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/O)cc1Cl	ZINC000409079400	570720787	/nfs/dbraw/zinc/72/07/87/570720787.db2.gz	BBGYUIJZFMOGGC-FBCYGCLPSA-N	0	0	360.675	4.867	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2cccc(F)c2)c1	ZINC000409085970	570720865	/nfs/dbraw/zinc/72/08/65/570720865.db2.gz	UDBPCUJSKKWXEY-KGENOOAVSA-N	0	0	373.383	4.749	40	30		FJEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(F)c(Cl)c1	ZINC000409095482	570721797	/nfs/dbraw/zinc/72/17/97/570721797.db2.gz	HXFSGFJXJYFCNG-WSDLNYQXSA-N	0	0	362.832	4.847	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OC	ZINC000409110265	570725289	/nfs/dbraw/zinc/72/52/89/570725289.db2.gz	ANSIGOWUUZIDDZ-UHFFFAOYSA-N	0	0	350.245	4.935	40	30		FJEBRN
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1	ZINC000409112018	570725582	/nfs/dbraw/zinc/72/55/82/570725582.db2.gz	BHUZOJZZELKKSV-MTJSOVHGSA-N	0	0	350.403	4.595	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O	ZINC000409113207	570726127	/nfs/dbraw/zinc/72/61/27/570726127.db2.gz	HCECJZBNANMPBO-XDHOZWIPSA-N	0	0	366.486	4.933	40	30		FJEBRN
O=[N+]([O-])c1ccc(Sc2ncccn2)c(/C=N\c2cccc(Cl)c2)c1	ZINC000409120206	570728006	/nfs/dbraw/zinc/72/80/06/570728006.db2.gz	YQIHVHWNPPXHIZ-NHDPSOOVSA-N	0	0	370.821	4.940	40	30		FJEBRN
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21	ZINC000409157416	570734252	/nfs/dbraw/zinc/73/42/52/570734252.db2.gz	QTIDDCTVNLBTHL-LVCYWYKZSA-N	0	0	361.401	4.632	40	30		FJEBRN
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccccc3C)c2)cc1	ZINC000409203032	570740187	/nfs/dbraw/zinc/74/01/87/570740187.db2.gz	VQSIRGVHERBJSF-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1	ZINC000409216426	570741772	/nfs/dbraw/zinc/74/17/72/570741772.db2.gz	LAXNXDPMGNQOSN-QNGOZBTKSA-N	0	0	351.427	4.513	40	30		FJEBRN
O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1	ZINC000409286627	570748604	/nfs/dbraw/zinc/74/86/04/570748604.db2.gz	ZGBXILRRLYDCSC-UHFFFAOYSA-N	0	0	365.864	4.980	40	30		FJEBRN
C=CCOc1ccc(Br)cc1/C=C1\Cc2ccccc2C1=O	ZINC000409370637	570754057	/nfs/dbraw/zinc/75/40/57/570754057.db2.gz	COGXUVNEBXCEMG-RVDMUPIBSA-N	0	0	355.231	4.836	40	30		FJEBRN
CCCCN1c2ccccc2/C(=N\c2sc3c(c2C#N)CCCC3)C1=O	ZINC000409389048	570756885	/nfs/dbraw/zinc/75/68/85/570756885.db2.gz	OPCYYDLFFSGWAP-FCDQGJHFSA-N	0	0	363.486	4.766	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	ZINC000100138548	570759679	/nfs/dbraw/zinc/75/96/79/570759679.db2.gz	CWXXLBPUHCHPAV-OYKKKHCWSA-N	0	0	362.404	4.902	40	30		FJEBRN
O=C(OCc1ccccc1)C(Cl)=NNc1cc(Cl)cc(Cl)c1	ZINC000100505647	570761678	/nfs/dbraw/zinc/76/16/78/570761678.db2.gz	CJRYPBMUIXWQTO-XSFVSMFZSA-N	0	0	357.624	4.701	40	30		FJEBRN
C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1	ZINC000106707004	570784637	/nfs/dbraw/zinc/78/46/37/570784637.db2.gz	RILQLRNBEQAAHY-UYRXBGFRSA-N	0	0	365.454	4.796	40	30		FJEBRN
Cc1ccc(COc2cccc(C=NNc3nc4ccccc4[nH]3)c2)cc1	ZINC000014134286	570844235	/nfs/dbraw/zinc/84/42/35/570844235.db2.gz	FJQWWNAPJKRSPC-OEAKJJBVSA-N	0	0	356.429	4.896	40	30		FJEBRN
CCCCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N	ZINC000225892860	570849124	/nfs/dbraw/zinc/84/91/24/570849124.db2.gz	MBJQSGPTPMETNV-UHFFFAOYSA-N	0	0	367.305	4.872	40	30		FJEBRN
C=C1C(=NC(=O)c2ccc(OC)c(Cl)c2)C(=C)C(Cl)C(=O)C1Cl	ZINC000016779969	570861896	/nfs/dbraw/zinc/86/18/96/570861896.db2.gz	MWXQYGFDUOGRRA-UHFFFAOYSA-N	0	0	372.635	4.538	40	30		FJEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118928627	570871458	/nfs/dbraw/zinc/87/14/58/570871458.db2.gz	XIISKOBDMPFZPL-TZXQKUFUSA-N	0	0	360.538	4.878	40	30		FJEBRN
C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927802	570871463	/nfs/dbraw/zinc/87/14/63/570871463.db2.gz	WHUVCKHSKYGQND-OWNQEUAMSA-N	0	0	358.522	4.798	40	30		FJEBRN
O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1	ZINC000033398987	571084816	/nfs/dbraw/zinc/08/48/16/571084816.db2.gz	BBHMHPXCPCYAIQ-ODLFYWEKSA-N	0	0	364.386	4.911	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c1O	ZINC000059461335	571089543	/nfs/dbraw/zinc/08/95/43/571089543.db2.gz	MSRFKKQYYFGFHH-XNHYIXHQSA-N	0	0	368.414	4.591	40	30		FJEBRN
CSc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1	ZINC000059462530	571090070	/nfs/dbraw/zinc/09/00/70/571090070.db2.gz	FADDNSUPQNGWMQ-XNTDXEJSSA-N	0	0	360.891	4.954	40	30		FJEBRN
CC(=NNc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1	ZINC000059417096	571090471	/nfs/dbraw/zinc/09/04/71/571090471.db2.gz	OFUHBHVEHIIGRL-XYGWBWBKSA-N	0	0	356.429	4.978	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1	ZINC000007594562	571104340	/nfs/dbraw/zinc/10/43/40/571104340.db2.gz	DMGWHQPFNUOHEO-UHFFFAOYSA-N	0	0	371.940	4.591	40	30		FJEBRN
Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)c1	ZINC000059679583	571092226	/nfs/dbraw/zinc/09/22/26/571092226.db2.gz	VZGXQCOMWCGDQO-RGEXLXHISA-N	0	0	359.454	4.677	40	30		FJEBRN
C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(CC)cc1	ZINC000013635114	571119998	/nfs/dbraw/zinc/11/99/98/571119998.db2.gz	MXUXUOJAKKXKKR-NRFANRHFSA-N	0	0	373.456	4.617	40	30		FJEBRN
CCS[C@H](C)CC1CC(=O)C(C(CC)=NOC/C=C\Cl)C(=O)C1	ZINC000254289946	571139767	/nfs/dbraw/zinc/13/97/67/571139767.db2.gz	SILSDTWXNBZOGF-LDWBTFJVSA-N	0	0	359.919	4.844	40	30		FJEBRN
C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	ZINC000216847967	571149218	/nfs/dbraw/zinc/14/92/18/571149218.db2.gz	QGRAQBAHVIDUFD-UHFFFAOYSA-N	0	0	353.176	4.502	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC	ZINC000219804277	571175205	/nfs/dbraw/zinc/17/52/05/571175205.db2.gz	TYOHRJKOHRVZLA-HNNXBMFYSA-N	0	0	368.502	4.745	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCCc1ccccc1OCC	ZINC000219812502	571175217	/nfs/dbraw/zinc/17/52/17/571175217.db2.gz	DFHVTVXPTPZBDW-UHFFFAOYSA-N	0	0	355.503	4.726	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCCc1ccc(OCC)cc1	ZINC000219816560	571175240	/nfs/dbraw/zinc/17/52/40/571175240.db2.gz	INKUOFPBJALSSZ-UHFFFAOYSA-N	0	0	355.503	4.726	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2Cl)cc1	ZINC000253617007	571291943	/nfs/dbraw/zinc/29/19/43/571291943.db2.gz	UMGRSATZPFCQOP-UHFFFAOYSA-N	0	0	363.273	4.731	40	30		FJEBRN
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21	ZINC000006963482	571298086	/nfs/dbraw/zinc/29/80/86/571298086.db2.gz	QTIDDCTVNLBTHL-BBTUJRGHSA-N	0	0	361.401	4.632	40	30		FJEBRN
Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1	ZINC000008334658	571300879	/nfs/dbraw/zinc/30/08/79/571300879.db2.gz	FWIUEVZZNHBCII-LPYMAVHISA-N	0	0	351.837	4.893	40	30		FJEBRN
Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1	ZINC000008368165	571300974	/nfs/dbraw/zinc/30/09/74/571300974.db2.gz	ZKSFEWAAKWJZPD-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC	ZINC000010119059	571302852	/nfs/dbraw/zinc/30/28/52/571302852.db2.gz	KFQGMZDOMVELEJ-WSDLNYQXSA-N	0	0	365.260	4.691	40	30		FJEBRN
CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OC	ZINC000034954269	571306084	/nfs/dbraw/zinc/30/60/84/571306084.db2.gz	AEBSMQOSDLBZDQ-UHFFFAOYSA-N	0	0	359.429	4.585	40	30		FJEBRN
COC(=O)c1cccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)c1C	ZINC000006626246	571310419	/nfs/dbraw/zinc/31/04/19/571310419.db2.gz	USEVKXJSLIHQPK-YDZHTSKRSA-N	0	0	354.425	4.580	40	30		FJEBRN
CCOC(=O)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1	ZINC000033703636	571310616	/nfs/dbraw/zinc/31/06/16/571310616.db2.gz	ZELOWTPOUQMPBT-OEAKJJBVSA-N	0	0	354.425	4.662	40	30		FJEBRN
Cc1cc(/C=N\c2ccc(I)c(C)c2)cc(C)c1O	ZINC000110046851	571311057	/nfs/dbraw/zinc/31/10/57/571311057.db2.gz	JVZJSIAPROKKDY-NVMNQCDNSA-N	0	0	365.214	4.673	40	30		FJEBRN
Cc1ccc(C(=O)/C=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1	ZINC000165106902	571311171	/nfs/dbraw/zinc/31/11/71/571311171.db2.gz	MQWPUFKVQYAXOS-OUKQBFOZSA-N	0	0	363.369	4.971	40	30		FJEBRN
CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1	ZINC000213158556	571311320	/nfs/dbraw/zinc/31/13/20/571311320.db2.gz	WLAFLJSTEWAWSL-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1	ZINC000214521486	571311355	/nfs/dbraw/zinc/31/13/55/571311355.db2.gz	YOGFVYIEDOIPBZ-CPNJWEJPSA-N	0	0	365.454	4.796	40	30		FJEBRN
N#Cc1c(N)nc2c(c1-c1ccc(OCc3cccc(F)c3)cc1)CCCC2	ZINC000408980980	571319458	/nfs/dbraw/zinc/31/94/58/571319458.db2.gz	UPTBOLBKFKBDHT-UHFFFAOYSA-N	0	0	373.431	4.630	40	30		FJEBRN
COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCC(C)C	ZINC000408979281	571319481	/nfs/dbraw/zinc/31/94/81/571319481.db2.gz	MAMLZUPHVDBDTG-UHFFFAOYSA-N	0	0	373.456	4.743	40	30		FJEBRN
N#Cc1ccccc1CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O	ZINC000409164701	571319496	/nfs/dbraw/zinc/31/94/96/571319496.db2.gz	MJMDLNLKUXUMHK-PXNMLYILSA-N	0	0	372.808	4.587	40	30		FJEBRN
Cc1nn(-c2ccccc2)c(Cl)c1C=NN=c1ccc2ccccc2[nH]1	ZINC000020986120	571332035	/nfs/dbraw/zinc/33/20/35/571332035.db2.gz	FEPXKWYTJUCNSS-LPYMAVHISA-N	0	0	361.836	4.828	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C#N	ZINC000225832542	571338551	/nfs/dbraw/zinc/33/85/51/571338551.db2.gz	UEHONGFZKAFSOO-HRAATJIYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCCC1	ZINC000225830826	571338554	/nfs/dbraw/zinc/33/85/54/571338554.db2.gz	IPSGWXRWVYRXSF-INIZCTEOSA-N	0	0	358.482	4.804	40	30		FJEBRN
N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1	ZINC000225854496	571338730	/nfs/dbraw/zinc/33/87/30/571338730.db2.gz	ADECUTAJKISHAK-UHFFFAOYSA-N	0	0	356.256	4.888	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC(C)CC1	ZINC000225857089	571338798	/nfs/dbraw/zinc/33/87/98/571338798.db2.gz	AVKRNACMVOEQTN-UHFFFAOYSA-N	0	0	372.509	4.907	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1	ZINC000219784345	210175380	/nfs/dbraw/zinc/17/53/80/210175380.db2.gz	OFPWBHAXJHEKQW-UHFFFAOYSA-N	0	0	367.445	4.851	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1	ZINC000219792381	210175260	/nfs/dbraw/zinc/17/52/60/210175260.db2.gz	WPYQIDFQKASAMZ-HXUWFJFHSA-N	0	0	365.473	4.982	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OCC)ccc1C	ZINC000219813200	210174659	/nfs/dbraw/zinc/17/46/59/210174659.db2.gz	XFZAFZDDDXNCME-UHFFFAOYSA-N	0	0	355.459	4.702	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000216817951	210158514	/nfs/dbraw/zinc/15/85/14/210158514.db2.gz	AWRWJRXJPYHRRH-UHFFFAOYSA-N	0	0	365.198	4.510	40	30		FJEBRN
Cc1ccc(C)c2c1C(=O)c1c(C)ccc(C)c1C2(O)C#Cc1ccccc1	ZINC000001564292	210148617	/nfs/dbraw/zinc/14/86/17/210148617.db2.gz	TYBUBWOCMSQRDR-UHFFFAOYSA-N	0	0	366.460	4.752	40	30		FJEBRN
COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(OC)c1OC	ZINC000007743550	210093120	/nfs/dbraw/zinc/09/31/20/210093120.db2.gz	UTTKOJLBRYRCRO-XBXARRHUSA-N	0	0	367.228	4.915	40	30		FJEBRN
CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(C)cc1	ZINC000100250312	210083633	/nfs/dbraw/zinc/08/36/33/210083633.db2.gz	DENCQEHEXGHMEH-GRSHGNNSSA-N	0	0	364.239	4.543	40	30		FJEBRN
Cc1ccc(-c2nn(-c3cc(C)cc(Cl)c3)c(N)c2C#N)c(Cl)c1	ZINC000039955188	210043759	/nfs/dbraw/zinc/04/37/59/210043759.db2.gz	MTKNXRNVLQRKOV-UHFFFAOYSA-N	0	0	357.244	4.917	40	30		FJEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1Br)C2	ZINC000039881076	210044562	/nfs/dbraw/zinc/04/45/62/210044562.db2.gz	AZKXBBBYDKHVRT-GTNSWQLSSA-N	0	0	352.247	4.909	40	30		FJEBRN
Cc1ccccc1OCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1	ZINC000225862182	222875978	/nfs/dbraw/zinc/87/59/78/222875978.db2.gz	WQVQWQNOSYIVDK-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc32)C1	ZINC000225868190	222877282	/nfs/dbraw/zinc/87/72/82/222877282.db2.gz	LWQVCJGDANXCEY-IAGOWNOFSA-N	0	0	358.489	4.626	40	30		FJEBRN
C/C(Cl)=C/CCC(C)C=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004903317	219621897	/nfs/dbraw/zinc/62/18/97/219621897.db2.gz	PVNSWIBQEMCVIV-CJNWTPEVSA-N	0	0	352.778	4.770	40	30		FJEBRN
C(=N/N=c1\scc(-c2ccccc2)n1Cc1ccco1)\c1ccccc1	ZINC000001466329	204009717	/nfs/dbraw/zinc/00/97/17/204009717.db2.gz	NIWOBIQZMWJMHV-BXWNHYELSA-N	0	0	359.454	4.793	40	30		FJEBRN
CCC(=O)O[C@@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000001686690	204017224	/nfs/dbraw/zinc/01/72/24/204017224.db2.gz	AFBZBYQKIMBONK-SSEZJGRHSA-N	0	0	362.485	4.788	40	30		FJEBRN
C[C@@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccccc3)sc2C1	ZINC000001771091	204018004	/nfs/dbraw/zinc/01/80/04/204018004.db2.gz	XVWGXAYRXDSQGS-CQSZACIVSA-N	0	0	354.475	4.542	40	30		FJEBRN
O=C(C=C(C=C(O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1	ZINC000005051952	204187884	/nfs/dbraw/zinc/18/78/84/204187884.db2.gz	BYFLKSLHCIJYNC-PGMHBOJBSA-N	0	0	354.405	4.952	40	30		FJEBRN
CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1	ZINC000005950721	204232474	/nfs/dbraw/zinc/23/24/74/204232474.db2.gz	GMXCPSZZPUMTHX-VXLYETTFSA-N	0	0	361.239	4.562	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2cc(C)ccc2C)NC1=O	ZINC000008410975	204330710	/nfs/dbraw/zinc/33/07/10/204330710.db2.gz	NJUUEDRKKUIVLS-UYRXBGFRSA-N	0	0	364.470	4.760	40	30		FJEBRN
O=[N+]([O-])c1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1Cl	ZINC000009195825	204357664	/nfs/dbraw/zinc/35/76/64/204357664.db2.gz	DHYOPRWCHBUMKF-CNHKJKLMSA-N	0	0	358.612	4.679	40	30		FJEBRN
CC(=CC(C)c1ccc(C)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013407699	204529182	/nfs/dbraw/zinc/52/91/82/204529182.db2.gz	UQJVWPLGIHPMOU-NIEGGPFSSA-N	0	0	354.366	4.703	40	30		FJEBRN
Cc1cccc(N2CCC/C2=N\c2ccc(Br)cc2C#N)c1	ZINC000013118696	220058478	/nfs/dbraw/zinc/05/84/78/220058478.db2.gz	NRJIENPUYNDOSD-DYTRJAOYSA-N	0	0	354.251	4.960	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1	ZINC000225490248	206118486	/nfs/dbraw/zinc/11/84/86/206118486.db2.gz	BTKNEUQCAJQHJF-LJQANCHMSA-N	0	0	356.491	4.698	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1	ZINC000000898885	206140241	/nfs/dbraw/zinc/14/02/41/206140241.db2.gz	OOGRCKQMBJRBFL-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc12	ZINC000000933895	206141851	/nfs/dbraw/zinc/14/18/51/206141851.db2.gz	QMVKRTIINCIVPF-KBXCAEBGSA-N	0	0	367.518	4.510	40	30		FJEBRN
O=C(Nc1cccc(Cl)c1)O/N=C(/c1ccccc1)c1ccccn1	ZINC000000829813	206134761	/nfs/dbraw/zinc/13/47/61/206134761.db2.gz	RFRJSRWNANFWNI-NKFKGCMQSA-N	0	0	351.793	4.736	40	30		FJEBRN
C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccc2c(c1)OCO2	ZINC000003045120	206157812	/nfs/dbraw/zinc/15/78/12/206157812.db2.gz	SFIHSRJNXLDEFS-YDZHTSKRSA-N	0	0	369.380	4.883	40	30		FJEBRN
COc1ccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1	ZINC000001354485	206148338	/nfs/dbraw/zinc/14/83/38/206148338.db2.gz	NJASXGUPXZRIEV-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
COC(=O)c1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000004919156	206185024	/nfs/dbraw/zinc/18/50/24/206185024.db2.gz	AOYCPZURBYUACU-UFWORHAWSA-N	0	0	357.624	4.879	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1	ZINC000004849195	206180657	/nfs/dbraw/zinc/18/06/57/206180657.db2.gz	IPMRMHBVWOBXRI-KDOFPFPSSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1	ZINC000004849192	206180831	/nfs/dbraw/zinc/18/08/31/206180831.db2.gz	IPMRMHBVWOBXRI-KBXCAEBGSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc2c1	ZINC000004849180	206180853	/nfs/dbraw/zinc/18/08/53/206180853.db2.gz	MILHJYYKQDGODH-RDTXWAMCSA-N	0	0	367.518	4.510	40	30		FJEBRN
CSc1nc2ccc(/N=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2s1	ZINC000100381493	206223810	/nfs/dbraw/zinc/22/38/10/206223810.db2.gz	FJZYSLFNVDPBHA-VCHYOVAHSA-N	0	0	372.475	4.743	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1	ZINC000008277553	206245901	/nfs/dbraw/zinc/24/59/01/206245901.db2.gz	SJOSVJNUNSAROH-MHWRWJLKSA-N	0	0	358.850	4.549	40	30		FJEBRN
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2	ZINC000012080343	206286245	/nfs/dbraw/zinc/28/62/45/206286245.db2.gz	ASMAHLZUEWTNTJ-NRWCZATHSA-N	0	0	350.802	4.607	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC(C)CC1	ZINC000225834950	206502777	/nfs/dbraw/zinc/50/27/77/206502777.db2.gz	PZMXNGUKNNSLDX-TZQQIIETSA-N	0	0	358.482	4.659	40	30		FJEBRN
N#Cc1c(N)nc(-c2ccc(Br)cc2)cc1-c1cccs1	ZINC000033530261	206518316	/nfs/dbraw/zinc/51/83/16/206518316.db2.gz	YCEZKABBCSJWHV-UHFFFAOYSA-N	0	0	356.248	4.693	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C2\c3ccccc3-c3ccc(NC(C)=O)cc32)cc1	ZINC000022345900	211347582	/nfs/dbraw/zinc/34/75/82/211347582.db2.gz	JZGWSAUNDDJCIE-WNAAXNPUSA-N	0	0	369.424	4.753	40	30		FJEBRN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1	ZINC000021356092	211312521	/nfs/dbraw/zinc/31/25/21/211312521.db2.gz	AXVAXTZHXKFHSN-QFIPXVFZSA-N	0	0	360.457	4.850	40	30		FJEBRN
CC(C)OC(=O)OCSc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1	ZINC000018023334	211190608	/nfs/dbraw/zinc/19/06/08/211190608.db2.gz	DDFTYKYCPZDQDP-YBFXNURJSA-N	0	0	374.418	4.957	40	30		FJEBRN
CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)C/C2=N\O	ZINC000013477721	211035797	/nfs/dbraw/zinc/03/57/97/211035797.db2.gz	FEVRAXSZZSFJDH-QDAPYELHSA-N	0	0	355.265	4.979	40	30		FJEBRN
Nc1cc(/N=C\c2ccc3c(c2)OCO3)cc(-c2nc3ccccc3o2)c1	ZINC000005338682	210615105	/nfs/dbraw/zinc/61/51/05/210615105.db2.gz	JYNBFOBOOVMCTP-KSEXSDGBSA-N	0	0	357.369	4.556	40	30		FJEBRN
Cc1cc(SCC(=O)c2ccccc2)n2c3ccccc3nc2c1C#N	ZINC000002454083	210399585	/nfs/dbraw/zinc/39/95/85/210399585.db2.gz	CTUBFNDYYKRVGU-UHFFFAOYSA-N	0	0	357.438	4.643	40	30		FJEBRN
COc1ccc([C@H]2CCCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001715762	210367381	/nfs/dbraw/zinc/36/73/81/210367381.db2.gz	MCABBJPUFYFWOF-NHCUHLMSSA-N	0	0	374.502	4.825	40	30		FJEBRN
Cc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2Cl)cc1	ZINC000001575303	210360349	/nfs/dbraw/zinc/36/03/49/210360349.db2.gz	SJMNTQKOGGRCLI-ZVHZXABRSA-N	0	0	373.843	4.908	40	30		FJEBRN
CCCC1=C(OC(C)=O)C(=O)C2=C(CC[C@H]3[C@@H](C)[C@@H](C)CC[C@]23C)C1=O	ZINC000068601703	221316439	/nfs/dbraw/zinc/31/64/39/221316439.db2.gz	KKESNQCARUKKLJ-GQXIFVTJSA-N	0	0	358.478	4.534	40	30		FJEBRN
N#C[C@@]1(C(=O)c2ccccc2)C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000001705913	132382226	/nfs/dbraw/zinc/38/22/26/132382226.db2.gz	PVIDKUKEDKGIPA-XMMPIXPASA-N	0	0	364.404	4.505	40	30		FJEBRN
C/C(=C\N1CCN(c2ccc(Cl)cc2)[C@@H](C)C1)C(=O)c1ccccc1	ZINC000017064252	132883557	/nfs/dbraw/zinc/88/35/57/132883557.db2.gz	ARDCRVXWCKCOQA-ZQHZRZASSA-N	0	0	354.881	4.637	40	30		FJEBRN
CCOC(=O)c1ccc(/N=C\c2c3c(ccc2O)oc2c3CCCC2)cc1	ZINC000100216168	222239827	/nfs/dbraw/zinc/23/98/27/222239827.db2.gz	JVRZHGUYZDWOGC-QRVIBDJDSA-N	0	0	363.413	4.945	40	30		FJEBRN
CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@H](O)CO	ZINC000100503505	222245563	/nfs/dbraw/zinc/24/55/63/222245563.db2.gz	LKEJFIOAQPYKFQ-QJRAZLAKSA-N	0	0	356.547	4.920	40	30		FJEBRN
CCCCCCCOC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O	ZINC000103621179	222340055	/nfs/dbraw/zinc/34/00/55/222340055.db2.gz	DNJUAZCWNOVGPW-UHFFFAOYSA-N	0	0	365.429	4.614	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC2=C(Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1	ZINC000104183161	222353093	/nfs/dbraw/zinc/35/30/93/222353093.db2.gz	NYAUQRQETLBWBV-XHZZNZTISA-N	0	0	366.377	4.929	40	30		FJEBRN
C=CCN(CC=C)C(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000001083387	263142348	/nfs/dbraw/zinc/14/23/48/263142348.db2.gz	MJILCRFPOUYUER-UHFFFAOYSA-N	0	0	366.244	4.980	40	30		FJEBRN
C=C[C@@H](CC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000005080643	263338697	/nfs/dbraw/zinc/33/86/97/263338697.db2.gz	PBVVVCSDMBFICK-ITRAFESCSA-N	0	0	354.366	4.651	40	30		FJEBRN
CC(CCC=Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005081233	263338792	/nfs/dbraw/zinc/33/87/92/263338792.db2.gz	CAKTYKSNWCLKJV-KTNZDRLESA-N	0	0	354.366	4.784	40	30		FJEBRN
O=C(NCc1ccco1)c1c(/N=C\c2cccs2)sc2c1CCCC2	ZINC000006222007	263344408	/nfs/dbraw/zinc/34/44/08/263344408.db2.gz	QVQIILUKNLJSFN-MTJSOVHGSA-N	0	0	370.499	4.962	40	30		FJEBRN
C[C@H](C[C@@H](C#N)NCCN[C@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000019368195	263374434	/nfs/dbraw/zinc/37/44/34/263374434.db2.gz	FHEQJCCBJZWVQZ-ZRNYENFQSA-N	0	0	362.606	4.875	40	30		FJEBRN
Cc1c(/C=N/c2cccc(I)c2)c2ccccc2n1C	ZINC000059247927	263417783	/nfs/dbraw/zinc/41/77/83/263417783.db2.gz	IOMKYXSQASCIDM-YBFXNURJSA-N	0	0	374.225	4.842	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc(F)c2)cc1	ZINC000408592355	263477647	/nfs/dbraw/zinc/47/76/47/263477647.db2.gz	MGCGQORTDDMPPG-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
CCOc1cc(Cl)c(/C=N/OCc2ccccc2C#N)cc1OCC	ZINC000408596076	263478377	/nfs/dbraw/zinc/47/83/77/263478377.db2.gz	PENRRDKEECTCLM-WSDLNYQXSA-N	0	0	358.825	4.560	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)SC1=S	ZINC000408820334	263498605	/nfs/dbraw/zinc/49/86/05/263498605.db2.gz	WWLSFUAMNKZAEP-BOPFTXTBSA-N	0	0	372.490	4.620	40	30		FJEBRN
CCOc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1	ZINC000408850762	263501464	/nfs/dbraw/zinc/50/14/64/263501464.db2.gz	DXEMXZRZLKMJSN-UNOMPAQXSA-N	0	0	363.255	4.792	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1cc(C)ccc1C	ZINC000408905859	263505773	/nfs/dbraw/zinc/50/57/73/263505773.db2.gz	FUYZLSZIZHNFME-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
CCCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21	ZINC000408900436	263505826	/nfs/dbraw/zinc/50/58/26/263505826.db2.gz	YKSCSNBMGAKQCQ-UHFFFAOYSA-N	0	0	374.484	4.752	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1C	ZINC000408908596	263506835	/nfs/dbraw/zinc/50/68/35/263506835.db2.gz	FXNXKIWRRHVYNC-NFYBBCHUSA-N	0	0	366.486	4.800	40	30		FJEBRN
Cc1ccc(NC(=O)COc2cccc(C=NNc3ccccc3)c2)cc1C	ZINC000409005520	263516578	/nfs/dbraw/zinc/51/65/78/263516578.db2.gz	DYHWAPXAKNOFRX-IWIPYMOSSA-N	0	0	373.456	4.767	40	30		FJEBRN
CC(CCC=Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005412353	518473407	/nfs/dbraw/zinc/47/34/07/518473407.db2.gz	CAKTYKSNWCLKJV-YECQTARSSA-N	0	0	354.366	4.784	40	30		FJEBRN
C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000224685126	518803930	/nfs/dbraw/zinc/80/39/30/518803930.db2.gz	WVBCGJIZHGRDKP-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224709268	518804704	/nfs/dbraw/zinc/80/47/04/518804704.db2.gz	KZFVKROEQWHEOV-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1	ZINC000224899972	519039922	/nfs/dbraw/zinc/03/99/22/519039922.db2.gz	DVCHIHQDGSDPGS-INIZCTEOSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1	ZINC000225791478	519041512	/nfs/dbraw/zinc/04/15/12/519041512.db2.gz	PNHBNKYHPQDVSL-QGZVFWFLSA-N	0	0	370.518	4.622	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCSC2CCCCC2)c1	ZINC000225591742	519056375	/nfs/dbraw/zinc/05/63/75/519056375.db2.gz	UGKNJCXHQZMQAR-UHFFFAOYSA-N	0	0	364.580	4.994	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1	ZINC000225709767	519056533	/nfs/dbraw/zinc/05/65/33/519056533.db2.gz	LRRNMCHLNQZTEG-QFIPXVFZSA-N	0	0	365.473	4.926	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1OC	ZINC000020491680	519128763	/nfs/dbraw/zinc/12/87/63/519128763.db2.gz	GFVNOVOYARRWFN-NRFANRHFSA-N	0	0	367.489	4.950	40	30		FJEBRN
C=CCn1c(COc2ccccc2)nnc1SCc1ccccc1Cl	ZINC000014087873	519189055	/nfs/dbraw/zinc/18/90/55/519189055.db2.gz	APUMOCIMFLTBPF-UHFFFAOYSA-N	0	0	371.893	4.989	40	30		FJEBRN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@H]32)C1	ZINC000253501277	519756967	/nfs/dbraw/zinc/75/69/67/519756967.db2.gz	QLMXZKMIBONXSF-QPJZEMMPSA-N	0	0	354.490	4.926	40	30		FJEBRN
CCCCCCCCCCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000085911856	519998206	/nfs/dbraw/zinc/99/82/06/519998206.db2.gz	FDSLJAYOPNMZIY-WOJBJXKFSA-N	0	0	355.563	4.988	40	30		FJEBRN
CCCCCCCCCCSC1=C(Cl)C(=O)C(OC)=C(OC)C1=O	ZINC000001558769	520023088	/nfs/dbraw/zinc/02/30/88/520023088.db2.gz	CLAHSRGPDUTRDV-UHFFFAOYSA-N	0	0	374.930	4.967	40	30		FJEBRN
CCCCCCCCCn1nc(Br)nc1Br	ZINC000100412925	520032865	/nfs/dbraw/zinc/03/28/65/520032865.db2.gz	XJPHOGXHYSPJSL-UHFFFAOYSA-N	0	0	353.102	4.554	40	30		FJEBRN
CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1	ZINC000225371289	520872097	/nfs/dbraw/zinc/87/20/97/520872097.db2.gz	YRWRKGBNZBUMRZ-VZUCSPMQSA-N	0	0	352.430	4.779	40	30		FJEBRN
CCCCOc1ccc(C(=O)O/N=C2/CCCc3cc(OC)ccc32)cc1	ZINC000005298426	520873550	/nfs/dbraw/zinc/87/35/50/520873550.db2.gz	NUJDCGHNIHNBDW-LNVKXUELSA-N	0	0	367.445	4.772	40	30		FJEBRN
CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)cc1	ZINC000006869800	520885253	/nfs/dbraw/zinc/88/52/53/520885253.db2.gz	CADXSNXUPLCUEM-AQTBWJFISA-N	0	0	369.465	4.564	40	30		FJEBRN
COc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1OC(C)=O	ZINC000004474161	521984057	/nfs/dbraw/zinc/98/40/57/521984057.db2.gz	RFCVIKFXWUUQQV-XQNSMLJCSA-N	0	0	360.413	4.793	40	30		FJEBRN
COc1cc(OC)cc(C(=O)/N=C(\c2ccccc2)c2ccc(C)cc2)c1	ZINC000025501483	522843300	/nfs/dbraw/zinc/84/33/00/522843300.db2.gz	AXRZANCIXJDDKQ-ZNTNEXAZSA-N	0	0	359.425	4.690	40	30		FJEBRN
Cc1cc(C)nc(N=NCc2ccc(-c3ccccc3Br)o2)n1	ZINC000014013582	524576697	/nfs/dbraw/zinc/57/66/97/524576697.db2.gz	AAGVJLZHBVUORK-VXLYETTFSA-N	0	0	371.238	4.562	40	30		FJEBRN
N#CCc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1	ZINC000225615005	526484308	/nfs/dbraw/zinc/48/43/08/526484308.db2.gz	ICCYUBMKBAHZMQ-UHFFFAOYSA-N	0	0	373.522	4.502	40	30		FJEBRN
N#CCc1ccc(NC(=S)NCCCc2cccc3ccccc32)cc1	ZINC000225808510	526484519	/nfs/dbraw/zinc/48/45/19/526484519.db2.gz	QXPTVDYUPGAQIN-UHFFFAOYSA-N	0	0	359.498	4.825	40	30		FJEBRN
N#Cc1ccccc1CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1	ZINC000020195566	526739110	/nfs/dbraw/zinc/73/91/10/526739110.db2.gz	RPVREKIZQFYVEZ-UHFFFAOYSA-N	0	0	361.257	4.942	40	30		FJEBRN
CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CC#N)cc1	ZINC000222914832	568578196	/nfs/dbraw/zinc/57/81/96/568578196.db2.gz	FLBJMESHCKRNMC-FQEVSTJZSA-N	0	0	350.462	4.846	40	30		FJEBRN
Cc1nn(-c2ccccc2)c(C)c1C=NNc1cc(C)c2ccccc2n1	ZINC000096305918	570480542	/nfs/dbraw/zinc/48/05/42/570480542.db2.gz	RISMAWBQSPDDIV-OEAKJJBVSA-N	0	0	355.445	4.792	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C)cc2)C1=O	ZINC000408528763	570508986	/nfs/dbraw/zinc/50/89/86/570508986.db2.gz	HBRWPXISVWEZFQ-QGOAFFKASA-N	0	0	367.495	4.966	40	30		FJEBRN
C=CCc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(OCC)c1OCC	ZINC000035074627	570509088	/nfs/dbraw/zinc/50/90/88/570509088.db2.gz	WQMCUBZXBITPNY-KTKRTIGZSA-N	0	0	358.394	4.588	40	30		FJEBRN
C#CCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1	ZINC000041635779	570517137	/nfs/dbraw/zinc/51/71/37/570517137.db2.gz	DEFHZCNORZTLJV-UHFFFAOYSA-N	0	0	368.633	4.866	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000408536213	570517368	/nfs/dbraw/zinc/51/73/68/570517368.db2.gz	YRGZGLJAIHAAEL-PDGQHHTCSA-N	0	0	369.417	4.627	40	30		FJEBRN
O/N=C1C(=C/c2ccc(F)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(F)cc1	ZINC000104283661	570521208	/nfs/dbraw/zinc/52/12/08/570521208.db2.gz	UXDMUBQZCGHXNL-FTQIEJLHSA-N	0	0	358.388	4.699	40	30		FJEBRN
CN1c2ccccc2S/C1=C/C(=O)/C=C1\Sc2ccccc2N1C	ZINC000002708113	570527962	/nfs/dbraw/zinc/52/79/62/570527962.db2.gz	VCOHOPZHRNPTSW-VHVWWYSBSA-N	0	0	352.484	4.723	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2c1C	ZINC000004849115	570535784	/nfs/dbraw/zinc/53/57/84/570535784.db2.gz	VHVYAOYXVGMZTR-RDTXWAMCSA-N	0	0	367.518	4.510	40	30		FJEBRN
COc1ccc(Cl)cc1/N=C/c1ccccc1I	ZINC000408553061	570550112	/nfs/dbraw/zinc/55/01/12/570550112.db2.gz	WMLJUKKWFLCWIU-RQZCQDPDSA-N	0	0	371.605	4.704	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)N(C)c2ccccc2)n1CC	ZINC000408560978	570555260	/nfs/dbraw/zinc/55/52/60/570555260.db2.gz	SLKFWRKUBMVNDH-UHFFFAOYSA-N	0	0	374.554	4.566	40	30		FJEBRN
C=CCOc1c(Cl)cc(C(=S)N2CCC(C)CC2)cc1OCC	ZINC000006350971	570556911	/nfs/dbraw/zinc/55/69/11/570556911.db2.gz	YBLBNGHFPUQAKS-UHFFFAOYSA-N	0	0	353.915	4.711	40	30		FJEBRN
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(F)c1	ZINC000408589175	570567163	/nfs/dbraw/zinc/56/71/63/570567163.db2.gz	DEBZZWXTTAUALY-WSDLNYQXSA-N	0	0	367.380	4.692	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccccc1OCc1cccc(F)c1	ZINC000408594016	570575194	/nfs/dbraw/zinc/57/51/94/570575194.db2.gz	DBLHHPMMNQLAEB-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
CC[C@@H](C)Oc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OC	ZINC000408596754	570576840	/nfs/dbraw/zinc/57/68/40/570576840.db2.gz	UDTONYILUQCNKM-CHOFVFFHSA-N	0	0	372.852	4.948	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCc2ccc(OCC)cc2)cc1	ZINC000225623081	570609657	/nfs/dbraw/zinc/60/96/57/570609657.db2.gz	RYKGWVXMPYQKPU-UHFFFAOYSA-N	0	0	370.518	4.569	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1	ZINC000225705023	570609899	/nfs/dbraw/zinc/60/98/99/570609899.db2.gz	XPPKJDRPZPGIMO-FQEVSTJZSA-N	0	0	368.502	4.624	40	30		FJEBRN
C/C(=C/N1CCN(c2ccc(Cl)cc2)[C@H](C)C1)C(=O)c1ccccc1	ZINC000005373440	570624696	/nfs/dbraw/zinc/62/46/96/570624696.db2.gz	ARDCRVXWCKCOQA-YHKKIHSWSA-N	0	0	354.881	4.637	40	30		FJEBRN
CCc1ccccc1/N=C1/NC(=O)/C(=C\c2cn(C)c3ccccc23)S1	ZINC000005376636	570625462	/nfs/dbraw/zinc/62/54/62/570625462.db2.gz	YQTYLSSUUFTZBG-XDHOZWIPSA-N	0	0	361.470	4.632	40	30		FJEBRN
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(F)cc1	ZINC000005376999	570625583	/nfs/dbraw/zinc/62/55/83/570625583.db2.gz	AFHCHAYUDNNZPQ-AUWJEWJLSA-N	0	0	350.777	4.510	40	30		FJEBRN
CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1	ZINC000005551666	570630323	/nfs/dbraw/zinc/63/03/23/570630323.db2.gz	WKWLYNXRNUHCBD-PDGQHHTCSA-N	0	0	352.459	4.594	40	30		FJEBRN
CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1	ZINC000035291644	570637925	/nfs/dbraw/zinc/63/79/25/570637925.db2.gz	BCHZACSZRWZGQF-UHFFFAOYSA-N	0	0	366.417	4.619	40	30		FJEBRN
CCOC(=O)C1=C(C)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)s1	ZINC000001084993	570642388	/nfs/dbraw/zinc/64/23/88/570642388.db2.gz	JPZCTSVFFQFAFK-LJQANCHMSA-N	0	0	374.502	4.905	40	30		FJEBRN
CCn1c2ccccc2nc1NN=C(C)c1ccc(Br)cc1	ZINC000408692198	570649229	/nfs/dbraw/zinc/64/92/29/570649229.db2.gz	GWZXNMQKLRIMFH-NDENLUEZSA-N	0	0	357.255	4.655	40	30		FJEBRN
CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccccc2C#N)o1	ZINC000408692416	570649715	/nfs/dbraw/zinc/64/97/15/570649715.db2.gz	MANHLCBGQMFYGS-OEAKJJBVSA-N	0	0	355.401	4.634	40	30		FJEBRN
Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)c1	ZINC000001773782	570652955	/nfs/dbraw/zinc/65/29/55/570652955.db2.gz	BTOOWVIIIMBARW-UHFFFAOYSA-N	0	0	354.475	4.605	40	30		FJEBRN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl	ZINC000003264558	570658918	/nfs/dbraw/zinc/65/89/18/570658918.db2.gz	QCNCDWOHSXVJGS-QGMBQPNBSA-N	0	0	358.681	4.967	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1	ZINC000408709259	570660823	/nfs/dbraw/zinc/66/08/23/570660823.db2.gz	QXRQIZJGQVOSJK-UHFFFAOYSA-N	0	0	362.514	4.669	40	30		FJEBRN
O=C(/C=C/c1ccc2c(c1)OCO2)c1cccc(N2Cc3ccccc3C2)c1	ZINC000408718623	570673106	/nfs/dbraw/zinc/67/31/06/570673106.db2.gz	KOPCCICKLNBBKI-CSKARUKUSA-N	0	0	369.420	4.832	40	30		FJEBRN
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(Cl)cc2)C1=O	ZINC000408726694	570679871	/nfs/dbraw/zinc/67/98/71/570679871.db2.gz	URTIGBKKCOOKQI-LDADJPATSA-N	0	0	367.832	4.526	40	30		FJEBRN
COc1ccc(NN=C2C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1	ZINC000408727325	570680217	/nfs/dbraw/zinc/68/02/17/570680217.db2.gz	ZYHUPUBERJUYEO-GFMRDNFCSA-N	0	0	358.397	4.523	40	30		FJEBRN
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c1C	ZINC000408775750	570685832	/nfs/dbraw/zinc/68/58/32/570685832.db2.gz	JMYRRFPFPHOSDY-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNN(c1ccccc1)c1ccccc1	ZINC000408742244	570687940	/nfs/dbraw/zinc/68/79/40/570687940.db2.gz	VNRHUZXWSNMTGK-ZRZWOPFXSA-N	0	0	368.440	4.849	40	30		FJEBRN
Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408742618	570688261	/nfs/dbraw/zinc/68/82/61/570688261.db2.gz	WVRWVWQVASJSNB-LFVJCYFKSA-N	0	0	360.505	4.977	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)SC1=S	ZINC000408807645	570688663	/nfs/dbraw/zinc/68/86/63/570688663.db2.gz	DCCJPKLAEHQJJG-ATVHPVEESA-N	0	0	360.548	4.997	40	30		FJEBRN
CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC	ZINC000009195365	570692649	/nfs/dbraw/zinc/69/26/49/570692649.db2.gz	OWVWNGCDVCCOAU-KEBDBYFISA-N	0	0	353.249	4.524	40	30		FJEBRN
CC(C)n1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21	ZINC000408899089	570696534	/nfs/dbraw/zinc/69/65/34/570696534.db2.gz	SRNRPPJAXPIPDU-UHFFFAOYSA-N	0	0	374.484	4.923	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1cc(C)ccc1C	ZINC000408907430	570696990	/nfs/dbraw/zinc/69/69/90/570696990.db2.gz	NNEDPIJVTDJTBJ-KDWIEBRMSA-N	0	0	352.459	4.633	40	30		FJEBRN
C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	ZINC000408903570	570697506	/nfs/dbraw/zinc/69/75/06/570697506.db2.gz	ZVVBFDCKVWDNLS-HMMYKYKNSA-N	0	0	355.441	4.942	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1cc(C)ccc1C	ZINC000408908250	570698040	/nfs/dbraw/zinc/69/80/40/570698040.db2.gz	QSDNGEIPCOBUHR-KDWIEBRMSA-N	0	0	352.459	4.633	40	30		FJEBRN
CC/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC	ZINC000408930071	570700391	/nfs/dbraw/zinc/70/03/91/570700391.db2.gz	RRWNQEXRRREWNS-YYUDZJCFSA-N	0	0	360.866	4.912	40	30		FJEBRN
C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N1C	ZINC000408930392	570700752	/nfs/dbraw/zinc/70/07/52/570700752.db2.gz	WKISGHAISVGEJY-DOGHIQQUSA-N	0	0	367.518	4.749	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	ZINC000408946181	570701679	/nfs/dbraw/zinc/70/16/79/570701679.db2.gz	YJRMWISDFPHQOM-RIYZIHGNSA-N	0	0	362.212	4.889	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21	ZINC000408937707	570701682	/nfs/dbraw/zinc/70/16/82/570701682.db2.gz	JNMCQRVGCBTMQY-LDADJPATSA-N	0	0	361.372	4.874	40	30		FJEBRN
CCOc1ccc(C=NNc2ccc(C(F)(F)F)cc2)c(OCC)c1	ZINC000408942225	570702034	/nfs/dbraw/zinc/70/20/34/570702034.db2.gz	WUVQHWIHUJPAMN-UUYOSTAYSA-N	0	0	352.356	4.949	40	30		FJEBRN
COc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1	ZINC000408955582	570702455	/nfs/dbraw/zinc/70/24/55/570702455.db2.gz	XTGCUAHOMAMKLX-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)C)c3C)S2)cc1	ZINC000408960959	570703282	/nfs/dbraw/zinc/70/32/82/570703282.db2.gz	KJGRKTSUSOQXKA-WOJGMQOQSA-N	0	0	369.490	4.586	40	30		FJEBRN
CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1	ZINC000408961291	570703783	/nfs/dbraw/zinc/70/37/83/570703783.db2.gz	MILXWSWAHCRKAN-HTMJNSLASA-N	0	0	370.449	4.895	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)cc2C)c1	ZINC000408961954	570703860	/nfs/dbraw/zinc/70/38/60/570703860.db2.gz	VYYJGHOFXHOCSR-LPYMAVHISA-N	0	0	356.853	4.786	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)c1	ZINC000408968135	570705068	/nfs/dbraw/zinc/70/50/68/570705068.db2.gz	UKGHMKYDWYGMKY-LFVJCYFKSA-N	0	0	360.457	4.890	40	30		FJEBRN
N#CCOc1ccccc1-c1nc(=O)c2c3c(sc2[nH]1)CCCCCC3	ZINC000408997379	570709521	/nfs/dbraw/zinc/70/95/21/570709521.db2.gz	GNFHPJZAFLDDJN-UHFFFAOYSA-N	0	0	365.458	4.625	40	30		FJEBRN
COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1	ZINC000409015242	570713454	/nfs/dbraw/zinc/71/34/54/570713454.db2.gz	ZAVQJCVVAMTGQI-XKZIYDEJSA-N	0	0	352.821	4.976	40	30		FJEBRN
COc1ccc(Cl)cc1NC=CC(=O)c1cccc(Br)c1	ZINC000409051135	570716783	/nfs/dbraw/zinc/71/67/83/570716783.db2.gz	AMAFRNPMVGYFNY-BQYQJAHWSA-N	0	0	366.642	4.920	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O	ZINC000409064575	570718084	/nfs/dbraw/zinc/71/80/84/570718084.db2.gz	HMYSXURZOSRLFP-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
C=CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409064184	570718094	/nfs/dbraw/zinc/71/80/94/570718094.db2.gz	CIRBZMAQFLYDPS-SRZZPIQSSA-N	0	0	365.311	4.624	40	30		FJEBRN
Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C)cn1	ZINC000409069337	570719280	/nfs/dbraw/zinc/71/92/80/570719280.db2.gz	XHTPBAFRKPHARA-KIBLKLHPSA-N	0	0	373.382	4.657	40	30		FJEBRN
CC(C)(C)c1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(C(C)(C)C)c1O	ZINC000409071394	570719294	/nfs/dbraw/zinc/71/92/94/570719294.db2.gz	RBSNXUPOBQTDRU-WSDLNYQXSA-N	0	0	370.453	4.736	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C	ZINC000409072129	570719538	/nfs/dbraw/zinc/71/95/38/570719538.db2.gz	ILNPGACPZQCWRU-WQRHYEAKSA-N	0	0	353.491	4.633	40	30		FJEBRN
Cc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc(C(F)(F)F)cn1	ZINC000409070235	570719561	/nfs/dbraw/zinc/71/95/61/570719561.db2.gz	LCXRJVPQXRQVJG-WYMPLXKRSA-N	0	0	362.399	4.845	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O	ZINC000409073781	570719847	/nfs/dbraw/zinc/71/98/47/570719847.db2.gz	IMEHDGCWDRWYDO-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O	ZINC000409073533	570719909	/nfs/dbraw/zinc/71/99/09/570719909.db2.gz	ZSFMSSBDWYTBNE-HGLKBHAMSA-N	0	0	351.855	4.740	40	30		FJEBRN
Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1	ZINC000409096334	570722964	/nfs/dbraw/zinc/72/29/64/570722964.db2.gz	JSASKIVDQLHLMN-MYKKPKGFSA-N	0	0	358.367	4.954	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O	ZINC000409098697	570723446	/nfs/dbraw/zinc/72/34/46/570723446.db2.gz	OSVABNVDUKWREG-CPNJWEJPSA-N	0	0	366.486	4.879	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(N3CCOCC3)cc2C)c(Br)c1	ZINC000409098075	570723634	/nfs/dbraw/zinc/72/36/34/570723634.db2.gz	IFSBAOZJTSXNHU-BKUYFWCQSA-N	0	0	373.294	4.653	40	30		FJEBRN
C=CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OC	ZINC000409110743	570725266	/nfs/dbraw/zinc/72/52/66/570725266.db2.gz	GGSHTTFSJBNJQS-UHFFFAOYSA-N	0	0	353.462	4.999	40	30		FJEBRN
C=CCOc1ccc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OCC	ZINC000409112197	570725591	/nfs/dbraw/zinc/72/55/91/570725591.db2.gz	FGMKYCZMNQXWCV-CYVLTUHYSA-N	0	0	363.457	4.947	40	30		FJEBRN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O	ZINC000409106702	570726633	/nfs/dbraw/zinc/72/66/33/570726633.db2.gz	SSTUUHNCTCMPDQ-SCWWSTLWSA-N	0	0	372.877	4.973	40	30		FJEBRN
C[C@H]1CCCC(=CNc2ccc(Br)cc2Br)C1=O	ZINC000409182322	570737152	/nfs/dbraw/zinc/73/71/52/570737152.db2.gz	KOPJPAZNBDNYMQ-CUQRQBARSA-N	0	0	373.088	4.897	40	30		FJEBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1	ZINC000409368875	570753791	/nfs/dbraw/zinc/75/37/91/570753791.db2.gz	QRKJHHYVMSZGJN-SDNWHVSQSA-N	0	0	361.353	4.686	40	30		FJEBRN
CSc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1	ZINC000409404415	570757962	/nfs/dbraw/zinc/75/79/62/570757962.db2.gz	LEZZNJLLQSMMPG-UHFFFAOYSA-N	0	0	371.465	4.668	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Cl)s1	ZINC000409405497	570758000	/nfs/dbraw/zinc/75/80/00/570758000.db2.gz	NZIJAWIJFDTVQA-UHFFFAOYSA-N	0	0	365.845	4.661	40	30		FJEBRN
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(O)c3)c2C)cc1	ZINC000100212095	570759545	/nfs/dbraw/zinc/75/95/45/570759545.db2.gz	RGZSGFRXCRFKMA-OEAKJJBVSA-N	0	0	362.429	4.727	40	30		FJEBRN
O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)ccc1Cl	ZINC000013230360	570775518	/nfs/dbraw/zinc/77/55/18/570775518.db2.gz	LDNSHDXPYBFIKX-RGVLZGJSSA-N	0	0	366.764	4.907	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC)cc1	ZINC000105451091	570777555	/nfs/dbraw/zinc/77/75/55/570777555.db2.gz	XKISKGKQUZQSMK-UHFFFAOYSA-N	0	0	362.514	4.671	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC	ZINC000008570810	570795953	/nfs/dbraw/zinc/79/59/53/570795953.db2.gz	IVTFLNNMSZWOIT-UDWIEESQSA-N	0	0	358.235	4.529	40	30		FJEBRN
N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccc(F)cc1	ZINC000225889128	570804682	/nfs/dbraw/zinc/80/46/82/570804682.db2.gz	UURFZECEHAJOJJ-UHFFFAOYSA-N	0	0	357.841	4.934	40	30		FJEBRN
CC(C)c1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N	ZINC000225892396	570848748	/nfs/dbraw/zinc/84/87/48/570848748.db2.gz	UJQIRHAXUFVPEK-UHFFFAOYSA-N	0	0	353.278	4.653	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC	ZINC000014400372	570854974	/nfs/dbraw/zinc/85/49/74/570854974.db2.gz	DIMKFGNPSRMHNJ-UHFFFAOYSA-N	0	0	364.214	4.578	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	ZINC000017417623	570872868	/nfs/dbraw/zinc/87/28/68/570872868.db2.gz	LFBAQAZMHWRBDK-LJQANCHMSA-N	0	0	361.357	4.672	40	30		FJEBRN
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1	ZINC000018009602	570874065	/nfs/dbraw/zinc/87/40/65/570874065.db2.gz	BIZPYDZJGRXSQV-GHVJWSGMSA-N	0	0	362.393	4.952	40	30		FJEBRN
C[C@H]1CCc2c(sc3ncnc(N=NCc4ccc(Cl)cc4)c23)C1	ZINC000031851595	571056119	/nfs/dbraw/zinc/05/61/19/571056119.db2.gz	SWYIRPDKBLMFEC-LAIOCUFKSA-N	0	0	356.882	4.916	40	30		FJEBRN
CCCCC(=O)Nc1ccc(/N=C/c2cccc(OCC)c2O)cc1OC	ZINC000032115585	571057034	/nfs/dbraw/zinc/05/70/34/571057034.db2.gz	ZWJIBDNXSOVHQQ-HYARGMPZSA-N	0	0	370.449	4.679	40	30		FJEBRN
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000066088917	571076029	/nfs/dbraw/zinc/07/60/29/571076029.db2.gz	FZFLSHLTHQEGKP-LJQANCHMSA-N	0	0	367.489	4.632	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc12	ZINC000034145677	571085651	/nfs/dbraw/zinc/08/56/51/571085651.db2.gz	GSTHOXKWZBXNEH-CPNJWEJPSA-N	0	0	360.438	4.740	40	30		FJEBRN
Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1	ZINC000058826505	571086505	/nfs/dbraw/zinc/08/65/05/571086505.db2.gz	GPPCBXYGQIFCKJ-UUYOSTAYSA-N	0	0	368.458	4.802	40	30		FJEBRN
CC(C)COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1	ZINC000059105787	571087588	/nfs/dbraw/zinc/08/75/88/571087588.db2.gz	BKRJIKCUDFFNFG-WOJGMQOQSA-N	0	0	370.449	4.752	40	30		FJEBRN
O=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)O2	ZINC000059193554	571088180	/nfs/dbraw/zinc/08/81/80/571088180.db2.gz	MOUVMNUUXACZIN-UHFFFAOYSA-N	0	0	373.246	4.577	40	30		FJEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)c(C)c1	ZINC000059459399	571089200	/nfs/dbraw/zinc/08/92/00/571089200.db2.gz	LWKLJINYPKJIIS-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1	ZINC000059461347	571089538	/nfs/dbraw/zinc/08/95/38/571089538.db2.gz	YEGPUHDBIISOIX-LNSJNNGNSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1cc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O	ZINC000059461361	571089653	/nfs/dbraw/zinc/08/96/53/571089653.db2.gz	ODHMODHQVHTDJX-HUWVGRHQSA-N	0	0	368.414	4.591	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c1O	ZINC000059461334	571089718	/nfs/dbraw/zinc/08/97/18/571089718.db2.gz	MSRFKKQYYFGFHH-DTWZCYEPSA-N	0	0	368.414	4.591	40	30		FJEBRN
CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000079793618	571091755	/nfs/dbraw/zinc/09/17/55/571091755.db2.gz	PDVBJOFBNYIZJE-KZJFZMNRSA-N	0	0	356.506	4.862	40	30		FJEBRN
C=CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000059520228	571091988	/nfs/dbraw/zinc/09/19/88/571091988.db2.gz	ADRMJZUAEHWZHR-UHFFFAOYSA-N	0	0	352.478	4.746	40	30		FJEBRN
C=CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=S	ZINC000006503183	571103766	/nfs/dbraw/zinc/10/37/66/571103766.db2.gz	UDWOQLUHIBVSAP-SDNWHVSQSA-N	0	0	359.497	4.818	40	30		FJEBRN
CCS[C@H](C)CC1CC(=O)C(C(CC)=NOC/C=C/Cl)C(=O)C1	ZINC000254289950	571139797	/nfs/dbraw/zinc/13/97/97/571139797.db2.gz	SILSDTWXNBZOGF-WPDMGAFHSA-N	0	0	359.919	4.844	40	30		FJEBRN
CCS[C@H](C)CC1CC(=O)C(C(CC)=NOC/C=C/Cl)C(=O)C1	ZINC000254289948	571139813	/nfs/dbraw/zinc/13/98/13/571139813.db2.gz	SILSDTWXNBZOGF-VIIHFURLSA-N	0	0	359.919	4.844	40	30		FJEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2	ZINC000019460719	571140772	/nfs/dbraw/zinc/14/07/72/571140772.db2.gz	JGESHDRSJPUELM-AOMKIAJQSA-N	0	0	357.469	4.578	40	30		FJEBRN
C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1	ZINC000216829438	571148256	/nfs/dbraw/zinc/14/82/56/571148256.db2.gz	NXQSWKIILCFNKC-UHFFFAOYSA-N	0	0	364.800	4.800	40	30		FJEBRN
C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1	ZINC000216829286	571148263	/nfs/dbraw/zinc/14/82/63/571148263.db2.gz	KMKSRLJKSCIMKX-UHFFFAOYSA-N	0	0	364.800	4.800	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000219642810	571174939	/nfs/dbraw/zinc/17/49/39/571174939.db2.gz	TWLACZHDHCOSNW-IBGZPJMESA-N	0	0	351.446	4.592	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1	ZINC000219641250	571174981	/nfs/dbraw/zinc/17/49/81/571174981.db2.gz	UCTYUYWJEBJXPI-NRFANRHFSA-N	0	0	353.462	4.777	40	30		FJEBRN
C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(NC(C)=O)cc1	ZINC000105523113	571199200	/nfs/dbraw/zinc/19/92/00/571199200.db2.gz	WSLHFAQQHMYLCE-XTQSDGFTSA-N	0	0	363.486	4.902	40	30		FJEBRN
Cc1ccc(COc2cccc(C=NNc3nc4ccccc4n3C)c2)cc1	ZINC000007343414	571298831	/nfs/dbraw/zinc/29/88/31/571298831.db2.gz	PEGBULKMYMFMKA-BUVRLJJBSA-N	0	0	370.456	4.907	40	30		FJEBRN
Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)c(C)c1	ZINC000008368835	571301142	/nfs/dbraw/zinc/30/11/42/571301142.db2.gz	PPLSKWCXPUUOMA-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
C=CCOc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1	ZINC000020241953	571304930	/nfs/dbraw/zinc/30/49/30/571304930.db2.gz	OSLNOWWDRTXFEO-UHFFFAOYSA-N	0	0	365.857	4.916	40	30		FJEBRN
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000033762659	571310661	/nfs/dbraw/zinc/31/06/61/571310661.db2.gz	WTMPQEAKKSCJMR-LBPRGKRZSA-N	0	0	370.832	4.989	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2O)C(=O)N1C	ZINC000038361081	571310766	/nfs/dbraw/zinc/31/07/66/571310766.db2.gz	JNITWBXTSXXALD-SMSCYPBYSA-N	0	0	372.877	4.842	40	30		FJEBRN
Cc1cc(C)nc(N=NCc2ccc(Sc3ccc(Cl)cc3)o2)n1	ZINC000034859345	571310799	/nfs/dbraw/zinc/31/07/99/571310799.db2.gz	YMUUJUDEWCWJSR-GRSHGNNSSA-N	0	0	358.854	4.937	40	30		FJEBRN
CCOC(=O)c1cccc(/N=C\c2cc(F)c(N3CCCC3)cc2C)c1	ZINC000108158139	571310983	/nfs/dbraw/zinc/31/09/83/571310983.db2.gz	QSWAVZMMOHGNSH-UCQKPKSFSA-N	0	0	354.425	4.662	40	30		FJEBRN
CCOc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408766825	571319398	/nfs/dbraw/zinc/31/93/98/571319398.db2.gz	SJUKESCZBMNMMT-HBFSDRIKSA-N	0	0	361.401	4.692	40	30		FJEBRN
CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OCC	ZINC000408982472	571319457	/nfs/dbraw/zinc/31/94/57/571319457.db2.gz	XZOXGVBQMBQERB-UHFFFAOYSA-N	0	0	373.456	4.806	40	30		FJEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2s1	ZINC000010964727	571321684	/nfs/dbraw/zinc/32/16/84/571321684.db2.gz	WSQQQHUQFAKCES-UHFFFAOYSA-N	0	0	359.863	4.552	40	30		FJEBRN
COc1cc(C#N)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000011801939	571321998	/nfs/dbraw/zinc/32/19/98/571321998.db2.gz	YWXKYXNZIZYGGT-UHFFFAOYSA-N	0	0	352.615	4.562	40	30		FJEBRN
N#Cc1cc(Br)ccc1OCc1ccc(Br)cc1	ZINC000011948294	571322175	/nfs/dbraw/zinc/32/21/75/571322175.db2.gz	TYJLHSLMUAWKET-UHFFFAOYSA-N	0	0	367.040	4.662	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1	ZINC000225762921	571338192	/nfs/dbraw/zinc/33/81/92/571338192.db2.gz	VDSKHKFLQCSDGV-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C#N	ZINC000225798610	571338341	/nfs/dbraw/zinc/33/83/41/571338341.db2.gz	GAIMMJAFZBERCG-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC(C)CC1	ZINC000225834766	571338522	/nfs/dbraw/zinc/33/85/22/571338522.db2.gz	KWMXNBZAPJWKTK-UHFFFAOYSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225832594	571338533	/nfs/dbraw/zinc/33/85/33/571338533.db2.gz	FAJAIBHLIWGGNX-IERDGZPVSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCCC1	ZINC000225830843	571338543	/nfs/dbraw/zinc/33/85/43/571338543.db2.gz	IPSGWXRWVYRXSF-MRXNPFEDSA-N	0	0	358.482	4.804	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225832641	571338548	/nfs/dbraw/zinc/33/85/48/571338548.db2.gz	FAJAIBHLIWGGNX-KKSFZXQISA-N	0	0	358.482	4.517	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C#N	ZINC000225851751	571338749	/nfs/dbraw/zinc/33/87/49/571338749.db2.gz	BKBLRONRLCBXJE-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1	ZINC000219641327	210175562	/nfs/dbraw/zinc/17/55/62/210175562.db2.gz	UCTYUYWJEBJXPI-OAQYLSRUSA-N	0	0	353.462	4.777	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Br)c1	ZINC000216817812	210160177	/nfs/dbraw/zinc/16/01/77/210160177.db2.gz	DTXPVDGUWMYVNJ-UHFFFAOYSA-N	0	0	361.235	4.679	40	30		FJEBRN
COc1ccccc1NC(=S)N/C(=N\c1ccccc1)c1ccccc1	ZINC000008036198	210097016	/nfs/dbraw/zinc/09/70/16/210097016.db2.gz	VYHTYIMDDIRXFB-UHFFFAOYSA-N	0	0	361.470	4.760	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1	ZINC000225761473	222866754	/nfs/dbraw/zinc/86/67/54/222866754.db2.gz	QRVREORALVYULQ-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C#N	ZINC000225832562	222873054	/nfs/dbraw/zinc/87/30/54/222873054.db2.gz	UEHONGFZKAFSOO-KKSFZXQISA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225854872	222874922	/nfs/dbraw/zinc/87/49/22/222874922.db2.gz	UDOLYPKJVXFNHL-HTAPYJJXSA-N	0	0	372.509	4.907	40	30		FJEBRN
COc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1	ZINC000225853071	222875429	/nfs/dbraw/zinc/87/54/29/222875429.db2.gz	UUCTWWQOYUZWAS-UHFFFAOYSA-N	0	0	365.502	4.517	40	30		FJEBRN
CC(C=NN1C(=S)N=NC1c1ccc(Cl)cc1)=Cc1ccccc1	ZINC000002266127	219434839	/nfs/dbraw/zinc/43/48/39/219434839.db2.gz	KFFLDGCWIGVHPU-XKSGRZMBSA-N	0	0	354.866	4.825	40	30		FJEBRN
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000001673596	204016496	/nfs/dbraw/zinc/01/64/96/204016496.db2.gz	DKDMFHJMQAAUII-MBTFPLFFSA-N	0	0	362.485	4.788	40	30		FJEBRN
Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCCCCCCC2=O)cc1	ZINC000001767864	204017837	/nfs/dbraw/zinc/01/78/37/204017837.db2.gz	WKROSNASDKHTEZ-LJQANCHMSA-N	0	0	352.496	4.553	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1Cl	ZINC000001740650	204018409	/nfs/dbraw/zinc/01/84/09/204018409.db2.gz	USMGBUYIRJSYPG-OEAKJJBVSA-N	0	0	359.816	4.599	40	30		FJEBRN
Fc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1	ZINC000002360314	204035883	/nfs/dbraw/zinc/03/58/83/204035883.db2.gz	VPWBKNJDKQBJOX-UWVJOHFNSA-N	0	0	367.236	4.562	40	30		FJEBRN
CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004217668	204127767	/nfs/dbraw/zinc/12/77/67/204127767.db2.gz	AFBZBYQKIMBONK-RNXAVOFCSA-N	0	0	362.485	4.788	40	30	in-vitro	FJEBRN
COc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1	ZINC000005376431	204206100	/nfs/dbraw/zinc/20/61/00/204206100.db2.gz	FEQNJVQNLYHNKQ-UNOMPAQXSA-N	0	0	360.438	4.740	40	30		FJEBRN
Cc1cccc2c1C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2	ZINC000005328357	204203343	/nfs/dbraw/zinc/20/33/43/204203343.db2.gz	PIEYZMIRGFSWBW-LTGZKZEYSA-N	0	0	368.393	4.600	40	30		FJEBRN
COc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1	ZINC000035289032	204222561	/nfs/dbraw/zinc/22/25/61/204222561.db2.gz	KBJXNUFLYBPJIC-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2Cl)cc1	ZINC000006032876	204235128	/nfs/dbraw/zinc/23/51/28/204235128.db2.gz	UMGRSATZPFCQOP-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
Cn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F	ZINC000006072234	204235812	/nfs/dbraw/zinc/23/58/12/204235812.db2.gz	MXCIGSYOLDBUKU-UHFFFAOYSA-N	0	0	363.564	4.998	40	30		FJEBRN
CCOc1ccc(Nc2oc(/C=C/c3ccccc3OC)nc2C#N)cc1	ZINC000006870463	204278675	/nfs/dbraw/zinc/27/86/75/204278675.db2.gz	JHDKJCPAGCXDHQ-MDWZMJQESA-N	0	0	361.401	4.868	40	30		FJEBRN
Clc1cccc(Cl)c1CN/N=C/c1ccc(Br)s1	ZINC000009196724	204358507	/nfs/dbraw/zinc/35/85/07/204358507.db2.gz	LUMYZLZJQZYFGB-OMCISZLKSA-N	0	0	364.095	4.941	40	30		FJEBRN
ONC(=Nc1cccc2ccccc21)C(=Nc1cccc2ccccc21)NO	ZINC000018068432	204659484	/nfs/dbraw/zinc/65/94/84/204659484.db2.gz	JOSNEQPWOBOODP-UHFFFAOYSA-N	0	0	370.412	4.711	40	30		FJEBRN
Cc1cc(NN=C2C(=O)Nc3ccc(Cl)cc32)ccc1Br	ZINC000063845470	205295492	/nfs/dbraw/zinc/29/54/92/205295492.db2.gz	QOUVOVRXNRCTIK-UHFFFAOYSA-N	0	0	364.630	4.829	40	30		FJEBRN
COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1	ZINC000017073070	220202539	/nfs/dbraw/zinc/20/25/39/220202539.db2.gz	RWGCCTDUMGCACU-LLPDMMGZSA-N	0	0	352.459	4.546	40	30		FJEBRN
C(=N\c1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000104392755	206002143	/nfs/dbraw/zinc/00/21/43/206002143.db2.gz	AIYDZRXBGAPSRJ-KRFWEUHSSA-N	0	0	354.453	4.839	40	30		FJEBRN
C=CCSc1nnc(NC(=O)c2ccccc2SC(C)C)s1	ZINC000225857850	206119122	/nfs/dbraw/zinc/11/91/22/206119122.db2.gz	JKHKJUGTWAYYMC-UHFFFAOYSA-N	0	0	351.522	4.569	40	30		FJEBRN
Cc1ccc(NC(=O)[C@@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1	ZINC000000883030	206138629	/nfs/dbraw/zinc/13/86/29/206138629.db2.gz	HSRXIGJKOZMDIV-QGZVFWFLSA-N	0	0	363.848	4.826	40	30		FJEBRN
COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2C)c1O	ZINC000002751407	206157457	/nfs/dbraw/zinc/15/74/57/206157457.db2.gz	LJBSUCYNKHXDEM-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1	ZINC000001354477	206148714	/nfs/dbraw/zinc/14/87/14/206148714.db2.gz	YQDUWSSOCGFVRM-UHFFFAOYSA-N	0	0	362.454	4.559	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(C)c1	ZINC000004125282	206167944	/nfs/dbraw/zinc/16/79/44/206167944.db2.gz	QBGUDNGNENLHKB-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2c1C	ZINC000004849116	206181552	/nfs/dbraw/zinc/18/15/52/206181552.db2.gz	VHVYAOYXVGMZTR-KDOFPFPSSA-N	0	0	367.518	4.510	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1	ZINC000004848916	206181636	/nfs/dbraw/zinc/18/16/36/206181636.db2.gz	OMWBEKUVICUVLV-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
CCN1C(=O)/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21	ZINC000102925096	206230661	/nfs/dbraw/zinc/23/06/61/206230661.db2.gz	HGWYMQSXJVHBMI-PXLXIMEGSA-N	0	0	352.743	4.846	40	30		FJEBRN
COc1ccc(/C(=N/c2cc(C)nn2-c2ccccc2)C(F)(F)F)cc1	ZINC000102924895	206230985	/nfs/dbraw/zinc/23/09/85/206230985.db2.gz	VWDNBUZBLLEHBQ-NKFKGCMQSA-N	0	0	359.351	4.872	40	30		FJEBRN
COc1ccc2[nH]c(=NN=C(c3ccccc3)c3ccccn3)cc(C)c2c1	ZINC000017127494	211180853	/nfs/dbraw/zinc/18/08/53/211180853.db2.gz	NAEJVBUMPICYKC-SLEBQGDGSA-N	0	0	368.440	4.811	40	30		FJEBRN
C=C(C)C(=O)CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc21	ZINC000015120611	211124092	/nfs/dbraw/zinc/12/40/92/211124092.db2.gz	XWVDCVZOOVTJKF-RIYZIHGNSA-N	0	0	352.386	4.790	40	30	endogenous,in-man	FJEBRN
CC1(C)CC(=O)C2=C(C1)N(CC(=O)c1ccccc1)c1ccccc1N=C2	ZINC000013637156	211043863	/nfs/dbraw/zinc/04/38/63/211043863.db2.gz	SUFDTDROLAGHFS-UHFFFAOYSA-N	0	0	358.441	4.735	40	30		FJEBRN
CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1	ZINC000012603351	210976177	/nfs/dbraw/zinc/97/61/77/210976177.db2.gz	OIEQPXQELOTWMY-JTBXLCSZSA-N	0	0	353.466	4.721	40	30		FJEBRN
O=C1c2ccccc2C(=O)C(OCc2ccccc2)=C1OCc1ccccc1	ZINC000001593903	210361815	/nfs/dbraw/zinc/36/18/15/210361815.db2.gz	ZBGCIFHHHQXWEN-UHFFFAOYSA-N	0	0	370.404	4.711	40	30		FJEBRN
COC(=O)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000058871875	221124285	/nfs/dbraw/zinc/12/42/85/221124285.db2.gz	SPWNUKJMCXKBBN-ZVHZXABRSA-N	0	0	356.425	4.744	40	30		FJEBRN
COC(=O)c1cccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)c1	ZINC000058871715	221124328	/nfs/dbraw/zinc/12/43/28/221124328.db2.gz	DERDWSISYZZBHQ-ZVHZXABRSA-N	0	0	356.425	4.744	40	30		FJEBRN
Brc1ccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)cc1	ZINC000100223002	222239463	/nfs/dbraw/zinc/23/94/63/222239463.db2.gz	NSQNSLYZMMDEFQ-JAIQZWGSSA-N	0	0	369.218	4.719	40	30		FJEBRN
COC(=O)c1ccccc1NC=CC(=O)c1ccc(Br)cc1	ZINC000100958821	222257828	/nfs/dbraw/zinc/25/78/28/222257828.db2.gz	CSBIBDUKKFWBDB-GAZRNQOFSA-N	0	0	360.207	4.537	40	30		FJEBRN
Cc1cc(C)n(/C(=N\c2ccc(Br)cc2)c2ccccc2)n1	ZINC000101636906	222279227	/nfs/dbraw/zinc/27/92/27/222279227.db2.gz	LUPPCEHNOIHKCA-ZZEZOPTASA-N	0	0	354.251	4.889	40	30		FJEBRN
O=C(C(=NNc1ccccc1)C(=S)Nc1ccccc1)c1ccccc1	ZINC000102900622	222313776	/nfs/dbraw/zinc/31/37/76/222313776.db2.gz	YTHWCAALYYVHDG-CLCOLTQESA-N	0	0	359.454	4.777	40	30		FJEBRN
CN(/N=C/c1ccccc1)C(c1ccccc1)N(C)/N=C/c1ccccc1	ZINC000001694284	263144362	/nfs/dbraw/zinc/14/43/62/263144362.db2.gz	OTAJGECFDSUQPP-SIHVKLMXSA-N	0	0	356.473	4.617	40	30		FJEBRN
COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	ZINC000020762477	263382934	/nfs/dbraw/zinc/38/29/34/263382934.db2.gz	LBAAYAIPDYZVCG-ZVHZXABRSA-N	0	0	367.880	4.880	40	30		FJEBRN
COc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1	ZINC000059105083	263416824	/nfs/dbraw/zinc/41/68/24/263416824.db2.gz	NNNOPJHUQWVXBA-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
COc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)ccc1O	ZINC000059462030	263419732	/nfs/dbraw/zinc/41/97/32/263419732.db2.gz	WQJYRVYLDTYCLF-FSJBWODESA-N	0	0	364.367	4.770	40	30		FJEBRN
C=CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl	ZINC000408572743	263474230	/nfs/dbraw/zinc/47/42/30/263474230.db2.gz	RXOBGDUDKYDHKE-INIZCTEOSA-N	0	0	356.809	4.795	40	30		FJEBRN
CC(=O)c1ccc(N=Cc2cc(Br)c(N3CCCC3)o2)cc1	ZINC000408844545	263500992	/nfs/dbraw/zinc/50/09/92/263500992.db2.gz	DNUNHIYQNYIQTK-YBFXNURJSA-N	0	0	361.239	4.596	40	30		FJEBRN
C=CCn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21	ZINC000408900710	263505823	/nfs/dbraw/zinc/50/58/23/263505823.db2.gz	ZYRVDSUAVPMKJS-UHFFFAOYSA-N	0	0	372.468	4.528	40	30		FJEBRN
C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl	ZINC000408938521	263508784	/nfs/dbraw/zinc/50/87/84/263508784.db2.gz	KTGZDUXXDPLJNA-SFQUDFHCSA-N	0	0	352.821	4.711	40	30		FJEBRN
COc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1	ZINC000408955306	263510192	/nfs/dbraw/zinc/51/01/92/263510192.db2.gz	WVJZTPXILBEYIZ-CHHVJCJISA-N	0	0	359.017	4.564	40	30		FJEBRN
CCCOc1ccc2ccccc2c1-c1c(C#N)c(N)nc2c1CCCC2	ZINC000408981145	263514555	/nfs/dbraw/zinc/51/45/55/263514555.db2.gz	UWCSSPMLGURHKE-UHFFFAOYSA-N	0	0	357.457	4.854	40	30		FJEBRN
C=CCn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21	ZINC000409029622	263518363	/nfs/dbraw/zinc/51/83/63/263518363.db2.gz	BCYJMSXPFHIWOT-LIMNOBDPSA-N	0	0	367.268	4.541	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=C2/c3ccccc3N(CC)C2=O)cc1OC	ZINC000409109769	263526584	/nfs/dbraw/zinc/52/65/84/263526584.db2.gz	KXUAVPFCWPBCQX-WJDWOHSUSA-N	0	0	369.848	4.821	40	30		FJEBRN
C#CCOc1c(CC=C)cc(CNc2ccc(OCC)cc2)cc1OCC	ZINC000409119806	263528529	/nfs/dbraw/zinc/52/85/29/263528529.db2.gz	QKMCCCICQQHGOW-UHFFFAOYSA-N	0	0	365.473	4.837	40	30		FJEBRN
O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2)ccc1Sc1ncccn1	ZINC000409122165	263530197	/nfs/dbraw/zinc/53/01/97/263530197.db2.gz	ZURYXWPIVPUODP-NHDPSOOVSA-N	0	0	370.821	4.940	40	30		FJEBRN
Fc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1	ZINC000409133233	263532265	/nfs/dbraw/zinc/53/22/65/263532265.db2.gz	PKRUFVXGWLEKGY-NHDPSOOVSA-N	0	0	353.224	4.720	40	30		FJEBRN
Cc1cccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c1C	ZINC000409209679	263541875	/nfs/dbraw/zinc/54/18/75/263541875.db2.gz	HSYFVUMZVSSYEM-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
CSc1cccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)c1	ZINC000409330984	263548978	/nfs/dbraw/zinc/54/89/78/263548978.db2.gz	NVLCXZXCWHPCFT-CXUHLZMHSA-N	0	0	368.508	4.686	40	30		FJEBRN
Cc1cc(C)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)c1	ZINC000409406008	263556650	/nfs/dbraw/zinc/55/66/50/263556650.db2.gz	PPXZZZZJOFXWTO-UHFFFAOYSA-N	0	0	367.452	4.871	40	30		FJEBRN
C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225044157	518809640	/nfs/dbraw/zinc/80/96/40/518809640.db2.gz	OHKLYMIERBUCTF-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224933728	518811982	/nfs/dbraw/zinc/81/19/82/518811982.db2.gz	SXHSXORVRSOVNR-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224721140	518812620	/nfs/dbraw/zinc/81/26/20/518812620.db2.gz	PXPDCONYWMPGBS-UHFFFAOYSA-N	0	0	365.882	4.509	40	30		FJEBRN
C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1	ZINC000224664111	518813879	/nfs/dbraw/zinc/81/38/79/518813879.db2.gz	APAVVJVTOZSFDD-UHFFFAOYSA-N	0	0	365.454	4.860	40	30		FJEBRN
C=CCN(c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224933644	518820191	/nfs/dbraw/zinc/82/01/91/518820191.db2.gz	NAXWWRBXEWMRIG-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1	ZINC000225447690	519058689	/nfs/dbraw/zinc/05/86/89/519058689.db2.gz	NYKROIPHYPSGBQ-UHFFFAOYSA-N	0	0	356.491	4.525	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCc2cccc3ccccc32)s1	ZINC000225515675	519084537	/nfs/dbraw/zinc/08/45/37/519084537.db2.gz	KCDDGGDPZWFOGC-UHFFFAOYSA-N	0	0	355.488	4.541	40	30		FJEBRN
C=CCSc1nnc(NC(=O)c2cc3c(ccc4ccccc34)o2)s1	ZINC000225832164	519090756	/nfs/dbraw/zinc/09/07/56/519090756.db2.gz	JHCJAINJTBGMMA-UHFFFAOYSA-N	0	0	367.455	4.968	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC	ZINC000224958787	519128127	/nfs/dbraw/zinc/12/81/27/519128127.db2.gz	ZCMPLLCXXHFGCG-UHFFFAOYSA-N	0	0	350.462	4.666	40	30		FJEBRN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000253501279	519757172	/nfs/dbraw/zinc/75/71/72/519757172.db2.gz	QLMXZKMIBONXSF-SRCVIQECSA-N	0	0	354.490	4.926	40	30		FJEBRN
CCCCOc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1	ZINC000005466212	520871518	/nfs/dbraw/zinc/87/15/18/520871518.db2.gz	XXZADINKNZPHNZ-YYDJUVGSSA-N	0	0	374.440	4.870	40	30		FJEBRN
CN(c1ccccc1)c1ccc(/C=N\NC(=S)Cc2ccccc2)cc1	ZINC000035188648	523653275	/nfs/dbraw/zinc/65/32/75/523653275.db2.gz	OOYHVPKFAOMUCI-QJOMJCCJSA-N	0	0	359.498	4.948	40	30		FJEBRN
CN(/N=C/c1ccccc1)C(c1ccccc1)N(C)/N=C\c1ccccc1	ZINC000004758780	523769473	/nfs/dbraw/zinc/76/94/73/523769473.db2.gz	OTAJGECFDSUQPP-ZFQRDYFNSA-N	0	0	356.473	4.617	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O	ZINC000208220240	534846468	/nfs/dbraw/zinc/84/64/68/534846468.db2.gz	BXBXHRDZBVRVBK-MFVBVHDHSA-N	0	0	356.491	4.631	40	30		FJEBRN
Oc1ccccc1CN=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1	ZINC000005002835	526370166	/nfs/dbraw/zinc/37/01/66/526370166.db2.gz	FTAGIHWNRWFQTE-LFVJCYFKSA-N	0	0	366.424	4.962	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1	ZINC000034791488	570438406	/nfs/dbraw/zinc/43/84/06/570438406.db2.gz	IUKYONVIRMBPHT-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1cccc(/C=N/c2ccc(Br)c(C(F)(F)F)c2)c1O	ZINC000000805789	570457546	/nfs/dbraw/zinc/45/75/46/570457546.db2.gz	JSLGLZVZRNVCLU-DNTJNYDQSA-N	0	0	374.156	4.933	40	30		FJEBRN
O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000040893300	570500574	/nfs/dbraw/zinc/50/05/74/570500574.db2.gz	RTGGPWNKWRVMGB-GWPSIESESA-N	0	0	357.438	4.890	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F	ZINC000100424732	570503954	/nfs/dbraw/zinc/50/39/54/570503954.db2.gz	XZKOELJOFVHXRS-UHFFFAOYSA-N	0	0	354.037	4.584	40	30		FJEBRN
O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(O)c(Cl)c1	ZINC000408529104	570509296	/nfs/dbraw/zinc/50/92/96/570509296.db2.gz	HCNSYNWRDYCVOR-ZSOIEALJSA-N	0	0	365.241	4.591	40	30		FJEBRN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCCCC3)sc2C1	ZINC000014194686	570518574	/nfs/dbraw/zinc/51/85/74/570518574.db2.gz	SKRXZQQIKICORR-HNNXBMFYSA-N	0	0	373.566	4.585	40	30		FJEBRN
CC/C(=N\CC/N=C(/CC)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000104234034	570521032	/nfs/dbraw/zinc/52/10/32/570521032.db2.gz	IEEGTJOOPSZWJO-KDMDJZHMSA-N	0	0	352.478	4.813	40	30		FJEBRN
O=c1oc2ccccc2cc1-c1csc(N=NC[C@H]2CC=CCC2)n1	ZINC000254828684	570524663	/nfs/dbraw/zinc/52/46/63/570524663.db2.gz	UGHGKIWJIWQYMO-ZDUSSCGKSA-N	0	0	351.431	4.671	40	30		FJEBRN
COc1ccc(/C=N/c2ccc(Br)cc2)cc1Br	ZINC000002878945	570542187	/nfs/dbraw/zinc/54/21/87/570542187.db2.gz	MFEDHMDGQBBFMG-RQZCQDPDSA-N	0	0	369.056	4.971	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C#N)c1	ZINC000225834923	570544013	/nfs/dbraw/zinc/54/40/13/570544013.db2.gz	UUEQKONELFJBIB-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(N3CCOCC3)cc2)C1	ZINC000408563075	570555715	/nfs/dbraw/zinc/55/57/15/570555715.db2.gz	IGBLOAQWXCNUJE-GVJQPLCZSA-N	0	0	356.510	4.624	40	30		FJEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccccc2)c1	ZINC000408590629	570568023	/nfs/dbraw/zinc/56/80/23/570568023.db2.gz	HHPGPELNLCNTRB-HYARGMPZSA-N	0	0	362.385	4.725	40	30		FJEBRN
N#Cc1ccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)cc1Cl	ZINC000005002060	570574654	/nfs/dbraw/zinc/57/46/54/570574654.db2.gz	COAOOWCOYOSKHH-UHFFFAOYSA-N	0	0	358.184	4.772	40	30		FJEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccccc3)o2)c1	ZINC000408594088	570575185	/nfs/dbraw/zinc/57/51/85/570575185.db2.gz	SBZUTZZTIBSDMD-XDHOZWIPSA-N	0	0	354.387	4.890	40	30		FJEBRN
C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCC	ZINC000408594517	570575630	/nfs/dbraw/zinc/57/56/30/570575630.db2.gz	HWRIBFAMKAKDPG-BUVRLJJBSA-N	0	0	364.445	4.635	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1cccn1-c1cccc(C(F)(F)F)c1	ZINC000408596796	570576698	/nfs/dbraw/zinc/57/66/98/570576698.db2.gz	UZKCUNLTGADOBW-DHRITJCHSA-N	0	0	369.346	4.918	40	30		FJEBRN
CC(C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1	ZINC000408601268	570579562	/nfs/dbraw/zinc/57/95/62/570579562.db2.gz	JMLJCLUNOQPUMT-UUYOSTAYSA-N	0	0	351.475	4.855	40	30		FJEBRN
C=CCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1	ZINC000408603114	570580029	/nfs/dbraw/zinc/58/00/29/570580029.db2.gz	ATUIMXOXPCLOPB-UHFFFAOYSA-N	0	0	363.211	4.534	40	30		FJEBRN
C#CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br	ZINC000408611510	570581346	/nfs/dbraw/zinc/58/13/46/570581346.db2.gz	SPIQJBLZEUIKPE-UHFFFAOYSA-N	0	0	368.633	4.866	40	30		FJEBRN
C=CCNC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc23)o1	ZINC000408626336	570592522	/nfs/dbraw/zinc/59/25/22/570592522.db2.gz	WPTYYLXMNZNCLJ-UHFFFAOYSA-N	0	0	370.408	4.754	40	30		FJEBRN
CC1(C)CC(=O)C(C(c2ccccn2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000005260975	570623141	/nfs/dbraw/zinc/62/31/41/570623141.db2.gz	QTFNTMNGSJRXPW-UHFFFAOYSA-N	0	0	369.461	4.568	40	30		FJEBRN
C=CCO/N=C(\CCC)C1=C(OC)C[C@H](C[C@@H](C)SCC)CC1=O	ZINC000005417228	570626707	/nfs/dbraw/zinc/62/67/07/570626707.db2.gz	UQZVHDPICKDZDC-RQZSCTENSA-N	0	0	353.528	4.756	40	30		FJEBRN
CCc1nnc(C2=C([O-])C(=Cc3ccc(C(C)C)cc3)SC2=N)s1	ZINC000137136061	570630648	/nfs/dbraw/zinc/63/06/48/570630648.db2.gz	BDJFXAWIHWCEAX-LIJALFLSSA-N	0	0	357.504	4.642	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1	ZINC000005775878	570635674	/nfs/dbraw/zinc/63/56/74/570635674.db2.gz	NMNFFYMZWTXQNH-OEAKJJBVSA-N	0	0	359.816	4.599	40	30		FJEBRN
N#C[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1	ZINC000006574986	570649688	/nfs/dbraw/zinc/64/96/88/570649688.db2.gz	BSXCMSZGKZFGJP-QFIPXVFZSA-N	0	0	356.425	4.995	40	30		FJEBRN
O=C1CSC(=S)N1/N=C/c1c2ccccc2c(Cl)c2ccccc12	ZINC000003280290	570659380	/nfs/dbraw/zinc/65/93/80/570659380.db2.gz	UIQFQHOOYWACPA-AWQFTUOYSA-N	0	0	370.886	4.841	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(CC)cc1	ZINC000408707014	570659630	/nfs/dbraw/zinc/65/96/30/570659630.db2.gz	HTJABBJTGYXHLC-UHFFFAOYSA-N	0	0	374.569	4.902	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000408709360	570661182	/nfs/dbraw/zinc/66/11/82/570661182.db2.gz	RGZDIWZQOGTXHV-UHFFFAOYSA-N	0	0	372.431	4.901	40	30		FJEBRN
Oc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1O	ZINC000408718515	570673065	/nfs/dbraw/zinc/67/30/65/570673065.db2.gz	UGOWXCOHZGWLLV-LPYMAVHISA-N	0	0	357.369	4.565	40	30		FJEBRN
Cn1cc(-c2ccc(CCO[C@@H]3CCCCO3)cc2)c2c1cccc2C#N	ZINC000005580217	570676559	/nfs/dbraw/zinc/67/65/59/570676559.db2.gz	JTXWFGCXVHYEDK-JOCHJYFZSA-N	0	0	360.457	4.803	40	30		FJEBRN
Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c1	ZINC000408777519	570686000	/nfs/dbraw/zinc/68/60/00/570686000.db2.gz	BEJHJRMNTPHQJB-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000408779165	570686782	/nfs/dbraw/zinc/68/67/82/570686782.db2.gz	AYQRWHNURHVGBE-UUYOSTAYSA-N	0	0	367.380	4.901	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(C=Nc3cccc(C(C)=O)c3)c2C)cc1	ZINC000408740946	570687711	/nfs/dbraw/zinc/68/77/11/570687711.db2.gz	FKRNKBFLPYXFAA-ZVHZXABRSA-N	0	0	374.440	4.834	40	30		FJEBRN
Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)o1	ZINC000408750395	570689171	/nfs/dbraw/zinc/68/91/71/570689171.db2.gz	MIDZLIVWMLVTMV-JMIUGGIZSA-N	0	0	356.769	4.658	40	30		FJEBRN
Cc1c(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1C	ZINC000408814224	570689540	/nfs/dbraw/zinc/68/95/40/570689540.db2.gz	QQUIPSSPIPIJAU-WQRHYEAKSA-N	0	0	365.433	4.517	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(/N=C\c2ccc(N3CCCCC3)cc2)c1	ZINC000408847119	570691540	/nfs/dbraw/zinc/69/15/40/570691540.db2.gz	PHRKEDKKHOODDP-HMAPJEAMSA-N	0	0	356.853	4.868	40	30		FJEBRN
CCOc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1	ZINC000408845579	570691545	/nfs/dbraw/zinc/69/15/45/570691545.db2.gz	HTFVUZOEXKXKGW-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1	ZINC000408856978	570693024	/nfs/dbraw/zinc/69/30/24/570693024.db2.gz	IVINIMGIVKISOK-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O	ZINC000408866586	570693848	/nfs/dbraw/zinc/69/38/48/570693848.db2.gz	HAIHAQXTLVPRPC-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1	ZINC000408875210	570694313	/nfs/dbraw/zinc/69/43/13/570694313.db2.gz	HINPTUQLZKXPHE-WQRHYEAKSA-N	0	0	370.449	4.752	40	30		FJEBRN
Cc1c(Cl)cccc1/N=C/c1ccc(O)c(I)c1	ZINC000408905076	570696511	/nfs/dbraw/zinc/69/65/11/570696511.db2.gz	SSHMGAYASLQDDL-CAOOACKPSA-N	0	0	371.605	4.709	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C(C)C)cc1	ZINC000408912064	570697564	/nfs/dbraw/zinc/69/75/64/570697564.db2.gz	KSHNDDRDZQMZRX-KDWIEBRMSA-N	0	0	352.459	4.713	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1CC	ZINC000408908404	570698063	/nfs/dbraw/zinc/69/80/63/570698063.db2.gz	DUSFAHNBYQIZET-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
CC[C@H](C)Oc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000408910934	570698541	/nfs/dbraw/zinc/69/85/41/570698541.db2.gz	MCCXYWHTUYMVJB-CRRPLPBISA-N	0	0	364.405	4.766	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3cccc(F)c3)cc2)cc1	ZINC000408914914	570698737	/nfs/dbraw/zinc/69/87/37/570698737.db2.gz	ZSRBWGFWHRHWPZ-XKZIYDEJSA-N	0	0	365.364	4.759	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1	ZINC000408916352	570699242	/nfs/dbraw/zinc/69/92/42/570699242.db2.gz	WOCGKTJXEAXZSE-BIXZQSIESA-N	0	0	352.459	4.715	40	30		FJEBRN
Cc1sc(N=NC(C)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1	ZINC000408921527	570699469	/nfs/dbraw/zinc/69/94/69/570699469.db2.gz	AMQLQEAJHMXFCK-UDWIEESQSA-N	0	0	352.419	4.863	40	30		FJEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(-c2ccccc2)cc1	ZINC000408927624	570699833	/nfs/dbraw/zinc/69/98/33/570699833.db2.gz	QSCVMOVPGQYILF-FLFQWRMESA-N	0	0	359.425	4.978	40	30		FJEBRN
CCn1cccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O	ZINC000408938792	570701092	/nfs/dbraw/zinc/70/10/92/570701092.db2.gz	SGPHRRKQTKQQGZ-ZROIWOOFSA-N	0	0	366.273	4.706	40	30		FJEBRN
CC(=O)c1cccc(N=Cc2cc(Br)c(Br)o2)c1	ZINC000408951778	570702003	/nfs/dbraw/zinc/70/20/03/570702003.db2.gz	KBPFHDQJGYEIAN-FRKPEAEDSA-N	0	0	371.028	4.758	40	30		FJEBRN
CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1	ZINC000408961032	570703445	/nfs/dbraw/zinc/70/34/45/570703445.db2.gz	PZYDPPGTCRQAKD-HAVVHWLPSA-N	0	0	350.462	4.994	40	30		FJEBRN
O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccsc1	ZINC000408961862	570703704	/nfs/dbraw/zinc/70/37/04/570703704.db2.gz	OTKJNKBRXMILMV-IZZDOVSWSA-N	0	0	355.271	4.947	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3C)S2)cc1	ZINC000408964412	570704098	/nfs/dbraw/zinc/70/40/98/570704098.db2.gz	GTPIXOMOYGQAFQ-XSFVSMFZSA-N	0	0	373.481	4.986	40	30		FJEBRN
COc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cn1	ZINC000408967504	570705103	/nfs/dbraw/zinc/70/51/03/570705103.db2.gz	SVGHHBCJJJCAOD-CFRMEGHHSA-N	0	0	356.429	4.797	40	30		FJEBRN
C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	ZINC000408973459	570705381	/nfs/dbraw/zinc/70/53/81/570705381.db2.gz	SKNKXIAHCSTEOO-LGMDPLHJSA-N	0	0	372.346	4.600	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000408986944	570708345	/nfs/dbraw/zinc/70/83/45/570708345.db2.gz	NWDLPKWVRWTKNY-NVNXTCNLSA-N	0	0	362.212	4.889	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@@H](C)CC)C1=O	ZINC000409010964	570712157	/nfs/dbraw/zinc/71/21/57/570712157.db2.gz	DZGWINYSBQQGQU-ITRAFESCSA-N	0	0	365.454	4.687	40	30		FJEBRN
COc1ccccc1/N=C/c1cccn1-c1cccc(Br)c1	ZINC000409015025	570713474	/nfs/dbraw/zinc/71/34/74/570713474.db2.gz	RJDMNWRVJRXGNU-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc2n1C	ZINC000409035783	570715556	/nfs/dbraw/zinc/71/55/56/570715556.db2.gz	QQLBQMALKCTNOA-FINSYCMTSA-N	0	0	369.284	4.509	40	30		FJEBRN
C=CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl	ZINC000409046026	570715928	/nfs/dbraw/zinc/71/59/28/570715928.db2.gz	QWKFCGUZSGEMMO-DHDCSXOGSA-N	0	0	367.923	4.762	40	30		FJEBRN
CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1	ZINC000409060206	570717295	/nfs/dbraw/zinc/71/72/95/570717295.db2.gz	YJLUZVXNUJDSAP-RGVLZGJSSA-N	0	0	373.279	4.804	40	30		FJEBRN
COc1cc2c(cc1/C=N\c1ccc(Br)c(Cl)c1)OCO2	ZINC000409064301	570717967	/nfs/dbraw/zinc/71/79/67/570717967.db2.gz	DAOXBYXURAJZNE-WSVATBPTSA-N	0	0	368.614	4.590	40	30		FJEBRN
N#Cc1ccccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)o1	ZINC000409065505	570718570	/nfs/dbraw/zinc/71/85/70/570718570.db2.gz	IXTYRHRNWROWIB-BHGWPJFGSA-N	0	0	356.307	4.678	40	30		FJEBRN
COc1cc(C)c(C=NN2C(=S)N=NC2c2ccccc2)cc1C(C)C	ZINC000409071889	570719466	/nfs/dbraw/zinc/71/94/66/570719466.db2.gz	QGQPKTNRBHUFNZ-CIAFOILYSA-N	0	0	366.490	4.556	40	30		FJEBRN
Cn1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21	ZINC000409073334	570719764	/nfs/dbraw/zinc/71/97/64/570719764.db2.gz	GYYCNKGZDUHXOC-ZVBGSRNCSA-N	0	0	362.311	4.551	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	ZINC000409081870	570720252	/nfs/dbraw/zinc/72/02/52/570720252.db2.gz	QPMNRIPMCQRTKT-AUWJEWJLSA-N	0	0	362.212	4.889	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c1C	ZINC000409093838	570721199	/nfs/dbraw/zinc/72/11/99/570721199.db2.gz	ATRBFMKQEWHVSQ-WQRHYEAKSA-N	0	0	353.491	4.633	40	30		FJEBRN
COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl	ZINC000409104180	570722546	/nfs/dbraw/zinc/72/25/46/570722546.db2.gz	GFNKPLWADYSIKA-AERZKKPOSA-N	0	0	364.154	4.862	40	30		FJEBRN
Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)c(C)c1	ZINC000409098172	570723532	/nfs/dbraw/zinc/72/35/32/570723532.db2.gz	NXERBUMKIZTKFY-WYMPLXKRSA-N	0	0	358.367	4.954	40	30		FJEBRN
COc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1Cl	ZINC000409100944	570724078	/nfs/dbraw/zinc/72/40/78/570724078.db2.gz	WBHIGFRWFOGRNW-LPYMAVHISA-N	0	0	374.868	4.717	40	30		FJEBRN
COc1ccc(CC=CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409108575	570727414	/nfs/dbraw/zinc/72/74/14/570727414.db2.gz	WZHALACROWZQID-QFPUGKHMSA-N	0	0	365.311	4.733	40	30		FJEBRN
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409155171	570733772	/nfs/dbraw/zinc/73/37/72/570733772.db2.gz	CJTYKLYMZPGBOD-WOIUINJBSA-N	0	0	374.440	4.511	40	30		FJEBRN
CCOc1ccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)cc1	ZINC000409188436	570736913	/nfs/dbraw/zinc/73/69/13/570736913.db2.gz	ZEBLDTRTXWVGFB-QRVIBDJDSA-N	0	0	362.429	4.972	40	30		FJEBRN
CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1	ZINC000409208954	570739701	/nfs/dbraw/zinc/73/97/01/570739701.db2.gz	AZJVIBIVWAWCKX-JWGURIENSA-N	0	0	365.454	4.767	40	30		FJEBRN
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2)cc1	ZINC000409202923	570740254	/nfs/dbraw/zinc/74/02/54/570740254.db2.gz	UIIOMZYHGPPGFR-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1C	ZINC000409215607	570741498	/nfs/dbraw/zinc/74/14/98/570741498.db2.gz	CEZCFYCTGZVPER-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1	ZINC000409245540	570745046	/nfs/dbraw/zinc/74/50/46/570745046.db2.gz	VJXKBGIJPCYCIT-KQWNVCNZSA-N	0	0	352.478	4.580	40	30		FJEBRN
C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1	ZINC000409352104	570752425	/nfs/dbraw/zinc/75/24/25/570752425.db2.gz	WDGXCQJSAYSEND-BOPFTXTBSA-N	0	0	371.458	4.796	40	30		FJEBRN
Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(O)cc3)c2)cc1C	ZINC000409385265	570755096	/nfs/dbraw/zinc/75/50/96/570755096.db2.gz	HBTKAUYSODJIKC-ZVHZXABRSA-N	0	0	374.440	4.777	40	30		FJEBRN
Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1	ZINC000409393561	570756223	/nfs/dbraw/zinc/75/62/23/570756223.db2.gz	YNHWWUPYBUQIJG-UHFFFAOYSA-N	0	0	359.337	4.626	40	30		FJEBRN
COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)cc3)cc2)cc1	ZINC000100362470	570760318	/nfs/dbraw/zinc/76/03/18/570760318.db2.gz	IMOVFKISZRMUIX-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C)cc1	ZINC000014123460	570844287	/nfs/dbraw/zinc/84/42/87/570844287.db2.gz	GIEZTIFVDVKGDM-UHFFFAOYSA-N	0	0	365.502	4.952	40	30		FJEBRN
C=CCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC	ZINC000014399432	570849656	/nfs/dbraw/zinc/84/96/56/570849656.db2.gz	MUPLBDBYLKYYGU-UHFFFAOYSA-N	0	0	357.453	4.943	40	30		FJEBRN
Cc1ccc(/N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1	ZINC000016291070	570853760	/nfs/dbraw/zinc/85/37/60/570853760.db2.gz	XBEGKMBQJCSNCI-QEGLIAJSSA-N	0	0	361.195	4.787	40	30		FJEBRN
COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)nc2SC)cc1	ZINC000017005505	570865170	/nfs/dbraw/zinc/86/51/70/570865170.db2.gz	KMWZHFMNOMQDGT-UDWIEESQSA-N	0	0	354.431	4.831	40	30		FJEBRN
COc1ccc(/C=C(\C(=O)c2ccc(O)cc2)c2ccccc2)cc1OC	ZINC000017421656	570872862	/nfs/dbraw/zinc/87/28/62/570872862.db2.gz	NRQNZLFTAAQUHD-ZHZULCJRSA-N	0	0	360.409	4.833	40	30		FJEBRN
CC(=O)Nc1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2	ZINC000018210185	570876618	/nfs/dbraw/zinc/87/66/18/570876618.db2.gz	PEDPYQNBVZXDKH-WYMPLXKRSA-N	0	0	370.408	4.696	40	30		FJEBRN
COc1ccccc1/C=C1\C(=O)ON=C1c1ccc(-c2ccccc2)cc1	ZINC000005746405	570967255	/nfs/dbraw/zinc/96/72/55/570967255.db2.gz	VIQZXTYGKPVQQO-HKWRFOASSA-N	0	0	355.393	4.707	40	30		FJEBRN
Fc1ccc(CN=Nc2nc(-c3ccc(F)cc3)cc(C(F)F)n2)s1	ZINC000252494056	571054837	/nfs/dbraw/zinc/05/48/37/571054837.db2.gz	NJXNZMRMTUGQJT-ODCIPOBUSA-N	0	0	366.343	4.867	40	30		FJEBRN
CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C/c1ccccc1O	ZINC000005522989	571069941	/nfs/dbraw/zinc/06/99/41/571069941.db2.gz	QLNVRAFMVCGAOK-WSDLNYQXSA-N	0	0	354.450	4.628	40	30		FJEBRN
CC1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)CC1	ZINC000225866798	571076098	/nfs/dbraw/zinc/07/60/98/571076098.db2.gz	AHLRBEYOQJMDCJ-UHFFFAOYSA-N	0	0	363.292	4.533	40	30		FJEBRN
CC(C)c1ccc(C=Nn2cnnc2N=NCc2ccc(C(C)C)cc2)cc1	ZINC000033719485	571085212	/nfs/dbraw/zinc/08/52/12/571085212.db2.gz	YPBXTTVFSTWWBA-QTYYJASRSA-N	0	0	374.492	4.853	40	30		FJEBRN
C/N=C1/S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N1C	ZINC000059104666	571087101	/nfs/dbraw/zinc/08/71/01/571087101.db2.gz	JSIKVKSSKUXAOD-ZWXHXAJVSA-N	0	0	373.909	4.588	40	30		FJEBRN
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000059105276	571087391	/nfs/dbraw/zinc/08/73/91/571087391.db2.gz	YBGSCKSECPIPLM-FYJGNVAPSA-N	0	0	368.824	4.856	40	30		FJEBRN
Cc1ccccc1/N=C1/NC(=O)/C(=C/c2c(O)ccc3ccccc32)S1	ZINC000059459387	571089299	/nfs/dbraw/zinc/08/92/99/571089299.db2.gz	QJSLRNIWIWRZJI-UNOMPAQXSA-N	0	0	360.438	4.745	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c1	ZINC000059461354	571089616	/nfs/dbraw/zinc/08/96/16/571089616.db2.gz	HTNUXXRIFPECBX-XENGFHBVSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c1	ZINC000059462028	571090047	/nfs/dbraw/zinc/09/00/47/571090047.db2.gz	WOFQLOHLZZYEBR-FSJBWODESA-N	0	0	364.367	4.770	40	30		FJEBRN
C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc(OCC)c1O	ZINC000059678239	571092430	/nfs/dbraw/zinc/09/24/30/571092430.db2.gz	YNWKTQDRQLZSNQ-WSDLNYQXSA-N	0	0	373.836	4.710	40	30		FJEBRN
C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(OCC)cc1	ZINC000060759995	571092845	/nfs/dbraw/zinc/09/28/45/571092845.db2.gz	UFNJCECVKVPISQ-UHFFFAOYSA-N	0	0	351.475	4.535	40	30		FJEBRN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1O	ZINC000083327426	571100837	/nfs/dbraw/zinc/10/08/37/571100837.db2.gz	LBZJMNRDTFBLEX-JYRVWZFOSA-N	0	0	365.241	4.591	40	30		FJEBRN
COc1ccc([C@@H](C#N)C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1	ZINC000584905868	571106632	/nfs/dbraw/zinc/10/66/32/571106632.db2.gz	QWRPCHCLCDXKRN-OAQYLSRUSA-N	0	0	369.420	4.684	40	30		FJEBRN
N#CCC1(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)CC1	ZINC000594702945	571131589	/nfs/dbraw/zinc/13/15/89/571131589.db2.gz	ZQHKMQALVOHQQH-UHFFFAOYSA-N	0	0	357.816	4.837	40	30		FJEBRN
COc1ccc(C(=NC(=S)NC2CCCCC2)Nc2ccccc2)cc1	ZINC000026504987	571165406	/nfs/dbraw/zinc/16/54/06/571165406.db2.gz	GYVNUUSMJXQMBQ-UHFFFAOYSA-N	0	0	367.518	4.761	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCSCc2ccc(C)cc2)c1	ZINC000219777603	571174998	/nfs/dbraw/zinc/17/49/98/571174998.db2.gz	GRNUCAYIDWGLGE-UHFFFAOYSA-N	0	0	355.503	4.613	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000219808944	571175269	/nfs/dbraw/zinc/17/52/69/571175269.db2.gz	LOGCNSSTMFRNBH-UHFFFAOYSA-N	0	0	363.866	4.888	40	30		FJEBRN
CCOc1ccc(NC(=S)N/N=C2/CCCc3c(C)cc(C)cc32)cc1	ZINC000033958503	571185549	/nfs/dbraw/zinc/18/55/49/571185549.db2.gz	AHQQKQLLKIAWQH-ATJXCDBQSA-N	0	0	367.518	4.729	40	30		FJEBRN
Cc1ccc(-c2nc(N=NCc3ccc([N+](=O)[O-])o3)nc3ccccc32)cc1	ZINC000046085338	571186122	/nfs/dbraw/zinc/18/61/22/571186122.db2.gz	DSTZDNJPNDAURZ-CIAFOILYSA-N	0	0	373.372	4.552	40	30		FJEBRN
C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1	ZINC000006621882	571296907	/nfs/dbraw/zinc/29/69/07/571296907.db2.gz	CZTJVJUDHBVYEM-UHFFFAOYSA-N	0	0	357.866	4.874	40	30		FJEBRN
Cc1cc(Cl)ccc1OCc1nnc(SCc2ccccc2C#N)o1	ZINC000007604784	571299191	/nfs/dbraw/zinc/29/91/91/571299191.db2.gz	GLWSLAQWNXYHEB-UHFFFAOYSA-N	0	0	371.849	4.774	40	30		FJEBRN
C=CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC	ZINC000008811864	571302110	/nfs/dbraw/zinc/30/21/10/571302110.db2.gz	HIQDLLYSGLKEIJ-SRZZPIQSSA-N	0	0	365.260	4.691	40	30		FJEBRN
CCOc1ccc(Br)cc1/C=N/NCc1ccccc1Cl	ZINC000008811801	571302144	/nfs/dbraw/zinc/30/21/44/571302144.db2.gz	IKJRLNXQUBDNSQ-RGVLZGJSSA-N	0	0	367.674	4.625	40	30		FJEBRN
CCCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC	ZINC000010119056	571302830	/nfs/dbraw/zinc/30/28/30/571302830.db2.gz	MBXKMQDYYBHFKH-WSDLNYQXSA-N	0	0	367.276	4.915	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000033407172	571310483	/nfs/dbraw/zinc/31/04/83/571310483.db2.gz	LBWBXBATWYAAST-YWKYIXQJSA-N	0	0	367.430	4.609	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1	ZINC000008362897	571310505	/nfs/dbraw/zinc/31/05/05/571310505.db2.gz	QRQZPVSJVBNZSD-BIXZQSIESA-N	0	0	352.459	4.628	40	30		FJEBRN
COc1ccc2ccccc2c1-c1c(C#N)c(N)ncc1-c1ccccc1	ZINC000408982332	571319469	/nfs/dbraw/zinc/31/94/69/571319469.db2.gz	XQBJFTNUQIIRHX-UHFFFAOYSA-N	0	0	351.409	4.862	40	30		FJEBRN
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O	ZINC000409150146	571319493	/nfs/dbraw/zinc/31/94/93/571319493.db2.gz	ALVFTEFBTSOWTM-UDWIEESQSA-N	0	0	370.433	4.948	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N	ZINC000225750922	571338091	/nfs/dbraw/zinc/33/80/91/571338091.db2.gz	WLBWEXINKDAOCX-UHFFFAOYSA-N	0	0	354.837	4.671	40	30		FJEBRN
CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C#N	ZINC000225823621	571338511	/nfs/dbraw/zinc/33/85/11/571338511.db2.gz	IMPMXKXXIMMRBX-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225832620	571338516	/nfs/dbraw/zinc/33/85/16/571338516.db2.gz	FAJAIBHLIWGGNX-IIBYNOLFSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225854642	571338724	/nfs/dbraw/zinc/33/87/24/571338724.db2.gz	VVAYQOFUCQTFNY-IERDGZPVSA-N	0	0	358.482	4.659	40	30		FJEBRN
C[C@@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc3ccccc32)C1	ZINC000225868207	571338830	/nfs/dbraw/zinc/33/88/30/571338830.db2.gz	LWQVCJGDANXCEY-CALCHBBNSA-N	0	0	358.489	4.626	40	30		FJEBRN
CCCCCCCCOC(=O)c1cccc(NC(=O)c2ccncc2)c1	ZINC000003030679	571343784	/nfs/dbraw/zinc/34/37/84/571343784.db2.gz	XAHSYKGXAQKGMC-UHFFFAOYSA-N	0	0	354.450	4.851	40	30		FJEBRN
C=CCNC(=O)C1(Cc2ccc(-c3ccc(C)cc3C)cc2)CCOCC1	ZINC000257252845	210221377	/nfs/dbraw/zinc/22/13/77/210221377.db2.gz	JWHXGHJKXNEXCL-UHFFFAOYSA-N	0	0	363.501	4.612	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1OC	ZINC000218658329	210175345	/nfs/dbraw/zinc/17/53/45/210175345.db2.gz	OYFBGRQESJVUDD-LJQANCHMSA-N	0	0	365.473	4.764	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC	ZINC000218656784	210174302	/nfs/dbraw/zinc/17/43/02/210174302.db2.gz	HISJNNJEIOBISO-UHFFFAOYSA-N	0	0	351.446	4.997	40	30		FJEBRN
C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(OCC)c1	ZINC000216828641	210161310	/nfs/dbraw/zinc/16/13/10/210161310.db2.gz	NEEKUIHNZCMVRU-UHFFFAOYSA-N	0	0	360.837	4.969	40	30		FJEBRN
C=C(C)c1ccc(C(C)(C)NC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1	ZINC000072238814	210066215	/nfs/dbraw/zinc/06/62/15/210066215.db2.gz	FXRPICIYEZISCW-UHFFFAOYSA-N	0	0	361.449	4.562	40	30		FJEBRN
Cc1cc(F)cc(-n2nc(-c3ccc(Cl)cc3Cl)c(C#N)c2N)c1	ZINC000039955364	210045280	/nfs/dbraw/zinc/04/52/80/210045280.db2.gz	OASIVSOALZGQRT-UHFFFAOYSA-N	0	0	361.207	4.748	40	30		FJEBRN
O=C(Nc1ccccc1Cl)O/N=C(/c1ccccc1)c1ccccn1	ZINC000000829815	219328033	/nfs/dbraw/zinc/32/80/33/219328033.db2.gz	QTUFOQYKTMEPDW-NKFKGCMQSA-N	0	0	351.793	4.736	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C#N)c1	ZINC000225833137	222873635	/nfs/dbraw/zinc/87/36/35/222873635.db2.gz	RAGUOKGYJPPTLW-KKSFZXQISA-N	0	0	358.482	4.661	40	30		FJEBRN
O/N=C\c1cc(Br)ccc1OCc1cccc2ccccc21	ZINC000100250125	203811662	/nfs/dbraw/zinc/81/16/62/203811662.db2.gz	DLHRHJHJHGTEPR-JAIQZWGSSA-N	0	0	356.219	4.989	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)c1	ZINC000219791033	203878094	/nfs/dbraw/zinc/87/80/94/203878094.db2.gz	MGBGQVZUHVDEEL-UHFFFAOYSA-N	0	0	373.836	4.724	40	30		FJEBRN
Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1	ZINC000001773792	204017970	/nfs/dbraw/zinc/01/79/70/204017970.db2.gz	HPTFXVXPZDRKKA-HNNXBMFYSA-N	0	0	368.502	4.851	40	30		FJEBRN
CN(C)c1ccc(/C=N/N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1	ZINC000002170407	204026907	/nfs/dbraw/zinc/02/69/07/204026907.db2.gz	DPNROQKODOXKPL-XHQRYOPUSA-N	0	0	363.292	4.578	40	30		FJEBRN
CN(C)c1ccc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1	ZINC000005520050	204213026	/nfs/dbraw/zinc/21/30/26/204213026.db2.gz	QDJWXJOSVDLZKL-ZHZULCJRSA-N	0	0	373.481	4.797	40	30		FJEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1	ZINC000005551500	204214144	/nfs/dbraw/zinc/21/41/44/204214144.db2.gz	GJXRJQLTXXFVEJ-CPNJWEJPSA-N	0	0	360.438	4.740	40	30		FJEBRN
Brc1ccccc1/C=N/N=C\c1ccccc1Br	ZINC000004974449	204182309	/nfs/dbraw/zinc/18/23/09/204182309.db2.gz	UQXSQQHKLNFMFJ-BUOZRGFLSA-N	0	0	366.056	4.665	40	30		FJEBRN
N#Cc1ccccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1	ZINC000006476568	204249387	/nfs/dbraw/zinc/24/93/87/204249387.db2.gz	KHLUSPPCRWDFSF-UHFFFAOYSA-N	0	0	366.376	4.584	40	30		FJEBRN
Cc1ccc2c(c1)C(=NN=C(C(=O)c1ccccc1)c1ccccc1)C(=O)N2	ZINC000006674789	204261043	/nfs/dbraw/zinc/26/10/43/204261043.db2.gz	KOXSKJPPFOIVHP-LKUDQCMESA-N	0	0	367.408	4.673	40	30		FJEBRN
CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1	ZINC000006869765	204277673	/nfs/dbraw/zinc/27/76/73/204277673.db2.gz	LXSLPZHITNBWPO-AQTBWJFISA-N	0	0	369.465	4.564	40	30		FJEBRN
O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1cccnc1	ZINC000018176683	204662015	/nfs/dbraw/zinc/66/20/15/204662015.db2.gz	QFEPAXZSKNRPNQ-MDWZMJQESA-N	0	0	360.236	4.576	40	30		FJEBRN
Cc1cc(C)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1	ZINC000036020479	205000609	/nfs/dbraw/zinc/00/06/09/205000609.db2.gz	OFUAEVIGDKVLFY-UUYOSTAYSA-N	0	0	354.498	4.840	40	30		FJEBRN
Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCCCCC2)cc1	ZINC000036293402	205009243	/nfs/dbraw/zinc/00/92/43/205009243.db2.gz	MYYYOIPKTHYKOF-UHFFFAOYSA-N	0	0	351.519	4.824	40	30		FJEBRN
C=CCn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1	ZINC000014087881	220104970	/nfs/dbraw/zinc/10/49/70/220104970.db2.gz	CAOFDFPBJYAWJL-UHFFFAOYSA-N	0	0	371.893	4.989	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(F)(F)F	ZINC000225956407	206119493	/nfs/dbraw/zinc/11/94/93/206119493.db2.gz	JVIKTSGYSHEVQT-UHFFFAOYSA-N	0	0	361.363	4.941	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1	ZINC000001223963	206144677	/nfs/dbraw/zinc/14/46/77/206144677.db2.gz	URCHGOJTHZIJOY-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(OC)c1OC	ZINC000003232777	206158808	/nfs/dbraw/zinc/15/88/08/206158808.db2.gz	URWOJIUNNGYCOC-LFVJCYFKSA-N	0	0	374.440	4.584	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2c1	ZINC000001354361	206147662	/nfs/dbraw/zinc/14/76/62/206147662.db2.gz	OCZJXFMCCQLBDU-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc12	ZINC000001354275	206147817	/nfs/dbraw/zinc/14/78/17/206147817.db2.gz	YTZKVPDQVOCCMT-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccccc2C)cc1	ZINC000102648932	206229574	/nfs/dbraw/zinc/22/95/74/206229574.db2.gz	VTXOKUJMMXPQBI-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N	ZINC000225681902	206493478	/nfs/dbraw/zinc/49/34/78/206493478.db2.gz	HIGGPIXWAPBHES-UHFFFAOYSA-N	0	0	366.436	4.935	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@@H](C)C1	ZINC000225833208	206502740	/nfs/dbraw/zinc/50/27/40/206502740.db2.gz	YCOZRJIXAJZZCC-ZOCZFRKYSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCCCCC1	ZINC000225852738	206503421	/nfs/dbraw/zinc/50/34/21/206503421.db2.gz	GAQUDMQHMHWFFA-UHFFFAOYSA-N	0	0	358.482	4.804	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccc(Cl)cc2)nc1	ZINC000017302461	211183329	/nfs/dbraw/zinc/18/33/29/211183329.db2.gz	WLSJBRREDWTPSV-RELWKKBWSA-N	0	0	352.781	4.508	40	30		FJEBRN
CCOC(=O)C(C/N=C/c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000017300742	211182935	/nfs/dbraw/zinc/18/29/35/211182935.db2.gz	LFCZBRMGEVRQSJ-XIEYBQDHSA-N	0	0	357.453	4.655	40	30		FJEBRN
CN(C)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1Br	ZINC000016957844	211174080	/nfs/dbraw/zinc/17/40/80/211174080.db2.gz	MGZDXGBMBNPRFV-PTNGSMBKSA-N	0	0	356.263	4.728	40	30		FJEBRN
CCOc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1	ZINC000006870397	210711922	/nfs/dbraw/zinc/71/19/22/210711922.db2.gz	BOXOBSBGBGWVQX-FQHLDWHWSA-N	0	0	364.470	4.923	40	30		FJEBRN
COc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)c1	ZINC000001103456	210315998	/nfs/dbraw/zinc/31/59/98/210315998.db2.gz	SMCFFCPUBDIKMN-UHFFFAOYSA-N	0	0	350.805	4.958	40	30		FJEBRN
CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCC)c1O	ZINC000100222767	222239895	/nfs/dbraw/zinc/23/98/95/222239895.db2.gz	RMUQUTRLEGFTTO-SSDVNMTOSA-N	0	0	353.340	4.959	40	30		FJEBRN
O/N=C1/CCCCCCCCCC[C@H]1Sc1nnnn1-c1ccccc1	ZINC000100965007	222257943	/nfs/dbraw/zinc/25/79/43/222257943.db2.gz	ABMJTRYZFJGKRL-QUWSGOTNSA-N	0	0	373.526	4.868	40	30		FJEBRN
CC(C)CCN1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O	ZINC000102984993	222317323	/nfs/dbraw/zinc/31/73/23/222317323.db2.gz	AXPBGAVBZISPHH-PYCFMQQDSA-N	0	0	364.474	4.505	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC2=C(Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1	ZINC000104183164	222351980	/nfs/dbraw/zinc/35/19/80/222351980.db2.gz	NYAUQRQETLBWBV-RQDOHCPJSA-N	0	0	366.377	4.929	40	30		FJEBRN
C(=N\c1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1	ZINC000104392761	222357313	/nfs/dbraw/zinc/35/73/13/222357313.db2.gz	AIYDZRXBGAPSRJ-FDJRJZQMSA-N	0	0	354.453	4.839	40	30		FJEBRN
O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000004720907	263336381	/nfs/dbraw/zinc/33/63/81/263336381.db2.gz	OUPIYWLOWVJIGA-JIDPPIHHSA-N	0	0	357.365	4.995	40	30		FJEBRN
COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccccc1	ZINC000005400331	263341245	/nfs/dbraw/zinc/34/12/45/263341245.db2.gz	OJPZUUBEZHCJAW-OEAKJJBVSA-N	0	0	372.428	4.597	40	30		FJEBRN
Cc1ccc(C(=O)O/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1	ZINC000005745534	263343116	/nfs/dbraw/zinc/34/31/16/263343116.db2.gz	HDFFBJNOOQEXIM-QLYXXIJNSA-N	0	0	365.392	4.528	40	30		FJEBRN
C#CCOc1ccc(Br)cc1CNc1ccccc1Cl	ZINC000006021220	263344085	/nfs/dbraw/zinc/34/40/85/263344085.db2.gz	NARJGHFXKQIGLN-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCCC3)sc2C1	ZINC000008471162	263355360	/nfs/dbraw/zinc/35/53/60/263355360.db2.gz	YHPZJSAIPLNRGD-HNNXBMFYSA-N	0	0	373.566	4.585	40	30		FJEBRN
C#CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl	ZINC000009196812	263360325	/nfs/dbraw/zinc/36/03/25/263360325.db2.gz	PHYYVXGURABYAD-UFFVCSGVSA-N	0	0	367.663	4.783	40	30		FJEBRN
CC(C)(C)c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000012381698	263370746	/nfs/dbraw/zinc/37/07/46/263370746.db2.gz	WOBOQOBAWLSSHX-JLPGSUDCSA-N	0	0	369.940	4.789	40	30		FJEBRN
COc1ccccc1CN/N=C/c1ccc(OCc2ccc(C)cc2)cc1	ZINC000020761351	263381378	/nfs/dbraw/zinc/38/13/78/263381378.db2.gz	SYILPMPDOIVUDA-BUVRLJJBSA-N	0	0	360.457	4.706	40	30		FJEBRN
COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1	ZINC000059461348	263419338	/nfs/dbraw/zinc/41/93/38/263419338.db2.gz	YEGPUHDBIISOIX-YZJQUUSSSA-N	0	0	352.415	4.886	40	30		FJEBRN
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	ZINC000408590264	263476608	/nfs/dbraw/zinc/47/66/08/263476608.db2.gz	GZZZRSOBRKCSDO-WSDLNYQXSA-N	0	0	367.380	4.692	40	30		FJEBRN
CCOC(=O)c1ccccc1-n1c(C)cc(C=NNc2ccccc2)c1C	ZINC000408591790	263476797	/nfs/dbraw/zinc/47/67/97/263476797.db2.gz	VDSKDTBHMAHTHM-HZHRSRAPSA-N	0	0	361.445	4.717	40	30		FJEBRN
Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)c1	ZINC000408624763	263483456	/nfs/dbraw/zinc/48/34/56/263483456.db2.gz	ZTTRMIZRLVCBBJ-UHFFFAOYSA-N	0	0	373.387	4.510	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NCc1ccccc1C	ZINC000408708446	263488393	/nfs/dbraw/zinc/48/83/93/263488393.db2.gz	ZXKBAWINMHNJRJ-UHFFFAOYSA-N	0	0	360.542	4.648	40	30		FJEBRN
CCn1c2ccccc2c2cc(CN=Nc3ccc([N+](=O)[O-])cn3)ccc21	ZINC000408910534	263506514	/nfs/dbraw/zinc/50/65/14/263506514.db2.gz	KSNFXXFGSSVDRK-UUYOSTAYSA-N	0	0	359.389	4.564	40	30		FJEBRN
Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1C(C)C	ZINC000408963499	263510888	/nfs/dbraw/zinc/51/08/88/263510888.db2.gz	BXZOTLOJWXJNGN-WOJGMQOQSA-N	0	0	353.491	4.886	40	30		FJEBRN
CCCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1	ZINC000408986324	263514543	/nfs/dbraw/zinc/51/45/43/263514543.db2.gz	BUQSIAKWNMDXAH-UYRXBGFRSA-N	0	0	366.486	4.984	40	30		FJEBRN
COc1ccc(C(C)N=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000409056589	263521723	/nfs/dbraw/zinc/52/17/23/263521723.db2.gz	SCQBUUOADDWNIX-UDWIEESQSA-N	0	0	368.418	4.563	40	30		FJEBRN
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409237762	263545440	/nfs/dbraw/zinc/54/54/40/263545440.db2.gz	LOBMUUDRFHNTNZ-FYJGNVAPSA-N	0	0	373.840	4.998	40	30		FJEBRN
Brc1ccccc1/C=N/N=C/c1ccccc1Br	ZINC000001637958	518223833	/nfs/dbraw/zinc/22/38/33/518223833.db2.gz	UQXSQQHKLNFMFJ-BEQMOXJMSA-N	0	0	366.056	4.665	40	30		FJEBRN
C/C(=N/NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1	ZINC000034687666	518450418	/nfs/dbraw/zinc/45/04/18/518450418.db2.gz	GJNIAAKFYXZIIH-FMCGGJTJSA-N	0	0	361.461	4.973	40	30		FJEBRN
C/C(=N\NC(=S)Nc1ccc(SC(F)F)cc1)c1ccc(C)o1	ZINC000006407356	518463343	/nfs/dbraw/zinc/46/33/43/518463343.db2.gz	KOUIWKMOGOHALA-VXLYETTFSA-N	0	0	355.435	4.613	40	30		FJEBRN
CC(C)(C#N)NC1CCC(C(C)(C)C2CCC(NC(C)(C)C#N)CC2)CC1	ZINC000255189480	518507554	/nfs/dbraw/zinc/50/75/54/518507554.db2.gz	QDARYJJCMWWGKI-UHFFFAOYSA-N	0	0	372.601	4.914	40	30		FJEBRN
C/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N1C	ZINC000223485928	518572678	/nfs/dbraw/zinc/57/26/78/518572678.db2.gz	HLMHJFOEBLXXDP-CXDOZEDNSA-N	0	0	369.534	4.629	40	30		FJEBRN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225045801	518810542	/nfs/dbraw/zinc/81/05/42/518810542.db2.gz	QGPJLAHEPBODDV-UHFFFAOYSA-N	0	0	357.862	4.875	40	30		FJEBRN
C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1	ZINC000225124999	518813961	/nfs/dbraw/zinc/81/39/61/518813961.db2.gz	OHBQYRQLADMNMH-UHFFFAOYSA-N	0	0	371.483	4.922	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCSC2CCCCC2)cc1	ZINC000225358881	519040547	/nfs/dbraw/zinc/04/05/47/519040547.db2.gz	JUHQRIWAWOEYJZ-UHFFFAOYSA-N	0	0	350.553	4.604	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)cc1	ZINC000225633097	519041043	/nfs/dbraw/zinc/04/10/43/519041043.db2.gz	OWXIYUSGLZTVOV-KRWDZBQOSA-N	0	0	354.519	4.807	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1	ZINC000225791529	519057846	/nfs/dbraw/zinc/05/78/46/519057846.db2.gz	PCKWTGYILUPDIJ-QGZVFWFLSA-N	0	0	370.518	4.622	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c1	ZINC000225633202	519058679	/nfs/dbraw/zinc/05/86/79/519058679.db2.gz	MQRRRIRNXVAFJM-QGZVFWFLSA-N	0	0	354.519	4.807	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1	ZINC000225294228	519058762	/nfs/dbraw/zinc/05/87/62/519058762.db2.gz	XTLCRXZRVZGAFU-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1	ZINC000225341574	519086133	/nfs/dbraw/zinc/08/61/33/519086133.db2.gz	USFZWVPNISANRP-UHFFFAOYSA-N	0	0	374.318	4.694	40	30		FJEBRN
C=CCn1c(SCc2ccccc2)nnc1[C@H](C)Oc1ccccc1	ZINC000035682600	519243229	/nfs/dbraw/zinc/24/32/29/519243229.db2.gz	FDJPDSQHLAAMFQ-INIZCTEOSA-N	0	0	351.475	4.896	40	30		FJEBRN
CC(/C=C\c1ccccc1)=N\NC(=S)N/N=C(C)/C=C\c1ccccc1	ZINC000104312581	519348646	/nfs/dbraw/zinc/34/86/46/519348646.db2.gz	HUYRYEFQLRCGGD-NHSMIEOHSA-N	0	0	362.502	4.629	40	30		FJEBRN
COc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC	ZINC000020195857	524017852	/nfs/dbraw/zinc/01/78/52/524017852.db2.gz	SRTMWVNFHMQNDC-YDZHTSKRSA-N	0	0	370.836	4.741	40	30		FJEBRN
CSc1nsc(S/C=C\C(=O)c2cccc(Br)c2)n1	ZINC000016248831	526234207	/nfs/dbraw/zinc/23/42/07/526234207.db2.gz	UWIYULMBWJWGPU-WAYWQWQTSA-N	0	0	373.322	4.511	40	30		FJEBRN
N#CCc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1	ZINC000225306131	526484859	/nfs/dbraw/zinc/48/48/59/526484859.db2.gz	QYXJLHLRWPJDQV-UHFFFAOYSA-N	0	0	350.274	4.546	40	30		FJEBRN
N#Cc1cc(Br)c(OCc2ccccc2)c(Br)c1	ZINC000247646724	570472207	/nfs/dbraw/zinc/47/22/07/570472207.db2.gz	KQRKHVLKOYLHFK-UHFFFAOYSA-N	0	0	367.040	4.662	40	30		FJEBRN
C=CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC	ZINC000408533896	570515244	/nfs/dbraw/zinc/51/52/44/570515244.db2.gz	SWZFTHIILHUQDC-UHFFFAOYSA-N	0	0	365.351	4.921	40	30		FJEBRN
CCCCCCCCCCOC(=O)N1C(=O)NC(=O)[C@H]1c1ccccc1	ZINC000104136804	570520387	/nfs/dbraw/zinc/52/03/87/570520387.db2.gz	MPKPNUYTYIQPJX-QGZVFWFLSA-N	0	0	360.454	4.557	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C#N	ZINC000225830715	570543493	/nfs/dbraw/zinc/54/34/93/570543493.db2.gz	AHJNKWSNKAPYTL-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C	ZINC000408560356	570554728	/nfs/dbraw/zinc/55/47/28/570554728.db2.gz	GXNDWKSRVXCGLX-UHFFFAOYSA-N	0	0	374.554	4.676	40	30		FJEBRN
C=CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl	ZINC000408572746	570557642	/nfs/dbraw/zinc/55/76/42/570557642.db2.gz	RXOBGDUDKYDHKE-MRXNPFEDSA-N	0	0	356.809	4.795	40	30		FJEBRN
CC(C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Br	ZINC000408597438	570577269	/nfs/dbraw/zinc/57/72/69/570577269.db2.gz	ZODBPOCPTURTDQ-SRZZPIQSSA-N	0	0	373.250	4.659	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OCC	ZINC000006959242	570577836	/nfs/dbraw/zinc/57/78/36/570577836.db2.gz	OWAVOCODSPQDHQ-DEDYPNTBSA-N	0	0	358.235	4.610	40	30		FJEBRN
CC(C)COc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408603560	570579957	/nfs/dbraw/zinc/57/99/57/570579957.db2.gz	RSLYUIYYAMBQCG-PDGQHHTCSA-N	0	0	352.459	4.613	40	30		FJEBRN
COC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)c1	ZINC000408618717	570583102	/nfs/dbraw/zinc/58/31/02/570583102.db2.gz	FEDOFHSOWWWWOK-OUKQBFOZSA-N	0	0	359.425	4.777	40	30		FJEBRN
C/C(=N\n1c(=O)c2ccccc2nc1-c1ccccc1)c1ccc(C)cc1	ZINC000005329547	570623430	/nfs/dbraw/zinc/62/34/30/570623430.db2.gz	XDEXXXDLPPIXEU-KOEQRZSOSA-N	0	0	353.425	4.644	40	30		FJEBRN
C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC	ZINC000408659268	570623524	/nfs/dbraw/zinc/62/35/24/570623524.db2.gz	KKLQDKLSGXGJKD-IZZDOVSWSA-N	0	0	370.832	4.655	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O	ZINC000005376514	570625570	/nfs/dbraw/zinc/62/55/70/570625570.db2.gz	NILFJTSDFAQUDH-ATVHPVEESA-N	0	0	370.861	4.796	40	30		FJEBRN
Oc1ccc(Br)cc1/C=N/c1ccccc1N1CCCCC1	ZINC000006615559	570650242	/nfs/dbraw/zinc/65/02/42/570650242.db2.gz	ZTFVRKKPPBJVJO-DEDYPNTBSA-N	0	0	359.267	4.896	40	30		FJEBRN
O=C(Nc1ccc(F)cc1)O/N=C(\c1ccccc1)[C@H](O)c1ccccc1	ZINC000006618332	570650581	/nfs/dbraw/zinc/65/05/81/570650581.db2.gz	HKTBBAHNZLGJQH-FIPQWBAWSA-N	0	0	364.376	4.512	40	30		FJEBRN
Cc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1	ZINC000005376305	570650775	/nfs/dbraw/zinc/65/07/75/570650775.db2.gz	AYNBSAZPAOVWTL-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)o1	ZINC000006922169	570657027	/nfs/dbraw/zinc/65/70/27/570657027.db2.gz	QCUPNTDEMJIXLV-PDGQHHTCSA-N	0	0	374.352	4.508	40	30		FJEBRN
C=CCc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1OC	ZINC000408705339	570658386	/nfs/dbraw/zinc/65/83/86/570658386.db2.gz	CNXXNAXRLWEYTI-UHFFFAOYSA-N	0	0	361.894	4.599	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1	ZINC000408707409	570658817	/nfs/dbraw/zinc/65/88/17/570658817.db2.gz	AIKLJEREJKXZJP-UHFFFAOYSA-N	0	0	352.906	4.844	40	30		FJEBRN
Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12	ZINC000004849047	570670268	/nfs/dbraw/zinc/67/02/68/570670268.db2.gz	LRATVBHDNYOMDW-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
COc1cccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1O	ZINC000408718134	570672463	/nfs/dbraw/zinc/67/24/63/570672463.db2.gz	LLTYSNZJWHVUKI-OEAKJJBVSA-N	0	0	371.396	4.868	40	30		FJEBRN
CCCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)c(OCCC)c1	ZINC000005019930	570677040	/nfs/dbraw/zinc/67/70/40/570677040.db2.gz	PQYIKHMUGHXMLG-XSFVSMFZSA-N	0	0	357.410	4.618	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(C)c1	ZINC000408737626	570684749	/nfs/dbraw/zinc/68/47/49/570684749.db2.gz	FDBJBGNHIKFCTR-MFOYZWKCSA-N	0	0	372.877	4.857	40	30		FJEBRN
Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1	ZINC000408782652	570686926	/nfs/dbraw/zinc/68/69/26/570686926.db2.gz	IIHRDRLZGIBMLE-JJIBRWJFSA-N	0	0	359.473	4.681	40	30		FJEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)C)cc1	ZINC000408789849	570687289	/nfs/dbraw/zinc/68/72/89/570687289.db2.gz	RZKGPAOLKRDADX-HXUWFJFHSA-N	0	0	373.452	4.551	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(C(C)=O)cc3)c2C)cc1	ZINC000408740363	570687553	/nfs/dbraw/zinc/68/75/53/570687553.db2.gz	BJFSNNMBHSZSPS-ZVHZXABRSA-N	0	0	374.440	4.834	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1CC	ZINC000408786807	570687808	/nfs/dbraw/zinc/68/78/08/570687808.db2.gz	WFGWMZVSYQJOIJ-JLZFKDTQSA-N	0	0	371.481	4.545	40	30		FJEBRN
O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1	ZINC000408809136	570688681	/nfs/dbraw/zinc/68/86/81/570688681.db2.gz	IEYJUTJPDZRIGS-UNOMPAQXSA-N	0	0	370.206	4.899	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C	ZINC000408818614	570689419	/nfs/dbraw/zinc/68/94/19/570689419.db2.gz	XQCHKRGTPPVGII-MYYYXRDXSA-N	0	0	372.468	4.749	40	30		FJEBRN
C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1	ZINC000408818002	570689438	/nfs/dbraw/zinc/68/94/38/570689438.db2.gz	OPGKVFHYQPQQDS-UYRXBGFRSA-N	0	0	365.454	4.660	40	30		FJEBRN
COC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1	ZINC000408819042	570689522	/nfs/dbraw/zinc/68/95/22/570689522.db2.gz	XVNQFZWADRQNEG-HAHDFKILSA-N	0	0	361.397	4.781	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@@H]3C=CC[C@@H]23)c1	ZINC000008936532	570689950	/nfs/dbraw/zinc/68/99/50/570689950.db2.gz	OOLPSPFENZMUGE-BXNVFWRBSA-N	0	0	359.804	4.597	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1	ZINC000408876112	570694746	/nfs/dbraw/zinc/69/47/46/570694746.db2.gz	MYKXNCLWTUGLIT-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408906180	570697053	/nfs/dbraw/zinc/69/70/53/570697053.db2.gz	ASYAQVVEZGTVGH-YWKYIXQJSA-N	0	0	367.430	4.609	40	30		FJEBRN
C=CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC	ZINC000408912465	570697492	/nfs/dbraw/zinc/69/74/92/570697492.db2.gz	QWWMARPLHZJERQ-UHFFFAOYSA-N	0	0	368.816	4.766	40	30		FJEBRN
FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc3c(c2)OCO3)c1	ZINC000408932104	570701060	/nfs/dbraw/zinc/70/10/60/570701060.db2.gz	UCKIEVAJFURQBS-KSEXSDGBSA-N	0	0	358.319	4.975	40	30		FJEBRN
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1c(F)cccc1Cl	ZINC000408967913	570705119	/nfs/dbraw/zinc/70/51/19/570705119.db2.gz	YAJUSCDRTBOYJL-RIYZIHGNSA-N	0	0	350.777	4.510	40	30		FJEBRN
C=CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OC	ZINC000408982772	570707242	/nfs/dbraw/zinc/70/72/42/570707242.db2.gz	ZAQJBFPVIWXLKV-UHFFFAOYSA-N	0	0	371.440	4.582	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O	ZINC000408992971	570708602	/nfs/dbraw/zinc/70/86/02/570708602.db2.gz	VHXLPAHGDOOPJU-PDGQHHTCSA-N	0	0	352.459	4.594	40	30		FJEBRN
Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(Br)cc1	ZINC000408996464	570708975	/nfs/dbraw/zinc/70/89/75/570708975.db2.gz	PGCNAFVOZJQGHO-NDENLUEZSA-N	0	0	369.266	4.698	40	30		FJEBRN
C=CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1	ZINC000409006486	570711387	/nfs/dbraw/zinc/71/13/87/570711387.db2.gz	JXVUBVDUPBWGOH-CYVLTUHYSA-N	0	0	365.454	4.530	40	30		FJEBRN
COc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1	ZINC000409017278	570713099	/nfs/dbraw/zinc/71/30/99/570713099.db2.gz	YGIAMCRLPRDDSX-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1C	ZINC000409064222	570718128	/nfs/dbraw/zinc/71/81/28/570718128.db2.gz	CQOOWBWNFQZHFW-YBEGLDIGSA-N	0	0	359.882	4.670	40	30		FJEBRN
C=CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000409072349	570719369	/nfs/dbraw/zinc/71/93/69/570719369.db2.gz	VCJLYLNDCMQDJY-KGENOOAVSA-N	0	0	352.390	4.647	40	30		FJEBRN
N#Cc1c2c(sc1/N=C/c1ccc(Sc3ncccn3)o1)CCCC2	ZINC000409092200	570722026	/nfs/dbraw/zinc/72/20/26/570722026.db2.gz	WLWYBORTFQSCNB-SSDVNMTOSA-N	0	0	366.471	4.783	40	30		FJEBRN
Cn1cccc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O	ZINC000409097982	570723499	/nfs/dbraw/zinc/72/34/99/570723499.db2.gz	JSHJYOUZBOZHPK-HGRLKPHYSA-N	0	0	371.550	4.963	40	30		FJEBRN
Fc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1N1CCOCC1	ZINC000409132949	570730699	/nfs/dbraw/zinc/73/06/99/570730699.db2.gz	PNQNUJNOCBIJMD-NHDPSOOVSA-N	0	0	353.224	4.720	40	30		FJEBRN
C[C@@H]1CCCC(=CNc2ccc(Br)cc2Br)C1=O	ZINC000409182324	570737168	/nfs/dbraw/zinc/73/71/68/570737168.db2.gz	KOPJPAZNBDNYMQ-URLRMUCDSA-N	0	0	373.088	4.897	40	30		FJEBRN
CC(C)/N=C1\S/C(=C/c2ccccc2Br)C(=O)N1C(C)C	ZINC000409210911	570741034	/nfs/dbraw/zinc/74/10/34/570741034.db2.gz	LPERCLQPKDQHAE-WZMAMLOKSA-N	0	0	367.312	4.538	40	30		FJEBRN
COc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000409212101	570741067	/nfs/dbraw/zinc/74/10/67/570741067.db2.gz	QCINTWUBSNVWQI-BUVRLJJBSA-N	0	0	374.440	4.772	40	30		FJEBRN
CCN1C(=O)/C(=C\c2sccc2C)S/C1=N/c1ccc(OC)cc1	ZINC000409241627	570745754	/nfs/dbraw/zinc/74/57/54/570745754.db2.gz	KRSNMGFHYXUOKK-FLXQFUDPSA-N	0	0	358.488	4.689	40	30		FJEBRN
C/N=C1\S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C(=O)N1C	ZINC000409243369	570746239	/nfs/dbraw/zinc/74/62/39/570746239.db2.gz	VXQRMPOWCMWPRP-QTBWCZOLSA-N	0	0	354.500	4.678	40	30		FJEBRN
Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccn1	ZINC000409254374	570746720	/nfs/dbraw/zinc/74/67/20/570746720.db2.gz	WYZMHRFRYDBLSM-SRZZPIQSSA-N	0	0	354.797	4.801	40	30		FJEBRN
CN(c1ccccc1)c1ccc(/C=N/N=c2\sc3ccccc3n2C)cc1	ZINC000012551738	570750232	/nfs/dbraw/zinc/75/02/32/570750232.db2.gz	ZEQGKJKXUCZRQG-NGAXQJCKSA-N	0	0	372.497	4.943	40	30		FJEBRN
NC(=O)Cn1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c2ccccc21	ZINC000409386645	570756756	/nfs/dbraw/zinc/75/67/56/570756756.db2.gz	WCNDBRRMQKZTIW-AFUMVMLFSA-N	0	0	368.440	4.621	40	30		FJEBRN
COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	ZINC000100349880	570760335	/nfs/dbraw/zinc/76/03/35/570760335.db2.gz	XVLLYSLXVKYPBO-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1cccc(F)c1	ZINC000225889114	570804868	/nfs/dbraw/zinc/80/48/68/570804868.db2.gz	TYWSMVIGYUXPPN-UHFFFAOYSA-N	0	0	357.841	4.934	40	30		FJEBRN
COc1cc(C=NNc2ccc(Br)cc2)cc(Cl)c1OC	ZINC000015008839	570828869	/nfs/dbraw/zinc/82/88/69/570828869.db2.gz	AHIINNGCEVGAAY-GIJQJNRQSA-N	0	0	369.646	4.566	40	30		FJEBRN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCCCC3)sc2C1	ZINC000014194685	570845376	/nfs/dbraw/zinc/84/53/76/570845376.db2.gz	SKRXZQQIKICORR-OAHLLOKOSA-N	0	0	373.566	4.585	40	30		FJEBRN
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118931310	570870999	/nfs/dbraw/zinc/87/09/99/570870999.db2.gz	OXHFKWFVXTYEGN-ODIOEEMWSA-N	0	0	374.565	4.514	40	30		FJEBRN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1	ZINC000021356098	570929848	/nfs/dbraw/zinc/92/98/48/570929848.db2.gz	AXVAXTZHXKFHSN-JOCHJYFZSA-N	0	0	360.457	4.850	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N	ZINC000225681820	571055508	/nfs/dbraw/zinc/05/55/08/571055508.db2.gz	VPUVIHSSYWVFDJ-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225841343	571073152	/nfs/dbraw/zinc/07/31/52/571073152.db2.gz	RXFYZCDWIIJOFD-NRFANRHFSA-N	0	0	360.498	4.763	40	30		FJEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CCOc2ccc(Cl)cc2)cc1	ZINC000225862952	571075900	/nfs/dbraw/zinc/07/59/00/571075900.db2.gz	DJTXQOXSNKLCNE-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
N#CC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1	ZINC000225898916	571078389	/nfs/dbraw/zinc/07/83/89/571078389.db2.gz	BEUGVHGFMDCEFG-UHFFFAOYSA-N	0	0	363.804	4.802	40	30		FJEBRN
Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1C	ZINC000059105835	571087447	/nfs/dbraw/zinc/08/74/47/571087447.db2.gz	QQUIPSSPIPIJAU-WOJGMQOQSA-N	0	0	365.433	4.517	40	30		FJEBRN
C/N=C1/S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C	ZINC000059105116	571087683	/nfs/dbraw/zinc/08/76/83/571087683.db2.gz	TXCGWLNKJZHLOZ-CZXVDXGMSA-N	0	0	367.257	4.785	40	30		FJEBRN
Cc1c(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c2ccccc2n1C	ZINC000059248606	571088574	/nfs/dbraw/zinc/08/85/74/571088574.db2.gz	BEPBEVDDYFHAFR-XDHOZWIPSA-N	0	0	361.470	4.687	40	30		FJEBRN
CC(=O)c1cccc(N=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1	ZINC000059427119	571090673	/nfs/dbraw/zinc/09/06/73/571090673.db2.gz	DGKQPXMIRBJZQE-LPYMAVHISA-N	0	0	361.401	4.956	40	30		FJEBRN
CCOc1cc(C=NNc2ccccc2)cc(Br)c1OCC	ZINC000082251788	571098192	/nfs/dbraw/zinc/09/81/92/571098192.db2.gz	AJGNCNHWCPLIJJ-XDHOZWIPSA-N	0	0	363.255	4.693	40	30		FJEBRN
C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(NC(C)=O)cc1	ZINC000001466443	571123909	/nfs/dbraw/zinc/12/39/09/571123909.db2.gz	WSLHFAQQHMYLCE-UHFFFAOYSA-O	0	0	364.494	4.899	40	30		FJEBRN
Oc1c(C=Nc2ccc(I)cc2)ccc2ccccc12	ZINC000260840524	571124222	/nfs/dbraw/zinc/12/42/22/571124222.db2.gz	ADXBIGOSCFZVRF-UHFFFAOYSA-N	0	0	373.193	4.901	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCc1ccc(OCC)c(OCC)c1	ZINC000219810736	571175214	/nfs/dbraw/zinc/17/52/14/571175214.db2.gz	ARQITJZDRGDJQI-UHFFFAOYSA-N	0	0	371.502	4.692	40	30		FJEBRN
CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccnc3)c(C)c2s1	ZINC000072228751	571178031	/nfs/dbraw/zinc/17/80/31/571178031.db2.gz	DZTJGCBMLSYNHW-FMCGGJTJSA-N	0	0	367.478	4.758	40	30		FJEBRN
C=CCOc1cccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1	ZINC000044884566	571210404	/nfs/dbraw/zinc/21/04/04/571210404.db2.gz	FOZROOYFFKLMNT-UHFFFAOYSA-N	0	0	369.461	4.620	40	30		FJEBRN
C=CCO/N=C(\CCC)[C@@H]1/C(=N/OCC)CC(C)(C)C/C1=N/OCC	ZINC000257345419	571216946	/nfs/dbraw/zinc/21/69/46/571216946.db2.gz	VVKYCMXPCMOVKQ-QBBMPQEKSA-N	0	0	351.491	4.566	40	30		FJEBRN
N#Cc1ccc(Br)cc1NCc1ccc(Br)cc1	ZINC000039956501	571267901	/nfs/dbraw/zinc/26/79/01/571267901.db2.gz	CAVKGEWVAWLANR-UHFFFAOYSA-N	0	0	366.056	4.695	40	30		FJEBRN
O=C(O/N=C(\c1ccccc1)c1ccccn1)c1ccc(Cl)cc1Cl	ZINC000005772314	571295132	/nfs/dbraw/zinc/29/51/32/571295132.db2.gz	DSCWFVBYNANFBV-PTGBLXJZSA-N	0	0	371.223	4.998	40	30		FJEBRN
CCN1C(=O)/C(=N/c2ccc(Cl)cc2)c2cc(Br)ccc21	ZINC000006496963	571296677	/nfs/dbraw/zinc/29/66/77/571296677.db2.gz	LFKPMSKSTXAEFU-XDJHFCHBSA-N	0	0	363.642	4.590	40	30		FJEBRN
COc1ccc(Cl)cc1-c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)o1	ZINC000006606632	571296904	/nfs/dbraw/zinc/29/69/04/571296904.db2.gz	IKPNWFRKMQAZJM-SRZZPIQSSA-N	0	0	366.808	4.931	40	30		FJEBRN
Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccc(F)cc1	ZINC000007343436	571298817	/nfs/dbraw/zinc/29/88/17/571298817.db2.gz	ZNLFCYGGTCBEGS-YDZHTSKRSA-N	0	0	361.424	4.566	40	30		FJEBRN
CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000008085022	571300161	/nfs/dbraw/zinc/30/01/61/571300161.db2.gz	AILZFELGRYIGLV-CJLVFECKSA-N	0	0	365.454	4.767	40	30		FJEBRN
CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC	ZINC000010119055	571302795	/nfs/dbraw/zinc/30/27/95/571302795.db2.gz	BQDMRUSMZXRBKU-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OC(C)C	ZINC000053278214	571306365	/nfs/dbraw/zinc/30/63/65/571306365.db2.gz	HIJPGVODDAYZMK-UHFFFAOYSA-N	0	0	373.456	4.974	40	30		FJEBRN
COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1	ZINC000007939552	571310342	/nfs/dbraw/zinc/31/03/42/571310342.db2.gz	RMTNCLUCWFUYMF-JXMROGBWSA-N	0	0	367.332	4.899	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1	ZINC000008362961	571310549	/nfs/dbraw/zinc/31/05/49/571310549.db2.gz	IKRHDPHXMUDHDE-SMSCYPBYSA-N	0	0	372.877	4.978	40	30		FJEBRN
CCOc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000197786345	571311240	/nfs/dbraw/zinc/31/12/40/571311240.db2.gz	XVTLJMVTPJKRBR-JJIBRWJFSA-N	0	0	360.457	4.826	40	30		FJEBRN
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2F)c1	ZINC000408624038	571319379	/nfs/dbraw/zinc/31/93/79/571319379.db2.gz	WSUGWLRXUGSHOO-UHFFFAOYSA-N	0	0	373.387	4.510	40	30		FJEBRN
N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2ccccc21	ZINC000409114754	571319494	/nfs/dbraw/zinc/31/94/94/571319494.db2.gz	QBDNVAZVXNXTLI-MOSHPQCFSA-N	0	0	352.393	4.630	40	30		FJEBRN
N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000409328935	571319560	/nfs/dbraw/zinc/31/95/60/571319560.db2.gz	ASTUTWQJSJBTOU-DHDCSXOGSA-N	0	0	356.859	4.617	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCCC1	ZINC000225830729	571338550	/nfs/dbraw/zinc/33/85/50/571338550.db2.gz	SZMUTUDTNNOJFZ-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C#N	ZINC000225834735	571338562	/nfs/dbraw/zinc/33/85/62/571338562.db2.gz	VQKUKMCZUIVSNB-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)cc1C#N	ZINC000225844981	571338619	/nfs/dbraw/zinc/33/86/19/571338619.db2.gz	QMUZVNYWOFHXML-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225846504	571338633	/nfs/dbraw/zinc/33/86/33/571338633.db2.gz	NCSNQXJOXBSBMU-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C#N	ZINC000225854574	571338732	/nfs/dbraw/zinc/33/87/32/571338732.db2.gz	KNLIGNCYDBPPJJ-IERDGZPVSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225855202	571338740	/nfs/dbraw/zinc/33/87/40/571338740.db2.gz	PISWEQCHYDRZAG-KKSFZXQISA-N	0	0	358.482	4.659	40	30		FJEBRN
C[C@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1	ZINC000225866182	571338829	/nfs/dbraw/zinc/33/88/29/571338829.db2.gz	VDDHUCLTABEBJW-LBPRGKRZSA-N	0	0	363.292	4.533	40	30		FJEBRN
COc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc32)cc1	ZINC000225884770	571338921	/nfs/dbraw/zinc/33/89/21/571338921.db2.gz	ZXQIQRUOCIHIBU-UHFFFAOYSA-N	0	0	369.424	4.944	40	30		FJEBRN
CCc1ccc2c(C#N)c(C(=O)Nc3cnc4ccccc4c3)sc2n1	ZINC000261527045	210006371	/nfs/dbraw/zinc/00/63/71/210006371.db2.gz	WYZFPLCNCFPYOD-UHFFFAOYSA-N	0	0	358.426	4.531	40	30		FJEBRN
O=C(Nc1ccccc1Cl)O/N=C/c1ccc(Br)cc1	ZINC000000829823	219327859	/nfs/dbraw/zinc/32/78/59/219327859.db2.gz	PAZUPOOARNCUSF-RQZCQDPDSA-N	0	0	353.603	4.685	40	30		FJEBRN
N#CCc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1	ZINC000225853296	209840408	/nfs/dbraw/zinc/84/04/08/209840408.db2.gz	GZUPKRHJBJOXLR-UHFFFAOYSA-N	0	0	363.530	4.985	40	30		FJEBRN
NC(=O)COc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1	ZINC000001095483	219368199	/nfs/dbraw/zinc/36/81/99/219368199.db2.gz	BHALVAMCAQHQRJ-AFUMVMLFSA-N	0	0	370.408	4.715	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)OCc3ccccc3)c(C#N)cc12	ZINC000001354323	219398396	/nfs/dbraw/zinc/39/83/96/219398396.db2.gz	BEFJSOXOBZXXIO-UHFFFAOYSA-N	0	0	362.454	4.559	40	30		FJEBRN
CC(C)c1ccc(/C=N/NC(=S)N/N=C/c2ccc(C(C)C)cc2)cc1	ZINC000001682148	219414975	/nfs/dbraw/zinc/41/49/75/219414975.db2.gz	XAUYIGRFODJXMP-MSKUYSOUSA-N	0	0	366.534	4.766	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C#N	ZINC000225856789	222874790	/nfs/dbraw/zinc/87/47/90/222874790.db2.gz	XLMHYXNTINRWHO-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
CC(=O)Nc1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C#N)cc1)N2	ZINC000004623712	219591216	/nfs/dbraw/zinc/59/12/16/219591216.db2.gz	OILWODRAFQCEER-BSXOAJBOSA-N	0	0	357.457	4.813	40	30		FJEBRN
CN(C)C=CC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000010339477	209553619	/nfs/dbraw/zinc/55/36/19/209553619.db2.gz	BZJWNKXMSKRGLM-ZHACJKMWSA-N	0	0	352.821	4.519	40	30		FJEBRN
Fc1ccc(/N=C/c2ccccc2I)cc1Cl	ZINC000102957947	209493652	/nfs/dbraw/zinc/49/36/52/209493652.db2.gz	WSWXXQNRHFQXGV-CAOOACKPSA-N	0	0	359.569	4.834	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1	ZINC000225931621	209365674	/nfs/dbraw/zinc/36/56/74/209365674.db2.gz	HWHSLGCRVPCWJD-UHFFFAOYSA-N	0	0	369.464	4.927	40	30		FJEBRN
CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2	ZINC000000865522	209379106	/nfs/dbraw/zinc/37/91/06/209379106.db2.gz	LJCAQPIUWDBXLQ-DQAKUKQTSA-N	0	0	372.446	4.708	40	30		FJEBRN
CCN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC	ZINC000118917957	209348990	/nfs/dbraw/zinc/34/89/90/209348990.db2.gz	QIWHTHRIASTAHD-AZWRHVTBSA-N	0	0	371.565	4.715	40	30		FJEBRN
COc1ccc(NC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1	ZINC000104223468	209259473	/nfs/dbraw/zinc/25/94/73/209259473.db2.gz	URCSFONMRRNPNI-FLFQWRMESA-N	0	0	355.393	4.511	40	30		FJEBRN
Cc1cccc(C)c1NC=c1c(C)c(C#N)c2nc3ccccc3n2c1=O	ZINC000013107529	220057165	/nfs/dbraw/zinc/05/71/65/220057165.db2.gz	XQNGGTHDAFDFAQ-WYMPLXKRSA-N	0	0	354.413	4.741	40	30		FJEBRN
CCN(CC)c1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000013639983	220080235	/nfs/dbraw/zinc/08/02/35/220080235.db2.gz	URLHBHOHIWKGAE-JOCHJYFZSA-N	0	0	374.488	4.760	40	30		FJEBRN
CC(=O)Nc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cc2c3c(cccc31)CC2	ZINC000017375676	220216309	/nfs/dbraw/zinc/21/63/09/220216309.db2.gz	PNQBCBUKGJVUEU-WSDLNYQXSA-N	0	0	359.385	4.556	40	30		FJEBRN
C#CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000216895673	206751364	/nfs/dbraw/zinc/75/13/64/206751364.db2.gz	GRHHZIUXHBLFQV-VQHVLOKHSA-N	0	0	361.224	4.762	40	30		FJEBRN
Cc1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1	ZINC000005376307	207097450	/nfs/dbraw/zinc/09/74/50/207097450.db2.gz	YHSSLKWTPOZQKS-DHDCSXOGSA-N	0	0	362.376	4.905	40	30		FJEBRN
CC(/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2)=C/c1ccccc1	ZINC000005411927	207098742	/nfs/dbraw/zinc/09/87/42/207098742.db2.gz	AEIWRXJWGCFDOT-LNVJVORASA-N	0	0	353.535	4.509	40	30		FJEBRN
CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc1	ZINC000005551662	207104578	/nfs/dbraw/zinc/10/45/78/207104578.db2.gz	GXORDHRRBDBDRX-PDGQHHTCSA-N	0	0	352.459	4.594	40	30		FJEBRN
Clc1nc2ccccc2cc1CN=Nc1nc2ccccc2nc1Cl	ZINC000005876097	207120729	/nfs/dbraw/zinc/12/07/29/207120729.db2.gz	YZGDPYOMCNTZTG-UFFVCSGVSA-N	0	0	368.227	4.931	40	30		FJEBRN
COc1ccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1	ZINC000035289034	207113262	/nfs/dbraw/zinc/11/32/62/207113262.db2.gz	LDGXQCWLFIQWMF-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1C	ZINC000035289745	207115079	/nfs/dbraw/zinc/11/50/79/207115079.db2.gz	HKTIJMZJYXQFKV-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1	ZINC000005788360	207115919	/nfs/dbraw/zinc/11/59/19/207115919.db2.gz	GJNIAAKFYXZIIH-FSJBWODESA-N	0	0	361.461	4.973	40	30		FJEBRN
CCOc1ccc(/N=C2\S[C@@H](C)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000006606400	207148680	/nfs/dbraw/zinc/14/86/80/207148680.db2.gz	WKVYFOQOQCEYOQ-WBOBJJNYSA-N	0	0	370.474	4.640	40	30		FJEBRN
O=[N+]([O-])c1cc(C=NNc2ccccn2)ccc1Oc1ccccc1Cl	ZINC000007994055	207216507	/nfs/dbraw/zinc/21/65/07/207216507.db2.gz	BCAYSXIZYCUCJY-CIAFOILYSA-N	0	0	368.780	4.882	40	30		FJEBRN
Cc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)o1	ZINC000008550941	207236853	/nfs/dbraw/zinc/23/68/53/207236853.db2.gz	XOQDJGCORUIDDD-KPKJPENVSA-N	0	0	353.230	4.786	40	30		FJEBRN
O=C(C=C(C=C(O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1	ZINC000008628588	207238958	/nfs/dbraw/zinc/23/89/58/207238958.db2.gz	BYFLKSLHCIJYNC-LTGZKZEYSA-N	0	0	354.405	4.952	40	30		FJEBRN
C=CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC	ZINC000009197072	207261739	/nfs/dbraw/zinc/26/17/39/207261739.db2.gz	VKEQZIPRZUEYKL-SRZZPIQSSA-N	0	0	365.260	4.691	40	30		FJEBRN
CC(=CC1[C@@H]2CC[C@@H](C2)C1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000031829608	208017577	/nfs/dbraw/zinc/01/75/77/208017577.db2.gz	ZZQQYNWQXYKHDG-QNDHGYHXSA-N	0	0	358.398	4.673	40	30		FJEBRN
C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CC	ZINC000073634163	208188923	/nfs/dbraw/zinc/18/89/23/208188923.db2.gz	MXAHDQGZLPVWPB-UHFFFAOYSA-N	0	0	363.413	4.500	40	30		FJEBRN
CN(C)c1ccc(/C=N/N=C\c2ccc(N(C)C)cc2Cl)c(Cl)c1	ZINC000019891398	220303803	/nfs/dbraw/zinc/30/38/03/220303803.db2.gz	DPNROQKODOXKPL-ZCJKAFFOSA-N	0	0	363.292	4.578	40	30		FJEBRN
C[C@H]1CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21	ZINC000208205040	132268219	/nfs/dbraw/zinc/26/82/19/132268219.db2.gz	PVQKHFUEMDIYAU-HADWXUJASA-N	0	0	352.438	4.763	40	30		FJEBRN
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21	ZINC000208202744	132268428	/nfs/dbraw/zinc/26/84/28/132268428.db2.gz	RHRIWDQIFUSTON-YZLQOSHFSA-N	0	0	366.534	4.729	40	30		FJEBRN
Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1)C(C)=CC(C)(C)N2C	ZINC000208456491	132269167	/nfs/dbraw/zinc/26/91/67/132269167.db2.gz	IRKNOMFSZPWTPL-LPYMAVHISA-N	0	0	364.449	4.981	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)SC1=S	ZINC000208220281	136151612	/nfs/dbraw/zinc/15/16/12/136151612.db2.gz	GRYCWFPGCWGEOK-GPLLRDDGSA-N	0	0	372.559	4.796	40	30		FJEBRN
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100048606	222233446	/nfs/dbraw/zinc/23/34/46/222233446.db2.gz	JEKPYLPQINQEAZ-UHFFFAOYSA-N	0	0	352.065	4.693	40	30		FJEBRN
C=CCO/N=C(/CCC)C1/C(=N/OCC)CC(C)(C)C/C1=N/OCC	ZINC000100906454	222256520	/nfs/dbraw/zinc/25/65/20/222256520.db2.gz	VVKYCMXPCMOVKQ-SSBNOYMGSA-N	0	0	351.491	4.566	40	30		FJEBRN
CCCCCCCC[C@@H]1O[C@H]1CCCCCCCCOC[C@H](O)CO	ZINC000104049776	222348111	/nfs/dbraw/zinc/34/81/11/222348111.db2.gz	CIIHZROFUPCXTE-HKBOAZHASA-N	0	0	358.563	4.605	40	30		FJEBRN
C=CCOc1ccc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)cc1	ZINC000002594269	263325842	/nfs/dbraw/zinc/32/58/42/263325842.db2.gz	VEBMEBQXECQYQH-GZTJUZNOSA-N	0	0	370.861	4.987	40	30		FJEBRN
Clc1ccccc1COc1ccc2ccccc2c1C=Nc1nc[nH]n1	ZINC000006829876	263347484	/nfs/dbraw/zinc/34/74/84/263347484.db2.gz	HNTUQTWJTIPZEV-SSDVNMTOSA-N	0	0	362.820	4.941	40	30		FJEBRN
CC/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(OC)cc1OC	ZINC000009197899	263359900	/nfs/dbraw/zinc/35/99/00/263359900.db2.gz	SJRGMRQHMKBXBT-OQKWZONESA-N	0	0	367.276	4.915	40	30		FJEBRN
C=CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1	ZINC000010414462	263364812	/nfs/dbraw/zinc/36/48/12/263364812.db2.gz	YAVOPCXMKIHWPJ-SECBINFHSA-N	0	0	371.940	4.589	40	30		FJEBRN
C[C@@H](C[C@@H](C#N)NCCN[C@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000019368201	263374578	/nfs/dbraw/zinc/37/45/78/263374578.db2.gz	FHEQJCCBJZWVQZ-YRPNKDGESA-N	0	0	362.606	4.875	40	30		FJEBRN
COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	ZINC000020762472	263382415	/nfs/dbraw/zinc/38/24/15/263382415.db2.gz	TTWOKKSYIODBIN-ZVHZXABRSA-N	0	0	367.880	4.880	40	30		FJEBRN
COc1ccccc1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000020762121	263382755	/nfs/dbraw/zinc/38/27/55/263382755.db2.gz	OFJSKFLZFFEDKD-WGOQTCKBSA-N	0	0	369.468	4.822	40	30		FJEBRN
COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(F)cc1	ZINC000020762695	263382858	/nfs/dbraw/zinc/38/28/58/263382858.db2.gz	UZTQJCFIRFWISK-MFKUBSTISA-N	0	0	364.420	4.537	40	30		FJEBRN
Cc1sc(N=NC(C)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	ZINC000059195411	263417785	/nfs/dbraw/zinc/41/77/85/263417785.db2.gz	AOVIHHILXWEHBW-UDWIEESQSA-N	0	0	352.419	4.863	40	30		FJEBRN
CCCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000059444490	263419849	/nfs/dbraw/zinc/41/98/49/263419849.db2.gz	DHABTGKMJBCILB-VZUCSPMQSA-N	0	0	355.390	4.678	40	30		FJEBRN
Cc1c(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c2ccccc2n1C	ZINC000059678206	263422104	/nfs/dbraw/zinc/42/21/04/263422104.db2.gz	BNCREGSGZJXKIP-XDHOZWIPSA-N	0	0	361.470	4.687	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1CC	ZINC000408559694	263470524	/nfs/dbraw/zinc/47/05/24/263470524.db2.gz	BGFOEFAUSCRLIC-UHFFFAOYSA-N	0	0	374.554	4.850	40	30		FJEBRN
CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(N3CCOCC3)cc2)C1	ZINC000408563078	263472429	/nfs/dbraw/zinc/47/24/29/263472429.db2.gz	IGBLOAQWXCNUJE-IECKCJDVSA-N	0	0	356.510	4.624	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2C#N)cc1	ZINC000408587697	263476363	/nfs/dbraw/zinc/47/63/63/263476363.db2.gz	ADAMIKFVJJKNBI-CVKSISIWSA-N	0	0	367.408	4.560	40	30		FJEBRN
C=CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000408605585	263480111	/nfs/dbraw/zinc/48/01/11/263480111.db2.gz	GCLHHRQVQXIRHP-UHFFFAOYSA-N	0	0	363.211	4.534	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1Cl	ZINC000408849244	263501069	/nfs/dbraw/zinc/50/10/69/263501069.db2.gz	YPHZDJZCGSLENY-LPYMAVHISA-N	0	0	368.820	4.677	40	30		FJEBRN
CC[C@@H](C)Oc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000408910932	263506780	/nfs/dbraw/zinc/50/67/80/263506780.db2.gz	MCCXYWHTUYMVJB-BXSODOALSA-N	0	0	364.405	4.766	40	30		FJEBRN
CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cc(C)cc(C)c1	ZINC000408933783	263507968	/nfs/dbraw/zinc/50/79/68/263507968.db2.gz	BHTUZYJHZWJSKZ-YBFXNURJSA-N	0	0	365.429	4.597	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000408944715	263508766	/nfs/dbraw/zinc/50/87/66/263508766.db2.gz	UUPHCNPHZFSKTJ-OQLLNIDSSA-N	0	0	362.212	4.889	40	30		FJEBRN
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(C(F)(F)F)c1	ZINC000408967250	263512206	/nfs/dbraw/zinc/51/22/06/263512206.db2.gz	UBWNZSWXTSSJGE-NTEUORMPSA-N	0	0	366.339	4.736	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O	ZINC000409074282	263523206	/nfs/dbraw/zinc/52/32/06/263523206.db2.gz	PQLYEZMHFTVNIE-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC	ZINC000409093985	263525221	/nfs/dbraw/zinc/52/52/21/263525221.db2.gz	CDXDVLLEXQAPDA-RPCHLKFKSA-N	0	0	367.371	4.732	40	30		FJEBRN
N#Cc1ccccc1COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1	ZINC000409370468	263552623	/nfs/dbraw/zinc/55/26/23/263552623.db2.gz	RKDVRQDVZBOAHL-FYJGNVAPSA-N	0	0	351.405	4.960	40	30		FJEBRN
CC(CCC=Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016927873	518473724	/nfs/dbraw/zinc/47/37/24/518473724.db2.gz	CAKTYKSNWCLKJV-JILWXEIRSA-N	0	0	354.366	4.784	40	30		FJEBRN
C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000224694399	518810421	/nfs/dbraw/zinc/81/04/21/518810421.db2.gz	BVEPYLUSSAWBBG-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224712282	518812400	/nfs/dbraw/zinc/81/24/00/518812400.db2.gz	DKMLMMMNLPQHGS-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(CSc2ccc(Cl)cc2)c1	ZINC000224670049	518936057	/nfs/dbraw/zinc/93/60/57/518936057.db2.gz	KQDXMMCYWAPPEQ-UHFFFAOYSA-N	0	0	361.894	4.947	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1	ZINC000224945631	519039486	/nfs/dbraw/zinc/03/94/86/519039486.db2.gz	COBSOPOEIHAONK-QFIPXVFZSA-N	0	0	365.473	4.926	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1	ZINC000225541927	519041350	/nfs/dbraw/zinc/04/13/50/519041350.db2.gz	JZWQPJVXXLQCBO-UHFFFAOYSA-N	0	0	360.910	4.824	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1	ZINC000225545139	519041739	/nfs/dbraw/zinc/04/17/39/519041739.db2.gz	JFKUMOVWMXKZJU-UHFFFAOYSA-N	0	0	360.910	4.824	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1	ZINC000224488593	519055412	/nfs/dbraw/zinc/05/54/12/519055412.db2.gz	IRPXVRZJVINDTM-MRXNPFEDSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1	ZINC000224488638	519056766	/nfs/dbraw/zinc/05/67/66/519056766.db2.gz	IRPXVRZJVINDTM-INIZCTEOSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1nnc(SC(C)C)s1	ZINC000224015221	519078613	/nfs/dbraw/zinc/07/86/13/519078613.db2.gz	KFVRJJGLIAJULD-UHFFFAOYSA-N	0	0	351.522	4.569	40	30		FJEBRN
C=CCn1c(SCc2ccccc2)nnc1[C@@H](C)Oc1ccccc1	ZINC000035682601	519243263	/nfs/dbraw/zinc/24/32/63/519243263.db2.gz	FDJPDSQHLAAMFQ-MRXNPFEDSA-N	0	0	351.475	4.896	40	30		FJEBRN
C=C[C@H](CC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000016926637	519300216	/nfs/dbraw/zinc/30/02/16/519300216.db2.gz	PBVVVCSDMBFICK-RMENWYJGSA-N	0	0	354.366	4.651	40	30		FJEBRN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@]4(C)CC[C@@H]32)C1	ZINC000253501273	519757051	/nfs/dbraw/zinc/75/70/51/519757051.db2.gz	QLMXZKMIBONXSF-GFZDYNDISA-N	0	0	354.490	4.926	40	30		FJEBRN
CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccco2)cc1	ZINC000101662546	520063972	/nfs/dbraw/zinc/06/39/72/520063972.db2.gz	CVQQQYTVCHYUGZ-CYVLTUHYSA-N	0	0	353.418	4.973	40	30		FJEBRN
CCOc1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000016739957	520853443	/nfs/dbraw/zinc/85/34/43/520853443.db2.gz	DCUMWELHWUQXTH-YBFXNURJSA-N	0	0	368.418	4.563	40	30		FJEBRN
CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3F)S2)cc1	ZINC000006869815	520885130	/nfs/dbraw/zinc/88/51/30/520885130.db2.gz	BKPMGKBXTUGAHP-AQTBWJFISA-N	0	0	369.465	4.564	40	30		FJEBRN
COc1cc(/C=N/OCc2coc(-c3ccccc3)n2)ccc1OC(F)F	ZINC000021279622	521999418	/nfs/dbraw/zinc/99/94/18/521999418.db2.gz	BWARELDAZXMABX-LSHDLFTRSA-N	0	0	374.343	4.502	40	30		FJEBRN
COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2cccs2)cc1	ZINC000004852245	524316520	/nfs/dbraw/zinc/31/65/20/524316520.db2.gz	NZFFHVQAQDDSIL-JLHYYAGUSA-N	0	0	363.438	4.905	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O	ZINC000208461634	534846516	/nfs/dbraw/zinc/84/65/16/534846516.db2.gz	WEAJIPBRGMJZOG-WQRHYEAKSA-N	0	0	368.502	4.849	40	30		FJEBRN
Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)o1	ZINC000239611697	525960330	/nfs/dbraw/zinc/96/03/30/525960330.db2.gz	FAXCDVZHMMFRAL-MMRRXNEESA-N	0	0	366.545	6.583	40	30		FJEBRN
N#C[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1	ZINC000001647925	526510765	/nfs/dbraw/zinc/51/07/65/526510765.db2.gz	BSXCMSZGKZFGJP-JOCHJYFZSA-N	0	0	356.425	4.995	40	30		FJEBRN
O=C(/C(=N\N=C/c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1	ZINC000019891364	527593210	/nfs/dbraw/zinc/59/32/10/527593210.db2.gz	KBNYSQWJFBNBIO-TXRKAJQRSA-N	0	0	352.437	4.881	40	30		FJEBRN
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004216262	560197427	/nfs/dbraw/zinc/19/74/27/560197427.db2.gz	GACKBTMUYYITHY-BQPCAVHVSA-N	0	0	362.485	4.788	40	30	in-vitro	FJEBRN
CC(C)N=Nc1nc2c(s1)c(C(F)(F)F)ccc2Br	ZINC000216939825	568157233	/nfs/dbraw/zinc/15/72/33/568157233.db2.gz	ZTJVTFHWLGNQFS-UHFFFAOYSA-N	0	0	352.179	4.885	40	30		FJEBRN
CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CC#N)cc1	ZINC000222914770	568578167	/nfs/dbraw/zinc/57/81/67/568578167.db2.gz	FLBJMESHCKRNMC-HXUWFJFHSA-N	0	0	350.462	4.846	40	30		FJEBRN
Cc1ccc(C(=O)N=C2C(Cl)=C(Cl)C(=O)C(Cl)=C2Cl)cc1	ZINC000000939788	570464448	/nfs/dbraw/zinc/46/44/48/570464448.db2.gz	PRSBHTHLUGTMDR-UHFFFAOYSA-N	0	0	363.027	4.537	40	30		FJEBRN
C=CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408532346	570514193	/nfs/dbraw/zinc/51/41/93/570514193.db2.gz	UJBWWIVVOBMLPR-ATVHPVEESA-N	0	0	370.861	4.796	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C#N	ZINC000225841013	570546660	/nfs/dbraw/zinc/54/66/60/570546660.db2.gz	KKEAIHYIJIYVIN-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
C=CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC	ZINC000408556089	570553047	/nfs/dbraw/zinc/55/30/47/570553047.db2.gz	HNVYIHIVRUQLBP-UHFFFAOYSA-N	0	0	362.813	4.824	40	30		FJEBRN
C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C(C)C)cc1	ZINC000408560568	570554678	/nfs/dbraw/zinc/55/46/78/570554678.db2.gz	KWZGFEBBRSRCCO-UHFFFAOYSA-N	0	0	372.538	4.661	40	30		FJEBRN
CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCC	ZINC000408595045	570575420	/nfs/dbraw/zinc/57/54/20/570575420.db2.gz	KEWVSNIORJJDKC-WSDLNYQXSA-N	0	0	358.825	4.560	40	30		FJEBRN
C=CCSc1nnc(NC(=O)c2cc(C(C)C)c(OC)cc2C)s1	ZINC000225670886	570609584	/nfs/dbraw/zinc/60/95/84/570609584.db2.gz	NWFVBQYVXUQPDE-UHFFFAOYSA-N	0	0	363.508	4.509	40	30		FJEBRN
CCCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1C	ZINC000408646368	570614487	/nfs/dbraw/zinc/61/44/87/570614487.db2.gz	AWMNSIOOYRSUTQ-HZHRSRAPSA-N	0	0	358.445	4.961	40	30		FJEBRN
CCOc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1	ZINC000005011973	570617941	/nfs/dbraw/zinc/61/79/41/570617941.db2.gz	MCWQQRGTBXLSTJ-NZQKXSOJSA-N	0	0	372.424	4.953	40	30		FJEBRN
O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)cc1	ZINC000005376354	570625472	/nfs/dbraw/zinc/62/54/72/570625472.db2.gz	MGJOJBLBCWZTAI-AUWJEWJLSA-N	0	0	365.241	4.591	40	30		FJEBRN
O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1c[nH]c2ccccc12	ZINC000005376627	570625640	/nfs/dbraw/zinc/62/56/40/570625640.db2.gz	MUUCZFDPMCHZLL-CXUHLZMHSA-N	0	0	353.834	4.713	40	30		FJEBRN
Cc1cc(NN=Cc2cccc3ccccc23)c2cc3c(cc2[nH+]1)OCO3	ZINC000005552555	570630240	/nfs/dbraw/zinc/63/02/40/570630240.db2.gz	JHOUTUHUTPZCOR-FSJBWODESA-N	0	0	355.397	4.871	40	30		FJEBRN
CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(O)cc1	ZINC000006389851	570646554	/nfs/dbraw/zinc/64/65/54/570646554.db2.gz	ASSPJNMMDULRIC-MJLBXUHQSA-N	0	0	373.836	4.760	40	30		FJEBRN
C[C@H]1CCc2c(sc3ncnc(N=NCc4ccc(Cl)cc4)c23)C1	ZINC000006481318	570647931	/nfs/dbraw/zinc/64/79/31/570647931.db2.gz	SWYIRPDKBLMFEC-MKTFZPETSA-N	0	0	356.882	4.916	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000408710274	570661851	/nfs/dbraw/zinc/66/18/51/570661851.db2.gz	VNFQTOKWZNWMQR-RTBURBONSA-N	0	0	352.563	4.718	40	30		FJEBRN
CCCOc1cccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1	ZINC000004535181	570668854	/nfs/dbraw/zinc/66/88/54/570668854.db2.gz	OOSSQPORFNJHOX-UHFFFAOYSA-N	0	0	365.473	4.519	40	30		FJEBRN
CCc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1	ZINC000004849018	570670339	/nfs/dbraw/zinc/67/03/39/570670339.db2.gz	ULLJUIBDQAQNDY-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
Oc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(O)c1	ZINC000408718401	570672931	/nfs/dbraw/zinc/67/29/31/570672931.db2.gz	LZHMRNZFMRIUIG-LPYMAVHISA-N	0	0	357.369	4.565	40	30		FJEBRN
COc1ccc(Br)cc1C=NNc1ccccc1C(F)(F)F	ZINC000005019897	570676835	/nfs/dbraw/zinc/67/68/35/570676835.db2.gz	ORSFBOOQJWBDNN-AWQFTUOYSA-N	0	0	373.172	4.923	40	30		FJEBRN
C=CCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1	ZINC000008496536	570682602	/nfs/dbraw/zinc/68/26/02/570682602.db2.gz	MAHDKNOJQIREAY-UHFFFAOYSA-N	0	0	361.894	4.568	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)S2)cc1	ZINC000408786353	570687375	/nfs/dbraw/zinc/68/73/75/570687375.db2.gz	ICSCUMYOZCGVEN-GZTJUZNOSA-N	0	0	372.877	4.803	40	30		FJEBRN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C)c2)NC1=O	ZINC000408806302	570688182	/nfs/dbraw/zinc/68/81/82/570688182.db2.gz	AKBJAULJAJTNSM-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	ZINC000408810580	570688740	/nfs/dbraw/zinc/68/87/40/570688740.db2.gz	JEPOKJPQJGDUCH-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)o1	ZINC000408815999	570689281	/nfs/dbraw/zinc/68/92/81/570689281.db2.gz	KCFGKPKIVDLNDP-ATVHPVEESA-N	0	0	369.490	4.634	40	30		FJEBRN
C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=S	ZINC000408814292	570689533	/nfs/dbraw/zinc/68/95/33/570689533.db2.gz	FNEJIPVEKZOUOF-BOPFTXTBSA-N	0	0	369.467	4.536	40	30		FJEBRN
O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc2c3c(cccc31)CC2	ZINC000408757424	570690959	/nfs/dbraw/zinc/69/09/59/570690959.db2.gz	ZVLUSRXERRVZOW-UYRXBGFRSA-N	0	0	356.450	4.830	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1CC	ZINC000408850677	570692380	/nfs/dbraw/zinc/69/23/80/570692380.db2.gz	CHWORVQPHBWDLX-PTPABZONSA-N	0	0	352.459	4.791	40	30		FJEBRN
CC/N=C1\S/C(=C\c2ccc(OCC)c3ccccc23)C(=O)N1CC	ZINC000408851321	570692511	/nfs/dbraw/zinc/69/25/11/570692511.db2.gz	XUUCOZJZWXGZDD-PQDITWEDSA-N	0	0	354.475	4.551	40	30		FJEBRN
CCOc1ccc(/C=N\c2ccccc2F)cc1I	ZINC000408905139	570696598	/nfs/dbraw/zinc/69/65/98/570696598.db2.gz	UFMBAQXSFKUTJD-ZDLGFXPLSA-N	0	0	369.177	4.580	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2CC(C)C)cc1	ZINC000408912782	570698036	/nfs/dbraw/zinc/69/80/36/570698036.db2.gz	LUCMTNICYRHRLO-FOLIBTTPSA-N	0	0	366.486	4.961	40	30		FJEBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1	ZINC000408911653	570698354	/nfs/dbraw/zinc/69/83/54/570698354.db2.gz	BBPAZAWTLSPVHB-KEBDBYFISA-N	0	0	350.330	4.643	40	30		FJEBRN
CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1	ZINC000408910601	570698409	/nfs/dbraw/zinc/69/84/09/570698409.db2.gz	XHQOHLCUTFTNGI-BIXZQSIESA-N	0	0	352.459	4.628	40	30		FJEBRN
CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCC	ZINC000408914527	570698749	/nfs/dbraw/zinc/69/87/49/570698749.db2.gz	YHRLZOOJFKKAKJ-UHFFFAOYSA-N	0	0	356.805	4.600	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2CC(C)C)cc1	ZINC000408914485	570698819	/nfs/dbraw/zinc/69/88/19/570698819.db2.gz	OAJMDPLFVDZUMU-FOLIBTTPSA-N	0	0	366.486	4.961	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2cccc(O)c2)C(=O)N1CC	ZINC000408916127	570699277	/nfs/dbraw/zinc/69/92/77/570699277.db2.gz	VBEOUVAIEYWNIP-BIXZQSIESA-N	0	0	352.459	4.579	40	30		FJEBRN
C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1ccccc1	ZINC000408931861	570699930	/nfs/dbraw/zinc/69/99/30/570699930.db2.gz	REAMOWPSXKYRLI-XIEYBQDHSA-N	0	0	372.468	4.853	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)c(C)c1	ZINC000408932773	570700825	/nfs/dbraw/zinc/70/08/25/570700825.db2.gz	DXEUTVYYCZCAJX-YDZHTSKRSA-N	0	0	362.429	4.645	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000408943339	570702000	/nfs/dbraw/zinc/70/20/00/570702000.db2.gz	RZTFSRBRKKVOAO-OVCLIPMQSA-N	0	0	362.212	4.889	40	30		FJEBRN
COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(N(C)C)cc1	ZINC000408952223	570702410	/nfs/dbraw/zinc/70/24/10/570702410.db2.gz	LMGJWBKTYFIGCI-HYARGMPZSA-N	0	0	353.853	4.956	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(OC)cc2)c1	ZINC000408955099	570702417	/nfs/dbraw/zinc/70/24/17/570702417.db2.gz	WDPYGGIRUBDIRT-LPYMAVHISA-N	0	0	368.820	4.677	40	30		FJEBRN
COc1ccc(N=C2NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1	ZINC000408963543	570704154	/nfs/dbraw/zinc/70/41/54/570704154.db2.gz	CDPXVXZRJVBMMP-WOJGMQOQSA-N	0	0	352.459	4.512	40	30		FJEBRN
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(C(F)(F)F)cc1	ZINC000408967300	570704722	/nfs/dbraw/zinc/70/47/22/570704722.db2.gz	URPNGIPJFKHOCW-NTEUORMPSA-N	0	0	366.339	4.736	40	30		FJEBRN
COc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1	ZINC000408968049	570705118	/nfs/dbraw/zinc/70/51/18/570705118.db2.gz	ZDABDHLMZDVMRC-QGOAFFKASA-N	0	0	366.486	4.884	40	30		FJEBRN
COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)n[nH]c1C	ZINC000408975275	570705812	/nfs/dbraw/zinc/70/58/12/570705812.db2.gz	LQENPAFWIMDBAR-DJKKODMXSA-N	0	0	358.239	4.701	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=S	ZINC000409019075	570713886	/nfs/dbraw/zinc/71/38/86/570713886.db2.gz	XZWZZRNWGGCKAA-WJDWOHSUSA-N	0	0	374.918	4.826	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)SC1=S	ZINC000409020351	570714254	/nfs/dbraw/zinc/71/42/54/570714254.db2.gz	OJRXCQSOHYHBIA-MKVLZVNKSA-N	0	0	367.923	4.905	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(Cl)c1Cl	ZINC000409033796	570715199	/nfs/dbraw/zinc/71/51/99/570715199.db2.gz	LUZLPWJOENMQOT-LRNAUUFOSA-N	0	0	357.056	4.707	40	30		FJEBRN
CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1	ZINC000409053125	570715917	/nfs/dbraw/zinc/71/59/17/570715917.db2.gz	XOJBSRPOUUKPDD-RGVLZGJSSA-N	0	0	356.382	4.694	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O	ZINC000409064877	570718060	/nfs/dbraw/zinc/71/80/60/570718060.db2.gz	IPTPOUYXBMPQHC-CPNJWEJPSA-N	0	0	365.454	4.796	40	30		FJEBRN
C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCC	ZINC000409068593	570718439	/nfs/dbraw/zinc/71/84/39/570718439.db2.gz	UIVIMGIDBAPGHP-KGENOOAVSA-N	0	0	354.406	4.871	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccccc2F)c1	ZINC000409081713	570720176	/nfs/dbraw/zinc/72/01/76/570720176.db2.gz	KTXKPCNDLZWNBL-XSFVSMFZSA-N	0	0	373.383	4.749	40	30		FJEBRN
Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1	ZINC000409104582	570722413	/nfs/dbraw/zinc/72/24/13/570722413.db2.gz	JWPRMCMJKPAYGZ-KEBDBYFISA-N	0	0	356.769	4.658	40	30		FJEBRN
CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl	ZINC000409103687	570722676	/nfs/dbraw/zinc/72/26/76/570722676.db2.gz	BCKHHSCHBKHHOD-GZIVZEMBSA-N	0	0	357.763	4.987	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O	ZINC000409099363	570724028	/nfs/dbraw/zinc/72/40/28/570724028.db2.gz	QORWGMUUOZTASB-LDADJPATSA-N	0	0	366.486	4.933	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OCC	ZINC000409110878	570725143	/nfs/dbraw/zinc/72/51/43/570725143.db2.gz	HKVHSZAEQLWURF-UHFFFAOYSA-N	0	0	374.278	4.780	40	30		FJEBRN
COc1ccc(Cl)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409105526	570726490	/nfs/dbraw/zinc/72/64/90/570726490.db2.gz	KTEQLZQYPUIBHQ-DNTJNYDQSA-N	0	0	373.718	4.722	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OC	ZINC000409120636	570728111	/nfs/dbraw/zinc/72/81/11/570728111.db2.gz	RIXKFJJIACMDJZ-UHFFFAOYSA-N	0	0	374.278	4.699	40	30		FJEBRN
Cc1ccc(C)c(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c1	ZINC000409209478	570739284	/nfs/dbraw/zinc/73/92/84/570739284.db2.gz	BVVDRCPHPRLSKS-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1	ZINC000409251753	570746587	/nfs/dbraw/zinc/74/65/87/570746587.db2.gz	VZGRJEGEJIWZNK-XIEYBQDHSA-N	0	0	372.468	4.949	40	30		FJEBRN
Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(F)cc3)cc2)cc1	ZINC000100142476	570759614	/nfs/dbraw/zinc/75/96/14/570759614.db2.gz	KOMHWADXCNYHHP-OYKKKHCWSA-N	0	0	362.404	4.902	40	30		FJEBRN
Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000100116576	570759899	/nfs/dbraw/zinc/75/98/99/570759899.db2.gz	LWFAKGAQDGIUIF-UDWIEESQSA-N	0	0	364.361	4.661	40	30		FJEBRN
Cn1c2ccccc2s/c1=N\N=C\c1ccc(OCc2ccccc2)cc1	ZINC000102981101	570769334	/nfs/dbraw/zinc/76/93/34/570769334.db2.gz	ZRONYXZIMWMXMD-PLZJBTPPSA-N	0	0	373.481	4.754	40	30		FJEBRN
CC(C)Oc1ccc(C=NNc2nc3ccccc3[nH]2)c(OC(C)C)c1	ZINC000006345651	570780169	/nfs/dbraw/zinc/78/01/69/570780169.db2.gz	YHHAPROFKYUQMY-CIAFOILYSA-N	0	0	352.438	4.583	40	30		FJEBRN
C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(C)cc1	ZINC000014122575	570844285	/nfs/dbraw/zinc/84/42/85/570844285.db2.gz	GYBONTGHPKKOGS-UHFFFAOYSA-N	0	0	365.502	4.952	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000014397898	570848820	/nfs/dbraw/zinc/84/88/20/570848820.db2.gz	SPVIBQDDOUWIEG-MRXNPFEDSA-N	0	0	353.462	4.955	40	30		FJEBRN
COc1cc(/C=N/N=C(/C)c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000017023456	570865049	/nfs/dbraw/zinc/86/50/49/570865049.db2.gz	FUSJKVOJYARDKE-KZSQTELISA-N	0	0	362.429	4.709	40	30		FJEBRN
C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927798	570871370	/nfs/dbraw/zinc/87/13/70/570871370.db2.gz	WHUVCKHSKYGQND-KIYFCUGLSA-N	0	0	358.522	4.798	40	30		FJEBRN
C=C1C[C@]2(CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O	ZINC000118936603	570909327	/nfs/dbraw/zinc/90/93/27/570909327.db2.gz	WGTHPOGRDPMMBQ-ZGIWMXSJSA-N	0	0	356.506	4.552	40	30		FJEBRN
CCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000020672552	570923186	/nfs/dbraw/zinc/92/31/86/570923186.db2.gz	KGVJNGGACUDNRF-NRFANRHFSA-N	0	0	361.445	4.703	40	30		FJEBRN
Cc1ccc2cc(C)c(NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc2c1	ZINC000005571159	570962244	/nfs/dbraw/zinc/96/22/44/570962244.db2.gz	MAKZKMAYOMJEMB-KEBDBYFISA-N	0	0	354.797	4.859	40	30		FJEBRN
CCOc1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O	ZINC000001435814	571064592	/nfs/dbraw/zinc/06/45/92/571064592.db2.gz	DWAJFFWVASNPLL-YDZHTSKRSA-N	0	0	359.385	4.745	40	30		FJEBRN
COc1ccc([C@@H]2c3ccc4ncccc4c3NC3=C2C(=O)CCC3)cc1	ZINC000004710550	571068405	/nfs/dbraw/zinc/06/84/05/571068405.db2.gz	ACMOMXGCVBDJFE-OAQYLSRUSA-N	0	0	356.425	4.808	40	30		FJEBRN
CCOC1=CC(=C2C=CC(=O)C(=O)C2)C=C(OCC)c2c(C)oc(C)c21	ZINC000095482131	571070694	/nfs/dbraw/zinc/07/06/94/571070694.db2.gz	XEUAUPCWZDKPRI-UHFFFAOYSA-N	0	0	354.402	4.542	40	30		FJEBRN
COc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O	ZINC000059461362	571089598	/nfs/dbraw/zinc/08/95/98/571089598.db2.gz	ODHMODHQVHTDJX-CPIJOOSUSA-N	0	0	368.414	4.591	40	30		FJEBRN
CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC	ZINC000059387352	571090421	/nfs/dbraw/zinc/09/04/21/571090421.db2.gz	MTBUAXIZTSZAGA-UDWIEESQSA-N	0	0	353.447	4.663	40	30		FJEBRN
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(C)cc2)ccc1O	ZINC000059639215	571090756	/nfs/dbraw/zinc/09/07/56/571090756.db2.gz	VRUDGGDATYKXPY-OEAKJJBVSA-N	0	0	357.413	4.775	40	30		FJEBRN
COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1	ZINC000084618623	571106539	/nfs/dbraw/zinc/10/65/39/571106539.db2.gz	DOIFCHKIVPLCDT-GDNBJRDFSA-N	0	0	368.738	4.746	40	30		FJEBRN
C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1	ZINC000013635110	571119967	/nfs/dbraw/zinc/11/99/67/571119967.db2.gz	MXUXUOJAKKXKKR-OAQYLSRUSA-N	0	0	373.456	4.617	40	30		FJEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1N=C/C=C/c1ccccc1	ZINC000256007026	571144114	/nfs/dbraw/zinc/14/41/14/571144114.db2.gz	VNDNIMFLUHWVAS-SFPPZFBDSA-N	0	0	351.409	4.611	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2C)c(Br)c1	ZINC000216817617	571147491	/nfs/dbraw/zinc/14/74/91/571147491.db2.gz	UHUUAKPHEJEWKX-UHFFFAOYSA-N	0	0	361.235	4.679	40	30		FJEBRN
C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1	ZINC000216829041	571148245	/nfs/dbraw/zinc/14/82/45/571148245.db2.gz	DNVYSFRBTUZGPC-UHFFFAOYSA-N	0	0	364.800	4.800	40	30		FJEBRN
C#CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	ZINC000216848228	571149253	/nfs/dbraw/zinc/14/92/53/571149253.db2.gz	SQSNCEMNBZRPMD-UHFFFAOYSA-N	0	0	353.176	4.502	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2cc1C	ZINC000035312063	571160631	/nfs/dbraw/zinc/16/06/31/571160631.db2.gz	WZFPVSCCRKNNFA-UHFFFAOYSA-N	0	0	362.454	4.559	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1OC	ZINC000218658228	571173903	/nfs/dbraw/zinc/17/39/03/571173903.db2.gz	MJBCTFCIUVEJQR-IBGZPJMESA-N	0	0	365.473	4.764	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1	ZINC000219792299	571174927	/nfs/dbraw/zinc/17/49/27/571174927.db2.gz	LFEKGLVCCMTECF-FQEVSTJZSA-N	0	0	365.473	4.982	40	30		FJEBRN
C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1	ZINC000219818563	571175195	/nfs/dbraw/zinc/17/51/95/571175195.db2.gz	MUXSALWEMNZMLO-KRWDZBQOSA-N	0	0	371.502	4.863	40	30		FJEBRN
C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1	ZINC000222678648	571201207	/nfs/dbraw/zinc/20/12/07/571201207.db2.gz	WICGYAXACIHHHU-UHFFFAOYSA-N	0	0	365.857	4.916	40	30		FJEBRN
CCNC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1	ZINC000026896856	571202921	/nfs/dbraw/zinc/20/29/21/571202921.db2.gz	VFBSIEKYWFEUHL-QGZVFWFLSA-N	0	0	371.889	4.791	40	30		FJEBRN
COC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000006524443	571206984	/nfs/dbraw/zinc/20/69/84/571206984.db2.gz	OFUAAJMQFPQPSA-OAHLLOKOSA-N	0	0	374.465	4.941	40	30		FJEBRN
C/C(=N/N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1	ZINC000006157520	571236750	/nfs/dbraw/zinc/23/67/50/571236750.db2.gz	JNQOODVQPOXQBG-QQTULTPQSA-N	0	0	355.485	4.900	40	30		FJEBRN
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[NH+]3CCCCCC3)CC[C@H]21	ZINC000004027787	571276518	/nfs/dbraw/zinc/27/65/18/571276518.db2.gz	UWQHCHABBAIPPF-KIFXHHALSA-N	0	0	367.533	4.963	40	30		FJEBRN
C=CCCC1(C(=O)OC(C)(C)C)CCN(C(=O)OCc2ccccc2)CC1	ZINC000199784555	571278147	/nfs/dbraw/zinc/27/81/47/571278147.db2.gz	NRGPLKZLSJWXKE-UHFFFAOYSA-N	0	0	373.493	4.713	40	30		FJEBRN
C#CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Br	ZINC000006962459	571298014	/nfs/dbraw/zinc/29/80/14/571298014.db2.gz	IKZGNLJEWANIFL-DEDYPNTBSA-N	0	0	358.235	4.610	40	30		FJEBRN
CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC	ZINC000008811860	571302125	/nfs/dbraw/zinc/30/21/25/571302125.db2.gz	DHOBVHUOJOPZMM-KEBDBYFISA-N	0	0	353.249	4.524	40	30		FJEBRN
CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OC	ZINC000010119106	571302787	/nfs/dbraw/zinc/30/27/87/571302787.db2.gz	LZFAFOFNLYRGNF-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
COc1ccc(/C=N/OCc2ccccc2C#N)cc1OCc1ccccc1	ZINC000015551940	571303694	/nfs/dbraw/zinc/30/36/94/571303694.db2.gz	JNWFNEHLCDJAQI-MFKUBSTISA-N	0	0	372.424	4.697	40	30		FJEBRN
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2sccc2C)C1=O	ZINC000006814455	571310383	/nfs/dbraw/zinc/31/03/83/571310383.db2.gz	YVEAWVLGJZZXPY-BOPFTXTBSA-N	0	0	367.470	4.551	40	30		FJEBRN
COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O	ZINC000038361137	571310795	/nfs/dbraw/zinc/31/07/95/571310795.db2.gz	SWINGKITYJCQFU-SMSCYPBYSA-N	0	0	372.877	4.891	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1	ZINC000169398442	571311178	/nfs/dbraw/zinc/31/11/78/571311178.db2.gz	HBQHAILOQMPYCD-HOOMGSECSA-N	0	0	352.459	4.709	40	30		FJEBRN
N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	ZINC000408754144	571319442	/nfs/dbraw/zinc/31/94/42/571319442.db2.gz	IQXIONOZURGEOO-BIENJYKASA-N	0	0	351.793	4.946	40	30		FJEBRN
C/C(=N/OC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1	ZINC000012362222	571322390	/nfs/dbraw/zinc/32/23/90/571322390.db2.gz	FSNGGPNMACXDPJ-MTJSOVHGSA-N	0	0	367.232	4.515	40	30		FJEBRN
CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1	ZINC000225683740	571337804	/nfs/dbraw/zinc/33/78/04/571337804.db2.gz	MLHBVQHHUPUTJV-UHFFFAOYSA-N	0	0	366.436	4.935	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1	ZINC000225833187	571338524	/nfs/dbraw/zinc/33/85/24/571338524.db2.gz	YCOZRJIXAJZZCC-VWKPWSFCSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225841360	571338616	/nfs/dbraw/zinc/33/86/16/571338616.db2.gz	RXFYZCDWIIJOFD-OAQYLSRUSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N	ZINC000225841285	571338652	/nfs/dbraw/zinc/33/86/52/571338652.db2.gz	VYVXEBPLDOMGJO-HRAATJIYSA-N	0	0	360.498	4.905	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C#N)c1	ZINC000225841235	571338653	/nfs/dbraw/zinc/33/86/53/571338653.db2.gz	KXICGWVYGPJYGZ-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
N#Cc1c(N)n(Cc2cccc3ccccc32)nc1Cc1ccccc1Cl	ZINC000225848666	571338667	/nfs/dbraw/zinc/33/86/67/571338667.db2.gz	ZETBCEHVTCGQGT-UHFFFAOYSA-N	0	0	372.859	4.783	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1	ZINC000225854662	571338716	/nfs/dbraw/zinc/33/87/16/571338716.db2.gz	VVAYQOFUCQTFNY-IIBYNOLFSA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1	ZINC000225855098	571338729	/nfs/dbraw/zinc/33/87/29/571338729.db2.gz	BARMDHKYTCGVNF-IERDGZPVSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225855443	571338767	/nfs/dbraw/zinc/33/87/67/571338767.db2.gz	AIOPKCIUQVFBCL-JTSKRJEESA-N	0	0	372.509	4.907	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC(C)CC1	ZINC000225856968	571338810	/nfs/dbraw/zinc/33/88/10/571338810.db2.gz	UGWOAWZYAZNPDE-UHFFFAOYSA-N	0	0	358.482	4.659	40	30		FJEBRN
CC[C@H](Sc1nc(C)c(C)c(C)c1C#N)C(=O)N[C@H](C)c1ccccc1	ZINC000261526717	210006999	/nfs/dbraw/zinc/00/69/99/210006999.db2.gz	HUEDJBPKAQDZFA-APWZRJJASA-N	0	0	367.518	4.627	40	30		FJEBRN
COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1OC	ZINC000000870199	219333841	/nfs/dbraw/zinc/33/38/41/219333841.db2.gz	VWOBGEJVWZZCGD-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1	ZINC000001236097	219392773	/nfs/dbraw/zinc/39/27/73/219392773.db2.gz	NZWRWOYYLFLPSY-HZHRSRAPSA-N	0	0	354.413	4.710	40	30		FJEBRN
O=C(Nc1ccccc1)OC(C#Cc1ccccc1)C#Cc1ccccc1	ZINC000001719657	219416888	/nfs/dbraw/zinc/41/68/88/219416888.db2.gz	FASZZKAGMOWTEJ-UHFFFAOYSA-N	0	0	351.405	4.707	40	30		FJEBRN
O/N=C1C(=C\c2ccc(F)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(F)cc1	ZINC000005891866	219704084	/nfs/dbraw/zinc/70/40/84/219704084.db2.gz	UXDMUBQZCGHXNL-JWUDJUKOSA-N	0	0	358.388	4.699	40	30		FJEBRN
COc1ccc(C(C)=NNc2ccnc3cc(Cl)ccc32)cc1OC	ZINC000007949651	219834724	/nfs/dbraw/zinc/83/47/24/219834724.db2.gz	ZIUROHVRQSDFSU-WSDLNYQXSA-N	0	0	355.825	4.742	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1C	ZINC000004849131	209426679	/nfs/dbraw/zinc/42/66/79/209426679.db2.gz	AJYLUVBRRCWYHL-UHFFFAOYSA-N	0	0	350.418	4.837	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1	ZINC000001223962	209386625	/nfs/dbraw/zinc/38/66/25/209386625.db2.gz	JNZBAJCYFSPEGL-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc12	ZINC000001223899	209386131	/nfs/dbraw/zinc/38/61/31/209386131.db2.gz	RHPPUCKOLNNZEB-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
C=CCC(C(=O)Nc1ccc(OC)nc1)(c1ccccc1)c1ccccc1	ZINC000225935641	209366239	/nfs/dbraw/zinc/36/62/39/209366239.db2.gz	SJUOVZSJKVCKKB-UHFFFAOYSA-N	0	0	358.441	4.591	40	30		FJEBRN
CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1	ZINC000000780240	209375583	/nfs/dbraw/zinc/37/55/83/209375583.db2.gz	VQSVQLMJUJINGU-UHFFFAOYSA-N	0	0	365.473	4.519	40	30		FJEBRN
Cc1cccc2c1C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2	ZINC000104160925	209259091	/nfs/dbraw/zinc/25/90/91/209259091.db2.gz	PIEYZMIRGFSWBW-PGMHBOJBSA-N	0	0	368.393	4.600	40	30		FJEBRN
C=CC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1ccsc1	ZINC000012660987	220016462	/nfs/dbraw/zinc/01/64/62/220016462.db2.gz	DNPFSUUCGFLNNH-UISDIUMDSA-N	0	0	359.907	4.900	40	30		FJEBRN
CCOC(=O)C(C)(C)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1	ZINC000017216299	220210973	/nfs/dbraw/zinc/21/09/73/220210973.db2.gz	SQBRVDDXUNNYPO-AUWJEWJLSA-N	0	0	372.848	4.957	40	30		FJEBRN
COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@@H](c3ccccc3)[C@@H]1CC2	ZINC000017949081	220219387	/nfs/dbraw/zinc/21/93/87/220219387.db2.gz	TUABOXZEXOEAHC-DECYMSNWSA-N	0	0	360.457	4.511	40	30		FJEBRN
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000000537745	206815431	/nfs/dbraw/zinc/81/54/31/206815431.db2.gz	GACKBTMUYYITHY-PEPYYZTCSA-N	0	0	362.485	4.788	40	30		FJEBRN
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C#N)CCC[C@]21C	ZINC000004403843	207018243	/nfs/dbraw/zinc/01/82/43/207018243.db2.gz	BELCZLRITOCYFD-BAGYTPMASA-N	0	0	353.462	4.659	40	30		FJEBRN
CCCC/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CCCC	ZINC000005520168	207104337	/nfs/dbraw/zinc/10/43/37/207104337.db2.gz	YGYRKLVCVBTIEC-SMNQVOTKSA-N	0	0	359.539	4.625	40	30		FJEBRN
Nc1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1	ZINC000006815735	207168406	/nfs/dbraw/zinc/16/84/06/207168406.db2.gz	SDPJVQZLJGLBPH-UHFFFAOYSA-N	0	0	363.804	4.787	40	30		FJEBRN
CCOc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1	ZINC000006870613	207173871	/nfs/dbraw/zinc/17/38/71/207173871.db2.gz	AHXQQNWAJJGOJM-FQHLDWHWSA-N	0	0	364.470	4.923	40	30		FJEBRN
Brc1ccccc1/C=N\N=C/c1ccccc1Br	ZINC000017379080	207620967	/nfs/dbraw/zinc/62/09/67/207620967.db2.gz	UQXSQQHKLNFMFJ-XFQWXJFMSA-N	0	0	366.056	4.665	40	30		FJEBRN
COc1ccc([C@H](CNc2oc(C)nc2C#N)c2c[nH]c3ccccc32)cc1	ZINC000094992876	209017681	/nfs/dbraw/zinc/01/76/81/209017681.db2.gz	VVZAWZCSFDYOHQ-SFHVURJKSA-N	0	0	372.428	4.589	40	30		FJEBRN
CC(C)N=Nc1nc2cc(C(F)(F)F)c(Br)cc2s1	ZINC000057327563	221086850	/nfs/dbraw/zinc/08/68/50/221086850.db2.gz	CYVSJXJXPLPYAA-UHFFFAOYSA-N	0	0	352.179	4.885	40	30		FJEBRN
Fc1cc(Br)cc(F)c1OC(F)(F)[C@@H](F)C(F)(F)F	ZINC000059087454	221124438	/nfs/dbraw/zinc/12/44/38/221124438.db2.gz	QSAUPLUHLMXWHD-ZETCQYMHSA-N	0	0	359.010	4.599	40	30		FJEBRN
C=CCSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000219805550	132374572	/nfs/dbraw/zinc/37/45/72/132374572.db2.gz	AOUSGLVDXROXJH-UHFFFAOYSA-N	0	0	372.921	4.581	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@@H]3C=CC[C@H]23)c1	ZINC000097991822	222219408	/nfs/dbraw/zinc/21/94/08/222219408.db2.gz	OOLPSPFENZMUGE-ZMVSXGSVSA-N	0	0	359.804	4.597	40	30		FJEBRN
O/N=C1/CCCCCCCCCC[C@@H]1Sc1nnnn1-c1ccccc1	ZINC000100965009	222257525	/nfs/dbraw/zinc/25/75/25/222257525.db2.gz	ABMJTRYZFJGKRL-HGBKYHTQSA-N	0	0	373.526	4.868	40	30		FJEBRN
CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1C	ZINC000103848063	222345316	/nfs/dbraw/zinc/34/53/16/222345316.db2.gz	UCZHHFXJUXHYPS-GRSHGNNSSA-N	0	0	364.239	4.543	40	30		FJEBRN
CC/N=c1/scc(-c2cccs2)n1/N=C/c1c(F)cccc1Cl	ZINC000102926844	222313098	/nfs/dbraw/zinc/31/30/98/222313098.db2.gz	GDBWRSQVUVALDL-WQBGIHHKSA-N	0	0	365.886	4.873	40	30		FJEBRN
O=C(/C=C/c1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21	ZINC000102947569	222314975	/nfs/dbraw/zinc/31/49/75/222314975.db2.gz	QTWWLSJVKGBMRC-OPAYKXJHSA-N	0	0	373.843	4.537	40	30		FJEBRN
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1	ZINC000006870433	263348104	/nfs/dbraw/zinc/34/81/04/263348104.db2.gz	VUPTYKCHUUCFJV-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(F)c1	ZINC000009141285	263359890	/nfs/dbraw/zinc/35/98/90/263359890.db2.gz	ANTDQYCCSJWFFW-UHFFFAOYSA-N	0	0	357.797	4.727	40	30		FJEBRN
C[C@H](C[C@H](C#N)NCCN[C@H](C#N)C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000019368133	263374353	/nfs/dbraw/zinc/37/43/53/263374353.db2.gz	FHEQJCCBJZWVQZ-WTGUMLROSA-N	0	0	362.606	4.875	40	30		FJEBRN
C#CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1	ZINC000033657926	263396576	/nfs/dbraw/zinc/39/65/76/263396576.db2.gz	GMFBGJLFSMNLBI-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c1O	ZINC000059461336	263419269	/nfs/dbraw/zinc/41/92/69/263419269.db2.gz	MSRFKKQYYFGFHH-BFVXURAPSA-N	0	0	368.414	4.591	40	30		FJEBRN
Fc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1	ZINC000059681188	263422168	/nfs/dbraw/zinc/42/21/68/263422168.db2.gz	XOTIJUGLEYOANP-HZHRSRAPSA-N	0	0	350.393	4.673	40	30		FJEBRN
C#CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O	ZINC000408830157	263499942	/nfs/dbraw/zinc/49/99/42/263499942.db2.gz	YEMJHMYLKUBMMZ-BOPFTXTBSA-N	0	0	371.255	4.791	40	30		FJEBRN
CCOc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1	ZINC000408870929	263502512	/nfs/dbraw/zinc/50/25/12/263502512.db2.gz	XXNIYRSHQKOAIJ-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
CCCCOc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1OC	ZINC000408982042	263514387	/nfs/dbraw/zinc/51/43/87/263514387.db2.gz	XKMBYHHQKYYYLH-UHFFFAOYSA-N	0	0	373.456	4.887	40	30		FJEBRN
Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1	ZINC000409202694	263541214	/nfs/dbraw/zinc/54/12/14/263541214.db2.gz	SYAMWOZFNBMNLT-XKZIYDEJSA-N	0	0	351.837	4.893	40	30		FJEBRN
C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1	ZINC000409328698	263549605	/nfs/dbraw/zinc/54/96/05/263549605.db2.gz	AAZVSLJVTWTBLY-AQTBWJFISA-N	0	0	367.495	4.966	40	30		FJEBRN
CC(CCC=Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016927877	518473864	/nfs/dbraw/zinc/47/38/64/518473864.db2.gz	CAKTYKSNWCLKJV-IKEDHZNGSA-N	0	0	354.366	4.784	40	30		FJEBRN
C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1	ZINC000224580954	518809685	/nfs/dbraw/zinc/80/96/85/518809685.db2.gz	WYZRKOTWPYIXHW-UHFFFAOYSA-N	0	0	359.491	4.590	40	30		FJEBRN
C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225052326	518810860	/nfs/dbraw/zinc/81/08/60/518810860.db2.gz	NCCVSXIRRPEKDS-UHFFFAOYSA-N	0	0	351.471	4.784	40	30		FJEBRN
C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224709604	518815243	/nfs/dbraw/zinc/81/52/43/518815243.db2.gz	MYDRRHWVAKAKAX-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224926835	518815764	/nfs/dbraw/zinc/81/57/64/518815764.db2.gz	GCGUGBARTMJPLF-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1	ZINC000223474473	519054443	/nfs/dbraw/zinc/05/44/43/519054443.db2.gz	WBWJEIVROZFPKL-UHFFFAOYSA-N	0	0	365.857	4.916	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCOc1ccc(C)c(Cl)c1	ZINC000224171807	519078230	/nfs/dbraw/zinc/07/82/30/519078230.db2.gz	MUUGEIIYDHOFEC-UHFFFAOYSA-N	0	0	361.894	4.735	40	30		FJEBRN
CC(=O)N(C)c1cc(/N=C/c2ccccc2)ccc1OCc1ccccc1	ZINC000017722879	519451077	/nfs/dbraw/zinc/45/10/77/519451077.db2.gz	ZJSBGLSFCBTBRQ-LFVJCYFKSA-N	0	0	358.441	4.999	40	30		FJEBRN
CCCn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21	ZINC000020196658	521620997	/nfs/dbraw/zinc/62/09/97/521620997.db2.gz	PIZFZQKFHKDPKE-BUVRLJJBSA-N	0	0	365.477	4.501	40	30		FJEBRN
COc1ccc(CN/N=C(\C)c2cc(C)c(OC(C)C)c(C)c2)cc1OC	ZINC000020196779	524016919	/nfs/dbraw/zinc/01/69/19/524016919.db2.gz	QINOGGXWTFUQCO-JJIBRWJFSA-N	0	0	370.493	4.622	40	30		FJEBRN
C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225659215	524407938	/nfs/dbraw/zinc/40/79/38/524407938.db2.gz	XCTJJJCUEJJSCX-INIZCTEOSA-N	0	0	351.519	4.795	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O	ZINC000208511760	534846348	/nfs/dbraw/zinc/84/63/48/534846348.db2.gz	ZAWDEWSCXZIPAK-PDGQHHTCSA-N	0	0	368.502	4.931	40	30		FJEBRN
CCCOc1c(C)cc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1C	ZINC000216058963	568103126	/nfs/dbraw/zinc/10/31/26/568103126.db2.gz	KXLMQGISRLMCGM-JJIBRWJFSA-N	0	0	370.493	4.623	40	30		FJEBRN
COc1ccc(CN/N=C(\C)c2cc(Cl)ccc2Cl)cc1OC	ZINC000216059051	568103138	/nfs/dbraw/zinc/10/31/38/568103138.db2.gz	ZGVGBAYJWMAWRV-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
CCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O	ZINC000408530199	570510661	/nfs/dbraw/zinc/51/06/61/570510661.db2.gz	JAJUBNLWNJDEKN-AQTBWJFISA-N	0	0	352.459	4.675	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl	ZINC000408532022	570513714	/nfs/dbraw/zinc/51/37/14/570513714.db2.gz	NFVSXDHKDWJZAZ-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O	ZINC000408533060	570514825	/nfs/dbraw/zinc/51/48/25/570514825.db2.gz	PMJWJGVTFNRUPM-GZTJUZNOSA-N	0	0	371.458	4.796	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O	ZINC000408534516	570515865	/nfs/dbraw/zinc/51/58/65/570515865.db2.gz	SSELQJHOHBAEBU-UYRXBGFRSA-N	0	0	365.454	4.796	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O	ZINC000408535828	570517971	/nfs/dbraw/zinc/51/79/71/570517971.db2.gz	XBCKEGSVRJQDHC-GHRIWEEISA-N	0	0	359.516	4.785	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1	ZINC000004849166	570535740	/nfs/dbraw/zinc/53/57/40/570535740.db2.gz	WOAYCFRQXAWHME-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
C#CCOc1ccc(CNc2ccccc2Cl)cc1Br	ZINC000006295408	570552874	/nfs/dbraw/zinc/55/28/74/570552874.db2.gz	CLBPIKRDYFLYLU-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
C#CCn1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21	ZINC000408556580	570553403	/nfs/dbraw/zinc/55/34/03/570553403.db2.gz	KSANDUCNHKWAMH-FQEVSTJZSA-N	0	0	366.873	4.707	40	30		FJEBRN
C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1	ZINC000408561699	570555149	/nfs/dbraw/zinc/55/51/49/570555149.db2.gz	KGYWAXSIBGFLPQ-UHFFFAOYSA-N	0	0	372.538	4.708	40	30		FJEBRN
Cc1ccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2)cc1	ZINC000408595515	570576021	/nfs/dbraw/zinc/57/60/21/570576021.db2.gz	XEXWXZYWYGUYTH-MFKUBSTISA-N	0	0	356.425	4.996	40	30		FJEBRN
CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OC(C)C	ZINC000408596703	570576683	/nfs/dbraw/zinc/57/66/83/570576683.db2.gz	SYODSTSYGYQZPL-FSJBWODESA-N	0	0	372.852	4.948	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000408597147	570577147	/nfs/dbraw/zinc/57/71/47/570577147.db2.gz	XILGFHFMZFBFJF-WSDLNYQXSA-N	0	0	374.425	4.729	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OCC	ZINC000006959230	570577849	/nfs/dbraw/zinc/57/78/49/570577849.db2.gz	LNKXRLKFZCWPID-FYJGNVAPSA-N	0	0	372.262	4.919	40	30		FJEBRN
CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)cc1	ZINC000408605871	570578055	/nfs/dbraw/zinc/57/80/55/570578055.db2.gz	ZAOCJGSMXSOMMW-LPYMAVHISA-N	0	0	353.491	4.537	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(C)C)S2)c(C)c1	ZINC000408600836	570579146	/nfs/dbraw/zinc/57/91/46/570579146.db2.gz	GMGZTXGFUXOKNY-UNOMPAQXSA-N	0	0	366.486	4.982	40	30		FJEBRN
Clc1ccc(N2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000004562516	570596416	/nfs/dbraw/zinc/59/64/16/570596416.db2.gz	OJSYIXQGQVYNGX-MTJSOVHGSA-N	0	0	368.695	4.803	40	30		FJEBRN
C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1	ZINC000224984625	570599647	/nfs/dbraw/zinc/59/96/47/570599647.db2.gz	OUNHPEHNGQZOMK-UHFFFAOYSA-N	0	0	367.923	4.752	40	30		FJEBRN
S=C(N/N=C/c1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2	ZINC000005048259	570619617	/nfs/dbraw/zinc/61/96/17/570619617.db2.gz	NPLOBFVLHXMWQL-OEAKJJBVSA-N	0	0	363.530	4.607	40	30		FJEBRN
CCn1c2ccccc2nc1NN=Cc1ccc(C)c(Br)c1	ZINC000408692626	570650203	/nfs/dbraw/zinc/65/02/03/570650203.db2.gz	RAGCRYVSUTWQDS-YBFXNURJSA-N	0	0	357.255	4.573	40	30		FJEBRN
CCOC(=O)Cn1c(C)c(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21	ZINC000408692613	570650245	/nfs/dbraw/zinc/65/02/45/570650245.db2.gz	QQSZGSACCOGYOX-BUHFOSPRSA-N	0	0	361.441	4.717	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)ccc1OC	ZINC000408702126	570655326	/nfs/dbraw/zinc/65/53/26/570655326.db2.gz	CSDHGJDZXUAGNI-UHFFFAOYSA-N	0	0	367.445	4.633	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1F	ZINC000408707968	570659231	/nfs/dbraw/zinc/65/92/31/570659231.db2.gz	UAYMUHTYCHTFAO-UHFFFAOYSA-N	0	0	368.468	4.940	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F	ZINC000408708923	570660366	/nfs/dbraw/zinc/66/03/66/570660366.db2.gz	NHZFDQBQLHJJCK-UHFFFAOYSA-N	0	0	358.404	4.511	40	30		FJEBRN
CC(C)c1ccc2nc(SCC(=O)N3CCC(C)CC3)c(C#N)cc2c1	ZINC000004848976	570670257	/nfs/dbraw/zinc/67/02/57/570670257.db2.gz	ZRSJHZNXXXIQDU-UHFFFAOYSA-N	0	0	367.518	4.580	40	30		FJEBRN
OCCOc1ccc(Br)cc1/C=N/c1ccc2ccccc2c1	ZINC000408719777	570674814	/nfs/dbraw/zinc/67/48/14/570674814.db2.gz	RRXOEXQSAGVFIO-FYJGNVAPSA-N	0	0	370.246	4.724	40	30		FJEBRN
N#Cc1c2c(sc1NC(=O)c1ncoc1-c1ccc(F)cc1)CCCC2	ZINC000005001944	570675074	/nfs/dbraw/zinc/67/50/74/570675074.db2.gz	RIAKPFUQYSYBIA-UHFFFAOYSA-N	0	0	367.405	4.545	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O	ZINC000408765060	570680650	/nfs/dbraw/zinc/68/06/50/570680650.db2.gz	JYSKWFHWMNOWHT-AQTBWJFISA-N	0	0	352.459	4.539	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl	ZINC000408785068	570687277	/nfs/dbraw/zinc/68/72/77/570687277.db2.gz	XSHHNFCTIUUACX-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
C[C@H](NC(=O)COc1ccc(/C=N\c2ccccc2)cc1)c1ccccc1	ZINC000408806266	570688171	/nfs/dbraw/zinc/68/81/71/570688171.db2.gz	IMNADADMBZLMOQ-WSLHGYQHSA-N	0	0	358.441	4.693	40	30		FJEBRN
CCOc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1	ZINC000408818803	570689490	/nfs/dbraw/zinc/68/94/90/570689490.db2.gz	QQLTYHBYKXHTAA-UNOMPAQXSA-N	0	0	363.255	4.792	40	30		FJEBRN
COc1cccc(/N=C/c2cc(Br)c(Br)o2)c1	ZINC000408851966	570692027	/nfs/dbraw/zinc/69/20/27/570692027.db2.gz	OJDZVTSASYULRH-VIZOYTHASA-N	0	0	359.017	4.564	40	30		FJEBRN
COc1ccc(C/N=C\c2cccn2-c2ccc(Br)cc2)cc1	ZINC000408857716	570692856	/nfs/dbraw/zinc/69/28/56/570692856.db2.gz	PKMDKIYSSBQNFV-STZFKDTASA-N	0	0	369.262	4.868	40	30		FJEBRN
COc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1	ZINC000408857061	570693030	/nfs/dbraw/zinc/69/30/30/570693030.db2.gz	KNPKINWMHMTPCK-MOSHPQCFSA-N	0	0	355.235	4.999	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N	ZINC000225761300	570697701	/nfs/dbraw/zinc/69/77/01/570697701.db2.gz	MLXVWPIDHIXSAO-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C)cc1	ZINC000408908059	570697957	/nfs/dbraw/zinc/69/79/57/570697957.db2.gz	DILHKACPJGCBJG-FOLIBTTPSA-N	0	0	361.470	4.721	40	30		FJEBRN
COC(=O)c1ccc(C)c(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1	ZINC000408911630	570698367	/nfs/dbraw/zinc/69/83/67/570698367.db2.gz	AFXBKWOBJGZDFP-SSDVNMTOSA-N	0	0	363.369	4.521	40	30		FJEBRN
Cc1ccc(COc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408910503	570698490	/nfs/dbraw/zinc/69/84/90/570698490.db2.gz	KRCHIBCNHLNCEN-HMAPJEAMSA-N	0	0	361.401	4.928	40	30		FJEBRN
CC(C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408911746	570698501	/nfs/dbraw/zinc/69/85/01/570698501.db2.gz	OGXIJCSIFXIWNP-QHHAONBESA-N	0	0	367.430	4.607	40	30		FJEBRN
COc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c([N+](=O)[O-])c1	ZINC000408918336	570699502	/nfs/dbraw/zinc/69/95/02/570699502.db2.gz	JJBPLFDJRQBPFT-UFFVCSGVSA-N	0	0	365.345	4.696	40	30		FJEBRN
COc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cc2)cc1OC	ZINC000408933040	570700706	/nfs/dbraw/zinc/70/07/06/570700706.db2.gz	GXUFJQOOFPIKBK-NKVSQWTQSA-N	0	0	358.747	4.822	40	30		FJEBRN
CCOc1ccccc1/N=C\c1cc(Br)c(Br)o1	ZINC000408949808	570701957	/nfs/dbraw/zinc/70/19/57/570701957.db2.gz	CHLLFDYRSGFHFE-PXNMLYILSA-N	0	0	373.044	4.954	40	30		FJEBRN
COC(=O)c1cc(/N=C/c2cccn2-c2ccc(OC)cc2)ccc1Cl	ZINC000408954447	570702470	/nfs/dbraw/zinc/70/24/70/570702470.db2.gz	SZMXIWRSSUWIEN-LPYMAVHISA-N	0	0	368.820	4.677	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)S2)cc1	ZINC000408960175	570702985	/nfs/dbraw/zinc/70/29/85/570702985.db2.gz	DAQZKUFJFFDUSB-XSFVSMFZSA-N	0	0	373.481	4.986	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F	ZINC000408963457	570704219	/nfs/dbraw/zinc/70/42/19/570704219.db2.gz	DJJGZHMRRIJCGP-SSZFMOIBSA-N	0	0	372.346	4.600	40	30		FJEBRN
COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)nn(C)c1C	ZINC000408976098	570706247	/nfs/dbraw/zinc/70/62/47/570706247.db2.gz	PBZPZZJSMMSLRW-KEBDBYFISA-N	0	0	372.266	4.712	40	30		FJEBRN
O/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1	ZINC000011803756	570707064	/nfs/dbraw/zinc/70/70/64/570707064.db2.gz	PVEACFCEUJSMPR-RGVLZGJSSA-N	0	0	356.219	4.989	40	30		FJEBRN
CCCOc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1	ZINC000408990531	570708427	/nfs/dbraw/zinc/70/84/27/570708427.db2.gz	NSOQMJLKDIAAIY-ATVHPVEESA-N	0	0	356.422	4.506	40	30		FJEBRN
Cc1ccc(-n2cccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409011788	570712664	/nfs/dbraw/zinc/71/26/64/570712664.db2.gz	HREDJSSJHXWXIX-UDWIEESQSA-N	0	0	354.797	4.793	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(/N=C/c2cccc(OC)c2OC(C)C)c1	ZINC000409017216	570713341	/nfs/dbraw/zinc/71/33/41/570713341.db2.gz	XWCAKSDYYHIIIE-SRZZPIQSSA-N	0	0	361.825	4.673	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Cl)c(Cl)c1	ZINC000409031001	570714756	/nfs/dbraw/zinc/71/47/56/570714756.db2.gz	GEXDWUSVDQNZBX-YQLNASGTSA-N	0	0	357.056	4.707	40	30		FJEBRN
CCOc1cc(/C=N/O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409083923	570720324	/nfs/dbraw/zinc/72/03/24/570720324.db2.gz	WMTMXEXLZWHLEC-AWQFTUOYSA-N	0	0	370.283	4.613	40	30		FJEBRN
COc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1C(C)C	ZINC000409093933	570721105	/nfs/dbraw/zinc/72/11/05/570721105.db2.gz	BTLQWOJCVWRBMS-NUGSKGIGSA-N	0	0	351.372	4.987	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OC	ZINC000409111396	570725543	/nfs/dbraw/zinc/72/55/43/570725543.db2.gz	AIHVWNZJTGBCMA-UHFFFAOYSA-N	0	0	350.245	4.935	40	30		FJEBRN
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409157411	570734187	/nfs/dbraw/zinc/73/41/87/570734187.db2.gz	QTIDDCTVNLBTHL-DBXWQHBBSA-N	0	0	361.401	4.632	40	30		FJEBRN
COC(=O)c1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000409184718	570737678	/nfs/dbraw/zinc/73/76/78/570737678.db2.gz	ZWGNKAJRCIVIJP-CMDGGOBGSA-N	0	0	350.201	4.589	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(F)cc1	ZINC000409225783	570741723	/nfs/dbraw/zinc/74/17/23/570741723.db2.gz	KZUIDQWBHUNFII-OUUNKBNMSA-N	0	0	369.465	4.516	40	30		FJEBRN
COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1O	ZINC000409217540	570741968	/nfs/dbraw/zinc/74/19/68/570741968.db2.gz	PVLPTBOTSSARJC-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccc(OC)cc1	ZINC000409224001	570742654	/nfs/dbraw/zinc/74/26/54/570742654.db2.gz	GZMFSXVYBDQMFV-HWWZFDGNSA-N	0	0	372.877	4.973	40	30		FJEBRN
CCc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1	ZINC000409279016	570748131	/nfs/dbraw/zinc/74/81/31/570748131.db2.gz	GDTZSEVPMPTZAF-UHFFFAOYSA-N	0	0	359.473	4.889	40	30		FJEBRN
Cc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)s1	ZINC000409294723	570748371	/nfs/dbraw/zinc/74/83/71/570748371.db2.gz	BOZALMNDVUVVAF-UHFFFAOYSA-N	0	0	351.475	4.696	40	30		FJEBRN
O=C1c2ccccc2C/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000409369334	570753817	/nfs/dbraw/zinc/75/38/17/570753817.db2.gz	KZLPLHMSGPFLRC-XDHOZWIPSA-N	0	0	371.392	4.996	40	30		FJEBRN
CC(C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)c(OC(C)C)c1	ZINC000409393201	570756450	/nfs/dbraw/zinc/75/64/50/570756450.db2.gz	VOODSZHPHYVCFD-UHFFFAOYSA-N	0	0	350.414	4.724	40	30		FJEBRN
CCc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1	ZINC000409406394	570758222	/nfs/dbraw/zinc/75/82/22/570758222.db2.gz	QJYHACWYKFSVFO-UHFFFAOYSA-N	0	0	353.425	4.508	40	30		FJEBRN
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3O)c2C)cc1	ZINC000100212028	570759657	/nfs/dbraw/zinc/75/96/57/570759657.db2.gz	PCUYFBZVZQNDRP-OEAKJJBVSA-N	0	0	362.429	4.727	40	30		FJEBRN
O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1ccc(F)cc1	ZINC000100416826	570760345	/nfs/dbraw/zinc/76/03/45/570760345.db2.gz	PLUYDTHBRYVPAR-CFRMEGHHSA-N	0	0	366.367	4.733	40	30		FJEBRN
CCOc1c(Br)cc(/C=C2\Cc3ccccc3C2=O)cc1OC	ZINC000003517163	570770963	/nfs/dbraw/zinc/77/09/63/570770963.db2.gz	NKAZCGPOIPGDAG-RIYZIHGNSA-N	0	0	373.246	4.679	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1OC	ZINC000103762850	570772374	/nfs/dbraw/zinc/77/23/74/570772374.db2.gz	SJMFNKNJXWXSFS-UHFFFAOYSA-N	0	0	362.514	4.671	40	30		FJEBRN
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F	ZINC000006926595	570785581	/nfs/dbraw/zinc/78/55/81/570785581.db2.gz	CJXRMGGGOCVOOH-UHFFFAOYSA-N	0	0	351.147	4.723	40	30		FJEBRN
COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1	ZINC000010118797	570813576	/nfs/dbraw/zinc/81/35/76/570813576.db2.gz	BQGRZLXUQQOSCH-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
CCC(C)N=Nc1nc2c(s1)c(C)c(I)cc2C	ZINC000040542221	571018591	/nfs/dbraw/zinc/01/85/91/571018591.db2.gz	USEPLBAURWURTF-PXNMLYILSA-N	0	0	373.263	4.716	40	30		FJEBRN
C(=N\N1CCN(c2ccccn2)CC1)\c1c2ccccc2cc2ccccc21	ZINC000028349836	571031360	/nfs/dbraw/zinc/03/13/60/571031360.db2.gz	PUAUSEBFNSFDCJ-ITYLOYPMSA-N	0	0	366.468	4.544	40	30		FJEBRN
C=C(CN(CC(=C)C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1	ZINC000031768621	571055583	/nfs/dbraw/zinc/05/55/83/571055583.db2.gz	ZNBGMAWFRAVLSE-UHFFFAOYSA-N	0	0	361.485	4.965	40	30		FJEBRN
N#Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1	ZINC000006548238	571071339	/nfs/dbraw/zinc/07/13/39/571071339.db2.gz	VTCMMRXYEIXZTB-FYJGNVAPSA-N	0	0	350.219	4.862	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C#N	ZINC000225832521	571071897	/nfs/dbraw/zinc/07/18/97/571071897.db2.gz	UEHONGFZKAFSOO-IERDGZPVSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CCOc2ccc(Cl)cc2)c1	ZINC000225862971	571075971	/nfs/dbraw/zinc/07/59/71/571075971.db2.gz	WVRVACLTEUJWTL-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
C=CCN(CC=C)C(=O)c1ccc2sc3nc4ccccc4nc3c2c1	ZINC000033780269	571085663	/nfs/dbraw/zinc/08/56/63/571085663.db2.gz	XZNJQANCSBZFRW-UHFFFAOYSA-N	0	0	359.454	4.812	40	30		FJEBRN
COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)cc2)cc1	ZINC000058872343	571086481	/nfs/dbraw/zinc/08/64/81/571086481.db2.gz	FSUFARKHDRZWEN-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1	ZINC000059461345	571089572	/nfs/dbraw/zinc/08/95/72/571089572.db2.gz	YEGPUHDBIISOIX-SLCIEKFFSA-N	0	0	352.415	4.886	40	30		FJEBRN
O=[N+]([O-])c1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1	ZINC000059461366	571089576	/nfs/dbraw/zinc/08/95/76/571089576.db2.gz	DEAVLNIPSOYFSN-OTMUCCKHSA-N	0	0	367.386	4.785	40	30		FJEBRN
COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1	ZINC000059461352	571089595	/nfs/dbraw/zinc/08/95/95/571089595.db2.gz	PUYIVSBGDIAMIJ-YZJQUUSSSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1	ZINC000059461350	571089658	/nfs/dbraw/zinc/08/96/58/571089658.db2.gz	PUYIVSBGDIAMIJ-XENGFHBVSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1	ZINC000059461351	571089701	/nfs/dbraw/zinc/08/97/01/571089701.db2.gz	PUYIVSBGDIAMIJ-LNSJNNGNSA-N	0	0	352.415	4.886	40	30		FJEBRN
CC(=O)Nc1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C#N)cc1)N2	ZINC000004623713	571115289	/nfs/dbraw/zinc/11/52/89/571115289.db2.gz	OILWODRAFQCEER-JCMXLGDNSA-N	0	0	357.457	4.813	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)ccc1OC	ZINC000020491261	571141349	/nfs/dbraw/zinc/14/13/49/571141349.db2.gz	CDZBTQFRIVBHHD-UHFFFAOYSA-N	0	0	373.836	4.506	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1	ZINC000216822196	571147672	/nfs/dbraw/zinc/14/76/72/571147672.db2.gz	FSSUXPDODCHRGG-UHFFFAOYSA-N	0	0	364.800	4.800	40	30		FJEBRN
C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C	ZINC000034227813	571166728	/nfs/dbraw/zinc/16/67/28/571166728.db2.gz	RXVZJHDMMKTKDR-UHFFFAOYSA-N	0	0	360.457	4.780	40	30		FJEBRN
CCOc1cc(C#N)cc(Br)c1OCc1ccccc1Cl	ZINC000005953446	571169358	/nfs/dbraw/zinc/16/93/58/571169358.db2.gz	XWLBAQVCGSQXRI-UHFFFAOYSA-N	0	0	366.642	4.952	40	30		FJEBRN
C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	ZINC000217764922	571173447	/nfs/dbraw/zinc/17/34/47/571173447.db2.gz	VKPRZPUDSATFGP-UHFFFAOYSA-N	0	0	363.457	4.934	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)c1	ZINC000219793485	571174925	/nfs/dbraw/zinc/17/49/25/571174925.db2.gz	XDJLNVOQCHODBG-LJQANCHMSA-N	0	0	369.461	4.540	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1	ZINC000219788464	571174933	/nfs/dbraw/zinc/17/49/33/571174933.db2.gz	QLFAQGNAORMKHN-UHFFFAOYSA-N	0	0	367.489	4.791	40	30		FJEBRN
C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1	ZINC000219818616	571175272	/nfs/dbraw/zinc/17/52/72/571175272.db2.gz	MUXSALWEMNZMLO-QGZVFWFLSA-N	0	0	371.502	4.863	40	30		FJEBRN
Cc1cc(C)c2c(c1)/C(=N\NC(=S)Nc1ccc(Cl)cc1)CCC2	ZINC000038199621	571185533	/nfs/dbraw/zinc/18/55/33/571185533.db2.gz	ZWMRRMUWCYPEJC-PYCFMQQDSA-N	0	0	357.910	4.984	40	30		FJEBRN
C=C(Cl)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13	ZINC000006624444	571204844	/nfs/dbraw/zinc/20/48/44/571204844.db2.gz	JVFDBMHVNJIXAZ-UHFFFAOYSA-N	0	0	360.800	4.723	40	30		FJEBRN
C=CCO/N=C(\CCC)[C@H]1/C(=N/OCC)CC(C)(C)C/C1=N/OCC	ZINC000257345418	571216803	/nfs/dbraw/zinc/21/68/03/571216803.db2.gz	VVKYCMXPCMOVKQ-KGMBEUJESA-N	0	0	351.491	4.566	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1	ZINC000222857923	571237289	/nfs/dbraw/zinc/23/72/89/571237289.db2.gz	HREPDAWOWHIRCS-INIZCTEOSA-N	0	0	351.446	4.536	40	30		FJEBRN
Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(C#N)(CC1)CC2	ZINC000091302046	571238733	/nfs/dbraw/zinc/23/87/33/571238733.db2.gz	XPQXRUBWAXFEBJ-UHFFFAOYSA-N	0	0	360.383	4.616	40	30		FJEBRN
O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccccc1[N+](=O)[O-]	ZINC000001681960	571248559	/nfs/dbraw/zinc/24/85/59/571248559.db2.gz	OUPIYWLOWVJIGA-RRXSNJIPSA-N	0	0	357.365	4.995	40	30		FJEBRN
COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1OC	ZINC000019561494	571277668	/nfs/dbraw/zinc/27/76/68/571277668.db2.gz	HAZIFIXNCLUUHV-UHFFFAOYSA-N	0	0	365.820	4.540	40	30		FJEBRN
COc1ccc2ccccc2c1C=NN1C(=S)N=NC1C1CCCCC1	ZINC000245241755	571290158	/nfs/dbraw/zinc/29/01/58/571290158.db2.gz	OFJSCIWFAANHAS-UHFFFAOYSA-N	0	0	366.490	4.659	40	30		FJEBRN
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(O)cc2)o1	ZINC000006579624	571296712	/nfs/dbraw/zinc/29/67/12/571296712.db2.gz	YEKCNCGQJROWCX-SRZZPIQSSA-N	0	0	355.777	4.843	40	30		FJEBRN
CC(C)Oc1ccc(C=NNc2nc3ccccc3n2C)c(OC(C)C)c1	ZINC000007343389	571298717	/nfs/dbraw/zinc/29/87/17/571298717.db2.gz	JMUKKRADVDKTBT-LPYMAVHISA-N	0	0	366.465	4.594	40	30		FJEBRN
Cn1c2ccccc2nc1NN=Cc1ccccc1OCc1ccccc1	ZINC000007343308	571298750	/nfs/dbraw/zinc/29/87/50/571298750.db2.gz	GBVNAXFEUSDYMJ-HZHRSRAPSA-N	0	0	356.429	4.598	40	30		FJEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(C(C)(C)C)cc1	ZINC000008221902	571300606	/nfs/dbraw/zinc/30/06/06/571300606.db2.gz	XCDRXCHFSOTPCT-GYXJVLCKSA-N	0	0	367.445	4.725	40	30		FJEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000008183033	571300700	/nfs/dbraw/zinc/30/07/00/571300700.db2.gz	YNLUJVWUKFEIMH-QGMBQPNBSA-N	0	0	367.261	4.578	40	30		FJEBRN
COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1O	ZINC000008277717	571300810	/nfs/dbraw/zinc/30/08/10/571300810.db2.gz	BLDQYGTWVWYRCW-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
CSc1ccccc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C	ZINC000008334692	571300918	/nfs/dbraw/zinc/30/09/18/571300918.db2.gz	VCLCPLKHIPVOSL-HYARGMPZSA-N	0	0	363.486	4.961	40	30		FJEBRN
CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OC	ZINC000008811932	571302153	/nfs/dbraw/zinc/30/21/53/571302153.db2.gz	RCBVWEVGFAPFKE-KEBDBYFISA-N	0	0	353.249	4.524	40	30		FJEBRN
CCOc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1	ZINC000010119014	571302791	/nfs/dbraw/zinc/30/27/91/571302791.db2.gz	GYCKYPLPBWUEBE-RGVLZGJSSA-N	0	0	367.674	4.625	40	30		FJEBRN
COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OC(C)C	ZINC000010119057	571302804	/nfs/dbraw/zinc/30/28/04/571302804.db2.gz	QXEMSOAHBCZGDK-SSDVNMTOSA-N	0	0	367.276	4.913	40	30		FJEBRN
Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2cc(C)c(O)c(C)c2)S1	ZINC000107713199	571310814	/nfs/dbraw/zinc/31/08/14/571310814.db2.gz	RGFNDJYDXFBKTP-PXNMLYILSA-N	0	0	372.877	4.862	40	30		FJEBRN
O=C(C=CNCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1	ZINC000110185135	571310968	/nfs/dbraw/zinc/31/09/68/571310968.db2.gz	JUBHABXTKIHSJP-OUKQBFOZSA-N	0	0	357.409	4.569	40	30		FJEBRN
COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)c2ccccc12	ZINC000408978511	571319462	/nfs/dbraw/zinc/31/94/62/571319462.db2.gz	IVSJCDMBMKZMHI-UHFFFAOYSA-N	0	0	351.409	4.862	40	30		FJEBRN
Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000409158943	571319522	/nfs/dbraw/zinc/31/95/22/571319522.db2.gz	YQSZFWAZSCQWKK-VXLYETTFSA-N	0	0	373.437	4.585	40	30		FJEBRN
C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1	ZINC000019805805	571327382	/nfs/dbraw/zinc/32/73/82/571327382.db2.gz	UDUFCCGBFXOBBO-QLYXXIJNSA-N	0	0	369.512	4.818	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N	ZINC000225683424	571337824	/nfs/dbraw/zinc/33/78/24/571337824.db2.gz	LEXDNGBPDWJKCW-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N	ZINC000225762689	571338180	/nfs/dbraw/zinc/33/81/80/571338180.db2.gz	SSKNKUZIMASVCX-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225833326	571338544	/nfs/dbraw/zinc/33/85/44/571338544.db2.gz	PHFDMQYKMAROEU-HRAATJIYSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1	ZINC000225855140	571338719	/nfs/dbraw/zinc/33/87/19/571338719.db2.gz	BARMDHKYTCGVNF-KKSFZXQISA-N	0	0	358.482	4.661	40	30		FJEBRN
N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccccc1Cl	ZINC000225854274	571338725	/nfs/dbraw/zinc/33/87/25/571338725.db2.gz	BGIHBDYYVNBTAX-UHFFFAOYSA-N	0	0	356.256	4.888	40	30		FJEBRN
COc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc32)c1	ZINC000225884158	571338905	/nfs/dbraw/zinc/33/89/05/571338905.db2.gz	GCBOJFUXFYNXCX-UHFFFAOYSA-N	0	0	369.424	4.944	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1OC	ZINC000218658145	222685607	/nfs/dbraw/zinc/68/56/07/222685607.db2.gz	MJBCTFCIUVEJQR-LJQANCHMSA-N	0	0	365.473	4.764	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCSCc1ccc(C)cc1	ZINC000219799232	222707869	/nfs/dbraw/zinc/70/78/69/222707869.db2.gz	STEVGMOEPRLRRK-UHFFFAOYSA-N	0	0	357.544	4.936	40	30		FJEBRN
CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2	ZINC000000799903	219322390	/nfs/dbraw/zinc/32/23/90/219322390.db2.gz	YZQAGQSBRXWVTD-DQAKUKQTSA-N	0	0	372.446	4.708	40	30		FJEBRN
c1ccc([C@H]2CC(N=Nc3nncc4ccccc43)c3ccccc3O2)cc1	ZINC000033044115	209856171	/nfs/dbraw/zinc/85/61/71/209856171.db2.gz	BJYJRGGQZWMCOO-IVYNLYIOSA-N	0	0	366.424	4.970	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225855408	209840871	/nfs/dbraw/zinc/84/08/71/209840871.db2.gz	AIOPKCIUQVFBCL-VGSWGCGISA-N	0	0	372.509	4.907	40	30		FJEBRN
Cc1cc(-c2cccs2)nc(SCC(=O)c2ccccc2)c1C#N	ZINC000001073787	219365589	/nfs/dbraw/zinc/36/55/89/219365589.db2.gz	JXLUQSABAIZLNS-UHFFFAOYSA-N	0	0	350.468	4.965	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1	ZINC000001354364	219398436	/nfs/dbraw/zinc/39/84/36/219398436.db2.gz	NMIOWSGHNRNZFK-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=C1C[C@]2(CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O	ZINC000118936604	209622110	/nfs/dbraw/zinc/62/21/10/209622110.db2.gz	WGTHPOGRDPMMBQ-FBCDCLDFSA-N	0	0	356.506	4.552	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C#N)cc2c1	ZINC000004849178	219613999	/nfs/dbraw/zinc/61/39/99/219613999.db2.gz	MILHJYYKQDGODH-KBXCAEBGSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc(C)ccc1C#N	ZINC000005587795	219690646	/nfs/dbraw/zinc/69/06/46/219690646.db2.gz	RJOIYRFZPJUGSW-UHFFFAOYSA-N	0	0	369.833	4.811	40	30		FJEBRN
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc([N+](=O)[O-])cc1C	ZINC000004953197	209429979	/nfs/dbraw/zinc/42/99/79/209429979.db2.gz	GEXDZTCPBXXBDG-RGVLZGJSSA-N	0	0	354.797	4.801	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1	ZINC000004849078	209427327	/nfs/dbraw/zinc/42/73/27/209427327.db2.gz	LEOPSLTYHHHBOI-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CCCCCCCC[C@H]1O[C@H]1CCCCCCCCOC[C@H](O)CO	ZINC000104049771	209258597	/nfs/dbraw/zinc/25/85/97/209258597.db2.gz	CIIHZROFUPCXTE-NJYVYQBISA-N	0	0	358.563	4.605	40	30		FJEBRN
O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCS1	ZINC000103538546	209253470	/nfs/dbraw/zinc/25/34/70/209253470.db2.gz	CSSFKJAFDXXQGS-VAWYXSNFSA-N	0	0	352.480	4.843	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC(c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000017159808	220206773	/nfs/dbraw/zinc/20/67/73/220206773.db2.gz	JROKPHOMKXLVLN-CZIZESTLSA-N	0	0	354.366	4.509	40	30		FJEBRN
O=[N+]([O-])c1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2	ZINC000018178453	220226743	/nfs/dbraw/zinc/22/67/43/220226743.db2.gz	WYFFTUUXAVQKJF-SSDVNMTOSA-N	0	0	358.353	4.645	40	30	in-vitro	FJEBRN
N#Cc1c(N)n(-c2cc(F)ccc2F)nc1-c1ccc(Cl)cc1Cl	ZINC000039955356	206659730	/nfs/dbraw/zinc/65/97/30/206659730.db2.gz	VERSVQOAHCOHHL-UHFFFAOYSA-N	0	0	365.170	4.578	40	30		FJEBRN
Cc1nc(SCc2cc3c(cc2Cl)OCO3)c(C#N)c2c1CCCC2	ZINC000001476214	206885509	/nfs/dbraw/zinc/88/55/09/206885509.db2.gz	OONBMODJAILBAW-UHFFFAOYSA-N	0	0	372.877	4.815	40	30		FJEBRN
COc1cc(/C=N\c2cc(N)cc(-c3nc4ccccc4o3)c2)ccc1O	ZINC000005335133	207094829	/nfs/dbraw/zinc/09/48/29/207094829.db2.gz	RCJKVDZWYGDIMV-FMCGGJTJSA-N	0	0	359.385	4.542	40	30		FJEBRN
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(CC)cc3)S2)cc1	ZINC000005551585	207105640	/nfs/dbraw/zinc/10/56/40/207105640.db2.gz	YUNZXCTUXAYUCO-AQTBWJFISA-N	0	0	352.459	4.539	40	30		FJEBRN
CC1(C)Cc2oc(=O)c(C#N)c(-c3c(Cl)cccc3Cl)c2C(=O)C1	ZINC000005705906	207113713	/nfs/dbraw/zinc/11/37/13/207113713.db2.gz	CRQYDRSXLFWGGW-UHFFFAOYSA-N	0	0	362.212	4.640	40	30		FJEBRN
Cc1cc(CN=Nc2ccccn2)c(C)n1-c1ccc(Br)cc1	ZINC000005739667	207115487	/nfs/dbraw/zinc/11/54/87/207115487.db2.gz	GYBXJQZTWSFAKK-CIAFOILYSA-N	0	0	369.266	4.698	40	30		FJEBRN
CC1(C)CC(=O)C=C(Nn2cnc3scc(-c4ccccc4)c3c2=O)C1	ZINC000005839143	207118468	/nfs/dbraw/zinc/11/84/68/207118468.db2.gz	ZAHXDYFBZSQXFG-HYARGMPZSA-N	0	0	365.458	4.591	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(Cl)c2Cl)cc1	ZINC000006032891	207126509	/nfs/dbraw/zinc/12/65/09/207126509.db2.gz	XBYUOPYNKSCEAM-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC2=C(Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1	ZINC000006514172	207143123	/nfs/dbraw/zinc/14/31/23/207143123.db2.gz	NYAUQRQETLBWBV-QTBZMJKBSA-N	0	0	366.377	4.929	40	30		FJEBRN
C=CCOC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000073634053	208187556	/nfs/dbraw/zinc/18/75/56/208187556.db2.gz	PUYGOHKPQSAONP-UHFFFAOYSA-N	0	0	358.191	4.600	40	30		FJEBRN
O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000020533726	220331517	/nfs/dbraw/zinc/33/15/17/220331517.db2.gz	LQSXETYRUCFCQN-LPYMAVHISA-N	0	0	358.401	4.561	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2cc1C	ZINC000034791522	220762390	/nfs/dbraw/zinc/76/23/90/220762390.db2.gz	QKPXIIAMCXJPGO-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)C2	ZINC000039881075	220867896	/nfs/dbraw/zinc/86/78/96/220867896.db2.gz	AZKXBBBYDKHVRT-PIGZYNQJSA-N	0	0	352.247	4.909	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C/C(=O)/N=C(/c1ccccc1)C(F)(F)F	ZINC000057531542	221090490	/nfs/dbraw/zinc/09/04/90/221090490.db2.gz	IIRUENSQVALQOF-LEVAKHSJSA-N	0	0	372.390	4.876	40	30		FJEBRN
FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2ccc(Cl)cc2)c1	ZINC000102957938	132236136	/nfs/dbraw/zinc/23/61/36/132236136.db2.gz	GYDWQQKYNJGHFF-FSJBWODESA-N	0	0	368.786	4.946	40	30		FJEBRN
O=[N+]([O-])c1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2	ZINC000100136601	222235642	/nfs/dbraw/zinc/23/56/42/222235642.db2.gz	WYFFTUUXAVQKJF-JJFYIABZSA-N	0	0	358.353	4.645	40	30	in-vitro	FJEBRN
COc1ccccc1CN/N=C/c1cccc(OCc2ccc(F)cc2)c1	ZINC000020762909	263382429	/nfs/dbraw/zinc/38/24/29/263382429.db2.gz	QWMLWHCCUUPHLR-ZVHZXABRSA-N	0	0	364.420	4.537	40	30		FJEBRN
COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	ZINC000408738337	263494235	/nfs/dbraw/zinc/49/42/35/263494235.db2.gz	VIRTYGUCNZTVNJ-YDZHTSKRSA-N	0	0	350.393	4.770	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1	ZINC000408742146	263495405	/nfs/dbraw/zinc/49/54/05/263495405.db2.gz	NKFVYHUVFWBAIY-OEAKJJBVSA-N	0	0	362.429	4.640	40	30		FJEBRN
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1	ZINC000408882045	263504487	/nfs/dbraw/zinc/50/44/87/263504487.db2.gz	MWXLUSSTZDYLOJ-BOPFTXTBSA-N	0	0	371.893	4.606	40	30		FJEBRN
C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC	ZINC000408911553	263506527	/nfs/dbraw/zinc/50/65/27/263506527.db2.gz	NVTKEKMNKGFNHW-STZFKDTASA-N	0	0	369.421	4.567	40	30		FJEBRN
Cc1cc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc([N+](=O)[O-])c1C	ZINC000408910221	263506531	/nfs/dbraw/zinc/50/65/31/263506531.db2.gz	JRIVEABCBBUVDN-UFFVCSGVSA-N	0	0	364.357	4.951	40	30		FJEBRN
COc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1	ZINC000408952679	263509276	/nfs/dbraw/zinc/50/92/76/263509276.db2.gz	MDKHIUPOWKEQHV-MOSHPQCFSA-N	0	0	355.235	4.999	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)c1	ZINC000408966853	263511831	/nfs/dbraw/zinc/51/18/31/263511831.db2.gz	NVEMCIKTRALOIR-MFKUBSTISA-N	0	0	371.440	4.893	40	30		FJEBRN
N#CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc1	ZINC000408989544	263514776	/nfs/dbraw/zinc/51/47/76/263514776.db2.gz	LENHGBWKUNUZBA-UHFFFAOYSA-N	0	0	365.458	4.625	40	30		FJEBRN
CC[C@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000409030018	263517987	/nfs/dbraw/zinc/51/79/87/263517987.db2.gz	BPRULXRBKORSCC-BPJMFIHVSA-N	0	0	360.273	4.578	40	30		FJEBRN
C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC	ZINC000409081118	263522424	/nfs/dbraw/zinc/52/24/24/263522424.db2.gz	OQVZGKZSSGPHKH-KGENOOAVSA-N	0	0	354.406	4.871	40	30		FJEBRN
Cc1cc(/N=C/c2ccc(N3CCOCC3)cc2C)ccc1Br	ZINC000409073931	263522624	/nfs/dbraw/zinc/52/26/24/263522624.db2.gz	OENOOCJVSRJTLO-FYJGNVAPSA-N	0	0	373.294	4.653	40	30		FJEBRN
N#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O	ZINC000409090506	263524107	/nfs/dbraw/zinc/52/41/07/263524107.db2.gz	QYZGGTZBAIDMQC-MOSHPQCFSA-N	0	0	358.422	4.827	40	30		FJEBRN
O=[N+]([O-])c1cccnc1N=NCc1ccc(Sc2ccccc2)cc1	ZINC000409120445	263529556	/nfs/dbraw/zinc/52/95/56/263529556.db2.gz	VSJIYHYZNWCSMK-DEDYPNTBSA-N	0	0	350.403	4.587	40	30		FJEBRN
Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c(C)c1	ZINC000409211415	263541500	/nfs/dbraw/zinc/54/15/00/263541500.db2.gz	NDGPHPHFICPTPJ-JCMHNJIXSA-N	0	0	365.454	4.822	40	30		FJEBRN
O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1	ZINC000409276367	263547083	/nfs/dbraw/zinc/54/70/83/263547083.db2.gz	QFQKMHRDBSANHQ-UHFFFAOYSA-N	0	0	365.392	4.692	40	30		FJEBRN
O=c1c2ccccc2nc(C2CCCCC2)n1N=C/C=C/c1ccccc1	ZINC000409307949	263548214	/nfs/dbraw/zinc/54/82/14/263548214.db2.gz	VMJCETCLJORNHP-SFPPZFBDSA-N	0	0	357.457	4.992	40	30		FJEBRN
C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2cccc3ccccc32)c1	ZINC000216897778	518292943	/nfs/dbraw/zinc/29/29/43/518292943.db2.gz	IFFIMHORBYYOBY-WYMLVPIESA-N	0	0	372.420	4.617	40	30		FJEBRN
C#CCOC(=O)c1ccc(OCc2cccc3ccccc32)c(Cl)c1	ZINC000216852725	518295504	/nfs/dbraw/zinc/29/55/04/518295504.db2.gz	QUJYBGGRLXAUKV-UHFFFAOYSA-N	0	0	350.801	4.862	40	30		FJEBRN
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225047914	518814312	/nfs/dbraw/zinc/81/43/12/518814312.db2.gz	BPWGUTUBQJQJIY-UHFFFAOYSA-N	0	0	367.470	4.620	40	30		FJEBRN
C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000224921514	518819532	/nfs/dbraw/zinc/81/95/32/518819532.db2.gz	DZQAUNGYYIRNKN-UHFFFAOYSA-N	0	0	367.445	4.874	40	30		FJEBRN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225045231	518820591	/nfs/dbraw/zinc/82/05/91/518820591.db2.gz	PJDHWULHAZYRQF-UHFFFAOYSA-N	0	0	357.862	4.875	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2ccc3ccccc3c2)c1	ZINC000224638253	518935868	/nfs/dbraw/zinc/93/58/68/518935868.db2.gz	PWNOKVOKAGGNPT-UHFFFAOYSA-N	0	0	361.441	4.733	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCSCc2ccccc2)cc1	ZINC000225598834	519039906	/nfs/dbraw/zinc/03/99/06/519039906.db2.gz	FXCKQCBFEXSRGM-UHFFFAOYSA-N	0	0	372.559	4.861	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCSCc2cccc(C)c2)c1	ZINC000225338945	519057674	/nfs/dbraw/zinc/05/76/74/519057674.db2.gz	IGZLVBQXSLUMMY-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2C)NC1=O	ZINC000008410615	519065585	/nfs/dbraw/zinc/06/55/85/519065585.db2.gz	YFVVIIXJDGFMIB-UYRXBGFRSA-N	0	0	364.470	4.760	40	30		FJEBRN
C=CCOc1ccccc1CN(Cc1cccnc1)Cc1ccccc1F	ZINC000013569016	519068267	/nfs/dbraw/zinc/06/82/67/519068267.db2.gz	YQTVZZUEFYWUPC-UHFFFAOYSA-N	0	0	362.448	4.988	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000225186015	519077211	/nfs/dbraw/zinc/07/72/11/519077211.db2.gz	VCUXIPYGRSSVTG-UHFFFAOYSA-N	0	0	351.393	4.914	40	30		FJEBRN
C=CCSc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1	ZINC000225882502	519085851	/nfs/dbraw/zinc/08/58/51/519085851.db2.gz	ZRSXUTPWKQXGGE-NTCAYCPXSA-N	0	0	369.471	4.589	40	30		FJEBRN
CCC(N=Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)c1ccccc1	ZINC000006782392	520177364	/nfs/dbraw/zinc/17/73/64/520177364.db2.gz	OSOJRLXRTNSBIG-NKFKGCMQSA-N	0	0	364.474	4.995	40	30		FJEBRN
CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1Cl	ZINC000224118823	520621694	/nfs/dbraw/zinc/62/16/94/520621694.db2.gz	PTMYMMSPBFPVQW-MHWRWJLKSA-N	0	0	371.820	4.634	40	30		FJEBRN
CCCCOc1ccc(C(=O)O/N=C2\CCCc3ccc(OC)cc32)cc1	ZINC000005298424	520874190	/nfs/dbraw/zinc/87/41/90/520874190.db2.gz	UGPALBOZMSYWKC-XTQSDGFTSA-N	0	0	367.445	4.772	40	30		FJEBRN
COc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1OC	ZINC000013547049	523419051	/nfs/dbraw/zinc/41/90/51/523419051.db2.gz	QAPYPHIHYIVBTJ-GDNBJRDFSA-N	0	0	371.483	4.608	40	30		FJEBRN
COc1ccc(/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000104160196	523473042	/nfs/dbraw/zinc/47/30/42/523473042.db2.gz	PIPQUEPAGSEIKH-HAHDFKILSA-N	0	0	361.397	4.674	40	30		FJEBRN
Cc1cccc(NC(=O)/C=C\c2ccc(N(CCC#N)CCC#N)cc2C)c1	ZINC000017211057	524569137	/nfs/dbraw/zinc/56/91/37/524569137.db2.gz	BFYFHXVEXSOEFG-LUAWRHEFSA-N	0	0	372.472	4.589	40	30		FJEBRN
Cc1cc(NN=C2c3cc(C(C)C)ccc3NC2=O)ccc1Br	ZINC000223729876	525043822	/nfs/dbraw/zinc/04/38/22/525043822.db2.gz	XDTBQQLIKBGRTG-UHFFFAOYSA-N	0	0	372.266	4.649	40	30		FJEBRN
CSc1nsc(S/C=C\C(=O)c2ccc(Br)cc2)n1	ZINC000016248827	526234293	/nfs/dbraw/zinc/23/42/93/526234293.db2.gz	POIOCCWULSLTBZ-SREVYHEPSA-N	0	0	373.322	4.511	40	30		FJEBRN
Fc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccncc3)n2)cc1	ZINC000033906595	526313586	/nfs/dbraw/zinc/31/35/86/526313586.db2.gz	ACINAATZUNRFON-MYYYXRDXSA-N	0	0	369.403	4.791	40	30		FJEBRN
N#CCSc1nnc(COc2cccc3ccccc32)n1-c1ccccc1	ZINC000004093252	526479873	/nfs/dbraw/zinc/47/98/73/526479873.db2.gz	NXCRCCSZOFDYQR-UHFFFAOYSA-N	0	0	372.453	4.615	40	30		FJEBRN
ClC(/C=N\N1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1	ZINC000016771375	526922600	/nfs/dbraw/zinc/92/26/00/526922600.db2.gz	UCTUKMAOYUINRI-GWJJEOHVSA-N	0	0	374.315	4.723	40	30		FJEBRN
ClC(/C=N/N1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1	ZINC000019790558	526922616	/nfs/dbraw/zinc/92/26/16/526922616.db2.gz	UCTUKMAOYUINRI-ONRFTTIKSA-N	0	0	374.315	4.723	40	30		FJEBRN
O=C(/C(=N/N=C/c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1	ZINC000019891368	527590833	/nfs/dbraw/zinc/59/08/33/527590833.db2.gz	KBNYSQWJFBNBIO-DHUSVAKKSA-N	0	0	352.437	4.881	40	30		FJEBRN
O=C(/C(=N/N=C\c1ccc2c(c1)CCC2)c1ccccc1)c1ccccc1	ZINC000019891366	527591705	/nfs/dbraw/zinc/59/17/05/527591705.db2.gz	KBNYSQWJFBNBIO-QSEVEHSSSA-N	0	0	352.437	4.881	40	30		FJEBRN
COc1ccc(CN/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000216058626	568103094	/nfs/dbraw/zinc/10/30/94/568103094.db2.gz	TYLQQHYEMLHOCZ-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
Cc1cc(/C=N/n2cc(-c3ccccc3)nc2N)c(C)n1-c1ccc(C)cc1	ZINC000008164001	568277766	/nfs/dbraw/zinc/27/77/66/568277766.db2.gz	FYPZDTQBTSTNEE-AFUMVMLFSA-N	0	0	369.472	4.730	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2cc1C	ZINC000034791524	570437787	/nfs/dbraw/zinc/43/77/87/570437787.db2.gz	ZMIKQYVPVRADHI-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
CCCCCCCCCCSc1nc2c([nH]1)n(C)c(=S)n(C)c2=O	ZINC000095871087	570471353	/nfs/dbraw/zinc/47/13/53/570471353.db2.gz	QHQKXMOBJVNMNT-UHFFFAOYSA-N	0	0	368.572	4.562	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C\C=C(\N=C(C#N)C#N)c1ccccc1	ZINC000002041453	570511997	/nfs/dbraw/zinc/51/19/97/570511997.db2.gz	FMSWLENMEXUPAV-STHOXOPSSA-N	0	0	352.441	4.827	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O	ZINC000408536246	570517243	/nfs/dbraw/zinc/51/72/43/570517243.db2.gz	YWYIREUJPZSDGK-QGOAFFKASA-N	0	0	367.495	4.653	40	30		FJEBRN
Cc1cccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1	ZINC000004849148	570535868	/nfs/dbraw/zinc/53/58/68/570535868.db2.gz	FTAANAVQLOEEQM-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1C	ZINC000408560452	570554723	/nfs/dbraw/zinc/55/47/23/570554723.db2.gz	IEDLYVDHAZJHOC-UHFFFAOYSA-N	0	0	374.554	4.676	40	30		FJEBRN
Cc1cccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2)c1	ZINC000408589305	570566692	/nfs/dbraw/zinc/56/66/92/570566692.db2.gz	DQTJLBIWJHSUTI-MFKUBSTISA-N	0	0	356.425	4.996	40	30		FJEBRN
Cc1ccc(COc2ccccc2/C=N/OCc2ccccc2C#N)cc1	ZINC000408593533	570575091	/nfs/dbraw/zinc/57/50/91/570575091.db2.gz	ASRPSBRCTAFCKO-MFKUBSTISA-N	0	0	356.425	4.996	40	30		FJEBRN
CCOc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1C(C)C	ZINC000408594516	570575485	/nfs/dbraw/zinc/57/54/85/570575485.db2.gz	TWPQGVKLKHRKLD-CIAFOILYSA-N	0	0	356.422	4.976	40	30		FJEBRN
C#CCOc1ccc(Br)cc1/C=N/c1ccc(OCC)cc1	ZINC000006962323	570580157	/nfs/dbraw/zinc/58/01/57/570580157.db2.gz	DQZJXHHSKODROW-DEDYPNTBSA-N	0	0	358.235	4.610	40	30		FJEBRN
C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1OCC	ZINC000408609316	570582245	/nfs/dbraw/zinc/58/22/45/570582245.db2.gz	MXSCYRCOMRWTIR-UHFFFAOYSA-N	0	0	374.278	4.780	40	30		FJEBRN
COc1c(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F	ZINC000408622706	570588403	/nfs/dbraw/zinc/58/84/03/570588403.db2.gz	QYVKSWDNWAUWBZ-UHFFFAOYSA-N	0	0	367.220	4.523	40	30		FJEBRN
C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(SC)cc1	ZINC000224983918	570599654	/nfs/dbraw/zinc/59/96/54/570599654.db2.gz	NDVUTZQYSKMKBA-UHFFFAOYSA-N	0	0	367.923	4.752	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c(C#N)c1	ZINC000225851939	570605946	/nfs/dbraw/zinc/60/59/46/570605946.db2.gz	XESJXGURXZEPQV-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1	ZINC000225578683	570609402	/nfs/dbraw/zinc/60/94/02/570609402.db2.gz	YOGAWUCYSTZJQF-GOSISDBHSA-N	0	0	368.502	4.840	40	30		FJEBRN
CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1	ZINC000005376414	570625556	/nfs/dbraw/zinc/62/55/56/570625556.db2.gz	LKJSRROTUOHAII-RGEXLXHISA-N	0	0	366.486	4.929	40	30		FJEBRN
CCCC/N=C1\S/C(=C\c2ccc(OCC)cc2)C(=O)N1CCCC	ZINC000005552263	570630358	/nfs/dbraw/zinc/63/03/58/570630358.db2.gz	GMWPYJBOWVSANC-SMNQVOTKSA-N	0	0	360.523	4.958	40	30		FJEBRN
CC(C)(C)c1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1	ZINC000006386981	570646082	/nfs/dbraw/zinc/64/60/82/570646082.db2.gz	OWVWLBIRZHLSIV-NJNXFGOHSA-N	0	0	358.441	4.989	40	30		FJEBRN
C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC	ZINC000408691796	570649308	/nfs/dbraw/zinc/64/93/08/570649308.db2.gz	QILWYYPLNLKNFT-DHZHZOJOSA-N	0	0	354.833	4.955	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000408707865	570659257	/nfs/dbraw/zinc/65/92/57/570659257.db2.gz	RTGNYEHGHFOGON-UHFFFAOYSA-N	0	0	359.297	4.799	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F	ZINC000408708485	570660393	/nfs/dbraw/zinc/66/03/93/570660393.db2.gz	IOIYWSVUWNLVTD-UHFFFAOYSA-N	0	0	372.431	4.901	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1	ZINC000408709405	570661045	/nfs/dbraw/zinc/66/10/45/570661045.db2.gz	SFNVLDNUXPILHS-UHFFFAOYSA-N	0	0	362.514	4.671	40	30		FJEBRN
CC(C)(C)C#CSc1nsc(NC(=O)Nc2cccc(Cl)c2)n1	ZINC000004984728	570674629	/nfs/dbraw/zinc/67/46/29/570674629.db2.gz	JLOUJFRMFYITKL-UHFFFAOYSA-N	0	0	366.899	4.935	40	30		FJEBRN
COc1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1OC	ZINC000408723606	570677515	/nfs/dbraw/zinc/67/75/15/570677515.db2.gz	XUUKYSPCWWSKEM-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
CSc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000005445375	570678475	/nfs/dbraw/zinc/67/84/75/570678475.db2.gz	KGSFHCQQZLGLEY-DJKKODMXSA-N	0	0	355.341	4.782	40	30		FJEBRN
Clc1cc(Cl)c(NN=Cc2ccc3c(c2)OCCO3)c(Cl)c1	ZINC000005445971	570678913	/nfs/dbraw/zinc/67/89/13/570678913.db2.gz	XGDNQSHSWPMBHH-UFWORHAWSA-N	0	0	357.624	4.864	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C\c3c(O)ccc4ccccc43)S2)cc1	ZINC000408763355	570680581	/nfs/dbraw/zinc/68/05/81/570680581.db2.gz	NBFVEZHPYGPCRR-DEDYPNTBSA-N	0	0	374.465	4.999	40	30		FJEBRN
Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	ZINC000408780304	570686920	/nfs/dbraw/zinc/68/69/20/570686920.db2.gz	XBDMEVLQKWPLCH-XKZIYDEJSA-N	0	0	366.465	4.554	40	30		FJEBRN
Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c1	ZINC000408806532	570687729	/nfs/dbraw/zinc/68/77/29/570687729.db2.gz	BCXFSXJURPFKCQ-ODLFYWEKSA-N	0	0	361.470	4.687	40	30		FJEBRN
Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3F)cc2)cc1	ZINC000408811077	570688700	/nfs/dbraw/zinc/68/87/00/570688700.db2.gz	NKIMLXBJCWBEOO-OYKKKHCWSA-N	0	0	362.404	4.902	40	30		FJEBRN
C#CCOc1ccc(Br)cc1/C=N/c1sc(C)c(C)c1C#N	ZINC000408808730	570688772	/nfs/dbraw/zinc/68/87/72/570688772.db2.gz	FJEXKTCYRRYSDA-KEBDBYFISA-N	0	0	373.275	4.762	40	30		FJEBRN
CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC	ZINC000009195240	570692592	/nfs/dbraw/zinc/69/25/92/570692592.db2.gz	YWYRWZXIMHEMKO-KEBDBYFISA-N	0	0	353.249	4.524	40	30		FJEBRN
COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC	ZINC000009197136	570692602	/nfs/dbraw/zinc/69/26/02/570692602.db2.gz	FUOCIDCLMYSIRW-DNTJNYDQSA-N	0	0	373.667	4.788	40	30		FJEBRN
CC(C)Oc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1	ZINC000408861971	570693350	/nfs/dbraw/zinc/69/33/50/570693350.db2.gz	VXWITAPPJMSOMM-BOPFTXTBSA-N	0	0	356.422	4.505	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1	ZINC000408873757	570694118	/nfs/dbraw/zinc/69/41/18/570694118.db2.gz	WUAQKRCKSHKQIS-SXGWCWSVSA-N	0	0	358.850	4.549	40	30		FJEBRN
Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1I	ZINC000408903959	570696686	/nfs/dbraw/zinc/69/66/86/570696686.db2.gz	BRVDFHQRRDRQPK-ODLFYWEKSA-N	0	0	373.193	4.901	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N	ZINC000225761278	570697716	/nfs/dbraw/zinc/69/77/16/570697716.db2.gz	PSJRYCLKGYNEBV-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2ccc3c(c2)OCO3)o1	ZINC000408915567	570699271	/nfs/dbraw/zinc/69/92/71/570699271.db2.gz	XZNGCOWQXUFYAK-JMIUGGIZSA-N	0	0	350.330	4.643	40	30		FJEBRN
Cc1cc(/C=N\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1	ZINC000408931785	570699959	/nfs/dbraw/zinc/69/99/59/570699959.db2.gz	QGQXMPCHOAHPIF-UQQQWYQISA-N	0	0	373.500	4.990	40	30		FJEBRN
CC(C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000408932365	570701168	/nfs/dbraw/zinc/70/11/68/570701168.db2.gz	WFGHPSGCYWRHJG-HYARGMPZSA-N	0	0	358.869	4.714	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(F)(F)F)cc3)S2)cc1	ZINC000408961293	570703808	/nfs/dbraw/zinc/70/38/08/570703808.db2.gz	MIMBEYAZIWDPMO-XNTDXEJSSA-N	0	0	362.376	4.905	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(C=NNc3ccccc3)c2C)c1	ZINC000408968585	570705113	/nfs/dbraw/zinc/70/51/13/570705113.db2.gz	XPNKSRDOCBSMLB-HZHRSRAPSA-N	0	0	361.445	4.717	40	30		FJEBRN
C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC	ZINC000409031321	570714709	/nfs/dbraw/zinc/71/47/09/570714709.db2.gz	AAFGDODUYWNADT-AQHIEDMUSA-N	0	0	372.284	4.528	40	30		FJEBRN
Cc1c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc2n1C	ZINC000409032116	570714739	/nfs/dbraw/zinc/71/47/39/570714739.db2.gz	IIIIIGJSIYJPMQ-VAPIAZESSA-N	0	0	367.321	4.937	40	30		FJEBRN
COc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)cs2)cc1OC	ZINC000409053315	570716407	/nfs/dbraw/zinc/71/64/07/570716407.db2.gz	BVNJTGMZFXUYTM-HYARGMPZSA-N	0	0	367.474	4.972	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O	ZINC000409065460	570718375	/nfs/dbraw/zinc/71/83/75/570718375.db2.gz	LXXRUILKNZGSBR-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccccc2)c1	ZINC000409070331	570719442	/nfs/dbraw/zinc/71/94/42/570719442.db2.gz	FKQHNYCMYUZXSU-QNGOZBTKSA-N	0	0	355.393	4.610	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O	ZINC000409092932	570720710	/nfs/dbraw/zinc/72/07/10/570720710.db2.gz	XWXSBMVSQBBHLC-CPNJWEJPSA-N	0	0	365.454	4.796	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O	ZINC000409104962	570723961	/nfs/dbraw/zinc/72/39/61/570723961.db2.gz	LQJGGOQRKBHLPF-XYOKQWHBSA-N	0	0	358.246	4.614	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccccc2CC)cc1OC	ZINC000409111138	570725121	/nfs/dbraw/zinc/72/51/21/570725121.db2.gz	BUPLZJYWECIONP-UHFFFAOYSA-N	0	0	374.278	4.644	40	30		FJEBRN
Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Br)cc1C	ZINC000409107771	570726989	/nfs/dbraw/zinc/72/69/89/570726989.db2.gz	SYTVVUKJXQUXEP-BKUYFWCQSA-N	0	0	373.294	4.653	40	30		FJEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccn1-c1ccccc1	ZINC000409108050	570727067	/nfs/dbraw/zinc/72/70/67/570727067.db2.gz	URYRBVAJRIERHQ-WSDLNYQXSA-N	0	0	374.322	4.850	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC	ZINC000409114375	570728999	/nfs/dbraw/zinc/72/89/99/570728999.db2.gz	HHMZNVYUMPIWMX-UHFFFAOYSA-N	0	0	350.245	4.935	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccccc2C)cc1OCC	ZINC000409116246	570729457	/nfs/dbraw/zinc/72/94/57/570729457.db2.gz	OWOVTHNNPFWSAA-UHFFFAOYSA-N	0	0	374.278	4.780	40	30		FJEBRN
O=C(C=CNc1ccc(Br)cc1Br)c1ccco1	ZINC000409177766	570736080	/nfs/dbraw/zinc/73/60/80/570736080.db2.gz	IKQHIFLMKSVSHW-AATRIKPKSA-N	0	0	371.028	4.613	40	30		FJEBRN
COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C)c([N+](=O)[O-])c1	ZINC000409240719	570743487	/nfs/dbraw/zinc/74/34/87/570743487.db2.gz	QZRNUMNBNCLLAA-STZFKDTASA-N	0	0	353.422	4.653	40	30		FJEBRN
Cc1ccoc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1	ZINC000409277705	570747648	/nfs/dbraw/zinc/74/76/48/570747648.db2.gz	BSENDHTXEJKCEL-UHFFFAOYSA-N	0	0	369.380	4.593	40	30		FJEBRN
C/C(C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)=C\c1ccco1	ZINC000409283750	570748447	/nfs/dbraw/zinc/74/84/47/570748447.db2.gz	SWTXPMQEBVQMIH-GHFXUULHSA-N	0	0	361.445	4.975	40	30		FJEBRN
O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccs1	ZINC000409294517	570748637	/nfs/dbraw/zinc/74/86/37/570748637.db2.gz	MNDPPJSVYADGMW-UHFFFAOYSA-N	0	0	371.421	4.753	40	30		FJEBRN
O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NC1CCCCC1	ZINC000100397903	570760327	/nfs/dbraw/zinc/76/03/27/570760327.db2.gz	TXIJLCBKVIKJOS-UCQKPKSFSA-N	0	0	370.880	4.918	40	30		FJEBRN
O=c1oc2ccccc2cc1-c1csc(N=NC[C@H]2CC=CCC2)n1	ZINC000013773930	570790548	/nfs/dbraw/zinc/79/05/48/570790548.db2.gz	UGHGKIWJIWQYMO-GHOUAXAESA-N	0	0	351.431	4.671	40	30		FJEBRN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1	ZINC000010118793	570813566	/nfs/dbraw/zinc/81/35/66/570813566.db2.gz	GAMOGAUIMUXOIX-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1	ZINC000014783800	570858121	/nfs/dbraw/zinc/85/81/21/570858121.db2.gz	LRMOPPJPFDPVMX-MRXNPFEDSA-N	0	0	353.462	4.955	40	30		FJEBRN
C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C	ZINC000208844689	570861694	/nfs/dbraw/zinc/86/16/94/570861694.db2.gz	OPDFKDMMTWNGNG-QGOAFFKASA-N	0	0	352.821	4.711	40	30		FJEBRN
CC/C(=N/CC/N=C(/CC)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000017140819	570869128	/nfs/dbraw/zinc/86/91/28/570869128.db2.gz	IEEGTJOOPSZWJO-SRPFLQSCSA-N	0	0	352.478	4.813	40	30		FJEBRN
COc1ccc2c(C)cc(NN=C(c3ccccc3)c3ccccn3)nc2c1	ZINC000017127497	570869156	/nfs/dbraw/zinc/86/91/56/570869156.db2.gz	CISFVSGQDKSSRY-SLEBQGDGSA-N	0	0	368.440	4.811	40	30		FJEBRN
C=C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927800	570871415	/nfs/dbraw/zinc/87/14/15/570871415.db2.gz	WHUVCKHSKYGQND-ZEPKUMPTSA-N	0	0	358.522	4.798	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C(=O)N1CC	ZINC000059105183	571087596	/nfs/dbraw/zinc/08/75/96/571087596.db2.gz	CKFQWFGCVGANAI-WHMPXDRYSA-N	0	0	373.305	4.704	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O	ZINC000059503054	571091418	/nfs/dbraw/zinc/09/14/18/571091418.db2.gz	IMUIIXKLKYVUPD-CYVLTUHYSA-N	0	0	361.441	4.893	40	30		FJEBRN
Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1	ZINC000059678797	571092187	/nfs/dbraw/zinc/09/21/87/571092187.db2.gz	UPSVGVKOJFLFGK-RGEXLXHISA-N	0	0	359.454	4.677	40	30		FJEBRN
C=CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000219642653	571174940	/nfs/dbraw/zinc/17/49/40/571174940.db2.gz	PWYBGJJIERRHHM-IBGZPJMESA-N	0	0	351.446	4.592	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1C	ZINC000219813285	571175200	/nfs/dbraw/zinc/17/52/00/571175200.db2.gz	QSZDTWWETPVWAE-UHFFFAOYSA-N	0	0	355.459	4.702	40	30		FJEBRN
N#Cc1ccccc1COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1	ZINC000006338263	571181672	/nfs/dbraw/zinc/18/16/72/571181672.db2.gz	PMOWJIQVXMKNAM-QFIPXVFZSA-N	0	0	371.465	4.834	40	30		FJEBRN
Cc1nc2sc3c(c2c(N=NC(C)c2ccc(C#N)cc2)n1)CCCC3	ZINC000036271611	571192551	/nfs/dbraw/zinc/19/25/51/571192551.db2.gz	GZASULMIAILZTR-WYMPLXKRSA-N	0	0	361.474	4.586	40	30		FJEBRN
CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2cccnc2)S1	ZINC000026896837	571202800	/nfs/dbraw/zinc/20/28/00/571202800.db2.gz	QVPDIVHANCZOPE-MRXNPFEDSA-N	0	0	355.484	4.676	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1	ZINC000044837299	571210410	/nfs/dbraw/zinc/21/04/10/571210410.db2.gz	IEHSUJDRWDDZKI-UHFFFAOYSA-N	0	0	350.245	4.878	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1	ZINC000253616979	571291937	/nfs/dbraw/zinc/29/19/37/571291937.db2.gz	LEXIXSRMSXNWOC-QYLHAHPWSA-N	0	0	354.866	4.656	40	30		FJEBRN
C#CCOc1ccc(CNc2ccc(Cl)cc2)cc1Br	ZINC000006295407	571295639	/nfs/dbraw/zinc/29/56/39/571295639.db2.gz	KUJPCQBOZLXVBN-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
Cc1nnc(Sc2ccc(C=Nc3cccc(Cl)c3)cc2[N+](=O)[O-])[nH]1	ZINC000006588364	571296836	/nfs/dbraw/zinc/29/68/36/571296836.db2.gz	JYLIJYIYMIYCMG-GIJQJNRQSA-N	0	0	373.825	4.577	40	30		FJEBRN
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21	ZINC000006960262	571297777	/nfs/dbraw/zinc/29/77/77/571297777.db2.gz	CJTYKLYMZPGBOD-CNNODRBYSA-N	0	0	374.440	4.511	40	30		FJEBRN
CCc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	ZINC000008085136	571300261	/nfs/dbraw/zinc/30/02/61/571300261.db2.gz	NFGOOVNCWRKORF-CJLVFECKSA-N	0	0	365.454	4.767	40	30		FJEBRN
C=CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC	ZINC000008111021	571300362	/nfs/dbraw/zinc/30/03/62/571300362.db2.gz	VQMZGSWGKYPRJF-UHFFFAOYSA-N	0	0	366.230	4.774	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1OC	ZINC000008367814	571301037	/nfs/dbraw/zinc/30/10/37/571301037.db2.gz	SNAWFBXNQWORMS-CIAFOILYSA-N	0	0	372.262	4.837	40	30		FJEBRN
CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCC	ZINC000008811933	571302115	/nfs/dbraw/zinc/30/21/15/571302115.db2.gz	FMBNYTONELJHNR-SRZZPIQSSA-N	0	0	367.276	4.915	40	30		FJEBRN
COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1	ZINC000008811459	571302134	/nfs/dbraw/zinc/30/21/34/571302134.db2.gz	KGUOJSBJAQMMTO-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OC(C)C	ZINC000008811862	571302145	/nfs/dbraw/zinc/30/21/45/571302145.db2.gz	UIJNGJSPYGSHOF-UFFVCSGVSA-N	0	0	367.276	4.913	40	30		FJEBRN
COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1	ZINC000015553157	571303683	/nfs/dbraw/zinc/30/36/83/571303683.db2.gz	XVNHTZZDGHORSX-MFKUBSTISA-N	0	0	372.424	4.697	40	30		FJEBRN
COc1cc(C#N)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000033730605	571305923	/nfs/dbraw/zinc/30/59/23/571305923.db2.gz	KGMLFFOIGJYRGJ-UHFFFAOYSA-N	0	0	372.686	4.940	40	30		FJEBRN
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC#N)cc1)N2	ZINC000036082238	571306120	/nfs/dbraw/zinc/30/61/20/571306120.db2.gz	XTWTXUDSMHWXGB-DXIQSLLYSA-N	0	0	374.440	4.592	40	30		FJEBRN
Cc1[nH]c2ccccc2c1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000006469952	571310287	/nfs/dbraw/zinc/31/02/87/571310287.db2.gz	RQEVOXAFYCOVCM-ZVBGSRNCSA-N	0	0	362.311	4.849	40	30		FJEBRN
C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1	ZINC000007939532	571310410	/nfs/dbraw/zinc/31/04/10/571310410.db2.gz	XPAYRHMMDDPHRH-UXBLZVDNSA-N	0	0	373.246	4.919	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1	ZINC000008362975	571310465	/nfs/dbraw/zinc/31/04/65/571310465.db2.gz	SOEKTYROQQFOAD-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1	ZINC000214251772	571311325	/nfs/dbraw/zinc/31/13/25/571311325.db2.gz	NKFYXPLOUPXUQT-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1ccccc1	ZINC000408621344	571319401	/nfs/dbraw/zinc/31/94/01/571319401.db2.gz	LTKJJZPEXAIVIL-UHFFFAOYSA-N	0	0	373.387	4.510	40	30		FJEBRN
Cc1sc(NC(=S)NC(=O)c2cccc3ccccc32)c(C#N)c1C	ZINC000408627590	571319430	/nfs/dbraw/zinc/31/94/30/571319430.db2.gz	MBNASENMQMMMSD-UHFFFAOYSA-N	0	0	365.483	4.517	40	30		FJEBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000408628864	571319443	/nfs/dbraw/zinc/31/94/43/571319443.db2.gz	FEXYEQRTGXJAKC-UHFFFAOYSA-N	0	0	367.257	4.676	40	30		FJEBRN
CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1	ZINC000225682050	571337825	/nfs/dbraw/zinc/33/78/25/571337825.db2.gz	IEVQKFWSSJMOPA-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N	ZINC000225841302	571338625	/nfs/dbraw/zinc/33/86/25/571338625.db2.gz	VYVXEBPLDOMGJO-IERDGZPVSA-N	0	0	360.498	4.905	40	30		FJEBRN
Cc1cccc(OCCn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)c1	ZINC000225861977	571338845	/nfs/dbraw/zinc/33/88/45/571338845.db2.gz	WHAZHRVIYMKYCH-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
Cc1nc(C)c(C(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)s1	ZINC000028540166	571339474	/nfs/dbraw/zinc/33/94/74/571339474.db2.gz	NTNPSLJDUAICEH-UHFFFAOYSA-N	0	0	361.517	4.554	40	30		FJEBRN
O=C(Nc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)OC(F)(F)F	ZINC000003151303	571345114	/nfs/dbraw/zinc/34/51/14/571345114.db2.gz	PGYLEDBIXALFCU-UHFFFAOYSA-N	0	0	374.039	4.696	40	30		FJEBRN
CC[C@@H](Sc1nc(C)c(C)c(C)c1C#N)C(=O)N[C@H](C)c1ccccc1	ZINC000261526720	210007097	/nfs/dbraw/zinc/00/70/97/210007097.db2.gz	HUEDJBPKAQDZFA-VQIMIIECSA-N	0	0	367.518	4.627	40	30		FJEBRN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1	ZINC000000847151	219329497	/nfs/dbraw/zinc/32/94/97/219329497.db2.gz	WTNDHOAUXGOPSI-UHFFFAOYSA-N	0	0	366.273	4.608	40	30		FJEBRN
Cc1ccc(NC(=O)[C@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1	ZINC000000883029	219336510	/nfs/dbraw/zinc/33/65/10/219336510.db2.gz	HSRXIGJKOZMDIV-KRWDZBQOSA-N	0	0	363.848	4.826	40	30		FJEBRN
CCc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N	ZINC000000898883	219337664	/nfs/dbraw/zinc/33/76/64/219337664.db2.gz	KXSRDCISOGHYMD-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)c(C#N)cc12	ZINC000000933893	219342418	/nfs/dbraw/zinc/34/24/18/219342418.db2.gz	QMVKRTIINCIVPF-RDTXWAMCSA-N	0	0	367.518	4.510	40	30		FJEBRN
CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1	ZINC000001236099	219392129	/nfs/dbraw/zinc/39/21/29/219392129.db2.gz	FLCZLHLEGSOSMG-LFVJCYFKSA-N	0	0	369.424	4.929	40	30		FJEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc2c1	ZINC000001354479	219397504	/nfs/dbraw/zinc/39/75/04/219397504.db2.gz	QNBDNLNQHXDPHX-UHFFFAOYSA-N	0	0	350.418	4.837	40	30		FJEBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	ZINC000004832284	219611575	/nfs/dbraw/zinc/61/15/75/219611575.db2.gz	LDYIKFFCAJXZNA-PKNBQFBNSA-N	0	0	364.313	4.659	40	30		FJEBRN
Cc1ccc(C)c(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1	ZINC000004849045	219613326	/nfs/dbraw/zinc/61/33/26/219613326.db2.gz	BVQNLFMVXCJMKK-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
COc1ccc(C=CC(C)=NNC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000005502906	219684792	/nfs/dbraw/zinc/68/47/92/219684792.db2.gz	KQMTYAWBTIHDOH-NYQVKWDSSA-N	0	0	359.882	4.945	40	30		FJEBRN
Oc1ccc(/C=N\N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1	ZINC000005572314	219689489	/nfs/dbraw/zinc/68/94/89/219689489.db2.gz	OGRUWCIOSIZQSV-MKLAWZKCSA-N	0	0	371.465	4.846	40	30		FJEBRN
Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc12	ZINC000001223900	209385334	/nfs/dbraw/zinc/38/53/34/209385334.db2.gz	LYQJQTXASWJDJZ-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)ccc1O	ZINC000001441352	209390765	/nfs/dbraw/zinc/39/07/65/209390765.db2.gz	SYECSNXUWPMESD-NRFANRHFSA-N	0	0	372.424	4.514	40	30		FJEBRN
CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2	ZINC000000865524	209378809	/nfs/dbraw/zinc/37/88/09/209378809.db2.gz	LJCAQPIUWDBXLQ-ZICWZVMQSA-N	0	0	372.446	4.708	40	30		FJEBRN
CCN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC	ZINC000118917958	209348669	/nfs/dbraw/zinc/34/86/69/209348669.db2.gz	QIWHTHRIASTAHD-MDHGTXKOSA-N	0	0	371.565	4.715	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C/C=C(\N=C(C#N)C#N)c1ccccc1	ZINC000104202711	209260312	/nfs/dbraw/zinc/26/03/12/209260312.db2.gz	FMSWLENMEXUPAV-JPOLKSPQSA-N	0	0	352.441	4.827	40	30		FJEBRN
C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1	ZINC000100252997	209212312	/nfs/dbraw/zinc/21/23/12/209212312.db2.gz	XNNWZCSDDIEDNV-KQAARNMGSA-N	0	0	363.486	4.543	40	30		FJEBRN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC=Cc1ccco1	ZINC000012465109	219998916	/nfs/dbraw/zinc/99/89/16/219998916.db2.gz	ZARAEZZHTKGELK-PQBFDXQXSA-N	0	0	365.245	4.681	40	30		FJEBRN
O=C1N/C(=N\N=C\C=C\c2ccccc2)S/C1=C\C=C\c1ccccc1	ZINC000016754387	220193164	/nfs/dbraw/zinc/19/31/64/220193164.db2.gz	HXUNLSARTCTCJE-ODNOWZKSSA-N	0	0	359.454	4.502	40	30		FJEBRN
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000066088915	206703990	/nfs/dbraw/zinc/70/39/90/206703990.db2.gz	FZFLSHLTHQEGKP-IBGZPJMESA-N	0	0	367.489	4.632	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(Br)cc2F)c1	ZINC000008570673	206731648	/nfs/dbraw/zinc/73/16/48/206731648.db2.gz	ACDZDDQMZOJXAN-UHFFFAOYSA-N	0	0	364.214	4.795	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCSCc1cccc(C)c1	ZINC000219802068	206761127	/nfs/dbraw/zinc/76/11/27/206761127.db2.gz	AQQVDJSLICFPIT-UHFFFAOYSA-N	0	0	357.544	4.936	40	30		FJEBRN
CN(C)c1ccc(C(C#N)(c2ccccc2)c2ccc(N(C)C)cc2)cc1	ZINC000004365518	207016760	/nfs/dbraw/zinc/01/67/60/207016760.db2.gz	ORZXJYFZPFFYJC-UHFFFAOYSA-N	0	0	355.485	4.677	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	ZINC000004946175	207065265	/nfs/dbraw/zinc/06/52/65/207065265.db2.gz	LFBAQAZMHWRBDK-IBGZPJMESA-N	0	0	361.357	4.672	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	ZINC000004946170	207065302	/nfs/dbraw/zinc/06/53/02/207065302.db2.gz	DFVAZIHCZQJIBG-IBGZPJMESA-N	0	0	361.357	4.672	40	30		FJEBRN
CC/N=C1\S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC	ZINC000005552136	207104873	/nfs/dbraw/zinc/10/48/73/207104873.db2.gz	INDORDWZXMQIAX-PDFVYNHPSA-N	0	0	360.866	4.912	40	30		FJEBRN
COc1ccc(-c2c(C#N)cnc3cc(-c4ccc(Cl)cc4)nn32)cc1	ZINC000005675962	207112711	/nfs/dbraw/zinc/11/27/11/207112711.db2.gz	ZTUFTRDRHPBHAA-UHFFFAOYSA-N	0	0	360.804	4.597	40	30		FJEBRN
CCOC(=O)C(C)(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1	ZINC000005828449	207118772	/nfs/dbraw/zinc/11/87/72/207118772.db2.gz	SQBRVDDXUNNYPO-VGOFMYFVSA-N	0	0	372.848	4.957	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1	ZINC000006032828	207125961	/nfs/dbraw/zinc/12/59/61/207125961.db2.gz	LEXIXSRMSXNWOC-NPPPXDBXSA-N	0	0	354.866	4.656	40	30		FJEBRN
COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)c(OC)c1	ZINC000009196301	207261486	/nfs/dbraw/zinc/26/14/86/207261486.db2.gz	OANXHNUXNWLMAD-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CO	ZINC000032840818	208049696	/nfs/dbraw/zinc/04/96/96/208049696.db2.gz	UPWGQKDVAURUGE-MDZDMXLPSA-N	0	0	356.547	4.920	40	30	in-vitro	FJEBRN
CSc1ccc(/C=C2\CNC/C(=C\c3ccc(SC)cc3)C2=O)cc1	ZINC000031817448	208018298	/nfs/dbraw/zinc/01/82/98/208018298.db2.gz	YFMYNOUCTKNNOG-JYFOCSDGSA-N	0	0	367.539	4.770	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)ccc1OC	ZINC000020491678	220329246	/nfs/dbraw/zinc/32/92/46/220329246.db2.gz	GFVNOVOYARRWFN-OAQYLSRUSA-N	0	0	367.489	4.950	40	30		FJEBRN
N#Cc1c(N)n(-c2ccc(Cl)cc2)nc1-c1cccc(C(F)(F)F)c1	ZINC000039955217	220867807	/nfs/dbraw/zinc/86/78/07/220867807.db2.gz	SDSCIHUOEAJYAN-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
CC1=Nc2ccccc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000104200838	132238100	/nfs/dbraw/zinc/23/81/00/132238100.db2.gz	CXXIYKBZSLAGHP-WQRHYEAKSA-N	0	0	362.816	4.685	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)SC1=S	ZINC000208220323	132374241	/nfs/dbraw/zinc/37/42/41/132374241.db2.gz	GRYCWFPGCWGEOK-MFVBVHDHSA-N	0	0	372.559	4.796	40	30		FJEBRN
FC(F)(F)C(Br)(CC(F)(F)Br)C(F)(F)F	ZINC000100034139	222232900	/nfs/dbraw/zinc/23/29/00/222232900.db2.gz	HWOPXXXEAPFMBD-UHFFFAOYSA-N	0	0	373.863	4.623	40	30		FJEBRN
CCOc1cccc(/C=N/c2ccccc2OC(F)(F)C(F)F)c1O	ZINC000100222678	222239670	/nfs/dbraw/zinc/23/96/70/222239670.db2.gz	CJBAODVYTJIDRZ-LSHDLFTRSA-N	0	0	357.303	4.778	40	30		FJEBRN
O/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc21	ZINC000100250066	222239805	/nfs/dbraw/zinc/23/98/05/222239805.db2.gz	OKRZNTTYGCYMLV-JAIQZWGSSA-N	0	0	356.219	4.989	40	30		FJEBRN
Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccccc1[N+](=O)[O-]	ZINC000100505561	222245302	/nfs/dbraw/zinc/24/53/02/222245302.db2.gz	FJJGLMWOIFNPSV-ODLFYWEKSA-N	0	0	352.419	4.837	40	30		FJEBRN
Cc1c(C(=O)Oc2cccc3cccnc32)oc2c1/C(=N\O)CC(C)(C)C2	ZINC000100931493	222257845	/nfs/dbraw/zinc/25/78/45/222257845.db2.gz	GNGGHWLSZZUPMU-UCQKPKSFSA-N	0	0	364.401	4.506	40	30		FJEBRN
Cc1cccc(C2=NOC(=O)/C2=C\C(Br)=C\c2ccccc2)c1	ZINC000101662729	222280993	/nfs/dbraw/zinc/28/09/93/222280993.db2.gz	ICYJIWXEWFZVPC-LSQIQBGYSA-N	0	0	368.230	4.618	40	30		FJEBRN
COc1ccccc1CN/N=C/c1ccc(OCc2ccc(F)cc2)cc1	ZINC000020762849	263382699	/nfs/dbraw/zinc/38/26/99/263382699.db2.gz	WPEZCOBVFLJEPT-ZVHZXABRSA-N	0	0	364.420	4.537	40	30		FJEBRN
O=C(/C=C/c1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1	ZINC000031870826	263392509	/nfs/dbraw/zinc/39/25/09/263392509.db2.gz	BHUYEFNOZGAZPA-OPCYYNASSA-N	0	0	370.404	4.890	40	30		FJEBRN
Cc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1F	ZINC000059302436	263418951	/nfs/dbraw/zinc/41/89/51/263418951.db2.gz	PVFIANFTJRKBMV-VXLYETTFSA-N	0	0	351.219	4.840	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NC[C@@H](C)c1ccccc1	ZINC000408708403	263488421	/nfs/dbraw/zinc/48/84/21/263488421.db2.gz	ZEEHWLVVYOAHRN-HXUWFJFHSA-N	0	0	374.569	4.943	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1	ZINC000408739549	263493920	/nfs/dbraw/zinc/49/39/20/263493920.db2.gz	XPDNTYVHPOCFGF-SXGWCWSVSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc12	ZINC000408930911	263507955	/nfs/dbraw/zinc/50/79/55/263507955.db2.gz	DRPYGPAQMVJVDY-JJIBRWJFSA-N	0	0	360.457	4.826	40	30		FJEBRN
COC(=O)c1cc(/N=C/c2ccc(N3CCCC3)cc2C)ccc1Cl	ZINC000408959554	263510111	/nfs/dbraw/zinc/51/01/11/263510111.db2.gz	AWWAJCXMVMUNJS-LPYMAVHISA-N	0	0	356.853	4.786	40	30		FJEBRN
Cc1ccc(C(C)N=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000409051961	263520175	/nfs/dbraw/zinc/52/01/75/263520175.db2.gz	OWGHJXYJCWBIEO-DEDYPNTBSA-N	0	0	352.419	4.863	40	30		FJEBRN
O=S(=O)(Oc1ccccc1/C=N/c1ccccc1)c1ccc(Cl)cc1	ZINC000409216946	263542517	/nfs/dbraw/zinc/54/25/17/263542517.db2.gz	MOEVCJKPUIWHOP-KGENOOAVSA-N	0	0	371.845	4.858	40	30		FJEBRN
CCOC(=O)c1cccc(/N=C\c2ccc(N3CCCCC3)cc2OC)c1	ZINC000409233886	263544531	/nfs/dbraw/zinc/54/45/31/263544531.db2.gz	IHGWPMKNBRGMQN-KQWNVCNZSA-N	0	0	366.461	4.613	40	30		FJEBRN
CCCCc1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	ZINC000409237560	263545626	/nfs/dbraw/zinc/54/56/26/263545626.db2.gz	VJUQOYWSZBORNF-HAVVHWLPSA-N	0	0	352.478	4.625	40	30		FJEBRN
Cc1ccc(COc2ccccc2/C=N\OCC(=O)Nc2ccccc2)cc1	ZINC000409379575	263553585	/nfs/dbraw/zinc/55/35/85/263553585.db2.gz	XXIPUNRZFLYFKW-IWIPYMOSSA-N	0	0	374.440	4.563	40	30		FJEBRN
C#CCOc1ccccc1CN(Cc1ccc(CC)cc1)Cc1cccnc1	ZINC000013569146	518333738	/nfs/dbraw/zinc/33/37/38/518333738.db2.gz	NSMYPNATSVMTHK-UHFFFAOYSA-N	0	0	370.496	4.858	40	30		FJEBRN
C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224709808	518809171	/nfs/dbraw/zinc/80/91/71/518809171.db2.gz	VAOXQGLRLCIYGZ-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224937625	518815135	/nfs/dbraw/zinc/81/51/35/518815135.db2.gz	UTEDKBNLDMSNNA-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1	ZINC000224694676	518815639	/nfs/dbraw/zinc/81/56/39/518815639.db2.gz	WRDLBURMRNRNML-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225045505	518815920	/nfs/dbraw/zinc/81/59/20/518815920.db2.gz	OVMTZMCKCRKHGK-UHFFFAOYSA-N	0	0	357.862	4.875	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000216818103	518979441	/nfs/dbraw/zinc/97/94/41/518979441.db2.gz	JCGDLKGXXKTENB-UHFFFAOYSA-N	0	0	365.198	4.510	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1	ZINC000224899935	519038217	/nfs/dbraw/zinc/03/82/17/519038217.db2.gz	DVCHIHQDGSDPGS-MRXNPFEDSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCCSC2CCCCC2)cc1	ZINC000225591698	519039616	/nfs/dbraw/zinc/03/96/16/519039616.db2.gz	AQHGOQXEEVCALS-UHFFFAOYSA-N	0	0	364.580	4.994	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1	ZINC000225791456	519041344	/nfs/dbraw/zinc/04/13/44/519041344.db2.gz	PNHBNKYHPQDVSL-KRWDZBQOSA-N	0	0	370.518	4.622	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCOc1ccc2ccccc2c1	ZINC000223628942	519078353	/nfs/dbraw/zinc/07/83/53/519078353.db2.gz	FZQARZZFWGFCFT-UHFFFAOYSA-N	0	0	363.482	4.927	40	30		FJEBRN
CC(=O)Nc1ccc(/C(C)=N/OCc2cccc(C(F)(F)F)c2)cc1	ZINC000014397181	519708526	/nfs/dbraw/zinc/70/85/26/519708526.db2.gz	RDEPPEDPZRWSJS-FSJBWODESA-N	0	0	350.340	4.605	40	30		FJEBRN
CC(C)c1ccc(C=Nn2cnnc2N=NCc2ccc(C(C)C)cc2)cc1	ZINC000016575766	519834296	/nfs/dbraw/zinc/83/42/96/519834296.db2.gz	YPBXTTVFSTWWBA-SUQYBGNLSA-N	0	0	374.492	4.853	40	30		FJEBRN
CCCCCCCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000100984515	520070657	/nfs/dbraw/zinc/07/06/57/520070657.db2.gz	XHHYDFXVKIDNTA-UHFFFAOYSA-N	0	0	353.462	4.858	40	30		FJEBRN
CCOc1cc(Cl)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O	ZINC000005871981	520733982	/nfs/dbraw/zinc/73/39/82/520733982.db2.gz	SWPMQLGJYMAWPW-SRZZPIQSSA-N	0	0	360.841	4.789	40	30		FJEBRN
COc1cc(C=NN=c2[nH]c3ccccc3o2)ccc1OCc1ccccc1	ZINC000005544007	521995384	/nfs/dbraw/zinc/99/53/84/521995384.db2.gz	KBLYEANSGQKGOJ-OEAKJJBVSA-N	0	0	373.412	4.861	40	30		FJEBRN
COC(=O)c1ccc(Cl)c(-c2ccc(C=NNc3ccccc3)o2)c1	ZINC000005879510	522053103	/nfs/dbraw/zinc/05/31/03/522053103.db2.gz	UNXAOJNGUCPUKU-CIAFOILYSA-N	0	0	354.793	4.833	40	30		FJEBRN
COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1OC	ZINC000007741906	523399571	/nfs/dbraw/zinc/39/95/71/523399571.db2.gz	FJUVAVJTFIMAFE-VMPITWQZSA-N	0	0	367.228	4.915	40	30		FJEBRN
COc1ccc(CN/N=C/c2c(C)n(C(C)C)c3ccccc23)cc1OC	ZINC000020196660	524017323	/nfs/dbraw/zinc/01/73/23/524017323.db2.gz	AIMZIFLIGGHALW-ZVHZXABRSA-N	0	0	365.477	4.672	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O	ZINC000208443955	534845752	/nfs/dbraw/zinc/84/57/52/534845752.db2.gz	XHIMZDIFTPKBGO-BOPFTXTBSA-N	0	0	354.475	4.541	40	30		FJEBRN
O=C(Oc1cccc(C=NNc2nc3ccccc3s2)c1)c1ccccc1	ZINC000033395753	526445181	/nfs/dbraw/zinc/44/51/81/526445181.db2.gz	VTDMHBLVQXZPDB-HMAPJEAMSA-N	0	0	373.437	4.962	40	30		FJEBRN
N#CCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-]	ZINC000085221697	526481337	/nfs/dbraw/zinc/48/13/37/526481337.db2.gz	DPVIYAXAQYTSRV-UHFFFAOYSA-N	0	0	374.396	4.819	40	30		FJEBRN
C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4OC)OCC[C@]3(C2)[C@@H]1C	ZINC000257276874	526909675	/nfs/dbraw/zinc/90/96/75/526909675.db2.gz	NVMHXKLWOHDCBF-GTRAWVPRSA-N	0	0	353.506	4.975	40	30		FJEBRN
O=C(COc1ccc(Cl)cc1)O/N=C1\CCCSc2ccccc21	ZINC000005685288	526954862	/nfs/dbraw/zinc/95/48/62/526954862.db2.gz	CBEVILWBSBJRDV-CAPFRKAQSA-N	0	0	361.850	4.552	40	30		FJEBRN
O=C(Nc1ccc(F)cc1)O/N=C(\c1ccccc1)[C@@H](O)c1ccccc1	ZINC000006603213	527202521	/nfs/dbraw/zinc/20/25/21/527202521.db2.gz	HKTBBAHNZLGJQH-UNJZAIIMSA-N	0	0	364.376	4.512	40	30		FJEBRN
CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C(=O)N1CC	ZINC000223471041	535266746	/nfs/dbraw/zinc/26/67/46/535266746.db2.gz	SPJDMSBNFILRFB-JLZFKDTQSA-N	0	0	369.534	4.630	40	30		FJEBRN
CC(=CC1[C@H]2CC[C@H](C2)C1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000031829609	568341738	/nfs/dbraw/zinc/34/17/38/568341738.db2.gz	ZZQQYNWQXYKHDG-IMUYQDRUSA-N	0	0	358.398	4.673	40	30		FJEBRN
CCOC(=O)c1c(C)[nH]c(C(C)=NNc2cc(C)c3ccccc3n2)c1C	ZINC000024036291	568441790	/nfs/dbraw/zinc/44/17/90/568441790.db2.gz	JWPKMDQJEIVHHT-BUVRLJJBSA-N	0	0	364.449	4.501	40	30		FJEBRN
COc1ccc([C@H]2CCCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001715761	570505503	/nfs/dbraw/zinc/50/55/03/570505503.db2.gz	MCABBJPUFYFWOF-RTWAWAEBSA-N	0	0	374.502	4.825	40	30		FJEBRN
C=CCOc1c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cccc1OC	ZINC000408528485	570508700	/nfs/dbraw/zinc/50/87/00/570508700.db2.gz	GIQOBJQPDYWOJG-GHRIWEEISA-N	0	0	367.426	4.501	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1	ZINC000408530243	570510636	/nfs/dbraw/zinc/51/06/36/570510636.db2.gz	JGOBNZBGSGJRGH-PDGQHHTCSA-N	0	0	352.459	4.674	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O	ZINC000408531141	570512206	/nfs/dbraw/zinc/51/22/06/570512206.db2.gz	MGYMYLKQAYOPHA-QGOAFFKASA-N	0	0	367.495	4.966	40	30		FJEBRN
O=c1oc2ccccc2cc1-c1csc(N=NC[C@@H]2CC=CCC2)n1	ZINC000254828683	570524672	/nfs/dbraw/zinc/52/46/72/570524672.db2.gz	UGHGKIWJIWQYMO-CYBMUJFWSA-N	0	0	351.431	4.671	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)c(C#N)cc2c1	ZINC000004848877	570533876	/nfs/dbraw/zinc/53/38/76/570533876.db2.gz	STNHXGDUBYCQOM-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1	ZINC000004849147	570535697	/nfs/dbraw/zinc/53/56/97/570535697.db2.gz	VCSNKQOFFQTPQU-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CCOc1cc(C=C2CCC(C(=O)C(F)(F)F)=C2O)cc(Cl)c1O	ZINC000408563860	570557539	/nfs/dbraw/zinc/55/75/39/570557539.db2.gz	QZTUQIIUXSSVNP-LFKWHJGZSA-N	0	0	362.731	4.565	40	30		FJEBRN
C=CCOc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1	ZINC000408573948	570560901	/nfs/dbraw/zinc/56/09/01/570560901.db2.gz	GBZOQXJNEXHKCJ-UHFFFAOYSA-N	0	0	365.857	4.916	40	30		FJEBRN
C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1	ZINC000035339558	570575157	/nfs/dbraw/zinc/57/51/57/570575157.db2.gz	ZFFUBAZURKWAFB-QZAMUAOBSA-N	0	0	350.274	4.872	40	30		FJEBRN
CCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O	ZINC000408600541	570575515	/nfs/dbraw/zinc/57/55/15/570575515.db2.gz	CUGBEHCVPQNYAG-UYRXBGFRSA-N	0	0	366.486	4.984	40	30		FJEBRN
CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc12	ZINC000408595449	570575671	/nfs/dbraw/zinc/57/56/71/570575671.db2.gz	WZGAPQMLWBAGLH-FYJGNVAPSA-N	0	0	350.374	4.697	40	30		FJEBRN
CC[C@H](C)Oc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1OC	ZINC000408596755	570576723	/nfs/dbraw/zinc/57/67/23/570576723.db2.gz	UDTONYILUQCNKM-XMTZNVEYSA-N	0	0	372.852	4.948	40	30		FJEBRN
CCOc1ccc(/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	ZINC000006962101	570580670	/nfs/dbraw/zinc/58/06/70/570580670.db2.gz	VYPLSPBIEKTZPH-YBFXNURJSA-N	0	0	364.239	4.616	40	30		FJEBRN
N#C[C@]1(C(=O)c2ccccc2)C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000005004824	570617523	/nfs/dbraw/zinc/61/75/23/570617523.db2.gz	PVIDKUKEDKGIPA-DEOSSOPVSA-N	0	0	364.404	4.505	40	30		FJEBRN
COc1ccc2c(C)cc(NN=C(c3ccccc3)c3ccccn3)nc2c1	ZINC000005392981	570625979	/nfs/dbraw/zinc/62/59/79/570625979.db2.gz	CISFVSGQDKSSRY-VYIQYICTSA-N	0	0	368.440	4.811	40	30		FJEBRN
CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1	ZINC000005551674	570630354	/nfs/dbraw/zinc/63/03/54/570630354.db2.gz	WYRHWDTYKQCZRT-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccccc2)c1C	ZINC000408692095	570649211	/nfs/dbraw/zinc/64/92/11/570649211.db2.gz	DGQBYXCXBMYAJI-HZHRSRAPSA-N	0	0	357.461	4.910	40	30		FJEBRN
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C#N)CCC[C@]21C	ZINC000006761476	570653956	/nfs/dbraw/zinc/65/39/56/570653956.db2.gz	BELCZLRITOCYFD-ILWGZMRPSA-N	0	0	353.462	4.659	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1	ZINC000408703818	570656099	/nfs/dbraw/zinc/65/60/99/570656099.db2.gz	YINRVGCMNRHMEC-HNNXBMFYSA-N	0	0	359.853	4.928	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C	ZINC000408710271	570662071	/nfs/dbraw/zinc/66/20/71/570662071.db2.gz	VNFQTOKWZNWMQR-MOPGFXCFSA-N	0	0	352.563	4.718	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccc(C)cc1	ZINC000007457161	570664673	/nfs/dbraw/zinc/66/46/73/570664673.db2.gz	UPLVUAKHZJXIIO-KLPPEWMLSA-N	0	0	365.502	4.685	40	30		FJEBRN
COC(=O)c1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000004921749	570674289	/nfs/dbraw/zinc/67/42/89/570674289.db2.gz	NMOBCZBMCUHSKN-ZVBGSRNCSA-N	0	0	356.731	4.591	40	30		FJEBRN
C=CCN(CC=C)C(=O)c1ccc2nc3ccc4ccccc4c3nc2c1	ZINC000408722682	570676669	/nfs/dbraw/zinc/67/66/69/570676669.db2.gz	VVFJUUFAERKKKD-UHFFFAOYSA-N	0	0	353.425	4.750	40	30		FJEBRN
COc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1	ZINC000408723633	570677484	/nfs/dbraw/zinc/67/74/84/570677484.db2.gz	YNEWTQSZTULGSZ-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
O=[N+]([O-])c1cc(C=Nn2cc(-c3ccccc3)[nH]c2=S)ccc1Cl	ZINC000007736063	570683837	/nfs/dbraw/zinc/68/38/37/570683837.db2.gz	IMTQCGJOLMFSDY-GIJQJNRQSA-N	0	0	358.810	4.656	40	30		FJEBRN
COc1ccc(C/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1	ZINC000408784372	570687270	/nfs/dbraw/zinc/68/72/70/570687270.db2.gz	RYUQRWDGCDGZJM-HMAPJEAMSA-N	0	0	363.417	4.630	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1Cl	ZINC000408738948	570687968	/nfs/dbraw/zinc/68/79/68/570687968.db2.gz	QKPFVSSOUFSZTP-YVLHZVERSA-N	0	0	371.893	4.606	40	30		FJEBRN
COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C)cc2)S1	ZINC000408862103	570693341	/nfs/dbraw/zinc/69/33/41/570693341.db2.gz	IFWZVTMQTJYHFY-SXGWCWSVSA-N	0	0	358.850	4.549	40	30		FJEBRN
COc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1	ZINC000408868139	570693929	/nfs/dbraw/zinc/69/39/29/570693929.db2.gz	LPBZIIJXBIZTOY-YBEGLDIGSA-N	0	0	358.850	4.549	40	30		FJEBRN
CC(C)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1	ZINC000408905285	570696424	/nfs/dbraw/zinc/69/64/24/570696424.db2.gz	WQFNNIIGZMMGJM-VCHYOVAHSA-N	0	0	365.214	4.871	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1c(C)cccc1C	ZINC000408905943	570697033	/nfs/dbraw/zinc/69/70/33/570697033.db2.gz	GLUZGXRHDDTNLS-MSYUKONTSA-N	0	0	352.459	4.633	40	30		FJEBRN
C#CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21	ZINC000408902278	570697549	/nfs/dbraw/zinc/69/75/49/570697549.db2.gz	MRVWOIUZTVSJQW-CPNJWEJPSA-N	0	0	374.490	4.680	40	30		FJEBRN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Cl)c1	ZINC000408912478	570698050	/nfs/dbraw/zinc/69/80/50/570698050.db2.gz	QXYRWVQFQMOPIW-AWQFTUOYSA-N	0	0	370.748	4.988	40	30		FJEBRN
CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CC	ZINC000408930090	570700289	/nfs/dbraw/zinc/70/02/89/570700289.db2.gz	RXLPHVDUQYMLJD-KIOXBDSISA-N	0	0	366.486	4.578	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	ZINC000408935928	570701192	/nfs/dbraw/zinc/70/11/92/570701192.db2.gz	FELVDPVJAIVCLP-OVCLIPMQSA-N	0	0	362.212	4.889	40	30		FJEBRN
CN(C)c1ccc(/N=C\c2cc(Br)c(Br)o2)cc1	ZINC000408949556	570701940	/nfs/dbraw/zinc/70/19/40/570701940.db2.gz	BKUHUIGAKVOIFL-PXNMLYILSA-N	0	0	372.060	4.621	40	30		FJEBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1	ZINC000408954057	570702391	/nfs/dbraw/zinc/70/23/91/570702391.db2.gz	MUPVZGMRVICNNE-UFFVCSGVSA-N	0	0	365.345	4.696	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)S2)cc1	ZINC000408961832	570703734	/nfs/dbraw/zinc/70/37/34/570703734.db2.gz	OIWDGKGORRFHTM-XSFVSMFZSA-N	0	0	373.481	4.986	40	30		FJEBRN
CCOc1ccccc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O	ZINC000408987214	570708408	/nfs/dbraw/zinc/70/84/08/570708408.db2.gz	FDGOEXSDYYWULP-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2sccc2C)C1=O	ZINC000408996287	570709022	/nfs/dbraw/zinc/70/90/22/570709022.db2.gz	HEAXWJUSRHNUQY-PTNGSMBKSA-N	0	0	371.483	4.600	40	30		FJEBRN
COc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1	ZINC000409018541	570713143	/nfs/dbraw/zinc/71/31/43/570713143.db2.gz	XECQJESOBCFWNN-MOSHPQCFSA-N	0	0	355.235	4.999	40	30		FJEBRN
COc1ccccc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1	ZINC000409051680	570716777	/nfs/dbraw/zinc/71/67/77/570716777.db2.gz	BZPVLKYNRILNGB-FXBPSFAMSA-N	0	0	351.427	4.561	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O	ZINC000409070793	570719408	/nfs/dbraw/zinc/71/94/08/570719408.db2.gz	GVMGLYSHIWIVFW-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c1C	ZINC000409094783	570721064	/nfs/dbraw/zinc/72/10/64/570721064.db2.gz	GEFLIHHCKQQLES-JEFZPDFESA-N	0	0	353.491	4.749	40	30		FJEBRN
C=CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OCC	ZINC000409094134	570721239	/nfs/dbraw/zinc/72/12/39/570721239.db2.gz	CELOWVQCZGGLCN-UYRXBGFRSA-N	0	0	353.443	4.735	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O	ZINC000409103593	570722567	/nfs/dbraw/zinc/72/25/67/570722567.db2.gz	CORVNJZGVDCOLA-XMHGGMMESA-N	0	0	364.470	4.662	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1C	ZINC000409101262	570724370	/nfs/dbraw/zinc/72/43/70/570724370.db2.gz	XQDUHKGMKBFDII-SXGWCWSVSA-N	0	0	359.882	4.670	40	30		FJEBRN
C=CCc1cc(CO)cc(OC)c1OCc1ccc(Cl)cc1Cl	ZINC000409110761	570725285	/nfs/dbraw/zinc/72/52/85/570725285.db2.gz	GNXQCXPRLFMRGR-UHFFFAOYSA-N	0	0	353.245	4.802	40	30		FJEBRN
C#CCOc1ccc(Cl)cc1/C=C1/c2ccccc2N(CCC)C1=O	ZINC000409113283	570726185	/nfs/dbraw/zinc/72/61/85/570726185.db2.gz	HLTVTJOQNLAQDN-JXAWBTAJSA-N	0	0	351.833	4.649	40	30		FJEBRN
FC(F)(F)c1ccc(N=NCc2ccc(N3CCCCCC3)o2)nc1	ZINC000409105251	570726580	/nfs/dbraw/zinc/72/65/80/570726580.db2.gz	KFNOEQMKKCNOPO-WSDLNYQXSA-N	0	0	352.360	4.520	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OC	ZINC000409115262	570728951	/nfs/dbraw/zinc/72/89/51/570728951.db2.gz	LHUAZORCACJADB-UHFFFAOYSA-N	0	0	374.278	4.644	40	30		FJEBRN
C#CCOc1ccc(/C=C2/c3ccccc3N(CCC)C2=O)cc1Cl	ZINC000409115618	570728984	/nfs/dbraw/zinc/72/89/84/570728984.db2.gz	SMKVUASBBMQVEW-LGMDPLHJSA-N	0	0	351.833	4.649	40	30		FJEBRN
C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCCCC)C1=O	ZINC000409203031	570740228	/nfs/dbraw/zinc/74/02/28/570740228.db2.gz	UIMNGQCYXPLUDL-VBKFSLOCSA-N	0	0	363.866	4.579	40	30		FJEBRN
CC(C)(C)[C@@H]1CCc2c(C#N)c(N=C3c4ccccc4NC3=O)sc2C1	ZINC000409210059	570740597	/nfs/dbraw/zinc/74/05/97/570740597.db2.gz	HWXDODRSWKMZDS-GFCCVEGCSA-N	0	0	363.486	4.844	40	30		FJEBRN
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c(O)c3)sc2C1	ZINC000409213209	570741027	/nfs/dbraw/zinc/74/10/27/570741027.db2.gz	RNIRTKDZYWPNOU-BTXKWLAHSA-N	0	0	354.475	4.933	40	30		FJEBRN
COc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	ZINC000409212649	570741079	/nfs/dbraw/zinc/74/10/79/570741079.db2.gz	RSFDAHGPXDTKAH-BUVRLJJBSA-N	0	0	374.440	4.772	40	30		FJEBRN
COc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	ZINC000409214972	570741451	/nfs/dbraw/zinc/74/14/51/570741451.db2.gz	VPQDDDZSAMHWTO-IWIPYMOSSA-N	0	0	374.440	4.772	40	30		FJEBRN
Cc1ccsc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1	ZINC000409281209	570748597	/nfs/dbraw/zinc/74/85/97/570748597.db2.gz	CSNWIWJVIYNPEV-UHFFFAOYSA-N	0	0	351.475	4.696	40	30		FJEBRN
O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1	ZINC000409298126	570749289	/nfs/dbraw/zinc/74/92/89/570749289.db2.gz	NNOTVXXLRDYKSL-UHFFFAOYSA-N	0	0	365.864	4.980	40	30		FJEBRN
C=CCOc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1	ZINC000409346104	570752926	/nfs/dbraw/zinc/75/29/26/570752926.db2.gz	NFUCAPQBJRZDAA-LGMDPLHJSA-N	0	0	359.516	4.785	40	30		FJEBRN
Cc1cc(/C=C2\Cc3ccccc3C2=O)c(C)n1-c1oc(C)c(C)c1C#N	ZINC000409367738	570753806	/nfs/dbraw/zinc/75/38/06/570753806.db2.gz	KAWNTONBPFOHCU-YBFXNURJSA-N	0	0	356.425	4.998	40	30		FJEBRN
COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(O)c3)c3ccccc32)o1	ZINC000409394155	570756562	/nfs/dbraw/zinc/75/65/62/570756562.db2.gz	WPJMZJQIAAMZTI-FMCGGJTJSA-N	0	0	374.396	4.525	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1F	ZINC000105453572	570777718	/nfs/dbraw/zinc/77/77/18/570777718.db2.gz	MROZGSZTOOBNFL-UHFFFAOYSA-N	0	0	350.478	4.801	40	30		FJEBRN
O=[N+]([O-])c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1	ZINC000008811435	570779634	/nfs/dbraw/zinc/77/96/34/570779634.db2.gz	GQIMXFMNKFRIKA-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1	ZINC000010118799	570801043	/nfs/dbraw/zinc/80/10/43/570801043.db2.gz	PRIICSUGUZSTQR-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S	ZINC000004551145	570827559	/nfs/dbraw/zinc/82/75/59/570827559.db2.gz	LRMYCTWHWUHRHN-AQTBWJFISA-N	0	0	367.495	4.653	40	30		FJEBRN
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000016004792	570864936	/nfs/dbraw/zinc/86/49/36/570864936.db2.gz	YXMGQOXWUJRXRY-UHFFFAOYSA-N	0	0	374.893	4.948	40	30		FJEBRN
O=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2	ZINC000019596587	570895634	/nfs/dbraw/zinc/89/56/34/570895634.db2.gz	QEXMYNHWSQXBPT-UHFFFAOYSA-N	0	0	362.256	4.694	40	30		FJEBRN
CC1=Nc2ccccc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000031759894	571055638	/nfs/dbraw/zinc/05/56/38/571055638.db2.gz	CXXIYKBZSLAGHP-WOJGMQOQSA-N	0	0	362.816	4.685	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225832663	571072014	/nfs/dbraw/zinc/07/20/14/571072014.db2.gz	FAJAIBHLIWGGNX-HRAATJIYSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCCCCCCCCCCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000071788291	571084081	/nfs/dbraw/zinc/08/40/81/571084081.db2.gz	FDSLJAYOPNMZIY-PMACEKPBSA-N	0	0	355.563	4.988	40	30		FJEBRN
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)c1	ZINC000059459422	571089280	/nfs/dbraw/zinc/08/92/80/571089280.db2.gz	QDVZJCIHSYGDKP-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
O=[N+]([O-])c1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1	ZINC000059461365	571089560	/nfs/dbraw/zinc/08/95/60/571089560.db2.gz	DEAVLNIPSOYFSN-SGNWVPJISA-N	0	0	367.386	4.785	40	30		FJEBRN
Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2cc(C)ccc2C)NC1=O	ZINC000059459440	571089577	/nfs/dbraw/zinc/08/95/77/571089577.db2.gz	AYRKIUILHLDVDG-ODLFYWEKSA-N	0	0	361.470	4.985	40	30		FJEBRN
COc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O	ZINC000059461364	571089696	/nfs/dbraw/zinc/08/96/96/571089696.db2.gz	ODHMODHQVHTDJX-HLNVMSFQSA-N	0	0	368.414	4.591	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O	ZINC000059488289	571091145	/nfs/dbraw/zinc/09/11/45/571091145.db2.gz	WXTGBOTZORRNFX-MHWRWJLKSA-N	0	0	374.223	4.903	40	30		FJEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2F)c(Br)c1	ZINC000216818261	571147297	/nfs/dbraw/zinc/14/72/97/571147297.db2.gz	WYQOCWGRDXYCDF-UHFFFAOYSA-N	0	0	365.198	4.510	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2cc1C	ZINC000034791563	571167383	/nfs/dbraw/zinc/16/73/83/571167383.db2.gz	CEHPFOGCRPNQCO-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
CC1=C(C(=O)c2ccccc2Cl)[C@@H](c2ccccc2Cl)NC(=O)N1	ZINC000026780243	571169099	/nfs/dbraw/zinc/16/90/99/571169099.db2.gz	QPZKPCZBUUQBOI-MRXNPFEDSA-N	0	0	361.228	4.504	40	30		FJEBRN
C=CCc1cc(C(=O)NCCCc2ccc(C(C)C)cc2)ccc1OC	ZINC000218660915	571173856	/nfs/dbraw/zinc/17/38/56/571173856.db2.gz	ZDCTXCIJGXXNHO-UHFFFAOYSA-N	0	0	351.490	4.910	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1	ZINC000219793410	571174978	/nfs/dbraw/zinc/17/49/78/571174978.db2.gz	XDJLNVOQCHODBG-IBGZPJMESA-N	0	0	369.461	4.540	40	30		FJEBRN
C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(C(=O)OCC)cc1	ZINC000102962783	571179812	/nfs/dbraw/zinc/17/98/12/571179812.db2.gz	SYCWEGXJPJATGJ-QURGRASLSA-N	0	0	364.470	4.812	40	30		FJEBRN
Cc1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	ZINC000001773793	571192540	/nfs/dbraw/zinc/19/25/40/571192540.db2.gz	HPTFXVXPZDRKKA-OAHLLOKOSA-N	0	0	368.502	4.851	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1	ZINC000222714227	571204232	/nfs/dbraw/zinc/20/42/32/571204232.db2.gz	WWMISXBJPVHLKU-UHFFFAOYSA-N	0	0	361.536	4.685	40	30		FJEBRN
C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OC)c(=O)c1ccccc14	ZINC000008764708	571204692	/nfs/dbraw/zinc/20/46/92/571204692.db2.gz	JKCQDNNWZHKLIR-UHFFFAOYSA-N	0	0	354.409	4.719	40	30		FJEBRN
C=CCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1	ZINC000039989276	571206172	/nfs/dbraw/zinc/20/61/72/571206172.db2.gz	GCEJWEPCKRAYPV-GQCTYLIASA-N	0	0	372.302	4.775	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@@H]3C=CC[C@@H]23)c1	ZINC000138335928	571240511	/nfs/dbraw/zinc/24/05/11/571240511.db2.gz	OOLPSPFENZMUGE-GGVQKYQNSA-N	0	0	359.804	4.597	40	30		FJEBRN
C/C(=N\OCc1csc(C(C)C)n1)c1nc2ccccc2n1C(F)F	ZINC000221825521	571275357	/nfs/dbraw/zinc/27/53/57/571275357.db2.gz	YWHATHKGAFFLKW-SSDVNMTOSA-N	0	0	364.421	4.952	40	30		FJEBRN
C#CCOc1ccccc1CNc1ccc(Br)c(Cl)c1	ZINC000218015358	571277137	/nfs/dbraw/zinc/27/71/37/571277137.db2.gz	HIHWMHVXOYRSMP-UHFFFAOYSA-N	0	0	350.643	4.727	40	30		FJEBRN
CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccccc1	ZINC000006960885	571297857	/nfs/dbraw/zinc/29/78/57/571297857.db2.gz	AZJCGSAXARHLIP-LFVJCYFKSA-N	0	0	374.440	4.853	40	30		FJEBRN
CCOc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	ZINC000006962606	571298016	/nfs/dbraw/zinc/29/80/16/571298016.db2.gz	PICBRRGPOWYDMA-LFVJCYFKSA-N	0	0	374.440	4.853	40	30		FJEBRN
Cn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000007343351	571298757	/nfs/dbraw/zinc/29/87/57/571298757.db2.gz	MSHVJUSRVQJBMS-CIAFOILYSA-N	0	0	350.809	4.933	40	30		FJEBRN
C=CCOc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1	ZINC000008049619	571300048	/nfs/dbraw/zinc/30/00/48/571300048.db2.gz	QHOCMJDKSQXSPB-UHFFFAOYSA-N	0	0	361.894	4.568	40	30		FJEBRN
O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1	ZINC000008811456	571302140	/nfs/dbraw/zinc/30/21/40/571302140.db2.gz	CMJPSJQDQHGFIM-SSDVNMTOSA-N	0	0	373.771	4.771	40	30		FJEBRN
CCOC(=O)c1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1	ZINC000006340265	571310268	/nfs/dbraw/zinc/31/02/68/571310268.db2.gz	KJNYOSAILQJNQW-NBVRZTHBSA-N	0	0	358.393	4.946	40	30		FJEBRN
C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1	ZINC000214373316	571311336	/nfs/dbraw/zinc/31/13/36/571311336.db2.gz	ZYCGDNWZTOPGLR-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1	ZINC000214359023	571311356	/nfs/dbraw/zinc/31/13/56/571311356.db2.gz	HQVXCKOXGZIFKO-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1cccs1	ZINC000012032486	571322254	/nfs/dbraw/zinc/32/22/54/571322254.db2.gz	GRNXLJUITYMIGR-XYOKQWHBSA-N	0	0	354.378	4.659	40	30		FJEBRN
CCOc1cc(-c2cc(-c3ccc(C)c(C)c3)nc(N)c2C#N)ccc1O	ZINC000019848454	571327432	/nfs/dbraw/zinc/32/74/32/571327432.db2.gz	PBIMRLOYRQLKOR-UHFFFAOYSA-N	0	0	359.429	4.591	40	30		FJEBRN
COc1ccc([C@@H](CNc2oc(C)nc2C#N)c2c[nH]c3ccccc32)cc1	ZINC000094992877	571328635	/nfs/dbraw/zinc/32/86/35/571328635.db2.gz	VVZAWZCSFDYOHQ-GOSISDBHSA-N	0	0	372.428	4.589	40	30		FJEBRN
CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C#N)c1	ZINC000225830813	571338560	/nfs/dbraw/zinc/33/85/60/571338560.db2.gz	KFFHSQRYTSATKW-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225854684	571338731	/nfs/dbraw/zinc/33/87/31/571338731.db2.gz	VVAYQOFUCQTFNY-KKSFZXQISA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1	ZINC000225855078	571338736	/nfs/dbraw/zinc/33/87/36/571338736.db2.gz	BARMDHKYTCGVNF-IIBYNOLFSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@H](C)C1	ZINC000225855460	571338783	/nfs/dbraw/zinc/33/87/83/571338783.db2.gz	AIOPKCIUQVFBCL-HTAPYJJXSA-N	0	0	372.509	4.907	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)c(C#N)c1	ZINC000225856942	571338792	/nfs/dbraw/zinc/33/87/92/571338792.db2.gz	KDXYZPYOFDMQEZ-UHFFFAOYSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1	ZINC000004125284	571355742	/nfs/dbraw/zinc/35/57/42/571355742.db2.gz	JRRJWCMAPMMAIJ-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	ZINC000219640420	222705321	/nfs/dbraw/zinc/70/53/21/222705321.db2.gz	GIPUIRZZJJUAKI-UHFFFAOYSA-N	0	0	357.409	4.735	40	30		FJEBRN
COC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N	ZINC000000853508	219331159	/nfs/dbraw/zinc/33/11/59/219331159.db2.gz	JPYPJCDJNUITDM-UHFFFAOYSA-N	0	0	374.465	4.861	40	30		FJEBRN
COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O	ZINC000033526123	209858552	/nfs/dbraw/zinc/85/85/52/209858552.db2.gz	YNJDVOZKWNARLK-MHWRWJLKSA-N	0	0	358.850	4.549	40	30		FJEBRN
CCOC(=O)C1=C(C)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)s1	ZINC000001084994	219367257	/nfs/dbraw/zinc/36/72/57/219367257.db2.gz	JPZCTSVFFQFAFK-IBGZPJMESA-N	0	0	374.502	4.905	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1	ZINC000001354358	219398432	/nfs/dbraw/zinc/39/84/32/219398432.db2.gz	YPUKZXRRUGVKAR-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)cc1	ZINC000225490159	222845192	/nfs/dbraw/zinc/84/51/92/222845192.db2.gz	ZJMWUKKHAWAURH-LJQANCHMSA-N	0	0	356.491	4.698	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000004754846	219604763	/nfs/dbraw/zinc/60/47/63/219604763.db2.gz	LDEAZHDBJTVEIA-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@@H](c3ccccc3)[C@H]1CC2	ZINC000018100098	209607510	/nfs/dbraw/zinc/60/75/10/209607510.db2.gz	TUABOXZEXOEAHC-CTFZXFHNSA-N	0	0	360.457	4.511	40	30		FJEBRN
O=C(/C=C/c1ccccc1Cl)c1ccc(I)cc1	ZINC000006322780	219724956	/nfs/dbraw/zinc/72/49/56/219724956.db2.gz	URTKJNJWYZAOLH-JXMROGBWSA-N	0	0	368.601	4.841	40	30		FJEBRN
COc1ccc(OC)c(C=NNc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000004922856	209432046	/nfs/dbraw/zinc/43/20/46/209432046.db2.gz	GHDDCHRDPKKJKB-ZVBGSRNCSA-N	0	0	358.747	4.822	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1	ZINC000225933138	209366209	/nfs/dbraw/zinc/36/62/09/209366209.db2.gz	OIZQEVNGKXSIEQ-UHFFFAOYSA-N	0	0	350.462	4.795	40	30		FJEBRN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(Cl)c2Cl)n1	ZINC000000888414	209380514	/nfs/dbraw/zinc/38/05/14/209380514.db2.gz	UOJVCZKTGXSIJU-UHFFFAOYSA-N	0	0	366.273	4.608	40	30		FJEBRN
CC(C)(C)c1cc(Br)cc(/C=N/c2cccc(CO)c2)c1O	ZINC000000865476	209379317	/nfs/dbraw/zinc/37/93/17/209379317.db2.gz	FXKCBBWINNTERE-KEBDBYFISA-N	0	0	362.267	4.695	40	30		FJEBRN
CN1C2=C(C(=O)CCC2)C(c2cccc3ccccc32)C2=C1CCCC2=O	ZINC000000807531	209376918	/nfs/dbraw/zinc/37/69/18/209376918.db2.gz	LCZRUYVEHLDFHO-UHFFFAOYSA-N	0	0	357.453	4.883	40	30		FJEBRN
CCN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC	ZINC000118917959	209348319	/nfs/dbraw/zinc/34/83/19/209348319.db2.gz	QIWHTHRIASTAHD-BXEOAJGKSA-N	0	0	371.565	4.715	40	30		FJEBRN
N#Cc1ccccc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1	ZINC000328971239	223126512	/nfs/dbraw/zinc/12/65/12/223126512.db2.gz	DOIPINPYYGAEJL-UHFFFAOYSA-N	0	0	374.753	4.853	40	30		FJEBRN
COc1ccc(/C=N\c2oc(-c3ccc(OC)cc3)nc2SC)cc1	ZINC000104153951	209259009	/nfs/dbraw/zinc/25/90/09/209259009.db2.gz	KMWZHFMNOMQDGT-NDENLUEZSA-N	0	0	354.431	4.831	40	30		FJEBRN
O=C(C(=NN=C1C(=O)Nc2ccc(F)cc21)c1ccccc1)c1ccccc1	ZINC000013127474	220058321	/nfs/dbraw/zinc/05/83/21/220058321.db2.gz	CJLOXVPVFZEKRK-NCELDCMTSA-N	0	0	371.371	4.504	40	30		FJEBRN
COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@H](c3ccccc3)[C@@H]1CC2	ZINC000013124079	220059012	/nfs/dbraw/zinc/05/90/12/220059012.db2.gz	TUABOXZEXOEAHC-SJAFXVJJSA-N	0	0	360.457	4.511	40	30		FJEBRN
Clc1ccc(N=C2NC(=Nc3ccc(Cl)cn3)c3ccccc32)nc1	ZINC000017108116	220206003	/nfs/dbraw/zinc/20/60/03/220206003.db2.gz	FEYVBCVEXZYFQO-UHFFFAOYSA-N	0	0	368.227	4.543	40	30		FJEBRN
Cc1cc(C)c(C)c(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	ZINC000005697555	206691174	/nfs/dbraw/zinc/69/11/74/206691174.db2.gz	ALVPXQMEIOIMKX-RGEXLXHISA-N	0	0	356.382	4.573	40	30		FJEBRN
C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1C	ZINC000001463628	206740479	/nfs/dbraw/zinc/74/04/79/206740479.db2.gz	GHVHEWNPVITEDZ-UHFFFAOYSA-O	0	0	352.439	4.849	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2cccc3c(Br)cccc23)cc1	ZINC000004265720	207008826	/nfs/dbraw/zinc/00/88/26/207008826.db2.gz	SBVYANKWDMUVGY-YBFXNURJSA-N	0	0	370.206	4.957	40	30		FJEBRN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(O)cc1C	ZINC000005250338	207089837	/nfs/dbraw/zinc/08/98/37/207089837.db2.gz	OOCRLMUDEKKMOU-UHFFFAOYSA-N	0	0	356.429	4.988	40	30		FJEBRN
Cc1ccc(O)c(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)c1	ZINC000005277198	207092032	/nfs/dbraw/zinc/09/20/32/207092032.db2.gz	RXWXYQBUCQFNJE-UHFFFAOYSA-N	0	0	354.413	4.606	40	30		FJEBRN
O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/C=C/c1ccco1	ZINC000005376746	207096899	/nfs/dbraw/zinc/09/68/99/207096899.db2.gz	UTBQQVAVXYULKK-HNBAAQFOSA-N	0	0	364.348	4.746	40	30		FJEBRN
O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccs1	ZINC000005376776	207097467	/nfs/dbraw/zinc/09/74/67/207097467.db2.gz	BUCHNRPWTFYHLC-KPKJPENVSA-N	0	0	355.271	4.947	40	30		FJEBRN
CC(=O)/C(=C\n1c2ccccc2sc1=S)C(=O)Nc1ccccc1C	ZINC000005579787	207107704	/nfs/dbraw/zinc/10/77/04/207107704.db2.gz	TZDWRHSGVABMAW-SDNWHVSQSA-N	0	0	368.483	4.809	40	30		FJEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1	ZINC000005588515	207108044	/nfs/dbraw/zinc/10/80/44/207108044.db2.gz	HCTVOPQAZICJOP-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
Cc1ccc(C(=O)/C=C/N2CCC(=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000006501842	207141597	/nfs/dbraw/zinc/14/15/97/207141597.db2.gz	ZXHHIUTXXIYHFE-NTCAYCPXSA-N	0	0	362.429	4.779	40	30		FJEBRN
COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccc(Cl)cc2)o1	ZINC000008495876	207235385	/nfs/dbraw/zinc/23/53/85/207235385.db2.gz	KFOZFLIMAPABBP-DHZHZOJOSA-N	0	0	365.820	4.991	40	30		FJEBRN
COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccccc2Cl)o1	ZINC000008495883	207235599	/nfs/dbraw/zinc/23/55/99/207235599.db2.gz	UYGHTFAHAOXYQE-ZHACJKMWSA-N	0	0	365.820	4.991	40	30		FJEBRN
Clc1cccc(Cl)c1CN/N=C/c1cccc(Br)c1	ZINC000009195747	207260840	/nfs/dbraw/zinc/26/08/40/207260840.db2.gz	GRNBYKLFMADVFW-QGMBQPNBSA-N	0	0	358.066	4.880	40	30		FJEBRN
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C#N)o1	ZINC000015009052	207537003	/nfs/dbraw/zinc/53/70/03/207537003.db2.gz	AAAYRIDZGBBNGF-MOSHPQCFSA-N	0	0	353.381	4.624	40	30		FJEBRN
CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2	ZINC000016161321	207580299	/nfs/dbraw/zinc/58/02/99/207580299.db2.gz	ISKTYYHKSZLXIA-HIXSDJFHSA-N	0	0	374.440	4.641	40	30		FJEBRN
CC(=CC(=O)c1cccnc1)Nc1ccc(Br)cc1Cl	ZINC000032100676	208024841	/nfs/dbraw/zinc/02/48/41/208024841.db2.gz	PYEIDZUVMZGJLT-JXMROGBWSA-N	0	0	351.631	4.696	40	30		FJEBRN
O=[N+]([O-])c1ccc(NN=Cc2cccc3c(Br)cccc23)cc1	ZINC000033368210	208088355	/nfs/dbraw/zinc/08/83/55/208088355.db2.gz	SBVYANKWDMUVGY-ODLFYWEKSA-N	0	0	370.206	4.957	40	30		FJEBRN
COc1cccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1	ZINC000034791592	208108566	/nfs/dbraw/zinc/10/85/66/208108566.db2.gz	OWGGNLJKBLSYPI-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000079793615	208254617	/nfs/dbraw/zinc/25/46/17/208254617.db2.gz	PDVBJOFBNYIZJE-LMKQXYAQSA-N	0	0	356.506	4.862	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)ccc1OC	ZINC000020038988	220310177	/nfs/dbraw/zinc/31/01/77/220310177.db2.gz	VAXNLULHJFRJQX-UHFFFAOYSA-N	0	0	373.836	4.506	40	30		FJEBRN
COc1cccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1	ZINC000035289031	220776247	/nfs/dbraw/zinc/77/62/47/220776247.db2.gz	QWZCXLDKNXHQJA-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
Cc1nc2sc3c(c2c(N=NC(C)c2ccc(C#N)cc2)n1)CCCC3	ZINC000057420075	221088299	/nfs/dbraw/zinc/08/82/99/221088299.db2.gz	GZASULMIAILZTR-MSXFZWOLSA-N	0	0	361.474	4.586	40	30		FJEBRN
Oc1cc(Br)ccc1/C=N/c1ccc(N2CCCCC2)cc1	ZINC000101651844	132234025	/nfs/dbraw/zinc/23/40/25/132234025.db2.gz	USJAQHQDLYPMHB-DEDYPNTBSA-N	0	0	359.267	4.896	40	30		FJEBRN
C[C@@H]1CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21	ZINC000208205002	132268239	/nfs/dbraw/zinc/26/82/39/132268239.db2.gz	PVQKHFUEMDIYAU-CNRHGSOZSA-N	0	0	352.438	4.763	40	30		FJEBRN
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21	ZINC000208202785	132268450	/nfs/dbraw/zinc/26/84/50/132268450.db2.gz	RHRIWDQIFUSTON-HSMAQGNYSA-N	0	0	366.534	4.729	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=S	ZINC000208444003	132374190	/nfs/dbraw/zinc/37/41/90/132374190.db2.gz	DJRPOVWOLBLNHD-BOPFTXTBSA-N	0	0	370.543	4.706	40	30		FJEBRN
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000100116777	222236437	/nfs/dbraw/zinc/23/64/37/222236437.db2.gz	BIPLUFVYFSJNKH-UDWIEESQSA-N	0	0	364.361	4.661	40	30		FJEBRN
CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccccc1	ZINC000100233537	222239684	/nfs/dbraw/zinc/23/96/84/222239684.db2.gz	LBWBXBATWYAAST-CAUPHXMNSA-N	0	0	367.430	4.609	40	30		FJEBRN
CC(C=NN1C(=S)N=NC1c1ccc(Cl)cc1)=Cc1ccccc1	ZINC000004679931	263335701	/nfs/dbraw/zinc/33/57/01/263335701.db2.gz	KFFLDGCWIGVHPU-VKBYYTARSA-N	0	0	354.866	4.825	40	30		FJEBRN
C=CCSc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1	ZINC000030611926	263390996	/nfs/dbraw/zinc/39/09/96/263390996.db2.gz	YOMJQDFJLIWKPX-UHFFFAOYSA-N	0	0	374.318	4.694	40	30		FJEBRN
C[C@@H](C(=NNc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21	ZINC000073417627	263424613	/nfs/dbraw/zinc/42/46/13/263424613.db2.gz	QFIOQZMUCYTKEW-RYGQGHFVSA-N	0	0	372.424	4.547	40	30		FJEBRN
C=CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000408610756	263480805	/nfs/dbraw/zinc/48/08/05/263480805.db2.gz	SATKWLKNTMBPKP-UHFFFAOYSA-N	0	0	362.813	4.824	40	30		FJEBRN
Cc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	ZINC000408721965	263490636	/nfs/dbraw/zinc/49/06/36/263490636.db2.gz	BSQQBPQQUSNNEH-LNVKXUELSA-N	0	0	374.396	4.707	40	30		FJEBRN
CCOc1cccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1	ZINC000408737655	263494311	/nfs/dbraw/zinc/49/43/11/263494311.db2.gz	FWZOPXBRCOCDNS-YVLHZVERSA-N	0	0	372.877	4.939	40	30		FJEBRN
O=C(NCc1ccco1)c1c2c(sc1/N=C\c1ccccc1)CCCC2	ZINC000408858303	263502137	/nfs/dbraw/zinc/50/21/37/263502137.db2.gz	YDHNYFLNTKODQG-QRVIBDJDSA-N	0	0	364.470	4.901	40	30		FJEBRN
COc1ccc(/C=C(/C(=O)Nc2ccc(CC#N)cc2)c2ccccc2)cc1	ZINC000408907819	263506615	/nfs/dbraw/zinc/50/66/15/263506615.db2.gz	SSCRSCNXULZULU-HAVVHWLPSA-N	0	0	368.436	4.941	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	ZINC000408940014	263509073	/nfs/dbraw/zinc/50/90/73/263509073.db2.gz	NIPNDHFIMXAXHE-CXUHLZMHSA-N	0	0	362.212	4.889	40	30		FJEBRN
COc1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408953006	263510181	/nfs/dbraw/zinc/51/01/81/263510181.db2.gz	NTMNRASBWBWLCL-UDWIEESQSA-N	0	0	355.781	4.798	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)c1	ZINC000408965820	263510572	/nfs/dbraw/zinc/51/05/72/263510572.db2.gz	IVQIXXSFTQSQMC-UCQKPKSFSA-N	0	0	362.429	4.727	40	30		FJEBRN
CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(O)ccc1O	ZINC000409051630	263519926	/nfs/dbraw/zinc/51/99/26/263519926.db2.gz	MCLNHJCFABWPAM-JMIUGGIZSA-N	0	0	359.838	4.711	40	30		FJEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccccc1SC	ZINC000409091428	263525331	/nfs/dbraw/zinc/52/53/31/263525331.db2.gz	UHFUJTDZYFDJAH-KGENOOAVSA-N	0	0	356.491	4.777	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccc(F)cc1	ZINC000409224400	263543270	/nfs/dbraw/zinc/54/32/70/263543270.db2.gz	HLWXVNVLGPLBBZ-LMDBJESCSA-N	0	0	370.449	4.767	40	30		FJEBRN
Nn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N/N=C1CCCCC1	ZINC000409379292	263553761	/nfs/dbraw/zinc/55/37/61/263553761.db2.gz	WPJWOYNVQMYBCF-DARPEHSRSA-N	0	0	362.502	4.818	40	30		FJEBRN
COC(=O)c1ccc(Cn2cc(/C=N/c3ccccc3)c3ccccc32)o1	ZINC000409389102	263554879	/nfs/dbraw/zinc/55/48/79/263554879.db2.gz	AJZKBJCLPHWNEU-YDZHTSKRSA-N	0	0	358.397	4.820	40	30		FJEBRN
C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccccc1OC(F)F	ZINC000035241177	518451155	/nfs/dbraw/zinc/45/11/55/518451155.db2.gz	BRZBEIWEUZSNKD-XKZIYDEJSA-N	0	0	363.433	4.615	40	30		FJEBRN
C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224927833	518803821	/nfs/dbraw/zinc/80/38/21/518803821.db2.gz	WVLDOIWCTDRZAB-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224927238	518809434	/nfs/dbraw/zinc/80/94/34/518809434.db2.gz	KUFXVTDLMOKHIJ-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224933099	518815305	/nfs/dbraw/zinc/81/53/05/518815305.db2.gz	IIOBTJYQTZMTQT-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225052027	518815561	/nfs/dbraw/zinc/81/55/61/518815561.db2.gz	XTGGDAOFFPLUJE-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1	ZINC000216899484	518967391	/nfs/dbraw/zinc/96/73/91/518967391.db2.gz	GGZBJIOAZVAPCT-YRNVUSSQSA-N	0	0	358.821	4.670	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1	ZINC000224945591	519038478	/nfs/dbraw/zinc/03/84/78/519038478.db2.gz	COBSOPOEIHAONK-JOCHJYFZSA-N	0	0	365.473	4.926	40	30		FJEBRN
C=CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1	ZINC000225071550	519039874	/nfs/dbraw/zinc/03/98/74/519039874.db2.gz	UWBOWKUHAKVIQN-UHFFFAOYSA-N	0	0	366.642	4.920	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1	ZINC000225709744	519054503	/nfs/dbraw/zinc/05/45/03/519054503.db2.gz	LRRNMCHLNQZTEG-JOCHJYFZSA-N	0	0	365.473	4.926	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1	ZINC000224540145	519056697	/nfs/dbraw/zinc/05/66/97/519056697.db2.gz	YWMLAJNIRJZVEL-INIZCTEOSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2)c1	ZINC000225598872	519056934	/nfs/dbraw/zinc/05/69/34/519056934.db2.gz	YFYSCPKZKLPXTI-UHFFFAOYSA-N	0	0	372.559	4.861	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCc2ccccc2OCC)c1	ZINC000225397868	519058378	/nfs/dbraw/zinc/05/83/78/519058378.db2.gz	GNLOQYYADMUMAV-UHFFFAOYSA-N	0	0	370.518	4.569	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\S/C(=N\c2cccc(C)c2C)NC1=O	ZINC000008415214	519065167	/nfs/dbraw/zinc/06/51/67/519065167.db2.gz	FCRSYLRJRQUGSK-UYRXBGFRSA-N	0	0	364.470	4.760	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1nnc(SCCC)s1	ZINC000225264130	519078462	/nfs/dbraw/zinc/07/84/62/519078462.db2.gz	SQUABIGARPTFRE-UHFFFAOYSA-N	0	0	351.522	4.571	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)ccc1OC	ZINC000225184278	519128719	/nfs/dbraw/zinc/12/87/19/519128719.db2.gz	BRAWKUWLMXKBHW-IBGZPJMESA-N	0	0	353.462	4.622	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)ccc1OC	ZINC000225184315	519128779	/nfs/dbraw/zinc/12/87/79/519128779.db2.gz	BRAWKUWLMXKBHW-LJQANCHMSA-N	0	0	353.462	4.622	40	30		FJEBRN
CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1OC	ZINC000032114953	519913805	/nfs/dbraw/zinc/91/38/05/519913805.db2.gz	NNYZQFUZAMIAQG-CIAFOILYSA-N	0	0	360.841	4.934	40	30		FJEBRN
CCCCCCCCC(=O)N1SC(=NC(=O)OC)Nc2ccccc21	ZINC000001580374	519973337	/nfs/dbraw/zinc/97/33/37/519973337.db2.gz	QLWRCOPOVYGVGG-UHFFFAOYSA-N	0	0	363.483	4.776	40	30		FJEBRN
COc1ccc(Cl)cc1C(=O)O/N=C/c1ccccc1C(F)(F)F	ZINC000008306363	524198841	/nfs/dbraw/zinc/19/88/41/524198841.db2.gz	UWXHMNJHBDBLQZ-ZVBGSRNCSA-N	0	0	357.715	4.558	40	30		FJEBRN
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccccc1[N+](=O)[O-]	ZINC000017195945	525031292	/nfs/dbraw/zinc/03/12/92/525031292.db2.gz	DDIRYQQRNWLODI-GHVJWSGMSA-N	0	0	362.393	4.952	40	30		FJEBRN
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccccc1[N+](=O)[O-]	ZINC000104283848	525031609	/nfs/dbraw/zinc/03/16/09/525031609.db2.gz	DDIRYQQRNWLODI-FCQUAONHSA-N	0	0	362.393	4.952	40	30		FJEBRN
N#CCc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1	ZINC000105877163	526482681	/nfs/dbraw/zinc/48/26/81/526482681.db2.gz	JAWLRSJAPOGHFC-UHFFFAOYSA-N	0	0	365.285	4.931	40	30		FJEBRN
C=CCNC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1	ZINC000257327142	526524899	/nfs/dbraw/zinc/52/48/99/526524899.db2.gz	XADIVIAQDNQEDZ-UHFFFAOYSA-N	0	0	363.501	4.612	40	30		FJEBRN
O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1cc(Cl)cc(Cl)c1	ZINC000223741828	527087779	/nfs/dbraw/zinc/08/77/79/527087779.db2.gz	QUWNYQZWLLSRTB-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1ccc(Cl)cc1Cl	ZINC000223741754	527087895	/nfs/dbraw/zinc/08/78/95/527087895.db2.gz	YBFUJVMRDOMGQH-UHFFFAOYSA-N	0	0	374.149	4.781	40	30		FJEBRN
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1	ZINC000005822396	527653741	/nfs/dbraw/zinc/65/37/41/527653741.db2.gz	BHUYEFNOZGAZPA-KNBRTIFXSA-N	0	0	370.404	4.890	40	30		FJEBRN
COc1ccc(CN/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC	ZINC000216059010	568103101	/nfs/dbraw/zinc/10/31/01/568103101.db2.gz	WMTDXKCRNLHXNX-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)CC2=O	ZINC000004821052	570496867	/nfs/dbraw/zinc/49/68/67/570496867.db2.gz	ILHUGSXRANMEIC-BJKOFHAPSA-N	0	0	373.452	4.916	40	30		FJEBRN
O=C1c2ccccc2C(=O)C(Nc2cc(Cl)ccc2Cl)=C1Cl	ZINC000001613763	570502933	/nfs/dbraw/zinc/50/29/33/570502933.db2.gz	VESMOGLGIAKDOZ-UHFFFAOYSA-N	0	0	352.604	4.935	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	ZINC000001680117	570504622	/nfs/dbraw/zinc/50/46/22/570504622.db2.gz	DFVAZIHCZQJIBG-LJQANCHMSA-N	0	0	361.357	4.672	40	30		FJEBRN
S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc2ccccc12	ZINC000002234950	570517726	/nfs/dbraw/zinc/51/77/26/570517726.db2.gz	IOHVZVQASPCBFA-MTJSOVHGSA-N	0	0	364.861	4.923	40	30		FJEBRN
Cc1ccsc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002289710	570518476	/nfs/dbraw/zinc/51/84/76/570518476.db2.gz	QEKTWPPNURCVKE-IDUWFGFVSA-N	0	0	369.302	4.793	40	30		FJEBRN
COc1cc(COc2ccc(/C=N\O)cc2)ccc1OCc1ccccc1	ZINC000408540445	570527935	/nfs/dbraw/zinc/52/79/35/570527935.db2.gz	RXJRHKFPKFFNEJ-UCQKPKSFSA-N	0	0	363.413	4.661	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1	ZINC000004848936	570534521	/nfs/dbraw/zinc/53/45/21/570534521.db2.gz	HUUGHCMXRIWWHF-UHFFFAOYSA-N	0	0	365.433	4.539	40	30		FJEBRN
CC(C)c1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1	ZINC000004848975	570534937	/nfs/dbraw/zinc/53/49/37/570534937.db2.gz	INYMBNQRFYYRHW-HNNXBMFYSA-N	0	0	367.518	4.580	40	30		FJEBRN
CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225827411	570539040	/nfs/dbraw/zinc/53/90/40/570539040.db2.gz	RZCFMMIXAXBHHM-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
COc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc(Cl)c1O	ZINC000408563857	570557461	/nfs/dbraw/zinc/55/74/61/570557461.db2.gz	QXYQQALDZVDEBD-LFKWHJGZSA-N	0	0	362.731	4.565	40	30		FJEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)c1	ZINC000408589081	570567311	/nfs/dbraw/zinc/56/73/11/570567311.db2.gz	CXIKQIAJLRTKDK-HYARGMPZSA-N	0	0	362.385	4.725	40	30		FJEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2cccn2-c2ccc(Cl)cc2)c1	ZINC000408591694	570572778	/nfs/dbraw/zinc/57/27/78/570572778.db2.gz	JYVNVCAGAWMYEP-UDWIEESQSA-N	0	0	355.781	4.590	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(F)cc2)cc1	ZINC000408594077	570575030	/nfs/dbraw/zinc/57/50/30/570575030.db2.gz	RYJDUPVOVHWWDZ-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408605969	570578185	/nfs/dbraw/zinc/57/81/85/570578185.db2.gz	ZOBQZEWRMDHSDF-RVAQLADHSA-N	0	0	352.459	4.756	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC	ZINC000408610635	570582733	/nfs/dbraw/zinc/58/27/33/570582733.db2.gz	QUIYBDYNCWIECB-UHFFFAOYSA-N	0	0	354.208	4.765	40	30		FJEBRN
C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1	ZINC000224986910	570599286	/nfs/dbraw/zinc/59/92/86/570599286.db2.gz	MMYVCLDEDFBRIU-UHFFFAOYSA-N	0	0	371.886	4.582	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCCc2ccccc2Cl)c1	ZINC000225541963	570609411	/nfs/dbraw/zinc/60/94/11/570609411.db2.gz	GEEAGAGGLOFALA-UHFFFAOYSA-N	0	0	360.910	4.824	40	30		FJEBRN
Cc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1	ZINC000005376306	570625631	/nfs/dbraw/zinc/62/56/31/570625631.db2.gz	FSVIPTQSBHINEL-GDNBJRDFSA-N	0	0	362.376	4.905	40	30		FJEBRN
COc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1	ZINC000005551451	570630279	/nfs/dbraw/zinc/63/02/79/570630279.db2.gz	JZUUTOSNTJDLFN-COVZNBLNSA-N	0	0	350.443	4.533	40	30		FJEBRN
C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)cc1	ZINC000005551295	570630295	/nfs/dbraw/zinc/63/02/95/570630295.db2.gz	AYMSVEPQZCTQLT-RGEXLXHISA-N	0	0	364.470	4.705	40	30		FJEBRN
CC(C)(C)C1CCC(=Nn2cnc3sc4c(c3c2=O)CCCC4)CC1	ZINC000005976477	570639640	/nfs/dbraw/zinc/63/96/40/570639640.db2.gz	AIDXRDSQLPPKJH-UHFFFAOYSA-N	0	0	357.523	4.777	40	30		FJEBRN
CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1	ZINC000001804666	570643256	/nfs/dbraw/zinc/64/32/56/570643256.db2.gz	FGZWBLSWYBBVPC-JAIQZWGSSA-N	0	0	356.882	4.893	40	30		FJEBRN
CCOc1ccc(N=C2SCCN2CC(=O)c2ccc(C)c(C)c2)cc1	ZINC000096402045	570644183	/nfs/dbraw/zinc/64/41/83/570644183.db2.gz	DLQFHNSYFABCHW-QURGRASLSA-N	0	0	368.502	4.621	40	30		FJEBRN
CC(=O)c1cccc(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000006692851	570651993	/nfs/dbraw/zinc/65/19/93/570651993.db2.gz	PKYNPMBTCPDUOS-OEAKJJBVSA-N	0	0	374.396	4.844	40	30		FJEBRN
COc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1Br	ZINC000006825845	570655201	/nfs/dbraw/zinc/65/52/01/570655201.db2.gz	APFXZCFPAVKBNN-QGMBQPNBSA-N	0	0	354.631	4.876	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1	ZINC000408703819	570656109	/nfs/dbraw/zinc/65/61/09/570656109.db2.gz	YINRVGCMNRHMEC-OAHLLOKOSA-N	0	0	359.853	4.928	40	30		FJEBRN
Cc1ccc(NC(=O)O/N=C(\c2ccccc2)[C@H](O)c2ccccc2)cc1	ZINC000006923061	570656821	/nfs/dbraw/zinc/65/68/21/570656821.db2.gz	SNYCOZNMVPTUMF-KWLPWJRRSA-N	0	0	360.413	4.681	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NCc1cccc(C)c1	ZINC000408707490	570658742	/nfs/dbraw/zinc/65/87/42/570658742.db2.gz	NMDKFPBDODNQFT-UHFFFAOYSA-N	0	0	360.542	4.648	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1	ZINC000408708084	570659179	/nfs/dbraw/zinc/65/91/79/570659179.db2.gz	USYHZYOKOYYDTK-UHFFFAOYSA-N	0	0	360.542	4.683	40	30		FJEBRN
Cc1cccc(NC(=S)N/N=C/c2cccc(C(F)(F)F)c2)c1C	ZINC000003328809	570660882	/nfs/dbraw/zinc/66/08/82/570660882.db2.gz	OHSYJBJVFYSHFF-UFFVCSGVSA-N	0	0	351.397	4.643	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2c1C	ZINC000004849077	570670228	/nfs/dbraw/zinc/67/02/28/570670228.db2.gz	VOLZSUCWWIBFTI-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CC(=O)/C(=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC(C)C	ZINC000005002960	570675111	/nfs/dbraw/zinc/67/51/11/570675111.db2.gz	VXSUPRZVNANTEZ-YBEGLDIGSA-N	0	0	360.494	4.911	40	30		FJEBRN
C/C(=N\NC(=S)Nc1ccccc1F)c1cccc(C(F)(F)F)c1	ZINC000007988317	570675619	/nfs/dbraw/zinc/67/56/19/570675619.db2.gz	PABAZDDUHFHMIU-LSHDLFTRSA-N	0	0	355.360	4.555	40	30		FJEBRN
CN1/C(=C\C(=O)c2ccc(Br)cc2)c2ccccc2CC1(C)C	ZINC000004977251	570676044	/nfs/dbraw/zinc/67/60/44/570676044.db2.gz	AJYRVMDRRGPTNT-PDGQHHTCSA-N	0	0	370.290	4.939	40	30		FJEBRN
COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C)c(OC)c3)nc1-2	ZINC000408723691	570677588	/nfs/dbraw/zinc/67/75/88/570677588.db2.gz	ZYBQLLFXQUZGLQ-UFFVCSGVSA-N	0	0	366.442	4.779	40	30		FJEBRN
COc1ccc2cc(C3=CC(=NNc4ccccc4C)C(=O)O3)ccc2c1	ZINC000408726468	570679910	/nfs/dbraw/zinc/67/99/10/570679910.db2.gz	RUEGSZOIWWPVTE-GFMRDNFCSA-N	0	0	358.397	4.523	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	ZINC000408740742	570687590	/nfs/dbraw/zinc/68/75/90/570687590.db2.gz	MAVGCOWOYIUALZ-BUVRLJJBSA-N	0	0	374.488	4.869	40	30		FJEBRN
O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(O)cc1	ZINC000408749990	570689138	/nfs/dbraw/zinc/68/91/38/570689138.db2.gz	VWCPOSAHRJVDLD-VGOFMYFVSA-N	0	0	365.241	4.591	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1	ZINC000408856927	570692920	/nfs/dbraw/zinc/69/29/20/570692920.db2.gz	IELIVDRROMSRNY-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
CCCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OCC	ZINC000408906761	570696907	/nfs/dbraw/zinc/69/69/07/570696907.db2.gz	KBTXPMNARQWORT-JXMROGBWSA-N	0	0	370.445	4.787	40	30		FJEBRN
Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccnc1	ZINC000408932799	570700709	/nfs/dbraw/zinc/70/07/09/570700709.db2.gz	ZHVNRVZNYOOMCI-MYKKPKGFSA-N	0	0	358.367	4.954	40	30		FJEBRN
COc1cc(C)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1C(C)C	ZINC000408932830	570700740	/nfs/dbraw/zinc/70/07/40/570700740.db2.gz	ZRBVBKJRMUMSRC-HZHRSRAPSA-N	0	0	352.478	4.714	40	30		FJEBRN
CCOC(=O)c1cccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)c1	ZINC000408950850	570702407	/nfs/dbraw/zinc/70/24/07/570702407.db2.gz	HROKHZLCYZNQAW-FSJBWODESA-N	0	0	362.385	4.955	40	30		FJEBRN
CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1	ZINC000408960869	570702947	/nfs/dbraw/zinc/70/29/47/570702947.db2.gz	OZUAVZWMVNZXKQ-YAEVEYJCSA-N	0	0	363.486	4.521	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1Cl	ZINC000408961039	570703408	/nfs/dbraw/zinc/70/34/08/570703408.db2.gz	QDYBNMPIURMQRW-LPYMAVHISA-N	0	0	356.853	4.786	40	30		FJEBRN
CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1	ZINC000408961292	570703708	/nfs/dbraw/zinc/70/37/08/570703708.db2.gz	MILXWSWAHCRKAN-RNEAKCBISA-N	0	0	370.449	4.895	40	30		FJEBRN
CCn1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21	ZINC000408962710	570703761	/nfs/dbraw/zinc/70/37/61/570703761.db2.gz	JMRYKBSIEQREDC-WOJGMQOQSA-N	0	0	365.433	4.692	40	30		FJEBRN
Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1C(C)C	ZINC000408966600	570704137	/nfs/dbraw/zinc/70/41/37/570704137.db2.gz	PLJCYGZUIHLGSG-LICLKQGHSA-N	0	0	357.454	4.717	40	30		FJEBRN
O=C(NCc1ccco1)c1c(/N=C/c2ccsc2)sc2c1CCCC2	ZINC000408988805	570708677	/nfs/dbraw/zinc/70/86/77/570708677.db2.gz	SICDGUGKPCNBIB-UFFVCSGVSA-N	0	0	370.499	4.962	40	30		FJEBRN
CCCCOc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000409010837	570712182	/nfs/dbraw/zinc/71/21/82/570712182.db2.gz	LUODUCPSAGDJRR-HYARGMPZSA-N	0	0	364.405	4.768	40	30		FJEBRN
COC(=O)c1cc(/N=C/c2cccc(OC)c2OC(C)C)ccc1Cl	ZINC000409009346	570712201	/nfs/dbraw/zinc/71/22/01/570712201.db2.gz	DLKHVYQVUSWXHV-SRZZPIQSSA-N	0	0	361.825	4.673	40	30		FJEBRN
CCCOc1ccc2ccccc2c1/C=N\NC(=S)Nc1ccccc1	ZINC000409020510	570714277	/nfs/dbraw/zinc/71/42/77/570714277.db2.gz	QBQDJUYSEINUNZ-JCMHNJIXSA-N	0	0	363.486	4.949	40	30		FJEBRN
COc1ccc2ccccc2c1C=NNC(F)(F)C(F)(F)C(F)(F)F	ZINC000409035361	570715160	/nfs/dbraw/zinc/71/51/60/570715160.db2.gz	SJZMVZFJMXUWKG-LIMNOBDPSA-N	0	0	368.252	4.562	40	30		FJEBRN
Cc1csc(N=NCc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)n1	ZINC000409061411	570717494	/nfs/dbraw/zinc/71/74/94/570717494.db2.gz	WZMIXHXDGXWKPJ-KEBDBYFISA-N	0	0	371.849	4.770	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000409066238	570718671	/nfs/dbraw/zinc/71/86/71/570718671.db2.gz	MMBLOHZGPDEBBC-NVNXTCNLSA-N	0	0	362.212	4.889	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O	ZINC000409075214	570719062	/nfs/dbraw/zinc/71/90/62/570719062.db2.gz	PVELGKOGGYONJH-XDHOZWIPSA-N	0	0	366.486	4.933	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OC	ZINC000409113623	570726206	/nfs/dbraw/zinc/72/62/06/570726206.db2.gz	IAPRRMCAHLCTJI-UHFFFAOYSA-N	0	0	374.278	4.699	40	30		FJEBRN
O=[N+]([O-])c1cccnc1N=NCc1ccc(Sc2ccc(Cl)cc2)o1	ZINC000409108727	570727387	/nfs/dbraw/zinc/72/73/87/570727387.db2.gz	XKFDTNBDMMLLBH-VXLYETTFSA-N	0	0	374.809	4.833	40	30		FJEBRN
C#CCOc1c(Cl)cc(/C=C2/c3ccccc3N(CC)C2=O)cc1Cl	ZINC000409121590	570728523	/nfs/dbraw/zinc/72/85/23/570728523.db2.gz	YQVXAJCHDJFVMA-GDNBJRDFSA-N	0	0	372.251	4.913	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OCC	ZINC000409115788	570729448	/nfs/dbraw/zinc/72/94/48/570729448.db2.gz	KONZSDBZPXFFHF-UHFFFAOYSA-N	0	0	374.278	4.780	40	30		FJEBRN
FC(F)(F)c1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1	ZINC000012375472	570740088	/nfs/dbraw/zinc/74/00/88/570740088.db2.gz	BEKZQSZTOFIQAG-QRVIBDJDSA-N	0	0	367.802	4.515	40	30		FJEBRN
CC(C)(C)[C@H]1CCc2c(C#N)c(N=C3c4ccccc4NC3=O)sc2C1	ZINC000409210063	570740616	/nfs/dbraw/zinc/74/06/16/570740616.db2.gz	HWXDODRSWKMZDS-LBPRGKRZSA-N	0	0	363.486	4.844	40	30		FJEBRN
O=C(C1=C(O)C(=Cc2cccc(Br)c2)CCC1)C(F)(F)F	ZINC000409359865	570753357	/nfs/dbraw/zinc/75/33/57/570753357.db2.gz	NWMAWYRVJJCPEJ-BCBKQYOUSA-N	0	0	361.157	4.960	40	30		FJEBRN
Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(O)c3)c2)cc1C	ZINC000409377351	570755073	/nfs/dbraw/zinc/75/50/73/570755073.db2.gz	GUVQWJFMEMOMQM-OYKKKHCWSA-N	0	0	374.440	4.777	40	30		FJEBRN
CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	ZINC000100242826	570759847	/nfs/dbraw/zinc/75/98/47/570759847.db2.gz	LQXFRXUGLCWRFP-JLPGSUDCSA-N	0	0	374.440	4.853	40	30		FJEBRN
Cc1ccccc1/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1C	ZINC000100500421	570761691	/nfs/dbraw/zinc/76/16/91/570761691.db2.gz	APFOQEXEMMZGJP-KNCPBYNISA-N	0	0	367.499	4.599	40	30		FJEBRN
COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1	ZINC000008811440	570784738	/nfs/dbraw/zinc/78/47/38/570784738.db2.gz	NXCNXYRFLKTORE-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
COc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1	ZINC000008811688	570794545	/nfs/dbraw/zinc/79/45/45/570794545.db2.gz	UBMURIKXJGIFAW-ZVHZXABRSA-N	0	0	367.880	4.880	40	30		FJEBRN
N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccccc1F	ZINC000225889091	570804793	/nfs/dbraw/zinc/80/47/93/570804793.db2.gz	JKGOKCQVCXOZEL-UHFFFAOYSA-N	0	0	357.841	4.934	40	30		FJEBRN
N#Cc1c(N)n(-c2ccccc2Cl)nc1-c1ccc(C(F)(F)F)cc1	ZINC000039955256	570836876	/nfs/dbraw/zinc/83/68/76/570836876.db2.gz	GEZXMLNEMIAOSH-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1	ZINC000014396755	570848279	/nfs/dbraw/zinc/84/82/79/570848279.db2.gz	DCYGMZZZWDQENG-HNNXBMFYSA-N	0	0	359.853	4.928	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1	ZINC000014396754	570848284	/nfs/dbraw/zinc/84/82/84/570848284.db2.gz	DCYGMZZZWDQENG-OAHLLOKOSA-N	0	0	359.853	4.928	40	30		FJEBRN
CCOc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1	ZINC000016684079	570860358	/nfs/dbraw/zinc/86/03/58/570860358.db2.gz	XTATUZNOTNIJRB-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccccc1Cl	ZINC000002679344	570883216	/nfs/dbraw/zinc/88/32/16/570883216.db2.gz	LODWJDZWARIUCK-LSHDLFTRSA-N	0	0	365.845	4.661	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C\C(=O)/N=C(/c1ccccc1)C(F)(F)F	ZINC000003218968	570887514	/nfs/dbraw/zinc/88/75/14/570887514.db2.gz	IIRUENSQVALQOF-JFHXDWPSSA-N	0	0	372.390	4.876	40	30		FJEBRN
CCc1cc(CC)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(CC)c1	ZINC000005318247	570957192	/nfs/dbraw/zinc/95/71/92/570957192.db2.gz	VERNMCIJAKDCTB-UDWIEESQSA-N	0	0	370.409	4.636	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N	ZINC000225762654	571063018	/nfs/dbraw/zinc/06/30/18/571063018.db2.gz	HTBISPZSXLNGJT-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
N#CCc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1	ZINC000225810236	571068910	/nfs/dbraw/zinc/06/89/10/571068910.db2.gz	VHOUQHDMOWYJGM-UHFFFAOYSA-N	0	0	367.493	4.690	40	30		FJEBRN
O=[N+]([O-])c1ccccc1CN=Nc1nnc(-c2ccccc2)c2ccccc21	ZINC000006283240	571071319	/nfs/dbraw/zinc/07/13/19/571071319.db2.gz	YTEYLGGNBSQTHD-HYARGMPZSA-N	0	0	369.384	4.651	40	30		FJEBRN
Cc1ccccc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O	ZINC000408757837	571075357	/nfs/dbraw/zinc/07/53/57/571075357.db2.gz	CZDTXRFYSJMLIR-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1	ZINC000059224288	571087947	/nfs/dbraw/zinc/08/79/47/571087947.db2.gz	FOOGQQAOUXPKDG-YVLHZVERSA-N	0	0	371.893	4.606	40	30		FJEBRN
Cc1sc(N=NCc2c(O)ccc3ccccc32)nc1-c1ccccc1	ZINC000059193840	571088226	/nfs/dbraw/zinc/08/82/26/571088226.db2.gz	OASWRVHNNNMGHW-LPYMAVHISA-N	0	0	359.454	4.845	40	30		FJEBRN
COc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1	ZINC000059249658	571088926	/nfs/dbraw/zinc/08/89/26/571088926.db2.gz	WZWPIQPYEXXSDB-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1C	ZINC000059302321	571090079	/nfs/dbraw/zinc/09/00/79/571090079.db2.gz	GKUCQQBYCFTVQP-ZHZULCJRSA-N	0	0	373.481	4.986	40	30		FJEBRN
NC(=O)c1c(/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2	ZINC000059720344	571092779	/nfs/dbraw/zinc/09/27/79/571092779.db2.gz	WAMMIDDIJPEGJH-DNTJNYDQSA-N	0	0	353.274	4.783	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC[C@H](C)C1	ZINC000260818224	571124122	/nfs/dbraw/zinc/12/41/22/571124122.db2.gz	YCOZRJIXAJZZCC-GCKMJXCFSA-N	0	0	358.482	4.659	40	30		FJEBRN
Cn1cc(-c2ccc(CCO[C@H]3CCCCO3)cc2)c2c1cccc2C#N	ZINC000001648890	571161809	/nfs/dbraw/zinc/16/18/09/571161809.db2.gz	JTXWFGCXVHYEDK-QFIPXVFZSA-N	0	0	360.457	4.803	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCSCc2cccc(C)c2)c1	ZINC000219779156	571174889	/nfs/dbraw/zinc/17/48/89/571174889.db2.gz	SUAAAPFZSMGRGN-UHFFFAOYSA-N	0	0	355.503	4.613	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1	ZINC000219777408	571175006	/nfs/dbraw/zinc/17/50/06/571175006.db2.gz	XGIFKOYRAHIKMA-UHFFFAOYSA-N	0	0	361.894	4.817	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1Cl	ZINC000219807302	571175221	/nfs/dbraw/zinc/17/52/21/571175221.db2.gz	VUCSGKJKZAUGLX-UHFFFAOYSA-N	0	0	361.850	4.657	40	30		FJEBRN
Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccccc1	ZINC000072228575	571177971	/nfs/dbraw/zinc/17/79/71/571177971.db2.gz	DNLFFJKFMXRITO-UHFFFAOYSA-N	0	0	352.463	4.973	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)COc1ccc(Br)cc1	ZINC000072265784	571178433	/nfs/dbraw/zinc/17/84/33/571178433.db2.gz	UNAMITOBDAYPBG-UHFFFAOYSA-N	0	0	355.047	4.661	40	30		FJEBRN
C[C@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccccc3)sc2C1	ZINC000001771090	571192706	/nfs/dbraw/zinc/19/27/06/571192706.db2.gz	XVWGXAYRXDSQGS-AWEZNQCLSA-N	0	0	354.475	4.542	40	30		FJEBRN
Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000001959859	571202960	/nfs/dbraw/zinc/20/29/60/571202960.db2.gz	ZNYDQWSNNVXUIR-NSHDSACASA-N	0	0	374.893	4.724	40	30		FJEBRN
COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N	ZINC000225798832	571203898	/nfs/dbraw/zinc/20/38/98/571203898.db2.gz	VVIIPRQXULROHE-UHFFFAOYSA-N	0	0	360.498	4.761	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(Cl)c2Cl)cc1	ZINC000253617016	571291927	/nfs/dbraw/zinc/29/19/27/571291927.db2.gz	XBYUOPYNKSCEAM-UHFFFAOYSA-N	0	0	363.273	4.731	40	30		FJEBRN
Cc1ccc(C2N=NC(=S)N2N=Cc2c(Cl)cccc2Cl)cc1	ZINC000253616972	571291952	/nfs/dbraw/zinc/29/19/52/571291952.db2.gz	JFJAJMZKUPRYET-UHFFFAOYSA-N	0	0	363.273	4.731	40	30		FJEBRN
O=[N+]([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1	ZINC000005680128	571295019	/nfs/dbraw/zinc/29/50/19/571295019.db2.gz	DKKWXSMPKSCOST-YBFXNURJSA-N	0	0	364.386	4.911	40	30		FJEBRN
CCN1C(=O)/C(=N/c2cccc(Cl)c2)c2cc(Br)ccc21	ZINC000006496966	571296661	/nfs/dbraw/zinc/29/66/61/571296661.db2.gz	YMPGZAIYDJAHAS-XDJHFCHBSA-N	0	0	363.642	4.590	40	30		FJEBRN
CCOc1ccc(/N=C/c2cc(Br)c(O)c(OCC)c2)cc1	ZINC000006962100	571297998	/nfs/dbraw/zinc/29/79/98/571297998.db2.gz	UKMSGVKRVFJWCY-YBFXNURJSA-N	0	0	364.239	4.703	40	30		FJEBRN
COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000008113561	571300394	/nfs/dbraw/zinc/30/03/94/571300394.db2.gz	BRZLJQRBAICIKT-HYARGMPZSA-N	0	0	362.385	4.933	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC	ZINC000008368484	571301004	/nfs/dbraw/zinc/30/10/04/571301004.db2.gz	BFETZESBFMRBLZ-CIAFOILYSA-N	0	0	372.262	4.837	40	30		FJEBRN
Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000008371957	571301243	/nfs/dbraw/zinc/30/12/43/571301243.db2.gz	BJEJLVLPVOMYKK-RCCKNPSSSA-N	0	0	351.427	4.513	40	30		FJEBRN
Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000008570915	571302050	/nfs/dbraw/zinc/30/20/50/571302050.db2.gz	ZUNHLPFRHPPAGL-RCCKNPSSSA-N	0	0	351.427	4.513	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c([N+](=O)[O-])c1	ZINC000008811463	571302152	/nfs/dbraw/zinc/30/21/52/571302152.db2.gz	YLGGFRSNVKNLAC-WSDLNYQXSA-N	0	0	369.808	4.940	40	30		FJEBRN
CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCC	ZINC000010119107	571302818	/nfs/dbraw/zinc/30/28/18/571302818.db2.gz	VMVKJVYCJVCUIT-WSDLNYQXSA-N	0	0	367.276	4.915	40	30		FJEBRN
Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1C	ZINC000028217513	571305306	/nfs/dbraw/zinc/30/53/06/571305306.db2.gz	BZVDHLQKMXMEJS-HYARGMPZSA-N	0	0	362.502	4.723	40	30		FJEBRN
Cc1nc(N)c(C#N)c(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000035342901	571306095	/nfs/dbraw/zinc/30/60/95/571306095.db2.gz	YQRUWJIWPKOSTG-UHFFFAOYSA-N	0	0	364.246	4.940	40	30		FJEBRN
CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(C#N)cc2)n1	ZINC000115033087	571307138	/nfs/dbraw/zinc/30/71/38/571307138.db2.gz	NXUWACVXAWJMER-UHFFFAOYSA-N	0	0	360.417	4.652	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1	ZINC000008362899	571310466	/nfs/dbraw/zinc/31/04/66/571310466.db2.gz	MIWRKRRUOIYDPH-BIXZQSIESA-N	0	0	352.459	4.628	40	30		FJEBRN
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000033762658	571310598	/nfs/dbraw/zinc/31/05/98/571310598.db2.gz	WTMPQEAKKSCJMR-GFCCVEGCSA-N	0	0	370.832	4.989	40	30		FJEBRN
COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1C	ZINC000038361154	571310758	/nfs/dbraw/zinc/31/07/58/571310758.db2.gz	RDBBZVPBMJHYRM-KDWIEBRMSA-N	0	0	352.459	4.546	40	30		FJEBRN
COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c(C)c1	ZINC000038361155	571310808	/nfs/dbraw/zinc/31/08/08/571310808.db2.gz	RWWAHZXGZBWTTQ-KDWIEBRMSA-N	0	0	352.459	4.546	40	30		FJEBRN
COc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1Cl	ZINC000139862490	571311121	/nfs/dbraw/zinc/31/11/21/571311121.db2.gz	BABMIQFKUYNANV-HYARGMPZSA-N	0	0	353.853	4.956	40	30		FJEBRN
N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000409174321	571319503	/nfs/dbraw/zinc/31/95/03/571319503.db2.gz	RXHUAXGNCDWLBB-VIZOYTHASA-N	0	0	374.849	4.757	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225833287	571338534	/nfs/dbraw/zinc/33/85/34/571338534.db2.gz	PHFDMQYKMAROEU-IIBYNOLFSA-N	0	0	358.482	4.517	40	30		FJEBRN
CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCC(C)CC1	ZINC000225834972	571338553	/nfs/dbraw/zinc/33/85/53/571338553.db2.gz	PZMXNGUKNNSLDX-ZGOJQLDESA-N	0	0	358.482	4.659	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1	ZINC000225833082	571338557	/nfs/dbraw/zinc/33/85/57/571338557.db2.gz	RAGUOKGYJPPTLW-IIBYNOLFSA-N	0	0	358.482	4.661	40	30		FJEBRN
N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1Cc1cccc2ccccc21	ZINC000225840385	571338567	/nfs/dbraw/zinc/33/85/67/571338567.db2.gz	AVXMDPPJYSRCTP-UHFFFAOYSA-N	0	0	372.859	4.783	40	30		FJEBRN
CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225846891	571338708	/nfs/dbraw/zinc/33/87/08/571338708.db2.gz	XSJCFTRHYGRLOC-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCCCCC1	ZINC000225852833	571338717	/nfs/dbraw/zinc/33/87/17/571338717.db2.gz	USGCSDPKHXAWJF-UHFFFAOYSA-N	0	0	358.482	4.804	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCC[C@H](C)C1	ZINC000225854857	571338769	/nfs/dbraw/zinc/33/87/69/571338769.db2.gz	UDOLYPKJVXFNHL-JTSKRJEESA-N	0	0	372.509	4.907	40	30		FJEBRN
CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C#N	ZINC000225854550	571338770	/nfs/dbraw/zinc/33/87/70/571338770.db2.gz	KNLIGNCYDBPPJJ-IIBYNOLFSA-N	0	0	358.482	4.661	40	30		FJEBRN
Cc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1	ZINC000225862204	571338863	/nfs/dbraw/zinc/33/88/63/571338863.db2.gz	GCZCZWBRTBFELN-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN
Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1	ZINC000002751324	571340747	/nfs/dbraw/zinc/34/07/47/571340747.db2.gz	STVOMCWNIPLTRO-UHFFFAOYSA-N	0	0	365.396	4.573	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(C)c1	ZINC000004124981	571355797	/nfs/dbraw/zinc/35/57/97/571355797.db2.gz	DXWPSNAKDJGBJV-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1	ZINC000219788966	222708042	/nfs/dbraw/zinc/70/80/42/222708042.db2.gz	HWVHXNLDSJGAKY-LJQANCHMSA-N	0	0	351.446	4.674	40	30		FJEBRN
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000000538605	219305277	/nfs/dbraw/zinc/30/52/77/219305277.db2.gz	GACKBTMUYYITHY-VEMZIQOSSA-N	0	0	362.485	4.788	40	30		FJEBRN
CCc1ccccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N	ZINC000000832527	219329003	/nfs/dbraw/zinc/32/90/03/219329003.db2.gz	HNXKAAFUNINNFN-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc12	ZINC000000933894	219342723	/nfs/dbraw/zinc/34/27/23/219342723.db2.gz	QMVKRTIINCIVPF-KSSFIOAISA-N	0	0	367.518	4.510	40	30		FJEBRN
O=C(/C=C/c1ccco1)C(C(=O)c1ccccc1)=C1SCCCS1	ZINC000001083790	219366530	/nfs/dbraw/zinc/36/65/30/219366530.db2.gz	KFDJCYSFYPKHDS-MDZDMXLPSA-N	0	0	356.468	4.827	40	30		FJEBRN
C=C(Br)Cn1c(COc2ccc(OC)cc2)nc2ccccc21	ZINC000001470590	219408611	/nfs/dbraw/zinc/40/86/11/219408611.db2.gz	AIDBYGDOCYGMRJ-UHFFFAOYSA-N	0	0	373.250	4.533	40	30		FJEBRN
Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2	ZINC000225673657	222858942	/nfs/dbraw/zinc/85/89/42/222858942.db2.gz	PZHGGGKGUOCSHI-SFHVURJKSA-N	0	0	365.502	4.650	40	30		FJEBRN
CC(C)c1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1	ZINC000004848974	219613072	/nfs/dbraw/zinc/61/30/72/219613072.db2.gz	INYMBNQRFYYRHW-OAHLLOKOSA-N	0	0	367.518	4.580	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1	ZINC000004848964	219613133	/nfs/dbraw/zinc/61/31/33/219613133.db2.gz	OWAYUNFGRURPIO-UHFFFAOYSA-N	0	0	362.454	4.504	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)c3ccc(OC)cc3)c(C#N)cc2c1	ZINC000004848967	219613977	/nfs/dbraw/zinc/61/39/77/219613977.db2.gz	JYYYHJIRRPKFRM-UHFFFAOYSA-N	0	0	362.454	4.652	40	30		FJEBRN
CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1	ZINC000208864380	209593625	/nfs/dbraw/zinc/59/36/25/209593625.db2.gz	DPFZUGQDEVCBFP-CXUHLZMHSA-N	0	0	371.820	4.634	40	30		FJEBRN
Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2)cc1	ZINC000005218154	219661528	/nfs/dbraw/zinc/66/15/28/219661528.db2.gz	LZGAEDSSYGTHLW-UHFFFAOYSA-N	0	0	350.528	4.934	40	30		FJEBRN
CC(C)(C)C1=CC(=CC=C2C=CN(CCO)C=C2)C=C(C(C)(C)C)C1=O	ZINC000005713647	219695834	/nfs/dbraw/zinc/69/58/34/219695834.db2.gz	JRCBAUJFICXBNQ-UHFFFAOYSA-N	0	0	353.506	4.702	40	30		FJEBRN
O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccc(Br)cc1	ZINC000000829821	209378011	/nfs/dbraw/zinc/37/80/11/209378011.db2.gz	IOCAMIITEFOELM-RQZCQDPDSA-N	0	0	353.603	4.685	40	30		FJEBRN
COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\C=C/[NH+](C)C)C(=O)[C@]3(C)CC[C@H]21	ZINC000104227341	209260170	/nfs/dbraw/zinc/26/01/70/209260170.db2.gz	OZHKGIPTPIFKOA-RQCVDWHFSA-N	0	0	365.517	4.732	40	30		FJEBRN
O/N=C1C(=C\c2ccc(F)cc2)\CCC[C@@H]\1[C@H](NO)c1ccc(F)cc1	ZINC000104283667	209259546	/nfs/dbraw/zinc/25/95/46/209259546.db2.gz	UXDMUBQZCGHXNL-GVXLXYNESA-N	0	0	358.388	4.699	40	30		FJEBRN
O=[N+]([O-])c1ccc(N=NC2=C(Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1	ZINC000104183167	209259350	/nfs/dbraw/zinc/25/93/50/209259350.db2.gz	NYAUQRQETLBWBV-PZBFFVFSSA-N	0	0	366.377	4.929	40	30		FJEBRN
C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=N/O)C(=O)[C@]3(C)CC[C@H]21	ZINC000100132786	209209534	/nfs/dbraw/zinc/20/95/34/209209534.db2.gz	YQICTZDGXWUAOK-GGQOFQNBSA-N	0	0	353.462	4.507	40	30	in-vitro	FJEBRN
CC(=NOC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000016137246	220178857	/nfs/dbraw/zinc/17/88/57/220178857.db2.gz	LMTPCDXCUKYBBO-KEBDBYFISA-N	0	0	351.189	4.801	40	30		FJEBRN
O=C(/C=C/Oc1cccc2cccnc21)c1ccc(Br)cc1	ZINC000016448786	220185777	/nfs/dbraw/zinc/18/57/77/220185777.db2.gz	YUDSFJKPURVFQM-ZRDIBKRKSA-N	0	0	354.203	4.773	40	30		FJEBRN
C#CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000216895211	206750735	/nfs/dbraw/zinc/75/07/35/206750735.db2.gz	JWMWYZZQBBWQJX-RMKNXTFCSA-N	0	0	361.224	4.762	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCSCc1ccccc1C	ZINC000219802975	206760066	/nfs/dbraw/zinc/76/00/66/206760066.db2.gz	DGYJODPKRBDWDZ-UHFFFAOYSA-N	0	0	357.544	4.936	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCSCc1ccccc1F	ZINC000219812123	206760981	/nfs/dbraw/zinc/76/09/81/206760981.db2.gz	UCVXHARUVPRZNM-UHFFFAOYSA-N	0	0	361.507	4.767	40	30		FJEBRN
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004217688	207007327	/nfs/dbraw/zinc/00/73/27/207007327.db2.gz	GACKBTMUYYITHY-XMWFLPSHSA-N	0	0	362.485	4.788	40	30	in-vitro	FJEBRN
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000004792463	207050341	/nfs/dbraw/zinc/05/03/41/207050341.db2.gz	DKDMFHJMQAAUII-UNIYACPOSA-N	0	0	362.485	4.788	40	30	in-vitro	FJEBRN
Cc1ccc(/N=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1	ZINC000005542526	207105151	/nfs/dbraw/zinc/10/51/51/207105151.db2.gz	XBEGKMBQJCSNCI-ZNDCZADKSA-N	0	0	361.195	4.787	40	30		FJEBRN
CCOc1ccc(Br)c(/C=N/c2cc(Cl)ccc2O)c1O	ZINC000005673358	207112521	/nfs/dbraw/zinc/11/25/21/207112521.db2.gz	YRAWSHVCKWKDIV-QGMBQPNBSA-N	0	0	370.630	4.663	40	30		FJEBRN
Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)c(Cl)c1	ZINC000006548955	207144752	/nfs/dbraw/zinc/14/47/52/207144752.db2.gz	MWPUKIUHLHEXGV-OEAKJJBVSA-N	0	0	366.848	4.786	40	30		FJEBRN
Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)o1	ZINC000008550940	207236546	/nfs/dbraw/zinc/23/65/46/207236546.db2.gz	QTEDINBOUXQGMN-NTUHNPAUSA-N	0	0	353.230	4.786	40	30		FJEBRN
CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC	ZINC000009195359	207260588	/nfs/dbraw/zinc/26/05/88/207260588.db2.gz	CGAATCOAXHBITQ-SRZZPIQSSA-N	0	0	367.276	4.915	40	30		FJEBRN
CCCOc1cccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1	ZINC000020797238	207755212	/nfs/dbraw/zinc/75/52/12/207755212.db2.gz	NMVLMAWALBDUJZ-OAQYLSRUSA-N	0	0	361.445	4.703	40	30		FJEBRN
O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2	ZINC000020026288	220308756	/nfs/dbraw/zinc/30/87/56/220308756.db2.gz	IZIIKVWJLVKTJP-UHFFFAOYSA-N	0	0	362.256	4.694	40	30		FJEBRN
CCCCCCCCNC(=S)N1CCN(c2cccc(C)c2C)CC1	ZINC000100339603	132232431	/nfs/dbraw/zinc/23/24/31/132232431.db2.gz	LIJXYZAWNNEJSL-UHFFFAOYSA-N	0	0	361.599	4.660	40	30		FJEBRN
C/C(=C\N1CCN(c2ccc(Cl)cc2)[C@H](C)C1)C(=O)c1ccccc1	ZINC000017064251	132883873	/nfs/dbraw/zinc/88/38/73/132883873.db2.gz	ARDCRVXWCKCOQA-FYPAKXHLSA-N	0	0	354.881	4.637	40	30		FJEBRN
C=C(C)COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=N/O)C(=O)[C@]3(C)CC[C@H]21	ZINC000100132781	222236386	/nfs/dbraw/zinc/23/63/86/222236386.db2.gz	YQICTZDGXWUAOK-JRNVNWNJSA-N	0	0	353.462	4.507	40	30	in-vitro	FJEBRN
C/C(=N\CCCC/N=C(/C)c1cc(C)ccc1O)c1cc(C)ccc1O	ZINC000104234047	222353131	/nfs/dbraw/zinc/35/31/31/222353131.db2.gz	JKCRBGNKFQPQJE-QFFDILLMSA-N	0	0	352.478	4.813	40	30		FJEBRN
COc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)c1OC	ZINC000007449757	263351139	/nfs/dbraw/zinc/35/11/39/263351139.db2.gz	JINXGGQCVZSRLH-OAQYLSRUSA-N	0	0	367.470	4.970	40	30		FJEBRN
O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)Sc1ccccc1N2	ZINC000007449661	263351239	/nfs/dbraw/zinc/35/12/39/263351239.db2.gz	SZJNLCJJLAOXLU-HXUWFJFHSA-N	0	0	351.427	4.681	40	30		FJEBRN
O=C(OCc1ccccc1)C(Cl)N=Nc1c(Cl)cccc1Cl	ZINC000100505651	263435845	/nfs/dbraw/zinc/43/58/45/263435845.db2.gz	SPPGEAMDTWOCQZ-XSFVSMFZSA-N	0	0	357.624	4.701	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2ccccc2)n1CC	ZINC000408560141	263471590	/nfs/dbraw/zinc/47/15/90/263471590.db2.gz	CDIXWXNWRCINEP-UHFFFAOYSA-N	0	0	360.527	4.542	40	30		FJEBRN
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC1=S	ZINC000408601193	263478910	/nfs/dbraw/zinc/47/89/10/263478910.db2.gz	IYAFGVNLXVBQIK-DHDCSXOGSA-N	0	0	363.410	4.612	40	30		FJEBRN
COc1ccc(OC)c(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1	ZINC000408722494	263491194	/nfs/dbraw/zinc/49/11/94/263491194.db2.gz	JNANFTAWGJKFCX-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
COc1ccc([C@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)cc1	ZINC000408731669	263492058	/nfs/dbraw/zinc/49/20/58/263492058.db2.gz	OREGCAQTEVYWQN-HXUWFJFHSA-N	0	0	366.486	4.839	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)c1	ZINC000408738541	263493980	/nfs/dbraw/zinc/49/39/80/263493980.db2.gz	LSPGYUXNIRXELZ-YVLHZVERSA-N	0	0	372.877	4.857	40	30		FJEBRN
O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NC1CCCCC1	ZINC000408804380	263496486	/nfs/dbraw/zinc/49/64/86/263496486.db2.gz	FECZKLAPWSXKOO-UCQKPKSFSA-N	0	0	370.880	4.918	40	30		FJEBRN
CCOc1ccc(/C=N\c2cccc(C)c2)cc1I	ZINC000408905145	263505730	/nfs/dbraw/zinc/50/57/30/263505730.db2.gz	UIUFPAHJSMAIMU-WQRHYEAKSA-N	0	0	365.214	4.749	40	30		FJEBRN
S=C(N/N=C\c1ccc(Sc2ccccc2)o1)Nc1ccccc1	ZINC000409001457	263516745	/nfs/dbraw/zinc/51/67/45/263516745.db2.gz	VZUPMRRUMZOHTQ-UYRXBGFRSA-N	0	0	353.472	4.751	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(Cl)cccc1Cl	ZINC000409037106	263518892	/nfs/dbraw/zinc/51/88/92/263518892.db2.gz	SKZZCZFXDNUAQB-LRNAUUFOSA-N	0	0	357.056	4.707	40	30		FJEBRN
C=CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1	ZINC000409124034	263531063	/nfs/dbraw/zinc/53/10/63/263531063.db2.gz	IUPCQNZYWQOFFA-QGOAFFKASA-N	0	0	357.475	4.868	40	30		FJEBRN
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccccc3)c2)cc1	ZINC000409199902	263541172	/nfs/dbraw/zinc/54/11/72/263541172.db2.gz	FMDMERIIMGEFNL-QNGOZBTKSA-N	0	0	351.427	4.513	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC	ZINC000409215065	263542551	/nfs/dbraw/zinc/54/25/51/263542551.db2.gz	ZLIDTZDQTWLSDB-CIAFOILYSA-N	0	0	372.262	4.837	40	30		FJEBRN
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1	ZINC000409236925	263545678	/nfs/dbraw/zinc/54/56/78/263545678.db2.gz	IDCNTSVOLCFHKS-MTJSOVHGSA-N	0	0	365.260	4.589	40	30		FJEBRN
C/C(CC(=O)c1ccccc1)=N/CCC/N=C(/C)CC(=O)c1ccccc1	ZINC000005502767	518474258	/nfs/dbraw/zinc/47/42/58/518474258.db2.gz	FQQYERHFBVGNBV-GJEUYDLNSA-N	0	0	362.473	4.844	40	30		FJEBRN
C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225043800	518803165	/nfs/dbraw/zinc/80/31/65/518803165.db2.gz	XIAVSHLZIUSRRE-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224927434	518804058	/nfs/dbraw/zinc/80/40/58/518804058.db2.gz	NUQZHQRPYMUBJH-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224634777	518809067	/nfs/dbraw/zinc/80/90/67/518809067.db2.gz	KAEXQBDDCOEKHR-UHFFFAOYSA-N	0	0	359.491	4.508	40	30		FJEBRN
C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(SC)cc1	ZINC000224983576	518811875	/nfs/dbraw/zinc/81/18/75/518811875.db2.gz	PQBHGYXKSCOEEU-UHFFFAOYSA-N	0	0	367.923	4.752	40	30		FJEBRN
C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224708916	518813125	/nfs/dbraw/zinc/81/31/25/518813125.db2.gz	JWXTVGJVDOYVPI-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000224700370	518813799	/nfs/dbraw/zinc/81/37/99/518813799.db2.gz	OZEPMSZISOMTOP-UHFFFAOYSA-N	0	0	371.502	4.698	40	30		FJEBRN
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000225067187	519037422	/nfs/dbraw/zinc/03/74/22/519037422.db2.gz	ZZJCUQAAUCMIRB-UHFFFAOYSA-N	0	0	367.470	4.620	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1	ZINC000225338891	519040967	/nfs/dbraw/zinc/04/09/67/519040967.db2.gz	ADFOMWIXQVRSHO-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCc1ccc(N(CC)CC)cc1	ZINC000224548384	519077347	/nfs/dbraw/zinc/07/73/47/519077347.db2.gz	DWGDDICAHKQPBU-UHFFFAOYSA-N	0	0	354.519	4.741	40	30		FJEBRN
CCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1	ZINC000017044872	519861040	/nfs/dbraw/zinc/86/10/40/519861040.db2.gz	YOYNMFXOWHXUMO-JJELPODNSA-N	0	0	354.366	4.784	40	30		FJEBRN
CC/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)N1CC	ZINC000223525288	520207161	/nfs/dbraw/zinc/20/71/61/520207161.db2.gz	ZCRNAASCXGTHRQ-BRMCPTFGSA-N	0	0	371.550	4.721	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O	ZINC000208228146	534846126	/nfs/dbraw/zinc/84/61/26/534846126.db2.gz	HSGFPHJSLTXJTG-DZBQEORWSA-N	0	0	370.518	4.939	40	30		FJEBRN
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccc[nH]1)C2=O	ZINC000238950307	525349574	/nfs/dbraw/zinc/34/95/74/525349574.db2.gz	XQGICSGOYOKZIM-BINNAEOASA-N	0	0	351.534	6.010	40	30		FJEBRN
O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Cl)cc1Cl	ZINC000005584458	526413069	/nfs/dbraw/zinc/41/30/69/526413069.db2.gz	HYQCGMQYLCLNGC-PTGBLXJZSA-N	0	0	371.223	4.998	40	30		FJEBRN
O=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1	ZINC000004426940	527650923	/nfs/dbraw/zinc/65/09/23/527650923.db2.gz	BMGFKTVUCXVHQX-CCEZHUSRSA-N	0	0	354.409	4.686	40	30		FJEBRN
FC(F)(F)C(/C=C/I)(C(F)(F)F)C(F)(F)F	ZINC000095682195	570470963	/nfs/dbraw/zinc/47/09/63/570470963.db2.gz	CYOXXWXEWWBMQR-OWOJBTEDSA-N	0	0	371.968	4.608	40	30		FJEBRN
C/C(=C/N1CCN(c2ccc(Cl)cc2)[C@@H](C)C1)C(=O)c1ccccc1	ZINC000001562740	570501935	/nfs/dbraw/zinc/50/19/35/570501935.db2.gz	ARDCRVXWCKCOQA-WAIALKQBSA-N	0	0	354.881	4.637	40	30		FJEBRN
O=C1c2ccccc2C(=O)C(Sc2nc3ccccc3s2)=C1Cl	ZINC000001576757	570502205	/nfs/dbraw/zinc/50/22/05/570502205.db2.gz	WJEAICBYVLRPDS-UHFFFAOYSA-N	0	0	357.843	4.918	40	30		FJEBRN
COc1ccc(OC)c(C(=O)C2=C(c3cc(OC)ccc3OC)CCC2)c1	ZINC000001755207	570506601	/nfs/dbraw/zinc/50/66/01/570506601.db2.gz	SQJGBVPQYOCLAE-UHFFFAOYSA-N	0	0	368.429	4.541	40	30		FJEBRN
N#Cc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1	ZINC000014132322	570517156	/nfs/dbraw/zinc/51/71/56/570517156.db2.gz	BURPLJWCIWSJAX-UDWIEESQSA-N	0	0	370.433	4.948	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C#N)cc2c1	ZINC000004848917	570533996	/nfs/dbraw/zinc/53/39/96/570533996.db2.gz	JXWICMVUKYYLNE-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C#N)cc2c1	ZINC000004848965	570534901	/nfs/dbraw/zinc/53/49/01/570534901.db2.gz	VUXCIYJOQYOZSJ-UHFFFAOYSA-N	0	0	350.418	4.783	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc2c1	ZINC000004849181	570535794	/nfs/dbraw/zinc/53/57/94/570535794.db2.gz	MILHJYYKQDGODH-KDOFPFPSSA-N	0	0	367.518	4.510	40	30		FJEBRN
C#CCn1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21	ZINC000408556589	570553549	/nfs/dbraw/zinc/55/35/49/570553549.db2.gz	KSANDUCNHKWAMH-HXUWFJFHSA-N	0	0	366.873	4.707	40	30		FJEBRN
CCCCCCCc1nnc(SCC(=O)Nc2ccccc2C)n1CC	ZINC000408559669	570554393	/nfs/dbraw/zinc/55/43/93/570554393.db2.gz	AUVKWZRERQPAQA-UHFFFAOYSA-N	0	0	374.554	4.850	40	30		FJEBRN
CC[C@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408593349	570575216	/nfs/dbraw/zinc/57/52/16/570575216.db2.gz	PILLANHITZUZCH-HSWQHBDASA-N	0	0	362.813	4.976	40	30		FJEBRN
COc1cccc(-n2c(C)cc(/C=N\OCc3ccccc3C#N)c2C)c1	ZINC000408597164	570577177	/nfs/dbraw/zinc/57/71/77/570577177.db2.gz	XTOJCKMFRULXOJ-OYKKKHCWSA-N	0	0	359.429	4.525	40	30		FJEBRN
COc1c(F)c(F)c(C(=O)Nc2ccccc2C(F)(F)F)c(F)c1F	ZINC000408619218	570583573	/nfs/dbraw/zinc/58/35/73/570583573.db2.gz	AAABZOFQAZXJMW-UHFFFAOYSA-N	0	0	367.220	4.523	40	30		FJEBRN
C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(SC)cc1	ZINC000224988396	570599215	/nfs/dbraw/zinc/59/92/15/570599215.db2.gz	TYCPVBBLGJXWNX-UHFFFAOYSA-N	0	0	361.532	4.715	40	30		FJEBRN
C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(SC)cc1	ZINC000224984277	570599668	/nfs/dbraw/zinc/59/96/68/570599668.db2.gz	LITWMQBXYAOWAS-UHFFFAOYSA-N	0	0	367.923	4.752	40	30		FJEBRN
Cc1cc(CN=Nc2nc(C)cc(C)n2)c(C)n1-c1cccc(Cl)c1	ZINC000408758535	570603914	/nfs/dbraw/zinc/60/39/14/570603914.db2.gz	LZEGNOFTUIKNLF-NHDPSOOVSA-N	0	0	353.857	4.600	40	30		FJEBRN
CCOc1ccc(N2[C@@H](c3ccccc3O)Oc3ccccc3[C@H]2C#N)cc1	ZINC000005011972	570617885	/nfs/dbraw/zinc/61/78/85/570617885.db2.gz	MCWQQRGTBXLSTJ-NFBKMPQASA-N	0	0	372.424	4.953	40	30		FJEBRN
CCOC(=O)/C(C(C)=O)=C1/SC=C(c2ccccc2)N1c1ccccc1	ZINC000005322318	570623587	/nfs/dbraw/zinc/62/35/87/570623587.db2.gz	DTNCHHVUIWDLCJ-FMQUCBEESA-N	0	0	365.454	4.602	40	30		FJEBRN
CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1	ZINC000005376321	570625577	/nfs/dbraw/zinc/62/55/77/570625577.db2.gz	FRUFXBNYLDUSGS-AQTBWJFISA-N	0	0	352.459	4.626	40	30		FJEBRN
COc1ccccc1/C=C1\S/C(=N\c2ccc3ccccc3c2)NC1=O	ZINC000005376409	570625605	/nfs/dbraw/zinc/62/56/05/570625605.db2.gz	IILUDAIYJIFEBA-UYRXBGFRSA-N	0	0	360.438	4.740	40	30		FJEBRN
COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)ccc1O	ZINC000001441353	570653022	/nfs/dbraw/zinc/65/30/22/570653022.db2.gz	SYECSNXUWPMESD-OAQYLSRUSA-N	0	0	372.424	4.514	40	30		FJEBRN
O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(F)cc1	ZINC000006926315	570657381	/nfs/dbraw/zinc/65/73/81/570657381.db2.gz	STRXSZRBGBDSNG-SDNWHVSQSA-N	0	0	362.360	4.857	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1	ZINC000004848937	570670236	/nfs/dbraw/zinc/67/02/36/570670236.db2.gz	DARRLPUYRLRRIT-UHFFFAOYSA-N	0	0	365.433	4.539	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1C	ZINC000004849114	570670256	/nfs/dbraw/zinc/67/02/56/570670256.db2.gz	VHVYAOYXVGMZTR-KSSFIOAISA-N	0	0	367.518	4.510	40	30		FJEBRN
COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000008116621	570677267	/nfs/dbraw/zinc/67/72/67/570677267.db2.gz	MKSNEUUIVAEIMN-HYARGMPZSA-N	0	0	362.385	4.933	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OC)S2)cc1	ZINC000408765739	570680621	/nfs/dbraw/zinc/68/06/21/570680621.db2.gz	XMORLCBAGWWZSX-BOPFTXTBSA-N	0	0	372.877	4.803	40	30		FJEBRN
Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)o1	ZINC000008550937	570683448	/nfs/dbraw/zinc/68/34/48/570683448.db2.gz	UZCXPOABGDAQFH-NTUHNPAUSA-N	0	0	353.230	4.786	40	30		FJEBRN
COc1ccc(/C=C2/SC(=Nc3ccccc3C)NC2=O)cc1Cl	ZINC000408771855	570685537	/nfs/dbraw/zinc/68/55/37/570685537.db2.gz	ISMDUKVQDRZQEC-MHWRWJLKSA-N	0	0	358.850	4.549	40	30		FJEBRN
Cc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)o1	ZINC000035646951	570686285	/nfs/dbraw/zinc/68/62/85/570686285.db2.gz	XOQDJGCORUIDDD-GHXNOFRVSA-N	0	0	353.230	4.786	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c(C)c1	ZINC000408780241	570686787	/nfs/dbraw/zinc/68/67/87/570686787.db2.gz	AAEPXHLJEMFVAE-SXGWCWSVSA-N	0	0	358.850	4.554	40	30		FJEBRN
Cc1ccc(C)n1-c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000408741103	570687669	/nfs/dbraw/zinc/68/76/69/570687669.db2.gz	NYJHXLAVRRMBJC-NMWDDECMSA-N	0	0	370.456	4.835	40	30		FJEBRN
CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)o1	ZINC000408815445	570689124	/nfs/dbraw/zinc/68/91/24/570689124.db2.gz	HRPXTTAOGSNKAM-ATVHPVEESA-N	0	0	369.490	4.634	40	30		FJEBRN
CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N1CC	ZINC000408845410	570691578	/nfs/dbraw/zinc/69/15/78/570691578.db2.gz	GSKICTORKXZIKG-CXDOZEDNSA-N	0	0	371.481	4.545	40	30		FJEBRN
Cc1c(/C=N/c2ccccc2I)c2ccccc2n1C	ZINC000408850748	570692489	/nfs/dbraw/zinc/69/24/89/570692489.db2.gz	DQMUIBOOTVYIPX-YBFXNURJSA-N	0	0	374.225	4.842	40	30		FJEBRN
COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1C	ZINC000408868136	570693739	/nfs/dbraw/zinc/69/37/39/570693739.db2.gz	LONXVLHUMVHCDT-YVLHZVERSA-N	0	0	372.877	4.857	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-]	ZINC000408913933	570698806	/nfs/dbraw/zinc/69/88/06/570698806.db2.gz	WCPRIVADQKOIAS-KEBDBYFISA-N	0	0	350.330	4.643	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1	ZINC000408916209	570699164	/nfs/dbraw/zinc/69/91/64/570699164.db2.gz	WBESMUYUCXXKBR-BIXZQSIESA-N	0	0	352.459	4.715	40	30		FJEBRN
CC(=O)c1ccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)cc1	ZINC000408931907	570699917	/nfs/dbraw/zinc/69/99/17/570699917.db2.gz	RXCYWATULJONQF-LFVJCYFKSA-N	0	0	374.440	4.736	40	30		FJEBRN
C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C	ZINC000408928377	570700032	/nfs/dbraw/zinc/70/00/32/570700032.db2.gz	AOAWFESPOOERJL-UOWSXMIYSA-N	0	0	367.257	4.785	40	30		FJEBRN
CCOCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccccc1	ZINC000408928824	570700261	/nfs/dbraw/zinc/70/02/61/570700261.db2.gz	LAAMREODGKPDLK-CAUPHXMNSA-N	0	0	372.515	4.697	40	30		FJEBRN
CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(Cl)c3)S2)cc1	ZINC000408950462	570702090	/nfs/dbraw/zinc/70/20/90/570702090.db2.gz	FEZNVCTYWOOYDV-LFIBNONCSA-N	0	0	358.850	4.630	40	30		FJEBRN
CCOc1cccc(/N=C\c2cc(Br)c(Br)o2)c1	ZINC000408956077	570702529	/nfs/dbraw/zinc/70/25/29/570702529.db2.gz	ZWOQBXOMWJZNSU-PXNMLYILSA-N	0	0	373.044	4.954	40	30		FJEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3Br)S2)cc1	ZINC000408965261	570704623	/nfs/dbraw/zinc/70/46/23/570704623.db2.gz	JRGUCVMKYHITON-XNTDXEJSSA-N	0	0	373.275	4.649	40	30		FJEBRN
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)c1	ZINC000408965395	570704645	/nfs/dbraw/zinc/70/46/45/570704645.db2.gz	GVQLHSCTNPBSRE-OEAKJJBVSA-N	0	0	362.429	4.727	40	30		FJEBRN
COc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)ccc1C	ZINC000408988181	570708411	/nfs/dbraw/zinc/70/84/11/570708411.db2.gz	HLJJGVFIBVUROJ-WQRHYEAKSA-N	0	0	352.459	4.512	40	30		FJEBRN
COc1ccc2ccc(OC)c(C=NN=c3[nH]c4ccccc4s3)c2c1	ZINC000409007889	570711684	/nfs/dbraw/zinc/71/16/84/570711684.db2.gz	RIQGWHCOCXVFIO-MTJSOVHGSA-N	0	0	363.442	4.913	40	30		FJEBRN
CCCCOc1ccc2ccccc2c1/C=N/N1C(=O)c2ccccc2C1=O	ZINC000409010741	570712194	/nfs/dbraw/zinc/71/21/94/570712194.db2.gz	KVWIWOXCYJKZLG-BUVRLJJBSA-N	0	0	372.424	4.649	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1	ZINC000409013180	570712625	/nfs/dbraw/zinc/71/26/25/570712625.db2.gz	LZUZRNJRXVRMOA-LPYMAVHISA-N	0	0	352.821	4.976	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2ccccc2)o1	ZINC000409038379	570715213	/nfs/dbraw/zinc/71/52/13/570715213.db2.gz	OPMDCWXAOJWSES-UYOCIXKTSA-N	0	0	354.225	4.661	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O	ZINC000409066956	570718352	/nfs/dbraw/zinc/71/83/52/570718352.db2.gz	OELDZFMFFAOWET-LFIBNONCSA-N	0	0	358.850	4.661	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O	ZINC000409074042	570719814	/nfs/dbraw/zinc/71/98/14/570719814.db2.gz	XMHBMMZKRQAQGQ-XDHOZWIPSA-N	0	0	366.486	4.933	40	30		FJEBRN
Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O	ZINC000409084456	570720169	/nfs/dbraw/zinc/72/01/69/570720169.db2.gz	CVIDKXYRLRZHRS-SPDSTVKKSA-N	0	0	373.481	4.829	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O	ZINC000409088884	570721608	/nfs/dbraw/zinc/72/16/08/570721608.db2.gz	MBPOWXKGPAOCIA-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
C=CCOc1c(Br)cc(CNc2ccccc2C)cc1OC	ZINC000409112692	570725568	/nfs/dbraw/zinc/72/55/68/570725568.db2.gz	FYJIDWJYQYKMJH-UHFFFAOYSA-N	0	0	362.267	4.943	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O	ZINC000409107860	570726910	/nfs/dbraw/zinc/72/69/10/570726910.db2.gz	RPHPOHFTJMMISW-STZFKDTASA-N	0	0	357.434	4.937	40	30		FJEBRN
C#CCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OCC	ZINC000409118534	570727628	/nfs/dbraw/zinc/72/76/28/570727628.db2.gz	NYNHXWBDHMVGMS-UHFFFAOYSA-N	0	0	359.853	4.762	40	30		FJEBRN
CCN(CC)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1	ZINC000409183405	570737329	/nfs/dbraw/zinc/73/73/29/570737329.db2.gz	BZRCGHBKFNTZBK-HZHRSRAPSA-N	0	0	368.477	4.614	40	30		FJEBRN
Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1C	ZINC000409202735	570740132	/nfs/dbraw/zinc/74/01/32/570740132.db2.gz	UKTPPNJFMMABDJ-PXLXIMEGSA-N	0	0	365.454	4.822	40	30		FJEBRN
CC(C)(C)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000012381699	570741002	/nfs/dbraw/zinc/74/10/02/570741002.db2.gz	UZZFQTRSDCSHAA-KQWNVCNZSA-N	0	0	355.913	4.794	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)c(C)c1	ZINC000409229756	570742365	/nfs/dbraw/zinc/74/23/65/570742365.db2.gz	UQJYLYGEROYKER-HZHRSRAPSA-N	0	0	366.461	4.531	40	30		FJEBRN
CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	ZINC000409230529	570743934	/nfs/dbraw/zinc/74/39/34/570743934.db2.gz	FDAUQYSJCIIYFT-BXDFRRGMSA-N	0	0	352.478	4.796	40	30		FJEBRN
CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1	ZINC000409241236	570745819	/nfs/dbraw/zinc/74/58/19/570745819.db2.gz	JQWVUYGSLICGEG-OUUNKBNMSA-N	0	0	370.449	4.848	40	30		FJEBRN
Cc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)o1	ZINC000409305750	570749604	/nfs/dbraw/zinc/74/96/04/570749604.db2.gz	NUTBMASKPXJBAF-UHFFFAOYSA-N	0	0	369.380	4.593	40	30		FJEBRN
O=C1c2ccccc2C/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409367995	570753892	/nfs/dbraw/zinc/75/38/92/570753892.db2.gz	PKGIUHLYWFYVFZ-CPNJWEJPSA-N	0	0	371.392	4.996	40	30		FJEBRN
NC(=O)Cn1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc21	ZINC000409385112	570754960	/nfs/dbraw/zinc/75/49/60/570754960.db2.gz	JFAHLXWARXSFBR-AFUMVMLFSA-N	0	0	369.424	4.670	40	30		FJEBRN
O=C1C=C(Nc2ccc(CCc3cccnc3)cc2)c2ccccc2C1=O	ZINC000100461253	570760809	/nfs/dbraw/zinc/76/08/09/570760809.db2.gz	IMGJDBIVXIHOGT-NJNXFGOHSA-N	0	0	354.409	4.626	40	30		FJEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000105420348	570777179	/nfs/dbraw/zinc/77/71/79/570777179.db2.gz	FSXPSZURUZVGQR-UHFFFAOYSA-N	0	0	358.404	4.511	40	30		FJEBRN
N#Cc1c(N)n(-c2cccc(Cl)c2)nc1-c1cccc(C(F)(F)F)c1	ZINC000039955209	570837071	/nfs/dbraw/zinc/83/70/71/570837071.db2.gz	ZRPDVDXSYXPVKY-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
C=CCOc1ccc(Br)cc1/C=N/c1oc(C)c(C)c1C#N	ZINC000014134477	570844295	/nfs/dbraw/zinc/84/42/95/570844295.db2.gz	DKJUYEKQHBACOR-KEBDBYFISA-N	0	0	359.223	4.846	40	30		FJEBRN
CCC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1C	ZINC000016678281	570860014	/nfs/dbraw/zinc/86/00/14/570860014.db2.gz	NLYZRBGZIHCTIC-LNVKXUELSA-N	0	0	362.477	4.727	40	30		FJEBRN
CC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C/c1ccccc1	ZINC000016919500	570863306	/nfs/dbraw/zinc/86/33/06/570863306.db2.gz	AEIWRXJWGCFDOT-CIIACBICSA-N	0	0	353.535	4.509	40	30		FJEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118928625	570871315	/nfs/dbraw/zinc/87/13/15/570871315.db2.gz	XIISKOBDMPFZPL-HMBYOLGQSA-N	0	0	360.538	4.878	40	30		FJEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118928630	570871420	/nfs/dbraw/zinc/87/14/20/570871420.db2.gz	XIISKOBDMPFZPL-LLQANNADSA-N	0	0	360.538	4.878	40	30		FJEBRN
CCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000020672550	570923141	/nfs/dbraw/zinc/92/31/41/570923141.db2.gz	KGVJNGGACUDNRF-OAQYLSRUSA-N	0	0	361.445	4.703	40	30		FJEBRN
N#CCc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1	ZINC000225518634	571042501	/nfs/dbraw/zinc/04/25/01/571042501.db2.gz	ZUANVNISOKCLEL-UHFFFAOYSA-N	0	0	357.482	4.829	40	30		FJEBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(CC#N)cc1	ZINC000225677842	571055060	/nfs/dbraw/zinc/05/50/60/571055060.db2.gz	JAZYGFAVRSDTEX-SFHVURJKSA-N	0	0	365.502	4.650	40	30		FJEBRN
COc1cc(/C=N\N=C(/C)c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000031723557	571055511	/nfs/dbraw/zinc/05/55/11/571055511.db2.gz	FUSJKVOJYARDKE-PMICNGQHSA-N	0	0	362.429	4.709	40	30		FJEBRN
CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225827798	571071255	/nfs/dbraw/zinc/07/12/55/571071255.db2.gz	UJIWCVBITXNSEB-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1cccc(C)c1	ZINC000408757912	571075532	/nfs/dbraw/zinc/07/55/32/571075532.db2.gz	DQHZHJGDFCPIQW-HMAPJEAMSA-N	0	0	362.502	4.723	40	30		FJEBRN
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=N/c1ccccc1)N2CC	ZINC000033387769	571084701	/nfs/dbraw/zinc/08/47/01/571084701.db2.gz	LNCXUZHUVRPLPZ-UJOYTAFJSA-N	0	0	363.461	4.773	40	30		FJEBRN
Cc1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	ZINC000059087038	571086925	/nfs/dbraw/zinc/08/69/25/571086925.db2.gz	IYVACMZBAHMJBF-YBFXNURJSA-N	0	0	366.333	4.517	40	30		FJEBRN
COc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1	ZINC000059249516	571088971	/nfs/dbraw/zinc/08/89/71/571088971.db2.gz	AHWLGBLLLSAZMN-DEDYPNTBSA-N	0	0	355.235	4.999	40	30		FJEBRN
COc1cccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c1O	ZINC000059461333	571089534	/nfs/dbraw/zinc/08/95/34/571089534.db2.gz	MSRFKKQYYFGFHH-SOOUNPCTSA-N	0	0	368.414	4.591	40	30		FJEBRN
COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1	ZINC000059461349	571089563	/nfs/dbraw/zinc/08/95/63/571089563.db2.gz	PUYIVSBGDIAMIJ-SLCIEKFFSA-N	0	0	352.415	4.886	40	30		FJEBRN
COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1	ZINC000059461346	571089687	/nfs/dbraw/zinc/08/96/87/571089687.db2.gz	YEGPUHDBIISOIX-XENGFHBVSA-N	0	0	352.415	4.886	40	30		FJEBRN
Fc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1	ZINC000059417089	571090412	/nfs/dbraw/zinc/09/04/12/571090412.db2.gz	WXXNALDWCADTDT-YDZHTSKRSA-N	0	0	360.392	4.727	40	30		FJEBRN
O=C(Oc1cccc(C=NNc2nc3ccccc3s2)c1)c1ccco1	ZINC000059502959	571091538	/nfs/dbraw/zinc/09/15/38/571091538.db2.gz	WKZNPQDFCSBWTA-UDWIEESQSA-N	0	0	363.398	4.555	40	30		FJEBRN
Cc1c(/C=N/c2ccc(I)cc2)c2ccccc2n1C	ZINC000059679194	571092286	/nfs/dbraw/zinc/09/22/86/571092286.db2.gz	CVHHEIICRNGRKU-YBFXNURJSA-N	0	0	374.225	4.842	40	30		FJEBRN
CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@H](C)C1	ZINC000260818222	571123926	/nfs/dbraw/zinc/12/39/26/571123926.db2.gz	YCOZRJIXAJZZCC-CKJXQJPGSA-N	0	0	358.482	4.659	40	30		FJEBRN
Cc1ccc(COc2c(Cl)cc(/C=N\O)cc2Br)cc1	ZINC000216910727	571153693	/nfs/dbraw/zinc/15/36/93/571153693.db2.gz	NOSZJQIAJSXLDZ-LSCVHKIXSA-N	0	0	354.631	4.798	40	30		FJEBRN
O=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1	ZINC000091302748	571158867	/nfs/dbraw/zinc/15/88/67/571158867.db2.gz	YLOUDHXZAFVYCU-UHFFFAOYSA-N	0	0	366.464	4.855	40	30		FJEBRN
Cc1sc2c(c1C)c(=O)[nH]c1c(C#N)c(-c3ccc(Cl)cc3)cn12	ZINC000001609255	571160633	/nfs/dbraw/zinc/16/06/33/571160633.db2.gz	HMVLMOOMLGOZQI-UHFFFAOYSA-N	0	0	353.834	4.651	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2cc1C	ZINC000034791561	571167282	/nfs/dbraw/zinc/16/72/82/571167282.db2.gz	UDNSHVFBRQATDS-ACJLOTCBSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2cc1C	ZINC000034791557	571167440	/nfs/dbraw/zinc/16/74/40/571167440.db2.gz	UDNSHVFBRQATDS-UGSOOPFHSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C#N)cc2c1	ZINC000001222305	571172544	/nfs/dbraw/zinc/17/25/44/571172544.db2.gz	ZAYZFGUAWGAALK-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
C=CCc1cc(C(=O)NCCCc2cccc(OC(C)C)c2)ccc1OC	ZINC000218656493	571173904	/nfs/dbraw/zinc/17/39/04/571173904.db2.gz	GOQZYTBLQOFSKQ-UHFFFAOYSA-N	0	0	367.489	4.574	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1	ZINC000219789032	571174903	/nfs/dbraw/zinc/17/49/03/571174903.db2.gz	HWVHXNLDSJGAKY-IBGZPJMESA-N	0	0	351.446	4.674	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C	ZINC000219804084	571175188	/nfs/dbraw/zinc/17/51/88/571175188.db2.gz	JNQCFPNCYQYOQJ-UHFFFAOYSA-N	0	0	368.502	4.603	40	30		FJEBRN
COC(=O)CCC#CCCCCCCCCCCC#CCCC(=O)OC	ZINC000261829798	571201715	/nfs/dbraw/zinc/20/17/15/571201715.db2.gz	QQGCEDKDAGOECX-UHFFFAOYSA-N	0	0	362.510	4.801	40	30		FJEBRN
CC(C)N=Nc1nc2c(cc(Br)cc2C(F)(F)F)s1	ZINC000057327445	571207408	/nfs/dbraw/zinc/20/74/08/571207408.db2.gz	SUFJKSIOROPFRH-UHFFFAOYSA-N	0	0	352.179	4.885	40	30		FJEBRN
O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccccc1[N+](=O)[O-]	ZINC000001681962	571248646	/nfs/dbraw/zinc/24/86/46/571248646.db2.gz	OUPIYWLOWVJIGA-OVWUPXBPSA-N	0	0	357.365	4.995	40	30		FJEBRN
COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21	ZINC000006960392	571297810	/nfs/dbraw/zinc/29/78/10/571297810.db2.gz	CJTYKLYMZPGBOD-NNMXDRDESA-N	0	0	374.440	4.511	40	30		FJEBRN
Cn1c2ccccc2nc1NN=Cc1ccc(OCc2ccccc2)cc1	ZINC000007343320	571298723	/nfs/dbraw/zinc/29/87/23/571298723.db2.gz	MSWHCOHKQPOADX-HZHRSRAPSA-N	0	0	356.429	4.598	40	30		FJEBRN
O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1	ZINC000010118805	571302775	/nfs/dbraw/zinc/30/27/75/571302775.db2.gz	FREYDJPJPBCKHI-SSDVNMTOSA-N	0	0	373.771	4.771	40	30		FJEBRN
Cc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1-c1ccccc1	ZINC000035342903	571306125	/nfs/dbraw/zinc/30/61/25/571306125.db2.gz	HUEGASWADRUNSU-UHFFFAOYSA-N	0	0	364.246	4.940	40	30		FJEBRN
N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2	ZINC000035298239	571306167	/nfs/dbraw/zinc/30/61/67/571306167.db2.gz	XXOFGDAEZPVMNP-UHFFFAOYSA-N	0	0	355.441	4.660	40	30		FJEBRN
C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2F)C1=O	ZINC000060512825	571306490	/nfs/dbraw/zinc/30/64/90/571306490.db2.gz	GKFLCJZKSPJCTA-SFQUDFHCSA-N	0	0	371.458	4.796	40	30		FJEBRN
COC(=O)c1ccc(/C=N/c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1	ZINC000003043347	571310220	/nfs/dbraw/zinc/31/02/20/571310220.db2.gz	ZLKBPWYFNMSEFA-YDZHTSKRSA-N	0	0	372.380	4.582	40	30		FJEBRN
Cc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	ZINC000006684054	571310377	/nfs/dbraw/zinc/31/03/77/571310377.db2.gz	HCISTFZLACXROZ-ZVBGSRNCSA-N	0	0	351.328	4.985	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1	ZINC000008362976	571310499	/nfs/dbraw/zinc/31/04/99/571310499.db2.gz	WZHPVNHUDXFLDD-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)c(C)c1	ZINC000033721369	571310631	/nfs/dbraw/zinc/31/06/31/571310631.db2.gz	KMYGHWKHCBEIJS-YDZHTSKRSA-N	0	0	354.425	4.580	40	30		FJEBRN
CCOc1ccc2ccccc2c1/C=N\OCC(=O)Nc1ccc(C)cc1	ZINC000034848913	571310746	/nfs/dbraw/zinc/31/07/46/571310746.db2.gz	NMJIUVXRNSDXLL-UCQKPKSFSA-N	0	0	362.429	4.536	40	30		FJEBRN
Cc1[nH]c2ccc(C)cc2c1CN=Nc1c(F)c(F)c(F)c(F)c1F	ZINC000106561508	571310895	/nfs/dbraw/zinc/31/08/95/571310895.db2.gz	PANZINKINWOQKT-OUBWWKSTSA-N	0	0	353.294	4.926	40	30		FJEBRN
CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F	ZINC000107635054	571310899	/nfs/dbraw/zinc/31/08/99/571310899.db2.gz	MIIWBWZUVQYZSV-CSKARUKUSA-N	0	0	352.178	4.926	40	30		FJEBRN
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C#N)cc1F	ZINC000408627832	571319388	/nfs/dbraw/zinc/31/93/88/571319388.db2.gz	ODUNKMBGLLJVLV-UHFFFAOYSA-N	0	0	370.387	4.801	40	30		FJEBRN
Cc1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C	ZINC000408629309	571319426	/nfs/dbraw/zinc/31/94/26/571319426.db2.gz	WJZCVRDISHUILM-UHFFFAOYSA-N	0	0	367.386	4.657	40	30		FJEBRN
N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccc(F)cc3)cc1)CCCC2	ZINC000408982692	571319445	/nfs/dbraw/zinc/31/94/45/571319445.db2.gz	YQIQAHGUEAUYTE-UHFFFAOYSA-N	0	0	373.431	4.630	40	30		FJEBRN
Cc1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)c(C)c1	ZINC000409338605	571319580	/nfs/dbraw/zinc/31/95/80/571319580.db2.gz	MVRPZGBXTZDOHT-YVLHZVERSA-N	0	0	350.468	4.581	40	30		FJEBRN
COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc21	ZINC000008960438	571320926	/nfs/dbraw/zinc/32/09/26/571320926.db2.gz	FYZORZKPEPFHNO-UHFFFAOYSA-N	0	0	352.415	4.506	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N	ZINC000225685024	571337848	/nfs/dbraw/zinc/33/78/48/571337848.db2.gz	UUOAHYKYRYLDEW-UHFFFAOYSA-N	0	0	354.837	4.671	40	30		FJEBRN
C[C@@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1	ZINC000225866166	571338833	/nfs/dbraw/zinc/33/88/33/571338833.db2.gz	VDDHUCLTABEBJW-GFCCVEGCSA-N	0	0	363.292	4.533	40	30		FJEBRN
Cc1ccc(C)c(OCCn2cc(C#N)c3cc(Br)ccc32)c1	ZINC000059109381	571355229	/nfs/dbraw/zinc/35/52/29/571355229.db2.gz	XHBZZXUZNXYVBM-UHFFFAOYSA-N	0	0	369.262	4.971	40	30		FJEBRN
C=CCc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1OC	ZINC000218658400	222685693	/nfs/dbraw/zinc/68/56/93/222685693.db2.gz	OYFBGRQESJVUDD-IBGZPJMESA-N	0	0	365.473	4.764	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2c1	ZINC000000899095	219337570	/nfs/dbraw/zinc/33/75/70/219337570.db2.gz	ZICXDOLOLPAATQ-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)c(C#N)cc12	ZINC000000933892	219342741	/nfs/dbraw/zinc/34/27/41/219342741.db2.gz	QMVKRTIINCIVPF-KDOFPFPSSA-N	0	0	367.518	4.510	40	30		FJEBRN
Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000001051302	219359163	/nfs/dbraw/zinc/35/91/63/219359163.db2.gz	IVBCPOPJRMGHMB-UHFFFAOYSA-N	0	0	373.364	4.934	40	30		FJEBRN
CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225846484	209840758	/nfs/dbraw/zinc/84/07/58/209840758.db2.gz	NCSNQXJOXBSBMU-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N	ZINC000225841318	209839750	/nfs/dbraw/zinc/83/97/50/209839750.db2.gz	VYVXEBPLDOMGJO-IIBYNOLFSA-N	0	0	360.498	4.905	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)cc1	ZINC000225490130	222845195	/nfs/dbraw/zinc/84/51/95/222845195.db2.gz	ZJMWUKKHAWAURH-IBGZPJMESA-N	0	0	356.491	4.698	40	30		FJEBRN
COc1ccc(NN=C(c2noc(-c3ccccc3)n2)c2ccccc2)cc1	ZINC000005518531	219686936	/nfs/dbraw/zinc/68/69/36/219686936.db2.gz	WTAMAFUULWNDDK-QQTULTPQSA-N	0	0	370.412	4.610	40	30		FJEBRN
CC/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC	ZINC000006634101	219741417	/nfs/dbraw/zinc/74/14/17/219741417.db2.gz	INDORDWZXMQIAX-JTHVCAJSSA-N	0	0	360.866	4.912	40	30		FJEBRN
O=C1/C(=C\c2ccc(O)cc2)S/C(=N/c2ccccc2)N1C1CCCC1	ZINC000004535716	209424635	/nfs/dbraw/zinc/42/46/35/209424635.db2.gz	FGMOXVLNXGURMK-KIOXBDSISA-N	0	0	364.470	4.939	40	30		FJEBRN
C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccc(NC(C)=O)cc1	ZINC000003190820	209401438	/nfs/dbraw/zinc/40/14/38/209401438.db2.gz	KHSHDCIOICZSAA-UHFFFAOYSA-O	0	0	364.494	4.899	40	30		FJEBRN
C=C(C)COc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O	ZINC000000651622	209373846	/nfs/dbraw/zinc/37/38/46/209373846.db2.gz	CTMMQZDFLNTZFH-BOPFTXTBSA-N	0	0	353.805	4.639	40	30		FJEBRN
C[C@H](C(=NNc1ccccc1)c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc21	ZINC000104295163	209259762	/nfs/dbraw/zinc/25/97/62/209259762.db2.gz	QFIOQZMUCYTKEW-ITCIPOOLSA-N	0	0	372.424	4.547	40	30		FJEBRN
CCCCCCCC[C@H]1O[C@@H]1CCCCCCCCOC[C@H](O)CO	ZINC000104049783	209258522	/nfs/dbraw/zinc/25/85/22/209258522.db2.gz	CIIHZROFUPCXTE-NJDAHSKKSA-N	0	0	358.563	4.605	40	30		FJEBRN
O/N=C(/c1ccccc1)c1ccc2c3c(ccc2Br)CCc31	ZINC000104128321	209258157	/nfs/dbraw/zinc/25/81/57/209258157.db2.gz	WMMBKSROIVZPRM-VZCXRCSSSA-N	0	0	352.231	4.928	40	30		FJEBRN
CS/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	ZINC000100930596	209219591	/nfs/dbraw/zinc/21/95/91/209219591.db2.gz	CHSMWUWYIQDWRI-ROUMAOROSA-N	0	0	365.289	4.670	40	30		FJEBRN
C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1ccc2c(c1)OCO2	ZINC000013590327	220077566	/nfs/dbraw/zinc/07/75/66/220077566.db2.gz	AUARNSFIWWURCB-YDZHTSKRSA-N	0	0	355.397	4.564	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@H]3C=CC[C@H]23)c1	ZINC000013988500	220099594	/nfs/dbraw/zinc/09/95/94/220099594.db2.gz	OOLPSPFENZMUGE-NHBYIASCSA-N	0	0	359.804	4.597	40	30		FJEBRN
C=CCOc1ccc(Br)cc1/C=C1/C(=O)Nc2ccccc21	ZINC000015011361	220141591	/nfs/dbraw/zinc/14/15/91/220141591.db2.gz	AUIRIVXEARVCIO-RVDMUPIBSA-N	0	0	356.219	4.507	40	30		FJEBRN
COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)c2C#N)cc1OC	ZINC000019214345	220239223	/nfs/dbraw/zinc/23/92/23/220239223.db2.gz	LQIBREYXWZUAHZ-UHFFFAOYSA-N	0	0	359.429	4.504	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)CC	ZINC000219804349	206760485	/nfs/dbraw/zinc/76/04/85/206760485.db2.gz	TYOHRJKOHRVZLA-OAHLLOKOSA-N	0	0	368.502	4.745	40	30		FJEBRN
CCCc1nc2ccccc2c(=O)n1/N=C\c1ccc(Cl)cc1Cl	ZINC000005329148	207093970	/nfs/dbraw/zinc/09/39/70/207093970.db2.gz	WLSRIWIGDVCHTK-NHDPSOOVSA-N	0	0	360.244	4.538	40	30		FJEBRN
COc1cc(/C=N/N=C(\C)c2ccc3ccccc3c2)cc(OC)c1OC	ZINC000005328359	207094229	/nfs/dbraw/zinc/09/42/29/207094229.db2.gz	FUSJKVOJYARDKE-OZEVPFDHSA-N	0	0	362.429	4.709	40	30		FJEBRN
O=C(Nc1ccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1	ZINC000005581090	207107421	/nfs/dbraw/zinc/10/74/21/207107421.db2.gz	YAJQPNPRUZJGCK-VBNUZUJXSA-N	0	0	361.357	4.856	40	30		FJEBRN
Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1ccc(Cl)cc1)CCC2	ZINC000006049344	207126751	/nfs/dbraw/zinc/12/67/51/207126751.db2.gz	ZWMRRMUWCYPEJC-RELWKKBWSA-N	0	0	357.910	4.984	40	30		FJEBRN
COC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000006521078	207143570	/nfs/dbraw/zinc/14/35/70/207143570.db2.gz	OFUAAJMQFPQPSA-HNNXBMFYSA-N	0	0	374.465	4.941	40	30		FJEBRN
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C#N)CCC[C@@]21C	ZINC000006761477	207162818	/nfs/dbraw/zinc/16/28/18/207162818.db2.gz	BELCZLRITOCYFD-BVSLBCMMSA-N	0	0	353.462	4.659	40	30		FJEBRN
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2)S1	ZINC000006870630	207173448	/nfs/dbraw/zinc/17/34/48/207173448.db2.gz	UIJVTOULCWJIRW-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
CC1(C)[C@H]2C[C@@H]1C(C=NN1C(=S)N=NC1c1ccccc1Cl)=CC2	ZINC000007990900	207216373	/nfs/dbraw/zinc/21/63/73/207216373.db2.gz	OGOGUNCUNDDLJR-SEXNOBHXSA-N	0	0	358.898	4.714	40	30		FJEBRN
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2\C[C@H]3C=CC[C@@H]23)c1	ZINC000008936525	207252476	/nfs/dbraw/zinc/25/24/76/207252476.db2.gz	OOLPSPFENZMUGE-CLIMZUAFSA-N	0	0	359.804	4.597	40	30		FJEBRN
Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)c1ccccc1)CC(C)(C)C2	ZINC000016739543	207595678	/nfs/dbraw/zinc/59/56/78/207595678.db2.gz	GOHISOXBJQXNOR-NCELDCMTSA-N	0	0	373.456	4.714	40	30		FJEBRN
C=CCOC(=O)c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000073634058	208188283	/nfs/dbraw/zinc/18/82/83/208188283.db2.gz	WENILZXSFBWLSD-UHFFFAOYSA-N	0	0	358.191	4.600	40	30		FJEBRN
CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2C#N)c1	ZINC000043173974	208303158	/nfs/dbraw/zinc/30/31/58/208303158.db2.gz	HLKYSQGBIIIQJN-UHFFFAOYSA-N	0	0	353.425	4.792	40	30		FJEBRN
N#Cc1c(N)nc2c3cc4c(nc3sc2c1-c1ccccc1)CCCC4	ZINC000019798015	220298674	/nfs/dbraw/zinc/29/86/74/220298674.db2.gz	GNGVDZBHFIQFOL-UHFFFAOYSA-N	0	0	356.454	4.844	40	30		FJEBRN
CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-]	ZINC000032601357	220665288	/nfs/dbraw/zinc/66/52/88/220665288.db2.gz	RFWNRYHWKKTRIH-RGVLZGJSSA-N	0	0	355.419	4.556	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2cc1C	ZINC000034791555	220762630	/nfs/dbraw/zinc/76/26/30/220762630.db2.gz	UDNSHVFBRQATDS-SCLBCKFNSA-N	0	0	367.518	4.510	40	30		FJEBRN
N#Cc1c(N)n(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl	ZINC000039955315	220866726	/nfs/dbraw/zinc/86/67/26/220866726.db2.gz	YXVOZJUAPBBMOU-UHFFFAOYSA-N	0	0	363.635	4.953	40	30		FJEBRN
C=CCSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1	ZINC000039989277	220868909	/nfs/dbraw/zinc/86/89/09/220868909.db2.gz	MHFHOAVOJMRHEF-DHZHZOJOSA-N	0	0	359.520	4.766	40	30		FJEBRN
C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)N1Cc1ccccc1	ZINC000054201847	221051046	/nfs/dbraw/zinc/05/10/46/221051046.db2.gz	QAGILMRZNWONPW-QZTJIDSGSA-N	0	0	352.522	4.879	40	30		FJEBRN
CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccc(O)c(O)c3)cs1)C2	ZINC000101579415	222277571	/nfs/dbraw/zinc/27/75/71/222277571.db2.gz	KCSUPFVUZDVRDD-PXVMRGOMSA-N	0	0	357.479	4.835	40	30		FJEBRN
Cc1ccc(C)c2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc12	ZINC000001223968	263143787	/nfs/dbraw/zinc/14/37/87/263143787.db2.gz	ZKQDSLCESQBDJF-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
Cc1ccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1	ZINC000004607055	263335117	/nfs/dbraw/zinc/33/51/17/263335117.db2.gz	FEBMJCQALMBEDL-NTCAYCPXSA-N	0	0	363.420	4.736	40	30		FJEBRN
O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000004720906	263336782	/nfs/dbraw/zinc/33/67/82/263336782.db2.gz	OUPIYWLOWVJIGA-MTPVXSITSA-N	0	0	357.365	4.995	40	30		FJEBRN
C=CCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC	ZINC000005720255	263342910	/nfs/dbraw/zinc/34/29/10/263342910.db2.gz	QMGQPZZQTQSNCG-VQHVLOKHSA-N	0	0	373.246	4.919	40	30		FJEBRN
COc1cc(C=[NH+][N-]c2ccccc2)c(OC)cc1C=NNc1ccccc1	ZINC000006735463	263346156	/nfs/dbraw/zinc/34/61/56/263346156.db2.gz	YFOZOHUXDSHBLW-DFEHQXHXSA-N	0	0	374.444	4.596	40	30		FJEBRN
O=C(/C(=N/N=C/c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1	ZINC000006674712	263346581	/nfs/dbraw/zinc/34/65/81/263346581.db2.gz	FWEWNYXCCZYPAE-LKZVIGDNSA-N	0	0	351.409	4.874	40	30		FJEBRN
O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)Sc1ccccc1N2	ZINC000007449648	263351440	/nfs/dbraw/zinc/35/14/40/263351440.db2.gz	SZJNLCJJLAOXLU-FQEVSTJZSA-N	0	0	351.427	4.681	40	30		FJEBRN
CC(=C\c1ccccc1)/C=N\N1CCN(Cc2ccccc2Cl)CC1	ZINC000019771775	263376897	/nfs/dbraw/zinc/37/68/97/263376897.db2.gz	KWVXTUBVGIUVEN-PTUHFYJISA-N	0	0	353.897	4.547	40	30		FJEBRN
Cc1nc2sc3c(nc(N)c(C#N)c3-c3ccccc3)c2c2c1CCC2	ZINC000020458942	263381327	/nfs/dbraw/zinc/38/13/27/263381327.db2.gz	BVGQDSXDIKBEHU-UHFFFAOYSA-N	0	0	356.454	4.763	40	30		FJEBRN
COc1ccccc1CN/N=C/c1cccc(OCc2ccc(C)cc2)c1	ZINC000020762257	263382516	/nfs/dbraw/zinc/38/25/16/263382516.db2.gz	RLNNHIILKCSVLM-BUVRLJJBSA-N	0	0	360.457	4.706	40	30		FJEBRN
C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1	ZINC000059503055	263421543	/nfs/dbraw/zinc/42/15/43/263421543.db2.gz	VINBSNBPTUMNEE-HKWRFOASSA-N	0	0	361.441	4.893	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1cc(C)ccc1C	ZINC000408905832	263505737	/nfs/dbraw/zinc/50/57/37/263505737.db2.gz	FJKWOBFOSBUWFB-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C	ZINC000408930256	263508028	/nfs/dbraw/zinc/50/80/28/263508028.db2.gz	URYPKIYPXQURCK-UOWSXMIYSA-N	0	0	367.257	4.785	40	30		FJEBRN
CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1cc(C)cc(C)c1	ZINC000408939547	263508883	/nfs/dbraw/zinc/50/88/83/263508883.db2.gz	MZIAJYSOIRYURD-VCHYOVAHSA-N	0	0	355.821	4.852	40	30		FJEBRN
C=CCN(CC=C)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408975750	263513367	/nfs/dbraw/zinc/51/33/67/263513367.db2.gz	MNDQYRJQEJCZSJ-UHFFFAOYSA-N	0	0	373.485	4.635	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O	ZINC000409074130	263523001	/nfs/dbraw/zinc/52/30/01/263523001.db2.gz	SBARHYGZWUDZAU-CPNJWEJPSA-N	0	0	365.454	4.796	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C	ZINC000409108720	263526520	/nfs/dbraw/zinc/52/65/20/263526520.db2.gz	XIXQJPYZHGKPIV-WQRHYEAKSA-N	0	0	353.491	4.633	40	30		FJEBRN
COc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c([N+](=O)[O-])c1	ZINC000409372048	263552193	/nfs/dbraw/zinc/55/21/93/263552193.db2.gz	OCEXUPUNLYPSCV-SDNWHVSQSA-N	0	0	361.353	4.686	40	30		FJEBRN
O=C1c2ccccc2C/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409368136	263552534	/nfs/dbraw/zinc/55/25/34/263552534.db2.gz	TYNSRNLBUZXPFY-XMHGGMMESA-N	0	0	371.392	4.996	40	30		FJEBRN
C/C(C=NN1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1	ZINC000238901103	518474288	/nfs/dbraw/zinc/47/42/88/518474288.db2.gz	KWVXTUBVGIUVEN-UHFFFAOYSA-N	0	0	353.897	4.547	40	30		FJEBRN
C/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)N1C	ZINC000223555397	518573112	/nfs/dbraw/zinc/57/31/12/518573112.db2.gz	VUIWQEWNYGYXGA-HNLDYYEUSA-N	0	0	371.550	4.719	40	30		FJEBRN
C=CCCC1(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000165350198	518698776	/nfs/dbraw/zinc/69/87/76/518698776.db2.gz	SWNGYZMUGPIWEB-UHFFFAOYSA-N	0	0	373.493	4.713	40	30		FJEBRN
C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225042735	518810845	/nfs/dbraw/zinc/81/08/45/518810845.db2.gz	TXXGYQYVOOMIMV-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225044513	518820211	/nfs/dbraw/zinc/82/02/11/518820211.db2.gz	PMDZTSRLSTVQRT-UHFFFAOYSA-N	0	0	351.471	4.784	40	30		FJEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1	ZINC000224540098	519054969	/nfs/dbraw/zinc/05/49/69/519054969.db2.gz	YWMLAJNIRJZVEL-MRXNPFEDSA-N	0	0	351.446	4.536	40	30		FJEBRN
C=CCc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1OC	ZINC000223698687	519128693	/nfs/dbraw/zinc/12/86/93/519128693.db2.gz	VYYDGOBZKPXWPH-UHFFFAOYSA-N	0	0	367.489	4.530	40	30		FJEBRN
C=CCc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1OC	ZINC000225149430	519130968	/nfs/dbraw/zinc/13/09/68/519130968.db2.gz	CHFPRNSEMFDUSU-UHFFFAOYSA-N	0	0	365.458	4.503	40	30		FJEBRN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1	ZINC000253501275	519757018	/nfs/dbraw/zinc/75/70/18/519757018.db2.gz	QLMXZKMIBONXSF-JTPPEQCGSA-N	0	0	354.490	4.926	40	30		FJEBRN
CCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1	ZINC000017044875	519861258	/nfs/dbraw/zinc/86/12/58/519861258.db2.gz	YOYNMFXOWHXUMO-ZEWRTSCZSA-N	0	0	354.366	4.784	40	30		FJEBRN
CCC(=O)Nc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1	ZINC000005977775	521197346	/nfs/dbraw/zinc/19/73/46/521197346.db2.gz	DHQNLNJLOOJICO-UDWIEESQSA-N	0	0	350.447	4.605	40	30		FJEBRN
CCN1c2cc(C)c(/C=C3\S/C(=N\C)N(C)C3=O)cc2C(C)=CC1(C)C	ZINC000223499204	521730098	/nfs/dbraw/zinc/73/00/98/521730098.db2.gz	VJXHMLBISJWIJE-CXDOZEDNSA-N	0	0	369.534	4.549	40	30		FJEBRN
Cc1ccc(COc2ccccc2/C=C2\C(=O)ON=C2c2ccccc2)cc1	ZINC000096769362	524631219	/nfs/dbraw/zinc/63/12/19/524631219.db2.gz	YGKBUCZQUYYSCT-QNGOZBTKSA-N	0	0	369.420	4.919	40	30		FJEBRN
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc([N+](=O)[O-])cc1	ZINC000104283816	525031199	/nfs/dbraw/zinc/03/11/99/525031199.db2.gz	BIZPYDZJGRXSQV-FCQUAONHSA-N	0	0	362.393	4.952	40	30		FJEBRN
Cc1ccc(-c2csc([N-][NH+]=Cc3ccc(N(C)C)cc3)n2)c(C)c1	ZINC000004957171	525781549	/nfs/dbraw/zinc/78/15/49/525781549.db2.gz	OISVGGUHIZPULN-CIAFOILYSA-N	0	0	350.491	4.939	40	30		FJEBRN
Cc1ccc(C)c(-c2csc([N-][NH+]=Cc3ccc(N(C)C)cc3)n2)c1	ZINC000004957155	526255970	/nfs/dbraw/zinc/25/59/70/526255970.db2.gz	BUTCZIXRCMCFSD-CIAFOILYSA-N	0	0	350.491	4.939	40	30		FJEBRN
Fc1ccc(CN=Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)s1	ZINC000252500865	526322672	/nfs/dbraw/zinc/32/26/72/526322672.db2.gz	TXAZLLQRDZWXNQ-ZVBGSRNCSA-N	0	0	366.343	4.809	40	30		FJEBRN
N#Cc1c(N=NCc2ccccc2)snc1SCc1ccccc1	ZINC000004481960	526530583	/nfs/dbraw/zinc/53/05/83/526530583.db2.gz	KNGWPGMJDREOBV-UDWIEESQSA-N	0	0	350.472	4.753	40	30		FJEBRN
O=C(N=C1C=CC(=NC(=O)OCc2ccccc2)C=C1)OCc1ccccc1	ZINC000001583198	527448855	/nfs/dbraw/zinc/44/88/55/527448855.db2.gz	XARBFVBAGWCLKX-UHFFFAOYSA-N	0	0	374.396	4.668	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)COc1ccccc1Br	ZINC000072265782	571178334	/nfs/dbraw/zinc/17/83/34/571178334.db2.gz	NVGXDYLZXBQRBZ-UHFFFAOYSA-N	0	0	355.047	4.661	40	30		FJEBRN
COc1ccc([C@@H]2CCCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001715760	570505473	/nfs/dbraw/zinc/50/54/73/570505473.db2.gz	MCABBJPUFYFWOF-LEWJYISDSA-N	0	0	374.502	4.825	40	30		FJEBRN
CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl	ZINC000408530219	570510692	/nfs/dbraw/zinc/51/06/92/570510692.db2.gz	LKSWKZSOUDVVQT-WJDWOHSUSA-N	0	0	358.850	4.630	40	30		FJEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O	ZINC000408534581	570516169	/nfs/dbraw/zinc/51/61/69/570516169.db2.gz	TUAZOZKKYUHMTB-PDGQHHTCSA-N	0	0	369.417	4.627	40	30		FJEBRN
Cc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1	ZINC000002326757	570519269	/nfs/dbraw/zinc/51/92/69/570519269.db2.gz	KOWJSISHOJEMFU-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1	ZINC000225827427	570539057	/nfs/dbraw/zinc/53/90/57/570539057.db2.gz	RZCFMMIXAXBHHM-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
COc1ccc(/N=C/c2ccccc2I)cc1Cl	ZINC000408550279	570544017	/nfs/dbraw/zinc/54/40/17/570544017.db2.gz	FLQPKRAMIWAWHT-RQZCQDPDSA-N	0	0	371.605	4.704	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C#N	ZINC000225841024	570546762	/nfs/dbraw/zinc/54/67/62/570546762.db2.gz	KKEAIHYIJIYVIN-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
C=CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC	ZINC000408571328	570557060	/nfs/dbraw/zinc/55/70/60/570557060.db2.gz	OIVSNXQFRJTHDW-SFHVURJKSA-N	0	0	366.417	4.540	40	30		FJEBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/OCc2ccccc2C#N)o1	ZINC000408590128	570567887	/nfs/dbraw/zinc/56/78/87/570567887.db2.gz	GEYSTPXBVBCQRH-WSDLNYQXSA-N	0	0	361.357	4.586	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1C#N	ZINC000408595292	570575641	/nfs/dbraw/zinc/57/56/41/570575641.db2.gz	LXXYFVYXIJLQEY-CVKSISIWSA-N	0	0	367.408	4.560	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1cccc(OCc2ccccc2F)c1	ZINC000408596079	570576342	/nfs/dbraw/zinc/57/63/42/570576342.db2.gz	PEQQARGWLDFACP-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OC	ZINC000006957966	570576638	/nfs/dbraw/zinc/57/66/38/570576638.db2.gz	WYVNPNYDOVNVHM-YBFXNURJSA-N	0	0	364.239	4.616	40	30		FJEBRN
N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1F	ZINC000408597172	570577183	/nfs/dbraw/zinc/57/71/83/570577183.db2.gz	XYASSOVLEOYWBZ-AFUMVMLFSA-N	0	0	360.388	4.827	40	30		FJEBRN
C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1OC	ZINC000408609348	570582189	/nfs/dbraw/zinc/58/21/89/570582189.db2.gz	NADIVWHEGFSMJQ-UHFFFAOYSA-N	0	0	362.267	4.943	40	30		FJEBRN
Clc1ccc(N2CCN(/N=C\c3c(Cl)cccc3Cl)CC2)cc1	ZINC000004550435	570596042	/nfs/dbraw/zinc/59/60/42/570596042.db2.gz	SWTOZMFPYMFHJG-MTJSOVHGSA-N	0	0	368.695	4.803	40	30		FJEBRN
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccccc1F	ZINC000005376939	570625411	/nfs/dbraw/zinc/62/54/11/570625411.db2.gz	OQZOZXLPIFKLGQ-AUWJEWJLSA-N	0	0	350.777	4.510	40	30		FJEBRN
C=CCO/N=C(\CCC)C1=C(OC)C[C@@H](C[C@H](C)SCC)CC1=O	ZINC000005417236	570626840	/nfs/dbraw/zinc/62/68/40/570626840.db2.gz	UQZVHDPICKDZDC-WMVLJVOQSA-N	0	0	353.528	4.756	40	30		FJEBRN
CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000137495970	570631990	/nfs/dbraw/zinc/63/19/90/570631990.db2.gz	YENKJFOXQKKQLW-SMHQWKPTSA-N	0	0	358.488	4.596	40	30		FJEBRN
CCc1ccc(-n2c(C)cc(/C=N/Cc3ccc(C(=O)[O-])cc3)c2C)cc1	ZINC000408762285	570632489	/nfs/dbraw/zinc/63/24/89/570632489.db2.gz	DMYADUWWZUOQHL-BUVRLJJBSA-N	0	0	360.457	4.974	40	30		FJEBRN
S=C(NN=Cc1ccccc1OCc1ccccc1)Nc1ccccc1	ZINC000006257909	570644585	/nfs/dbraw/zinc/64/45/85/570644585.db2.gz	TXQHZARCRNLYJQ-UHFFFAOYSA-N	0	0	361.470	4.586	40	30		FJEBRN
Cc1ccc(NC(=O)O/N=C(\c2ccccc2)[C@@H](O)c2ccccc2)cc1	ZINC000006923069	570656792	/nfs/dbraw/zinc/65/67/92/570656792.db2.gz	SNYCOZNMVPTUMF-VLBGROSNSA-N	0	0	360.413	4.681	40	30		FJEBRN
O=C(c1cccc(OC(F)F)c1)N1CCCS/C1=N\c1ccccc1	ZINC000003483729	570661905	/nfs/dbraw/zinc/66/19/05/570661905.db2.gz	LJGGVGTXZMMQGZ-UZYVYHOESA-N	0	0	362.401	4.555	40	30		FJEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C)c(OC)c3)nc1-2	ZINC000408722075	570675552	/nfs/dbraw/zinc/67/55/52/570675552.db2.gz	CZBUFQMBXRGXKN-WSDLNYQXSA-N	0	0	364.470	4.985	40	30		FJEBRN
O=C1c2ccccc2S/C1=C/c1ccc(I)cc1	ZINC000408720535	570675639	/nfs/dbraw/zinc/67/56/39/570675639.db2.gz	TXCLLHWGASNLIG-NTEUORMPSA-N	0	0	364.207	4.621	40	30		FJEBRN
COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c(OC)c1	ZINC000408723284	570677300	/nfs/dbraw/zinc/67/73/00/570677300.db2.gz	SPTGYBRBALRHFR-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
COc1cccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)c1	ZINC000408723422	570678333	/nfs/dbraw/zinc/67/83/33/570678333.db2.gz	UHRUDXXFKWORHE-CIAFOILYSA-N	0	0	350.443	4.677	40	30		FJEBRN
CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000005444137	570678459	/nfs/dbraw/zinc/67/84/59/570678459.db2.gz	WOCWNBLCPAYTAF-SFHVURJKSA-N	0	0	369.848	4.574	40	30		FJEBRN
CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl	ZINC000005444130	570678543	/nfs/dbraw/zinc/67/85/43/570678543.db2.gz	WLEIZGSKHQAVTM-GOSISDBHSA-N	0	0	369.848	4.574	40	30		FJEBRN
O=C(NCc1ccccc1)c1c2c(sc1/N=C\c1ccco1)CCCC2	ZINC000408771756	570685035	/nfs/dbraw/zinc/68/50/35/570685035.db2.gz	IOINLWAXOROFLE-UCQKPKSFSA-N	0	0	364.470	4.901	40	30		FJEBRN
COc1ccc([N+](=O)[O-])cc1/N=C\c1cccn1-c1ccc(Cl)cc1	ZINC000408808249	570688517	/nfs/dbraw/zinc/68/85/17/570688517.db2.gz	DRTLMHXDDSDTTK-NDENLUEZSA-N	0	0	355.781	4.798	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(SC)cc3)S2)cc1	ZINC000408754612	570690393	/nfs/dbraw/zinc/69/03/93/570690393.db2.gz	GLDYGBMLDVRTBK-ATVHPVEESA-N	0	0	354.500	4.863	40	30		FJEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1	ZINC000408757130	570690403	/nfs/dbraw/zinc/69/04/03/570690403.db2.gz	XETURFVCZQAVMH-UYRXBGFRSA-N	0	0	366.486	4.928	40	30		FJEBRN
Cc1c(/C=C2/SC(=Nc3ccccc3C)NC2=O)c2ccccc2n1C	ZINC000408842749	570691287	/nfs/dbraw/zinc/69/12/87/570691287.db2.gz	BAQQAILTJLJAPU-XDHOZWIPSA-N	0	0	361.470	4.687	40	30		FJEBRN
Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(N2CCCC2)o1	ZINC000408859476	570693458	/nfs/dbraw/zinc/69/34/58/570693458.db2.gz	URUOWUPMXRGTLK-NVMNQCDNSA-N	0	0	369.646	4.752	40	30		FJEBRN
CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1	ZINC000408889190	570695036	/nfs/dbraw/zinc/69/50/36/570695036.db2.gz	APMDLDPJOHDRCS-PDGQHHTCSA-N	0	0	352.459	4.613	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1C	ZINC000408882441	570695270	/nfs/dbraw/zinc/69/52/70/570695270.db2.gz	NEGGTVLMQYUZKH-MFOYZWKCSA-N	0	0	372.877	4.857	40	30		FJEBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000408909225	570697939	/nfs/dbraw/zinc/69/79/39/570697939.db2.gz	FTMHKEUYDTUSCA-YBFXNURJSA-N	0	0	366.333	4.517	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1	ZINC000408909402	570698042	/nfs/dbraw/zinc/69/80/42/570698042.db2.gz	HIZNJNHUFBYLOH-NFYBBCHUSA-N	0	0	366.486	4.936	40	30		FJEBRN
Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F	ZINC000408913448	570698761	/nfs/dbraw/zinc/69/87/61/570698761.db2.gz	URVNYTGPYNSBMR-MTJSOVHGSA-N	0	0	352.369	4.587	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccccc2O)C(=O)N1CC	ZINC000408916433	570699268	/nfs/dbraw/zinc/69/92/68/570699268.db2.gz	XLHZFYPBKQFGTK-BIXZQSIESA-N	0	0	352.459	4.579	40	30		FJEBRN
CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c1	ZINC000408916725	570699284	/nfs/dbraw/zinc/69/92/84/570699284.db2.gz	YVZWDNIYGCBYTC-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
CC/N=C1/S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C(=O)N1CC	ZINC000408931409	570700821	/nfs/dbraw/zinc/70/08/21/570700821.db2.gz	LGNXYXZYZOUGQW-CZLOEGHQSA-N	0	0	366.914	4.829	40	30		FJEBRN
CC(C)c1ccccc1/N=C/c1ccc(O)c(I)c1	ZINC000408961763	570703715	/nfs/dbraw/zinc/70/37/15/570703715.db2.gz	DVJFISMEQHIEHI-VCHYOVAHSA-N	0	0	365.214	4.871	40	30		FJEBRN
CCn1cccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O	ZINC000408967589	570705066	/nfs/dbraw/zinc/70/50/66/570705066.db2.gz	VZCKTDMBZLUHFQ-UKTHLTGXSA-N	0	0	366.273	4.706	40	30		FJEBRN
C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)CC)C1=O	ZINC000409010966	570712161	/nfs/dbraw/zinc/71/21/61/570712161.db2.gz	DZGWINYSBQQGQU-NFECSFHCSA-N	0	0	365.454	4.687	40	30		FJEBRN
CC1=NOC(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000409068640	570718411	/nfs/dbraw/zinc/71/84/11/570718411.db2.gz	SEQZGOYJAHXGON-PXNMLYILSA-N	0	0	362.212	4.889	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O	ZINC000409073535	570719837	/nfs/dbraw/zinc/71/98/37/570719837.db2.gz	ZSFMSSBDWYTBNE-KBVGCWLLSA-N	0	0	351.855	4.740	40	30		FJEBRN
C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	ZINC000409080823	570719888	/nfs/dbraw/zinc/71/98/88/570719888.db2.gz	OLLSJWYKQIUOFQ-BOPFTXTBSA-N	0	0	372.877	4.970	40	30		FJEBRN
Cc1ccc(COc2cccc(/C=C3/C(=O)ON=C3c3ccccc3)c2)cc1	ZINC000409086091	570719953	/nfs/dbraw/zinc/71/99/53/570719953.db2.gz	USPNWXKUUUQVHY-PXLXIMEGSA-N	0	0	369.420	4.919	40	30		FJEBRN
Fc1cc(C=[NH+][N-]c2ccc(C(F)(F)F)cn2)ccc1N1CCCCC1	ZINC000409091721	570721955	/nfs/dbraw/zinc/72/19/55/570721955.db2.gz	UACKNSHVVYWNJP-BHGWPJFGSA-N	0	0	366.362	4.676	40	30		FJEBRN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2C)NC1=O	ZINC000409089967	570722278	/nfs/dbraw/zinc/72/22/78/570722278.db2.gz	NWBIVWJMSWJFGR-BOPFTXTBSA-N	0	0	372.877	4.939	40	30		FJEBRN
C=CCOc1c(CC=C)cc(CNc2ccc(OC)cc2)cc1OCC	ZINC000409118383	570727850	/nfs/dbraw/zinc/72/78/50/570727850.db2.gz	PSIPVPKAVGCQRX-UHFFFAOYSA-N	0	0	353.462	4.999	40	30		FJEBRN
CC(C)/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1C(C)C	ZINC000409199112	570739020	/nfs/dbraw/zinc/73/90/20/570739020.db2.gz	BLQIGLBGJVMULC-WZMAMLOKSA-N	0	0	367.312	4.538	40	30		FJEBRN
COc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000409199257	570739779	/nfs/dbraw/zinc/73/97/79/570739779.db2.gz	AUMVFSWIDTZNEC-HMAPJEAMSA-N	0	0	362.385	4.933	40	30		FJEBRN
CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(C)cc1	ZINC000409257872	570746713	/nfs/dbraw/zinc/74/67/13/570746713.db2.gz	REMSOEUQYWIERS-UHFFFAOYSA-N	0	0	360.542	4.648	40	30		FJEBRN
COC(=O)c1cc(-c2ccc(C=NNc3ccccc3)o2)ccc1Cl	ZINC000409268738	570747136	/nfs/dbraw/zinc/74/71/36/570747136.db2.gz	YJSNIJHLMZAVKH-CIAFOILYSA-N	0	0	354.793	4.833	40	30		FJEBRN
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1	ZINC000010118791	570813369	/nfs/dbraw/zinc/81/33/69/570813369.db2.gz	BHBHHQALXFMHNB-CIAFOILYSA-N	0	0	355.781	4.632	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	ZINC000010118814	570813518	/nfs/dbraw/zinc/81/35/18/570813518.db2.gz	TZTFECGKLXFQRE-WSDLNYQXSA-N	0	0	369.808	4.940	40	30		FJEBRN
N#Cc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1Cl	ZINC000039955332	570837002	/nfs/dbraw/zinc/83/70/02/570837002.db2.gz	XEQYSRYEGJNAON-UHFFFAOYSA-N	0	0	363.635	4.953	40	30		FJEBRN
C/C(=N/O)c1ccc(OCCCCCOc2ccc(/C(C)=N\O)cc2)cc1	ZINC000013764741	570838534	/nfs/dbraw/zinc/83/85/34/570838534.db2.gz	XLOJHEJBSBNIGU-IDUDEYGOSA-N	0	0	370.449	4.711	40	30		FJEBRN
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C)cc1	ZINC000014087875	570843592	/nfs/dbraw/zinc/84/35/92/570843592.db2.gz	QZTKODVNXKXUAV-UHFFFAOYSA-N	0	0	351.475	4.644	40	30		FJEBRN
C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000014397899	570848776	/nfs/dbraw/zinc/84/87/76/570848776.db2.gz	SPVIBQDDOUWIEG-INIZCTEOSA-N	0	0	353.462	4.955	40	30		FJEBRN
CN1c2ccccc2C(C)(C)/C1=C/C=C(/N=C(C#N)C#N)c1ccccc1	ZINC000017108590	570868734	/nfs/dbraw/zinc/86/87/34/570868734.db2.gz	FMSWLENMEXUPAV-IDIAMYQHSA-N	0	0	352.441	4.827	40	30		FJEBRN
COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)[C@H](c3ccccc3)[C@H]1CC2	ZINC000018181160	570871734	/nfs/dbraw/zinc/87/17/34/570871734.db2.gz	TUABOXZEXOEAHC-FCXKASHQSA-N	0	0	360.457	4.511	40	30		FJEBRN
COc1cc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1O	ZINC000004921808	570919255	/nfs/dbraw/zinc/91/92/55/570919255.db2.gz	RHNLFYKCPOXZFN-ODCIPOBUSA-N	0	0	374.746	4.528	40	30		FJEBRN
Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(CC#N)cc1)CC(C)(C)O2	ZINC000225673685	571054772	/nfs/dbraw/zinc/05/47/72/571054772.db2.gz	PZHGGGKGUOCSHI-GOSISDBHSA-N	0	0	365.502	4.650	40	30		FJEBRN
C=C(CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1)OCC	ZINC000054361223	571056498	/nfs/dbraw/zinc/05/64/98/571056498.db2.gz	KFGUHMZXNXXVFN-UHFFFAOYSA-N	0	0	367.474	4.585	40	30		FJEBRN
C=CCc1cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc(OCC)c1O	ZINC000059249732	571088843	/nfs/dbraw/zinc/08/88/43/571088843.db2.gz	RMGHYDRHKFYCIF-WSDLNYQXSA-N	0	0	373.836	4.710	40	30		FJEBRN
O=[N+]([O-])c1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1	ZINC000059461368	571089557	/nfs/dbraw/zinc/08/95/57/571089557.db2.gz	DEAVLNIPSOYFSN-XOKFLVCFSA-N	0	0	367.386	4.785	40	30		FJEBRN
O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccnc1	ZINC000059461417	571089601	/nfs/dbraw/zinc/08/96/01/571089601.db2.gz	JBDUSOLELCTMEE-UHFFFAOYSA-N	0	0	371.223	4.998	40	30		FJEBRN
O=[N+]([O-])c1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1	ZINC000059461367	571089635	/nfs/dbraw/zinc/08/96/35/571089635.db2.gz	DEAVLNIPSOYFSN-JURCDDRXSA-N	0	0	367.386	4.785	40	30		FJEBRN
Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000059427141	571090827	/nfs/dbraw/zinc/09/08/27/571090827.db2.gz	UTIMONRJEWLMEG-HYARGMPZSA-N	0	0	362.433	4.819	40	30		FJEBRN
Cc1cc2c(cc1C)[C@](O)(C#Cc1ccccc1)c1c(C)ccc(C)c1C2=O	ZINC000005395769	571102759	/nfs/dbraw/zinc/10/27/59/571102759.db2.gz	FRMGFUBLZJXOMI-AREMUKBSSA-N	0	0	366.460	4.752	40	30		FJEBRN
C=C(C)CNC(=S)Nc1scc(-c2cccs2)c1C(=O)OCC	ZINC000005473883	571103033	/nfs/dbraw/zinc/10/30/33/571103033.db2.gz	HJGHHGDNPWBJPV-UHFFFAOYSA-N	0	0	366.533	4.516	40	30		FJEBRN
C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000006419489	571103770	/nfs/dbraw/zinc/10/37/70/571103770.db2.gz	YUHPUBWVKXVPIL-ZHACJKMWSA-N	0	0	365.414	4.576	40	30		FJEBRN
C=CCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1	ZINC000012366594	571118041	/nfs/dbraw/zinc/11/80/41/571118041.db2.gz	GDTQZNKBGMKGKX-UHFFFAOYSA-N	0	0	363.501	4.612	40	30		FJEBRN
C=CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000216777161	571141334	/nfs/dbraw/zinc/14/13/34/571141334.db2.gz	GRGQBQYUSUVCKK-UHFFFAOYSA-N	0	0	351.185	4.555	40	30		FJEBRN
CCc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1	ZINC000001222299	571172605	/nfs/dbraw/zinc/17/26/05/571172605.db2.gz	XXJPEJLYYBTWHG-UHFFFAOYSA-N	0	0	361.470	4.708	40	30		FJEBRN
FC(F)(F)C(F)(F)C(F)(F)COc1cccc(Br)c1	ZINC000072265783	571178462	/nfs/dbraw/zinc/17/84/62/571178462.db2.gz	HUWYPKKNQIVADP-UHFFFAOYSA-N	0	0	355.047	4.661	40	30		FJEBRN
CN(C)c1ccc(/C=N/c2nnc(SCc3ccccc3)s2)cc1	ZINC000100969637	571188556	/nfs/dbraw/zinc/18/85/56/571188556.db2.gz	YXUJNYOIRDDHNK-XDHOZWIPSA-N	0	0	354.504	4.647	40	30		FJEBRN
CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1	ZINC000102960630	571189003	/nfs/dbraw/zinc/18/90/03/571189003.db2.gz	OIEQPXQELOTWMY-YKMYIHFSSA-N	0	0	353.466	4.721	40	30		FJEBRN
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC	ZINC000299888470	571203968	/nfs/dbraw/zinc/20/39/68/571203968.db2.gz	KIQQMECNKUGGKA-GOMYTPFNSA-N	0	0	369.505	4.715	40	30		FJEBRN
Cc1nnc(Sc2ccc(C=Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])[nH]1	ZINC000006588358	571296843	/nfs/dbraw/zinc/29/68/43/571296843.db2.gz	RRUQRHAMDMZHBS-GIJQJNRQSA-N	0	0	373.825	4.577	40	30		FJEBRN
Cc1ccc(COc2ccc(C=NNc3nc4ccccc4n3C)cc2)cc1	ZINC000007343326	571298815	/nfs/dbraw/zinc/29/88/15/571298815.db2.gz	YKIJHGZLKGJKHD-BUVRLJJBSA-N	0	0	370.456	4.907	40	30		FJEBRN
COc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000008116663	571300503	/nfs/dbraw/zinc/30/05/03/571300503.db2.gz	ATXDHUYFUXGILU-HYARGMPZSA-N	0	0	362.385	4.933	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1OC	ZINC000008371747	571301100	/nfs/dbraw/zinc/30/11/00/571301100.db2.gz	HXORMUXAESOOGU-UDWIEESQSA-N	0	0	358.235	4.529	40	30		FJEBRN
C=CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc1	ZINC000033749821	571305908	/nfs/dbraw/zinc/30/59/08/571305908.db2.gz	RZJGYUZZBFYMNQ-UHFFFAOYSA-N	0	0	366.486	4.875	40	30		FJEBRN
C=CCN(CC=C)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000104685427	571306803	/nfs/dbraw/zinc/30/68/03/571306803.db2.gz	TVEGGAOVRXDGLV-UHFFFAOYSA-N	0	0	374.469	4.602	40	30		FJEBRN
COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1	ZINC000007939550	571310433	/nfs/dbraw/zinc/31/04/33/571310433.db2.gz	DMBIYPHAYGCYFE-ACCUITESSA-N	0	0	362.381	4.638	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1	ZINC000008362980	571310491	/nfs/dbraw/zinc/31/04/91/571310491.db2.gz	KRVKGKBWYDYYRK-QHHAONBESA-N	0	0	367.430	4.527	40	30		FJEBRN
Cc1ccc(COc2ccc(/C=N\OCC(=O)Nc3ccccc3)cc2)cc1	ZINC000033653637	571310682	/nfs/dbraw/zinc/31/06/82/571310682.db2.gz	YMMJRGQWUARELU-IWIPYMOSSA-N	0	0	374.440	4.563	40	30		FJEBRN
CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000409166078	571319506	/nfs/dbraw/zinc/31/95/06/571319506.db2.gz	CIZLVUUFOCPPQU-RRRJGDELSA-N	0	0	360.438	4.741	40	30		FJEBRN
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1	ZINC000225762885	571338167	/nfs/dbraw/zinc/33/81/67/571338167.db2.gz	MTSHNSMZTGVZCF-UHFFFAOYSA-N	0	0	352.409	4.547	40	30		FJEBRN
CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225833264	571338515	/nfs/dbraw/zinc/33/85/15/571338515.db2.gz	PHFDMQYKMAROEU-IERDGZPVSA-N	0	0	358.482	4.517	40	30		FJEBRN
Cc1ccccc1Cn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N	ZINC000225844628	571338627	/nfs/dbraw/zinc/33/86/27/571338627.db2.gz	CTGHHBWUDNSCRS-UHFFFAOYSA-N	0	0	374.488	4.705	40	30		FJEBRN
O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)OC(F)(F)F	ZINC000003151293	571345148	/nfs/dbraw/zinc/34/51/48/571345148.db2.gz	FRHCQSBLZIFEKX-UHFFFAOYSA-N	0	0	374.039	4.696	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)c(C#N)cc2c1	ZINC000004125300	571355741	/nfs/dbraw/zinc/35/57/41/571355741.db2.gz	DMVWMGSHHCKLGI-UHFFFAOYSA-N	0	0	367.861	4.799	40	30		FJEBRN
Cc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1	ZINC000004125280	571355754	/nfs/dbraw/zinc/35/57/54/571355754.db2.gz	ILBRVLBHMUWGFA-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1Cl	ZINC000216032790	222658150	/nfs/dbraw/zinc/65/81/50/222658150.db2.gz	MDTKYZQMVSQJSR-UHFFFAOYSA-N	0	0	354.866	4.782	40	30		FJEBRN
CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1Br	ZINC000000809033	219324256	/nfs/dbraw/zinc/32/42/56/219324256.db2.gz	QEAOWOBAUIEUNX-KEBDBYFISA-N	0	0	374.307	4.688	40	30		FJEBRN
O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1	ZINC000032190510	209848415	/nfs/dbraw/zinc/84/84/15/209848415.db2.gz	CQPFVILQKOEINR-ODLFYWEKSA-N	0	0	364.386	4.911	40	30		FJEBRN
Cc1cccc(Cn2nc(OCc3cc(C(C)C)ccc3C)c(C#N)c2N)c1	ZINC000225845459	209840181	/nfs/dbraw/zinc/84/01/81/209840181.db2.gz	BYAYBUZSGMJNPA-UHFFFAOYSA-N	0	0	374.488	4.705	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C#N)c1	ZINC000225852815	209840029	/nfs/dbraw/zinc/84/00/29/209840029.db2.gz	FLDRGPVVJFUIFW-UHFFFAOYSA-N	0	0	358.482	4.805	40	30		FJEBRN
CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C#N)c1	ZINC000225823795	209838382	/nfs/dbraw/zinc/83/83/82/209838382.db2.gz	ZPMCSDNFITYZEZ-UHFFFAOYSA-N	0	0	360.498	4.763	40	30		FJEBRN
CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C#N	ZINC000225683462	209828097	/nfs/dbraw/zinc/82/80/97/209828097.db2.gz	DXHLZPMVAWOSEW-UHFFFAOYSA-N	0	0	366.436	4.937	40	30		FJEBRN
CCOc1cc(Br)cc(/C=N/c2cc(C)cc(C)c2O)c1O	ZINC000001230768	219391343	/nfs/dbraw/zinc/39/13/43/219391343.db2.gz	NRVPEHVMUINYAB-DJKKODMXSA-N	0	0	364.239	4.626	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000225578644	222851929	/nfs/dbraw/zinc/85/19/29/222851929.db2.gz	UWAZPLCHPOLKMF-SFHVURJKSA-N	0	0	368.502	4.840	40	30		FJEBRN
C=CCOc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1	ZINC000225704998	222862000	/nfs/dbraw/zinc/86/20/00/222862000.db2.gz	XPPKJDRPZPGIMO-HXUWFJFHSA-N	0	0	368.502	4.624	40	30		FJEBRN
C=CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1	ZINC000225934745	222880544	/nfs/dbraw/zinc/88/05/44/222880544.db2.gz	MYUAXKACMCLRDH-UHFFFAOYSA-N	0	0	358.441	4.591	40	30		FJEBRN
COc1ccc(/C=N/c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn32)cc1	ZINC000004714804	219599520	/nfs/dbraw/zinc/59/95/20/219599520.db2.gz	RNPGAEIPMNHEGM-HYARGMPZSA-N	0	0	372.384	4.669	40	30		FJEBRN
Cc1cc(C)c2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)c(C#N)cc2c1	ZINC000004849179	219613838	/nfs/dbraw/zinc/61/38/38/219613838.db2.gz	MILHJYYKQDGODH-KSSFIOAISA-N	0	0	367.518	4.510	40	30		FJEBRN
O=C(ON=C1CSc2sc(=S)sc2SC1)c1ccccc1	ZINC000005601892	219691098	/nfs/dbraw/zinc/69/10/98/219691098.db2.gz	QTCOWCITTYCLEJ-UHFFFAOYSA-N	0	0	371.555	4.950	40	30		FJEBRN
CCOc1cccc(C=NNc2cc(C(F)(F)F)ccc2Cl)c1O	ZINC000004919844	209432452	/nfs/dbraw/zinc/43/24/52/209432452.db2.gz	MCDUQZDFTWZNQQ-ZVBGSRNCSA-N	0	0	358.747	4.909	40	30		FJEBRN
Cc1cccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc12	ZINC000001223895	209386168	/nfs/dbraw/zinc/38/61/68/209386168.db2.gz	OQCAHVUKIGRXBU-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccccn1	ZINC000000924055	209381295	/nfs/dbraw/zinc/38/12/95/209381295.db2.gz	QAGFJNWGFXTXEF-JOCHJYFZSA-N	0	0	355.441	4.939	40	30		FJEBRN
CCCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N	ZINC000000872076	209380747	/nfs/dbraw/zinc/38/07/47/209380747.db2.gz	QEPBRDJMJUTYMG-UHFFFAOYSA-N	0	0	355.463	4.536	40	30		FJEBRN
N#Cc1cccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c1	ZINC000329025749	223129106	/nfs/dbraw/zinc/12/91/06/223129106.db2.gz	PINXENWOYWYGGF-UHFFFAOYSA-N	0	0	374.753	4.853	40	30		FJEBRN
CCCCCCCCCCOC(=O)N1C(=O)NC(=O)[C@@H]1c1ccccc1	ZINC000104136808	209258514	/nfs/dbraw/zinc/25/85/14/209258514.db2.gz	MPKPNUYTYIQPJX-KRWDZBQOSA-N	0	0	360.454	4.557	40	30		FJEBRN
C=CCO/N=C(\CCC)C1/C(=N/OCC)CC(C)(C)C/C1=N/OCC	ZINC000102909768	209243772	/nfs/dbraw/zinc/24/37/72/209243772.db2.gz	VVKYCMXPCMOVKQ-KRLWORMYSA-N	0	0	351.491	4.566	40	30		FJEBRN
N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000014908499	220134848	/nfs/dbraw/zinc/13/48/48/220134848.db2.gz	ADYRYAKBLFHPMJ-UHFFFAOYSA-N	0	0	358.241	4.848	40	30		FJEBRN
O=[N+]([O-])c1ccc(Cl)c(C=NN=c2[nH]c3ccccc3s2)c1Cl	ZINC000016545379	220186914	/nfs/dbraw/zinc/18/69/14/220186914.db2.gz	VHGCUUYCLNWCJE-IDUWFGFVSA-N	0	0	367.217	4.957	40	30		FJEBRN
N#Cc1c(N)n(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl	ZINC000039955324	206660257	/nfs/dbraw/zinc/66/02/57/206660257.db2.gz	LNUOFSIEMWGLJT-UHFFFAOYSA-N	0	0	363.635	4.953	40	30		FJEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(Oc3ccccc3F)CC1)C2	ZINC000019460717	220261147	/nfs/dbraw/zinc/26/11/47/220261147.db2.gz	JGESHDRSJPUELM-OPAMFIHVSA-N	0	0	357.469	4.578	40	30		FJEBRN
C=C[C@@]12CCC[C@@H]1N(Cc1ccccc1)[C@H](P(=O)(OCC)OCC)O2	ZINC000212418958	206767780	/nfs/dbraw/zinc/76/77/80/206767780.db2.gz	SZHITIQZSDZKPP-GBESFXJTSA-N	0	0	365.410	4.546	40	30		FJEBRN
C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccccc1OC(F)F	ZINC000004872025	207057374	/nfs/dbraw/zinc/05/73/74/207057374.db2.gz	BRZBEIWEUZSNKD-LPYMAVHISA-N	0	0	363.433	4.615	40	30		FJEBRN
O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1	ZINC000004946177	207064951	/nfs/dbraw/zinc/06/49/51/207064951.db2.gz	KTNRRBCMGRKMIA-IBGZPJMESA-N	0	0	361.357	4.672	40	30		FJEBRN
Cc1[nH]c2ccccc2c1CN=Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000005258702	207089760	/nfs/dbraw/zinc/08/97/60/207089760.db2.gz	GPEAWZIUTHJSKC-ZVBGSRNCSA-N	0	0	362.311	4.849	40	30		FJEBRN
COc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1	ZINC000005551502	207104762	/nfs/dbraw/zinc/10/47/62/207104762.db2.gz	PRJQLKORJHGGCI-CPNJWEJPSA-N	0	0	360.438	4.740	40	30		FJEBRN
COc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1	ZINC000035289038	207114144	/nfs/dbraw/zinc/11/41/44/207114144.db2.gz	GWBHQEQPHXMAGN-UHFFFAOYSA-N	0	0	368.845	4.743	40	30		FJEBRN
CC(C)c1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1	ZINC000035288882	207116138	/nfs/dbraw/zinc/11/61/38/207116138.db2.gz	PEIKVJHPTLVHNR-UHFFFAOYSA-N	0	0	367.518	4.771	40	30		FJEBRN
C=CCOc1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1	ZINC000020485464	220330031	/nfs/dbraw/zinc/33/00/31/220330031.db2.gz	BVTNEGAVOOHJIA-UHFFFAOYSA-N	0	0	369.461	4.620	40	30		FJEBRN
Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2cc1C	ZINC000034791490	220762447	/nfs/dbraw/zinc/76/24/47/220762447.db2.gz	YNTUASDCEZUAPL-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
N#Cc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccc(C(F)(F)F)cc1	ZINC000039955274	220866504	/nfs/dbraw/zinc/86/65/04/220866504.db2.gz	NRHLGOPTZYEDQI-UHFFFAOYSA-N	0	0	362.742	4.665	40	30		FJEBRN
CC(=NN=C(N=NC(C)C(C)(C)C)N=NC(C)C(C)(C)C)C(C)(C)C	ZINC000059102679	221124153	/nfs/dbraw/zinc/12/41/53/221124153.db2.gz	HEZGZNOTYZIOPR-LHHAKPDNSA-N	0	0	350.555	4.788	40	30		FJEBRN
COc1cccc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)c1	ZINC000059488402	221126747	/nfs/dbraw/zinc/12/67/47/221126747.db2.gz	GNKYWIIYSKCCEO-CPNJWEJPSA-N	0	0	360.438	4.740	40	30		FJEBRN
Brc1cccc(/C=C/C=N/c2ccc(N3CCOCC3)cc2)c1	ZINC000004712818	132254970	/nfs/dbraw/zinc/25/49/70/132254970.db2.gz	LHBPIOSCCWAVCF-ZWPYRXLESA-N	0	0	371.278	4.701	40	30		FJEBRN
CC1=CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21	ZINC000208436191	132268737	/nfs/dbraw/zinc/26/87/37/132268737.db2.gz	CMTAZHREILSPHA-FYJGNVAPSA-N	0	0	350.422	4.673	40	30		FJEBRN
C[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1	ZINC000001612172	132382319	/nfs/dbraw/zinc/38/23/19/132382319.db2.gz	PSFHMFHSQQOEFX-HSZRJFAPSA-N	0	0	367.408	4.783	40	30		FJEBRN
CCCCCCCC1=C(N)c2ccc(OCC(F)(F)F)cc2S1=O	ZINC000098008938	222220953	/nfs/dbraw/zinc/22/09/53/222220953.db2.gz	XMNCAQIBWYCCOV-UHFFFAOYSA-N	0	0	361.429	4.737	40	30		FJEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(Cl)cc1Cl	ZINC000100163091	222238557	/nfs/dbraw/zinc/23/85/57/222238557.db2.gz	GOQFWMCYNCJDIL-HKWRFOASSA-N	0	0	352.217	4.618	40	30		FJEBRN
CCOc1ccc2c(c1)C(=O)C(=CNCCc1c[nH]c3ccccc13)S2	ZINC000101631734	222279441	/nfs/dbraw/zinc/27/94/41/222279441.db2.gz	CTJCLEQWLFWVDB-DEDYPNTBSA-N	0	0	364.470	4.529	40	30		FJEBRN
CC(=O)Nc1ccc(/N=C2/c3ccccc3-c3ccc(NC(C)=O)cc32)cc1	ZINC000104261964	222353671	/nfs/dbraw/zinc/35/36/71/222353671.db2.gz	JZGWSAUNDDJCIE-RWEWTDSWSA-N	0	0	369.424	4.753	40	30		FJEBRN
CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccco2)C2=C1CC(C)(C)CC2=O	ZINC000005727702	263342900	/nfs/dbraw/zinc/34/29/00/263342900.db2.gz	MHZRODBULKJPIM-UHFFFAOYSA-N	0	0	353.462	4.595	40	30		FJEBRN
COc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)c1OC	ZINC000007449768	263351377	/nfs/dbraw/zinc/35/13/77/263351377.db2.gz	JINXGGQCVZSRLH-NRFANRHFSA-N	0	0	367.470	4.970	40	30		FJEBRN
COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c1C	ZINC000059679416	263422153	/nfs/dbraw/zinc/42/21/53/263422153.db2.gz	OVHUHBJUNYPXCI-LPYMAVHISA-N	0	0	352.821	4.976	40	30		FJEBRN
C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118931307	263453787	/nfs/dbraw/zinc/45/37/87/263453787.db2.gz	OXHFKWFVXTYEGN-CLTXQNHDSA-N	0	0	374.565	4.514	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F	ZINC000408707683	263487045	/nfs/dbraw/zinc/48/70/45/263487045.db2.gz	QMANNGVFVBYRFD-UHFFFAOYSA-N	0	0	356.869	4.675	40	30		FJEBRN
FC(F)(F)c1ccc(N=NCc2cccn2-c2ccc(Cl)cc2)nc1	ZINC000408937439	263509286	/nfs/dbraw/zinc/50/92/86/263509286.db2.gz	GOPXEHKLBIIEKH-KSEXSDGBSA-N	0	0	364.758	4.991	40	30		FJEBRN
C/N=C1/S/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1C	ZINC000408975169	263513198	/nfs/dbraw/zinc/51/31/98/263513198.db2.gz	ITINVEHTVMZGAR-NNBJUWIKSA-N	0	0	367.257	4.785	40	30		FJEBRN
CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccncc1	ZINC000409052179	263520338	/nfs/dbraw/zinc/52/03/38/263520338.db2.gz	IPKRCEYFDJLLPH-RGVLZGJSSA-N	0	0	373.279	4.804	40	30		FJEBRN
COc1cc(C(=O)C=CNc2ccc(C(C)C)cc2)cc(OC)c1OC	ZINC000409061702	263521879	/nfs/dbraw/zinc/52/18/79/263521879.db2.gz	GHVKMLMUPLPLTI-ZHACJKMWSA-N	0	0	355.434	4.644	40	30		FJEBRN
C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O	ZINC000409108311	263527160	/nfs/dbraw/zinc/52/71/60/263527160.db2.gz	ZXCCJDOUOJOYEI-LDADJPATSA-N	0	0	369.417	4.627	40	30		FJEBRN
O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccccc1)c1ccccc1	ZINC000409200962	263540737	/nfs/dbraw/zinc/54/07/37/263540737.db2.gz	KRCRSGZESJICAX-KGENOOAVSA-N	0	0	371.845	4.858	40	30		FJEBRN
CCOc1ccccc1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O	ZINC000409230717	263543535	/nfs/dbraw/zinc/54/35/35/263543535.db2.gz	FRJXISGRLWOTFQ-OUUNKBNMSA-N	0	0	370.449	4.848	40	30		FJEBRN
COC(=O)c1cccc(/N=C/c2ccc(N3CCCCC3)cc2OC)c1C	ZINC000409243125	263546388	/nfs/dbraw/zinc/54/63/88/263546388.db2.gz	YSRSAVOYNWIVFC-HZHRSRAPSA-N	0	0	366.461	4.531	40	30		FJEBRN
C#CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O	ZINC000409246498	263546679	/nfs/dbraw/zinc/54/66/79/263546679.db2.gz	CAAZCAQDRPDUOV-AQTBWJFISA-N	0	0	365.479	4.816	40	30		FJEBRN
CC(=NOC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1	ZINC000005745317	518469998	/nfs/dbraw/zinc/46/99/98/518469998.db2.gz	DOULZZIONLJMAX-FSJBWODESA-N	0	0	364.323	4.821	40	30		FJEBRN
C/C(CC(=O)c1ccccc1)=N\CCC/N=C(\C)CC(=O)c1ccccc1	ZINC000103061331	518473945	/nfs/dbraw/zinc/47/39/45/518473945.db2.gz	FQQYERHFBVGNBV-SIHVKLMXSA-N	0	0	362.473	4.844	40	30		FJEBRN
C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225043454	518802899	/nfs/dbraw/zinc/80/28/99/518802899.db2.gz	IQLGOOXQPKHRTE-UHFFFAOYSA-N	0	0	351.471	4.838	40	30		FJEBRN
C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1	ZINC000224686006	518804723	/nfs/dbraw/zinc/80/47/23/518804723.db2.gz	KKYGXQYSSMMGAV-UHFFFAOYSA-N	0	0	356.274	4.683	40	30		FJEBRN
C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224928003	518808879	/nfs/dbraw/zinc/80/88/79/518808879.db2.gz	VOSMTHQEGJPYMB-UHFFFAOYSA-N	0	0	370.301	4.992	40	30		FJEBRN
C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000224973810	518808986	/nfs/dbraw/zinc/80/89/86/518808986.db2.gz	DKEBJFIZQFDOOV-UHFFFAOYSA-N	0	0	361.532	4.913	40	30		FJEBRN
C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1	ZINC000224920390	518810458	/nfs/dbraw/zinc/81/04/58/518810458.db2.gz	GJWKWYDRIPFFSB-UHFFFAOYSA-N	0	0	360.237	4.514	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)(C)C)c1	ZINC000224507179	518935470	/nfs/dbraw/zinc/93/54/70/518935470.db2.gz	IRQKXXOIHCZORH-UHFFFAOYSA-N	0	0	367.489	4.878	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2C)c1	ZINC000224606398	518935706	/nfs/dbraw/zinc/93/57/06/518935706.db2.gz	CIVQNUMODDGHAF-UHFFFAOYSA-N	0	0	353.462	4.505	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)c(C)c2)c1	ZINC000224540058	518935799	/nfs/dbraw/zinc/93/57/99/518935799.db2.gz	GUTJAOPOKZUWMT-UHFFFAOYSA-N	0	0	359.853	4.542	40	30		FJEBRN
C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)C)c1	ZINC000224562417	518936166	/nfs/dbraw/zinc/93/61/66/518936166.db2.gz	SGPAOBINHJGIKB-UHFFFAOYSA-N	0	0	353.462	4.704	40	30		FJEBRN
C=CCOc1ccc(NC(=S)NCCSCc2ccccc2C)cc1	ZINC000225362458	519041606	/nfs/dbraw/zinc/04/16/06/519041606.db2.gz	KVFRQMLNKKNVLO-UHFFFAOYSA-N	0	0	372.559	4.780	40	30		FJEBRN
C=CCOc1cccc(NC(=S)NCCSC2CCCCC2)c1	ZINC000225358931	519058025	/nfs/dbraw/zinc/05/80/25/519058025.db2.gz	CPJKYDGCSIOACO-UHFFFAOYSA-N	0	0	350.553	4.604	40	30		FJEBRN
C=CCSc1ccccc1C(=O)NCCOc1cccc2ccccc21	ZINC000223559379	519077303	/nfs/dbraw/zinc/07/73/03/519077303.db2.gz	FYWRKYSKTOXWED-UHFFFAOYSA-N	0	0	363.482	4.927	40	30		FJEBRN
C=CCc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1OC	ZINC000224126944	519128708	/nfs/dbraw/zinc/12/87/08/519128708.db2.gz	CYXNMCODZQVBBT-UHFFFAOYSA-N	0	0	367.489	4.530	40	30		FJEBRN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1	ZINC000036631349	519186185	/nfs/dbraw/zinc/18/61/85/519186185.db2.gz	RLMZJONRGMWBHP-UHFFFAOYSA-N	0	0	371.893	4.989	40	30		FJEBRN
C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1cccc(C)c1	ZINC000014091781	519192337	/nfs/dbraw/zinc/19/23/37/519192337.db2.gz	FZLYHBRGTITSRN-UHFFFAOYSA-N	0	0	365.502	4.664	40	30		FJEBRN
C=C[C@@H](CC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000016926641	519293624	/nfs/dbraw/zinc/29/36/24/519293624.db2.gz	PBVVVCSDMBFICK-QIQQCEGHSA-N	0	0	354.366	4.651	40	30		FJEBRN
CC(/C=C\c1ccccc1)=N\NC(=S)N/N=C(C)\C=C/c1ccccc1	ZINC000104312585	519348034	/nfs/dbraw/zinc/34/80/34/519348034.db2.gz	HUYRYEFQLRCGGD-TUTGEMHWSA-N	0	0	362.502	4.629	40	30		FJEBRN
CCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1	ZINC000017044870	519861113	/nfs/dbraw/zinc/86/11/13/519861113.db2.gz	YOYNMFXOWHXUMO-MFVIGFRPSA-N	0	0	354.366	4.784	40	30		FJEBRN
CCCc1sc(N=NCc2ccccn2)nc1-c1cc(C)ccc1C	ZINC000019894524	521611663	/nfs/dbraw/zinc/61/16/63/521611663.db2.gz	YLNYUVLPIJNZIX-LPYMAVHISA-N	0	0	350.491	4.642	40	30		FJEBRN
COc1cc(/C=C/C(=O)c2sc(Nc3ccccc3)nc2C)ccc1O	ZINC000005552249	521941168	/nfs/dbraw/zinc/94/11/68/521941168.db2.gz	OFVZCBQTOWOILR-PKNBQFBNSA-N	0	0	366.442	4.805	40	30		FJEBRN
COc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1OC	ZINC000013586074	523362249	/nfs/dbraw/zinc/36/22/49/523362249.db2.gz	DZFNYPXMBNJFSL-SRZZPIQSSA-N	0	0	353.249	4.524	40	30		FJEBRN
COc1ccc(/C=C(/C(=O)c2ccc(O)cc2)c2ccccc2)cc1OC	ZINC000004963834	523380038	/nfs/dbraw/zinc/38/00/38/523380038.db2.gz	NRQNZLFTAAQUHD-XSFVSMFZSA-N	0	0	360.409	4.833	40	30		FJEBRN
COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000017861622	523467613	/nfs/dbraw/zinc/46/76/13/523467613.db2.gz	PIPQUEPAGSEIKH-HZHRSRAPSA-N	0	0	361.397	4.674	40	30		FJEBRN
CCc1ccc(NC(=O)[C@H](C)O/N=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000005752707	523990028	/nfs/dbraw/zinc/99/00/28/523990028.db2.gz	HLKGELICHQCPIE-PFRBSUFTSA-N	0	0	352.478	4.924	40	30		FJEBRN
Cc1ccc(SCCCNC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225587312	525656234	/nfs/dbraw/zinc/65/62/34/525656234.db2.gz	CWVIVYWAPLZBEL-UHFFFAOYSA-N	0	0	355.532	4.530	40	30		FJEBRN
Cc1ccc(C(Cc2ccccc2)=NOC(=O)Nc2ccccc2)c(O)c1	ZINC000005542517	525941931	/nfs/dbraw/zinc/94/19/31/525941931.db2.gz	ZCPIQDIEKZEEPT-HIXSDJFHSA-N	0	0	360.413	4.896	40	30		FJEBRN
C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225659239	526257426	/nfs/dbraw/zinc/25/74/26/526257426.db2.gz	XCTJJJCUEJJSCX-MRXNPFEDSA-N	0	0	351.519	4.795	40	30		FJEBRN
O=C(O/N=C(\c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1	ZINC000004867069	526412389	/nfs/dbraw/zinc/41/23/89/526412389.db2.gz	BVUYZMGFPSBKAO-PTGBLXJZSA-N	0	0	371.223	4.998	40	30		FJEBRN
Cc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002329188	570519170	/nfs/dbraw/zinc/51/91/70/570519170.db2.gz	NLHKNCZHBLGEBI-OCKHKDLRSA-N	0	0	363.273	4.731	40	30		FJEBRN
Fc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002351402	570519708	/nfs/dbraw/zinc/51/97/08/570519708.db2.gz	JOIOFLQSSHQKBC-UWVJOHFNSA-N	0	0	367.236	4.562	40	30		FJEBRN
Fc1cc(Br)cc(F)c1OC(F)(F)[C@H](F)C(F)(F)F	ZINC000002575684	570525591	/nfs/dbraw/zinc/52/55/91/570525591.db2.gz	QSAUPLUHLMXWHD-SSDOTTSWSA-N	0	0	359.010	4.599	40	30		FJEBRN
CCc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1	ZINC000004848953	570534488	/nfs/dbraw/zinc/53/44/88/570534488.db2.gz	WINKLGNOWNXBTQ-UHFFFAOYSA-N	0	0	365.433	4.539	40	30		FJEBRN
Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(C)c1	ZINC000004849025	570534950	/nfs/dbraw/zinc/53/49/50/570534950.db2.gz	OUFFMGYGKPVFRI-UHFFFAOYSA-N	0	0	361.470	4.763	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2c1C	ZINC000004849100	570535208	/nfs/dbraw/zinc/53/52/08/570535208.db2.gz	TUQLCCJHHYKINJ-UHFFFAOYSA-N	0	0	365.433	4.593	40	30		FJEBRN
Cc1ccc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2c1C	ZINC000004849130	570535892	/nfs/dbraw/zinc/53/58/92/570535892.db2.gz	FMAYWHWQMPNKOC-UHFFFAOYSA-N	0	0	362.454	4.559	40	30		FJEBRN
C=CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br	ZINC000408554974	570551454	/nfs/dbraw/zinc/55/14/54/570551454.db2.gz	FHNXPOMSYAOFRR-UHFFFAOYSA-N	0	0	363.211	4.534	40	30		FJEBRN
CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)=C2O)ccc1O	ZINC000408563972	570557385	/nfs/dbraw/zinc/55/73/85/570557385.db2.gz	TUOPZATWFARGQO-XTPUDKEYSA-N	0	0	356.340	4.692	40	30		FJEBRN
Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408591146	570572324	/nfs/dbraw/zinc/57/23/24/570572324.db2.gz	ISNVUUURNSPJRT-MFKUBSTISA-N	0	0	372.472	4.583	40	30		FJEBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OCc2ccccc2C#N)o1	ZINC000408591701	570572721	/nfs/dbraw/zinc/57/27/21/570572721.db2.gz	JZKRVHAALWDMTM-UUYOSTAYSA-N	0	0	361.357	4.586	40	30		FJEBRN
CCOc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1	ZINC000408592184	570573136	/nfs/dbraw/zinc/57/31/36/570573136.db2.gz	LLJMWZVNSYSPRV-MFKUBSTISA-N	0	0	373.456	4.915	40	30		FJEBRN
Brc1cc(C=NNc2ccccc2)c(Br)s1	ZINC000004088549	570575568	/nfs/dbraw/zinc/57/55/68/570575568.db2.gz	CXRZFZMJOCZRAM-VGOFMYFVSA-N	0	0	360.074	4.719	40	30		FJEBRN
CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408605970	570578099	/nfs/dbraw/zinc/57/80/99/570578099.db2.gz	ZOBQZEWRMDHSDF-VVTMIQRTSA-N	0	0	352.459	4.756	40	30		FJEBRN
CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC(C)CC1	ZINC000225856810	570608685	/nfs/dbraw/zinc/60/86/85/570608685.db2.gz	APYSKLXFAGMMQC-UHFFFAOYSA-N	0	0	358.482	4.659	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1	ZINC000225490211	570609043	/nfs/dbraw/zinc/60/90/43/570609043.db2.gz	BTKNEUQCAJQHJF-IBGZPJMESA-N	0	0	356.491	4.698	40	30		FJEBRN
C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1	ZINC000225578710	570609050	/nfs/dbraw/zinc/60/90/50/570609050.db2.gz	YOGAWUCYSTZJQF-SFHVURJKSA-N	0	0	368.502	4.840	40	30		FJEBRN
Oc1ccc2oc3c(c2c1/C=N/c1ccc(Br)cn1)CCCC3	ZINC000005394903	570626260	/nfs/dbraw/zinc/62/62/60/570626260.db2.gz	FJXBGBIGMDEKAI-UFFVCSGVSA-N	0	0	371.234	4.925	40	30		FJEBRN
C=CCO/N=C(\CCC)C1=C(OC)C[C@@H](C[C@@H](C)SCC)CC1=O	ZINC000005417233	570626740	/nfs/dbraw/zinc/62/67/40/570626740.db2.gz	UQZVHDPICKDZDC-OAZZHIDZSA-N	0	0	353.528	4.756	40	30		FJEBRN
CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1N(CC)CC	ZINC000005499441	570628731	/nfs/dbraw/zinc/62/87/31/570628731.db2.gz	BXNANXUCFVOCKP-UHFFFAOYSA-N	0	0	371.506	4.739	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	ZINC000408707988	570659227	/nfs/dbraw/zinc/65/92/27/570659227.db2.gz	UNVGBUNCWBTDCA-UHFFFAOYSA-N	0	0	356.869	4.675	40	30		FJEBRN
CCCCCCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1	ZINC000408710258	570661874	/nfs/dbraw/zinc/66/18/74/570661874.db2.gz	VDXFHAOGQNIMSW-UHFFFAOYSA-N	0	0	366.590	4.964	40	30		FJEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C)c(OC)c3)sc1CC2	ZINC000408722359	570675968	/nfs/dbraw/zinc/67/59/68/570675968.db2.gz	HPPOSRFTSVZUKI-WSDLNYQXSA-N	0	0	364.470	4.985	40	30		FJEBRN
Cc1cccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1	ZINC000408721928	570676580	/nfs/dbraw/zinc/67/65/80/570676580.db2.gz	BKULSDMVEGXARF-LNVKXUELSA-N	0	0	374.396	4.707	40	30		FJEBRN
CCOc1ccc2cc(C3=CC(=NNc4ccc(C)cc4)C(=O)O3)ccc2c1	ZINC000408724548	570678507	/nfs/dbraw/zinc/67/85/07/570678507.db2.gz	BIDJZCAEYZMXJA-DAFNUICNSA-N	0	0	372.424	4.913	40	30		FJEBRN
O/N=C(\c1ccccc1)c1ccc2c3c(ccc2Br)CCc31	ZINC000008628521	570683683	/nfs/dbraw/zinc/68/36/83/570683683.db2.gz	WMMBKSROIVZPRM-XUTLUUPISA-N	0	0	352.231	4.928	40	30		FJEBRN
COc1ccc(/C=C/C(C)=N/NC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000008655837	570684160	/nfs/dbraw/zinc/68/41/60/570684160.db2.gz	KQMTYAWBTIHDOH-WYYKBDRYSA-N	0	0	359.882	4.724	40	30		FJEBRN
COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1OC	ZINC000408733795	570684207	/nfs/dbraw/zinc/68/42/07/570684207.db2.gz	RHOYFUFOVAUYQZ-ZVHZXABRSA-N	0	0	358.441	4.975	40	30		FJEBRN
COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1Cl	ZINC000408776327	570685558	/nfs/dbraw/zinc/68/55/58/570685558.db2.gz	NRXARLFIHUKSPP-LICLKQGHSA-N	0	0	372.877	4.857	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3F)c2C)cc1	ZINC000408741288	570687604	/nfs/dbraw/zinc/68/76/04/570687604.db2.gz	ICLMGKIBVUQLAP-YDZHTSKRSA-N	0	0	350.393	4.770	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C	ZINC000408800467	570687804	/nfs/dbraw/zinc/68/78/04/570687804.db2.gz	MPYIFYOQYOSOLB-IWIPYMOSSA-N	0	0	364.489	4.882	40	30		FJEBRN
Cc1c(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1C	ZINC000408806545	570687820	/nfs/dbraw/zinc/68/78/20/570687820.db2.gz	BEPBEVDDYFHAFR-UNOMPAQXSA-N	0	0	361.470	4.687	40	30		FJEBRN
C[C@@H](NC(=O)COc1ccc(/C=N\c2ccccc2)cc1)c1ccccc1	ZINC000408806263	570688253	/nfs/dbraw/zinc/68/82/53/570688253.db2.gz	IMNADADMBZLMOQ-GJQHCVRFSA-N	0	0	358.441	4.693	40	30		FJEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNN(c1ccccc1)c1ccccc1	ZINC000408742242	570688211	/nfs/dbraw/zinc/68/82/11/570688211.db2.gz	VNRHUZXWSNMTGK-PCCDRTMGSA-N	0	0	368.440	4.849	40	30		FJEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1	ZINC000408742834	570688277	/nfs/dbraw/zinc/68/82/77/570688277.db2.gz	QAVYCNNZCFBUDU-YDZHTSKRSA-N	0	0	350.393	4.770	40	30		FJEBRN
CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1	ZINC000408815638	570689275	/nfs/dbraw/zinc/68/92/75/570689275.db2.gz	XLPKGQFMJXWPRW-FBHDLOMBSA-N	0	0	365.260	4.647	40	30		FJEBRN
C=CCN1C(=O)C(=Cc2ccc(-c3cccc(C(C)=O)c3)o2)SC1=S	ZINC000408817541	570689430	/nfs/dbraw/zinc/68/94/30/570689430.db2.gz	XXMNYLHXEKTNQM-BOPFTXTBSA-N	0	0	369.467	4.536	40	30		FJEBRN
Cc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1	ZINC000408757080	570690523	/nfs/dbraw/zinc/69/05/23/570690523.db2.gz	ZMKSBCXPNKOQCB-GDNBJRDFSA-N	0	0	373.275	4.649	40	30		FJEBRN
COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)c1	ZINC000408844937	570691681	/nfs/dbraw/zinc/69/16/81/570691681.db2.gz	DNSHVQKXRXALMR-MFOYZWKCSA-N	0	0	372.877	4.857	40	30		FJEBRN
Fc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c(F)c1	ZINC000408849818	570692442	/nfs/dbraw/zinc/69/24/42/570692442.db2.gz	ZMUCAWFSVBMLFY-DJKKODMXSA-N	0	0	355.182	4.671	40	30		FJEBRN
CCCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OCC	ZINC000408905938	570696912	/nfs/dbraw/zinc/69/69/12/570696912.db2.gz	GKWURSSFDREBFZ-YRNVUSSQSA-N	0	0	370.445	4.787	40	30		FJEBRN
CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1c(C)cccc1C	ZINC000408908789	570697986	/nfs/dbraw/zinc/69/79/86/570697986.db2.gz	SANQPQYSLZVIIV-DLTWUOELSA-N	0	0	366.486	4.936	40	30		FJEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1CC	ZINC000408915985	570699244	/nfs/dbraw/zinc/69/92/44/570699244.db2.gz	SRVGHFLZMKVXTP-KLPPEWMLSA-N	0	0	366.486	4.882	40	30		FJEBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1	ZINC000408918863	570699631	/nfs/dbraw/zinc/69/96/31/570699631.db2.gz	PXKATMQNADPTGR-UFFVCSGVSA-N	0	0	365.345	4.696	40	30		FJEBRN
CCOCCN1C(=O)/C(=C/c2ccccc2C)S/C1=N/c1ccccc1	ZINC000408929011	570700255	/nfs/dbraw/zinc/70/02/55/570700255.db2.gz	OITYMZOGSAFGPS-LRXSNBMBSA-N	0	0	366.486	4.636	40	30		FJEBRN
COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000408930956	570700858	/nfs/dbraw/zinc/70/08/58/570700858.db2.gz	FIWHYXRECIXBBA-CIAFOILYSA-N	0	0	365.260	4.589	40	30		FJEBRN
CCOC(=O)c1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1	ZINC000408957984	570703298	/nfs/dbraw/zinc/70/32/98/570703298.db2.gz	WTLGEVCUJLOOOP-FSJBWODESA-N	0	0	362.385	4.955	40	30		FJEBRN
Cc1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl	ZINC000408962706	570703647	/nfs/dbraw/zinc/70/36/47/570703647.db2.gz	JLSGUXYYHYHLIT-CAOOACKPSA-N	0	0	371.605	4.709	40	30		FJEBRN
CCn1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21	ZINC000408964421	570704139	/nfs/dbraw/zinc/70/41/39/570704139.db2.gz	GVAJLBGPWRZQHY-XDHOZWIPSA-N	0	0	361.470	4.861	40	30		FJEBRN
Fc1cccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1	ZINC000408976050	570706152	/nfs/dbraw/zinc/70/61/52/570706152.db2.gz	OWTNMJVTZCLNRY-MUDSWDHVSA-N	0	0	354.200	4.847	40	30		FJEBRN
COc1ccc(C=NNc2ccccc2)cc1Oc1nc(Cl)ncc1F	ZINC000409007698	570711789	/nfs/dbraw/zinc/71/17/89/570711789.db2.gz	QIMPDXKNGKOCFR-LSHDLFTRSA-N	0	0	372.787	4.516	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1C	ZINC000409064501	570717980	/nfs/dbraw/zinc/71/79/80/570717980.db2.gz	PQSKHRNNRPRODB-YVLHZVERSA-N	0	0	373.909	4.978	40	30		FJEBRN
CCn1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C	ZINC000409093886	570721131	/nfs/dbraw/zinc/72/11/31/570721131.db2.gz	BKYWUGMTFDFYRN-WQRHYEAKSA-N	0	0	353.491	4.633	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OC	ZINC000409112015	570725557	/nfs/dbraw/zinc/72/55/57/570725557.db2.gz	BHUATSMAVRGTOL-UHFFFAOYSA-N	0	0	374.278	4.699	40	30		FJEBRN
C=CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OC	ZINC000409113171	570726099	/nfs/dbraw/zinc/72/60/99/570726099.db2.gz	IIJNCQBSWLYNAP-UHFFFAOYSA-N	0	0	362.267	4.943	40	30		FJEBRN
Cc1ccc(/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1	ZINC000409120791	570728227	/nfs/dbraw/zinc/72/82/27/570728227.db2.gz	UDHNYJRIYLKINK-MTJSOVHGSA-N	0	0	350.403	4.595	40	30		FJEBRN
C#CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OC	ZINC000409134353	570730587	/nfs/dbraw/zinc/73/05/87/570730587.db2.gz	OWGIOAXNTLQKAF-UHFFFAOYSA-N	0	0	374.278	4.699	40	30		FJEBRN
C#CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1Cl	ZINC000409216380	570741847	/nfs/dbraw/zinc/74/18/47/570741847.db2.gz	KNWMEXLYCBLEFK-VBKFSLOCSA-N	0	0	363.866	4.579	40	30		FJEBRN
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1Cl	ZINC000409239179	570743634	/nfs/dbraw/zinc/74/36/34/570743634.db2.gz	OSHMORXVOBSEOE-MTJSOVHGSA-N	0	0	365.260	4.589	40	30		FJEBRN
C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1	ZINC000409327115	570750067	/nfs/dbraw/zinc/75/00/67/570750067.db2.gz	IDRFYZAFICWBRO-AQTBWJFISA-N	0	0	367.495	4.966	40	30		FJEBRN
C/N=C1/S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1C	ZINC000409336099	570751675	/nfs/dbraw/zinc/75/16/75/570751675.db2.gz	MAEMVDOENQWGDX-SGDIVOEVSA-N	0	0	360.523	4.519	40	30		FJEBRN
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1oc(C)c(C)c1C#N	ZINC000409392549	570756050	/nfs/dbraw/zinc/75/60/50/570756050.db2.gz	QLXAPTNMUBCHHC-UHFFFAOYSA-N	0	0	370.408	4.638	40	30		FJEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1c(F)cccc1Cl	ZINC000005426409	570776461	/nfs/dbraw/zinc/77/64/61/570776461.db2.gz	KYVAVXNLHXDIKA-IFRROFPPSA-N	0	0	361.682	4.852	40	30		FJEBRN
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1	ZINC000006293537	570780472	/nfs/dbraw/zinc/78/04/72/570780472.db2.gz	DNWFHRNGIDUZTJ-UHFFFAOYSA-N	0	0	371.893	4.989	40	30		FJEBRN
O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(O)cc1	ZINC000110701056	570803895	/nfs/dbraw/zinc/80/38/95/570803895.db2.gz	MGJOJBLBCWZTAI-VGOFMYFVSA-N	0	0	365.241	4.591	40	30		FJEBRN
O=C1Nc2ccc(Br)cc2/C1=N/c1cccc(C(F)(F)F)c1	ZINC000016386081	570855403	/nfs/dbraw/zinc/85/54/03/570855403.db2.gz	ZMPQKLNTQNBVKA-UHFFFAOYSA-N	0	0	369.140	4.541	40	30		FJEBRN
C=C1C[C@@]2(CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O	ZINC000118936602	570909664	/nfs/dbraw/zinc/90/96/64/570909664.db2.gz	WGTHPOGRDPMMBQ-DVWPCDKSSA-N	0	0	356.506	4.552	40	30		FJEBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(CC#N)cc1	ZINC000225677867	571055212	/nfs/dbraw/zinc/05/52/12/571055212.db2.gz	JAZYGFAVRSDTEX-GOSISDBHSA-N	0	0	365.502	4.650	40	30		FJEBRN
CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225827813	571071304	/nfs/dbraw/zinc/07/13/04/571071304.db2.gz	UJIWCVBITXNSEB-NRFANRHFSA-N	0	0	360.498	4.907	40	30		FJEBRN
CC/N=C1\S/C(=C\c2c(OCC)ccc3ccccc32)C(=O)N1CC	ZINC000059104677	571086977	/nfs/dbraw/zinc/08/69/77/571086977.db2.gz	SKQYRDDTINTFBX-PQDITWEDSA-N	0	0	354.475	4.551	40	30		FJEBRN
CCCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	ZINC000059444483	571089148	/nfs/dbraw/zinc/08/91/48/571089148.db2.gz	ZWKHEBFKNGPBBV-CSKARUKUSA-N	0	0	355.390	4.678	40	30		FJEBRN
COc1cc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O	ZINC000059461363	571089719	/nfs/dbraw/zinc/08/97/19/571089719.db2.gz	ODHMODHQVHTDJX-CLBJDOSESA-N	0	0	368.414	4.591	40	30		FJEBRN
C=CCc1cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc(OCC)c1O	ZINC000059302065	571090083	/nfs/dbraw/zinc/09/00/83/571090083.db2.gz	XKYSHPGCAVECSU-WSDLNYQXSA-N	0	0	373.836	4.710	40	30		FJEBRN
COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(C(C)C)cc2)C1=O	ZINC000059516320	571091924	/nfs/dbraw/zinc/09/19/24/571091924.db2.gz	FBTKNRGACQFRTB-XSFVSMFZSA-N	0	0	361.441	4.687	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1	ZINC000008570646	571111170	/nfs/dbraw/zinc/11/11/70/571111170.db2.gz	KZFMMRQQGORIQO-UHFFFAOYSA-N	0	0	361.825	4.564	40	30		FJEBRN
COc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1	ZINC000034791594	571167347	/nfs/dbraw/zinc/16/73/47/571167347.db2.gz	CYBVIGWLSYAUGC-UHFFFAOYSA-N	0	0	362.454	4.707	40	30		FJEBRN
C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1	ZINC000219792456	571174953	/nfs/dbraw/zinc/17/49/53/571174953.db2.gz	WPYQIDFQKASAMZ-FQEVSTJZSA-N	0	0	365.473	4.982	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C	ZINC000219808852	571175183	/nfs/dbraw/zinc/17/51/83/571175183.db2.gz	VBWNQUMRVFMGLH-UHFFFAOYSA-N	0	0	368.502	4.745	40	30		FJEBRN
C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1	ZINC000219807219	571175277	/nfs/dbraw/zinc/17/52/77/571175277.db2.gz	RQAQVHUISIOMIJ-UHFFFAOYSA-N	0	0	361.850	4.657	40	30		FJEBRN
N#Cc1ccccc1COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1	ZINC000006338270	571181693	/nfs/dbraw/zinc/18/16/93/571181693.db2.gz	PMOWJIQVXMKNAM-JOCHJYFZSA-N	0	0	371.465	4.834	40	30		FJEBRN
CN(C)c1ccc(CN=Nc2nc3ccccc3c(-c3ccccc3)n2)cc1	ZINC000046085410	571186334	/nfs/dbraw/zinc/18/63/34/571186334.db2.gz	UZYSDGITFFWHSE-LFVJCYFKSA-N	0	0	367.456	4.809	40	30		FJEBRN
Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000001959862	571202898	/nfs/dbraw/zinc/20/28/98/571202898.db2.gz	ZNYDQWSNNVXUIR-LLVKDONJSA-N	0	0	374.893	4.724	40	30		FJEBRN
C=CCOc1ccc(C(=O)NCc2cccc3ccccc32)cc1OCC	ZINC000006844846	571297250	/nfs/dbraw/zinc/29/72/50/571297250.db2.gz	HQFUGUIUNNEDNX-UHFFFAOYSA-N	0	0	361.441	4.733	40	30		FJEBRN
C#CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OC	ZINC000008084217	571300193	/nfs/dbraw/zinc/30/01/93/571300193.db2.gz	CVKZXJMPFDPLGY-FYJGNVAPSA-N	0	0	372.262	4.783	40	30		FJEBRN
Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	ZINC000008371999	571301252	/nfs/dbraw/zinc/30/12/52/571301252.db2.gz	FKIGYIPCABKGLZ-RCCKNPSSSA-N	0	0	351.427	4.513	40	30		FJEBRN
COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1	ZINC000008811444	571302141	/nfs/dbraw/zinc/30/21/41/571302141.db2.gz	CNGVZPHULISPLC-YDZHTSKRSA-N	0	0	368.820	4.510	40	30		FJEBRN
Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	ZINC000010118809	571302848	/nfs/dbraw/zinc/30/28/48/571302848.db2.gz	PZQOTIYEBZMPKM-WSDLNYQXSA-N	0	0	369.808	4.940	40	30		FJEBRN
CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(C)C	ZINC000033647876	571305611	/nfs/dbraw/zinc/30/56/11/571305611.db2.gz	BTXJORXBUAGOIE-UHFFFAOYSA-N	0	0	365.477	4.515	40	30		FJEBRN
CCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccccc1	ZINC000006018786	571310275	/nfs/dbraw/zinc/31/02/75/571310275.db2.gz	DVRMHOZELYBCKX-HOOMGSECSA-N	0	0	352.459	4.709	40	30		FJEBRN
CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000008362978	571310481	/nfs/dbraw/zinc/31/04/81/571310481.db2.gz	UOPCDEJIARLKRH-QHHAONBESA-N	0	0	367.430	4.527	40	30		FJEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)cc1C	ZINC000107845935	571310826	/nfs/dbraw/zinc/31/08/26/571310826.db2.gz	DGTIEIMGHSEJDX-YVLHZVERSA-N	0	0	352.459	4.517	40	30		FJEBRN
Cc1cc(N2CCCC2)c(F)cc1C=[NH+][N-]c1ccc(C(F)(F)F)cn1	ZINC000107926004	571310860	/nfs/dbraw/zinc/31/08/60/571310860.db2.gz	SAYSLWFYLYAWST-VROXFSQNSA-N	0	0	366.362	4.594	40	30		FJEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1Cl	ZINC000197489434	571311246	/nfs/dbraw/zinc/31/12/46/571311246.db2.gz	GTIQORRODZXIMB-HYARGMPZSA-N	0	0	356.853	4.868	40	30		FJEBRN
CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C	ZINC000409066947	571319470	/nfs/dbraw/zinc/31/94/70/571319470.db2.gz	IDXAUGPUXSXGBT-UHFFFAOYSA-N	0	0	353.230	4.690	40	30		FJEBRN
CC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C	ZINC000409114749	571319492	/nfs/dbraw/zinc/31/94/92/571319492.db2.gz	IKSAPKNUWRIUSP-UHFFFAOYSA-N	0	0	364.879	4.515	40	30		FJEBRN
CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C#N	ZINC000225832502	571338530	/nfs/dbraw/zinc/33/85/30/571338530.db2.gz	UEHONGFZKAFSOO-IIBYNOLFSA-N	0	0	358.482	4.661	40	30		FJEBRN
CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N	ZINC000225846876	571338710	/nfs/dbraw/zinc/33/87/10/571338710.db2.gz	XSJCFTRHYGRLOC-OAQYLSRUSA-N	0	0	360.498	4.907	40	30		FJEBRN
CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1	ZINC000225855164	571338750	/nfs/dbraw/zinc/33/87/50/571338750.db2.gz	PISWEQCHYDRZAG-IERDGZPVSA-N	0	0	358.482	4.659	40	30		FJEBRN
Cc1cccc(OCCn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)c1	ZINC000225861995	571338857	/nfs/dbraw/zinc/33/88/57/571338857.db2.gz	NKYLSVLROLEJEK-UHFFFAOYSA-N	0	0	365.864	4.574	40	30		FJEBRN