smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=C(c2ccccc2)C(=O)C=C(c2ccccc2)C1=O	ZINC000095590715	185014477	/nfs/dbraw/zinc/01/44/77/185014477.db2.gz	RPHQALSHGDIMKF-UHFFFAOYSA-N	0	0	290.318	3.280	1	30		CGEFRN
Cc1ccc2[nH]c(=O)c(/C=N/Cc3ccccc3)cc2c1	ZINC000095596961	185015185	/nfs/dbraw/zinc/01/51/85/185015185.db2.gz	XGHXYQKPEBVCPE-XDHOZWIPSA-N	0	0	276.339	3.456	1	30		CGEFRN
COc1ccc(-c2csc(N=NC(C)C)n2)c(OC)c1	ZINC000096923751	185130533	/nfs/dbraw/zinc/13/05/33/185130533.db2.gz	BQYKHJSEQSRESR-UHFFFAOYSA-N	0	0	291.376	3.057	1	30		CGEFRN
COc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1	ZINC000000018787	169507121	/nfs/dbraw/zinc/50/71/21/169507121.db2.gz	FYVGMIBLVVBKHX-VAWYXSNFSA-N	0	0	281.311	3.073	1	30		CGEFRN
O=C1Nc2ccccc2[C@](C#CC2CC2)(C(F)(F)F)O1	ZINC000006583466	170215747	/nfs/dbraw/zinc/21/57/47/170215747.db2.gz	PMAKZVLAJFKTHQ-CYBMUJFWSA-N	0	0	281.233	3.420	1	30		CGEFRN
Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(F)cc1	ZINC000007674836	170297274	/nfs/dbraw/zinc/29/72/74/170297274.db2.gz	ZKFLWJAVKHDNBY-VXLYETTFSA-N	0	0	280.306	3.154	1	30		CGEFRN
OCCCCC#Cc1ccccc1C#Cc1ccc(O)cc1	ZINC000028648771	171569029	/nfs/dbraw/zinc/56/90/29/171569029.db2.gz	ZTMMUWGZXNOEOD-UHFFFAOYSA-N	0	0	290.362	3.306	1	30		CGEFRN
CN(Cc1ccccc1)c1nc2c(cc1C#N)C(=O)CCC2	ZINC000028967397	171582295	/nfs/dbraw/zinc/58/22/95/171582295.db2.gz	CUWTUWWWGLIZDH-UHFFFAOYSA-N	0	0	291.354	3.109	1	30		CGEFRN
CC1=C2c3ccc4n[nH]cc4c3C[C@@]2(C)CCC1=O	ZINC000034633789	171846445	/nfs/dbraw/zinc/84/64/45/171846445.db2.gz	LLOQNYZFGFKLEE-MRXNPFEDSA-N	0	0	252.317	3.262	1	30		CGEFRN
N#Cc1ccc([C@@H](c2cccc3[nH]ccc32)n2cncn2)cc1	ZINC000040395551	174252808	/nfs/dbraw/zinc/25/28/08/174252808.db2.gz	BCRRIKIKOULTLC-SFHVURJKSA-N	0	0	299.337	3.269	1	30		CGEFRN
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CC2)cc1	ZINC000072103027	176316105	/nfs/dbraw/zinc/31/61/05/176316105.db2.gz	GQNSBEOSRJBTQR-UHFFFAOYSA-N	0	0	297.358	3.379	1	30		CGEFRN
Cc1cc(Oc2ncccc2/C(N)=N/O)cc(C(C)C)c1	ZINC000072184036	176335305	/nfs/dbraw/zinc/33/53/05/176335305.db2.gz	GOICBPPXURJMJH-UHFFFAOYSA-N	0	0	285.347	3.400	1	30		CGEFRN
N#Cc1cc(F)cc(C(=O)Nc2nc(C3CC3)cs2)c1	ZINC000058519345	526557426	/nfs/dbraw/zinc/55/74/26/526557426.db2.gz	OHQPUEYZEYATNC-UHFFFAOYSA-N	0	0	287.319	3.284	1	30		CGEFRN
COc1ccc(C[C@@H]2CC[C@@H]3CC=CC(=O)[C@@H]32)cc1O	ZINC000095560712	185009084	/nfs/dbraw/zinc/00/90/84/185009084.db2.gz	LJOVCLDDICBQFE-DCGLDWPTSA-N	0	0	272.344	3.115	1	30		CGEFRN
COc1nc(C)nc(/N=C(\C)c2ccc3ccccc3c2)n1	ZINC000096932888	185132185	/nfs/dbraw/zinc/13/21/85/185132185.db2.gz	MRINWEYGVAKTSH-WOJGMQOQSA-N	0	0	292.342	3.483	1	30		CGEFRN
Cc1nn(-c2ccc(Cl)c(Cl)c2)cc1C#N	ZINC000096938393	185133426	/nfs/dbraw/zinc/13/34/26/185133426.db2.gz	FJUOTAHLQPZNBD-UHFFFAOYSA-N	0	0	252.104	3.359	1	30		CGEFRN
C[C@H](NC(=C[N+](=O)[O-])Nc1cccc(C#N)c1)C(C)(C)C	ZINC000101493788	185741806	/nfs/dbraw/zinc/74/18/06/185741806.db2.gz	WTZHCQHIMBUMLC-IWQAVIMZSA-N	0	0	288.351	3.070	1	30		CGEFRN
C#CC(C)(C)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000103167230	185813643	/nfs/dbraw/zinc/81/36/43/185813643.db2.gz	XWCLZVUVXSRCTE-SMDDNHRTSA-N	0	0	288.778	3.316	1	30		CGEFRN
C/C(=N/OC(=O)c1ccc(Cl)cc1)c1nccs1	ZINC000005624681	170121443	/nfs/dbraw/zinc/12/14/43/170121443.db2.gz	KSHSYBSEZAKVGL-NVNXTCNLSA-N	0	0	280.736	3.378	1	30		CGEFRN
CC1(C)CC(=O)C(=CNCCc2ccc(O)cc2)C(=O)C1	ZINC000006530901	170210908	/nfs/dbraw/zinc/21/09/08/170210908.db2.gz	GVCRHPRABBIUMD-WQRHYEAKSA-N	0	0	287.359	3.207	1	30		CGEFRN
C=CC[C@](C)(Nc1ccc(OC)cc1)C(=O)OCC	ZINC000008689910	170345699	/nfs/dbraw/zinc/34/56/99/170345699.db2.gz	FBGBOFWMXXETSM-HNNXBMFYSA-N	0	0	263.337	3.005	1	30		CGEFRN
COc1ccc(NC(=S)N[C@@H](C)C(C)(C)C)cn1	ZINC000013600628	170568051	/nfs/dbraw/zinc/56/80/51/170568051.db2.gz	LKUDDMZOZRXMEZ-VIFPVBQESA-N	0	0	267.398	3.223	1	30		CGEFRN
C=CCNC(=O)C(C)(C)[C@@H](O)CCCCCCC	ZINC000044406701	175171546	/nfs/dbraw/zinc/17/15/46/175171546.db2.gz	MHAHJIOUYCWVQO-ZDUSSCGKSA-N	0	0	255.402	3.036	1	30		CGEFRN
N#CCOc1nc(-c2ccccc2)nc2ccccc21	ZINC000045316950	175358207	/nfs/dbraw/zinc/35/82/07/175358207.db2.gz	HHTTXYNELLJQCH-UHFFFAOYSA-N	0	0	261.284	3.199	1	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C/C2=N/O	ZINC000045320929	175358732	/nfs/dbraw/zinc/35/87/32/175358732.db2.gz	LMKPBKZHGVGOGJ-CYVLTUHYSA-N	0	0	279.343	3.423	1	30		CGEFRN
O=C1C=C(c2ccc(F)cc2)C(=O)C=C1c1ccccc1	ZINC000071318516	176122136	/nfs/dbraw/zinc/12/21/36/176122136.db2.gz	SNYCRAAOBFGYBM-UHFFFAOYSA-N	0	0	278.282	3.445	1	30		CGEFRN
CCc1cn(CCO)c(CC)c1Oc1ccc(C#N)cc1	ZINC000049035950	522002096	/nfs/dbraw/zinc/00/20/96/522002096.db2.gz	BZNHAHNOAXOEDO-UHFFFAOYSA-N	0	0	284.359	3.269	1	30		CGEFRN
CCCCC[C@@H](O)CC(=O)/C=C/c1ccc(O)c(OC)c1	ZINC000015257112	560229741	/nfs/dbraw/zinc/22/97/41/560229741.db2.gz	SQSCGIWEWIDSLF-RCQQVGEISA-N	0	0	292.375	3.314	1	30	biogenic,in-vitro	CGEFRN
O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1ccc(Cl)cc1)O2	ZINC000096916771	185129940	/nfs/dbraw/zinc/12/99/40/185129940.db2.gz	AKZHRZUIBCUOSK-KBPBESRZSA-N	0	0	297.137	3.386	1	30		CGEFRN
COc1ccc2[nH]cc(/C=C/C(=O)c3cccnc3)c2c1	ZINC000084670977	178912066	/nfs/dbraw/zinc/91/20/66/178912066.db2.gz	JDCBPVZYMRIANJ-QPJJXVBHSA-N	0	0	278.311	3.468	1	30		CGEFRN
Cc1ccc([C@@H](C)NC(=O)[C@@H](C#N)C(C)(C)C)cc1	ZINC000103180891	185813890	/nfs/dbraw/zinc/81/38/90/185813890.db2.gz	CGFVRGBSLOHZFZ-TZMCWYRMSA-N	0	0	258.365	3.358	1	30		CGEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H](OC)[C@@H]12	ZINC000095913531	290860701	/nfs/dbraw/zinc/86/07/01/290860701.db2.gz	XGPNOBAMLGTLFZ-OTJKEOIZSA-N	0	0	252.398	3.401	1	30	biogenic,in-vitro	CGEFRN
C[C@@H]1[C@H]2C[C@H](C[C@]2(O)C#Cc2ccccc2)C1(C)C	ZINC000004126234	169935697	/nfs/dbraw/zinc/93/56/97/169935697.db2.gz	IALXVCOWTNLGMF-GFOCRRMGSA-N	0	0	254.373	3.471	1	30		CGEFRN
Cc1nc2ccc(CCc3ccccc3)cn2c1CC#N	ZINC000026174574	171474958	/nfs/dbraw/zinc/47/49/58/171474958.db2.gz	YAXHMNFYOPQWKP-UHFFFAOYSA-N	0	0	275.355	3.494	1	30		CGEFRN
CC1(C)OC(/C=C/c2ccc(F)cc2F)=CC1=O	ZINC000028217874	171550325	/nfs/dbraw/zinc/55/03/25/171550325.db2.gz	JSSQBOLEVGOIAG-GQCTYLIASA-N	0	0	250.244	3.240	1	30		CGEFRN
O/N=C1/C[C@@H](O)C(c2ccccc2)=C1c1ccccc1	ZINC000034189210	171833996	/nfs/dbraw/zinc/83/39/96/171833996.db2.gz	BNGXLDDVKDHLPI-SULWINFOSA-N	0	0	265.312	3.192	1	30		CGEFRN
Cc1nc2ccccc2nc1N=NCc1ccccc1	ZINC000040406692	174254169	/nfs/dbraw/zinc/25/41/69/174254169.db2.gz	TYNRSAJVNXKENV-GZTJUZNOSA-N	0	0	262.316	3.384	1	30		CGEFRN
Cc1ccnc2c1N[C@@H](C#N)c1cccnc1N2C1CC1	ZINC000040429965	174259374	/nfs/dbraw/zinc/25/93/74/174259374.db2.gz	JNAKMWVBLKSPDZ-ZDUSSCGKSA-N	0	0	277.331	3.076	1	30		CGEFRN
N#Cc1ccccc1COc1cccc2ccc(N)nc21	ZINC000043019585	174945130	/nfs/dbraw/zinc/94/51/30/174945130.db2.gz	MBPMOGNYMFONSB-UHFFFAOYSA-N	0	0	275.311	3.268	1	30		CGEFRN
N#Cc1cccnc1-c1ccc(N2CCCCCC2)nc1	ZINC000045254883	175336863	/nfs/dbraw/zinc/33/68/63/175336863.db2.gz	CICZDFUOGACVQO-UHFFFAOYSA-N	0	0	278.359	3.396	1	30		CGEFRN
C=CCOC(=O)c1c(=O)nc2c3cccc4cccc(c1-2)c34	ZINC000071280818	176108619	/nfs/dbraw/zinc/10/86/19/176108619.db2.gz	CGJSZRHNKLUWIE-UHFFFAOYSA-N	0	0	289.290	3.071	1	30		CGEFRN
CN(C)c1ccc(C=Nc2nc3cc(C#N)ccc3[nH]2)cc1	ZINC000071280871	176108965	/nfs/dbraw/zinc/10/89/65/176108965.db2.gz	LTBGAYBAJHTOPM-YBFXNURJSA-N	0	0	289.342	3.251	1	30		CGEFRN
COc1cc(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1	ZINC000014814702	560099087	/nfs/dbraw/zinc/09/90/87/560099087.db2.gz	JUZVHLGKYJTCKP-CMDGGOBGSA-N	0	0	284.311	3.311	1	30	endogenous,in-man	CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC[C@]2(C)O	ZINC000035286102	581098843	/nfs/dbraw/zinc/09/88/43/581098843.db2.gz	JBKICUUTJUTNKV-KRWDZBQOSA-N	0	0	266.344	3.108	1	30		CGEFRN
N#Cc1ccc(C2=NO[C@H]3CCC[C@@H]23)c(C(F)(F)F)c1	ZINC000095575511	185011307	/nfs/dbraw/zinc/01/13/07/185011307.db2.gz	UFDAVUOYTGQPPZ-PWSUYJOCSA-N	0	0	280.249	3.480	1	30		CGEFRN
C#CCO/N=C/c1c(-c2ccccc2)nc2c(C)cccn12	ZINC000096922586	185131195	/nfs/dbraw/zinc/13/11/95/185131195.db2.gz	HVISHMZGIVOODR-CPNJWEJPSA-N	0	0	289.338	3.293	1	30		CGEFRN
C=C[C@H](O)/C=C/C#C[C@@H](O)/C=C/CCCCCCC	ZINC000085831964	179183858	/nfs/dbraw/zinc/18/38/58/179183858.db2.gz	LCHMNLCUPRABCV-HPAMMFHRSA-N	0	0	262.393	3.371	1	30	endogenous,in-man	CGEFRN
C=CCN(CC=C)C(=S)N/N=C\c1ccc(Cl)cc1	ZINC000103224009	185817633	/nfs/dbraw/zinc/81/76/33/185817633.db2.gz	XIGAKLPLBRPZPG-WJDWOHSUSA-N	0	0	293.823	3.222	1	30		CGEFRN
CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC(=O)CCOC	ZINC000085857862	290863003	/nfs/dbraw/zinc/86/30/03/290863003.db2.gz	ZBDTYWHJRWZCPN-ZWKOTPCHSA-N	0	0	290.403	3.117	1	30	biogenic,in-vitro	CGEFRN
C=CCN1C(=O)c2cc3cc(Cl)ccc3n2C1=S	ZINC000013487550	170555561	/nfs/dbraw/zinc/55/55/61/170555561.db2.gz	NTGAUBPFKPWHRM-UHFFFAOYSA-N	0	0	276.748	3.070	1	30		CGEFRN
O=C(CCCCCSc1ccc(Cl)cc1)NO	ZINC000013679851	170577101	/nfs/dbraw/zinc/57/71/01/170577101.db2.gz	YJLULGXAUIZRDZ-UHFFFAOYSA-N	0	0	273.785	3.498	1	30		CGEFRN
C[C@@]1(C=O)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@]32C)C1	ZINC000027731419	171530537	/nfs/dbraw/zinc/53/05/37/171530537.db2.gz	XFDLZKMDVPATED-WBQNTZJQSA-N	0	0	258.361	3.473	1	30		CGEFRN
CC[C@H](c1cccnc1)C1=C(C)C(=O)C(C)=C(C)C1=O	ZINC000038153633	174134385	/nfs/dbraw/zinc/13/43/85/174134385.db2.gz	AQJKAHQHXCHLRJ-CQSZACIVSA-N	0	0	269.344	3.380	1	30		CGEFRN
CCc1cc(/C=N/c2ccc3c(c2)OCO3)c(O)cc1O	ZINC000072116437	176318810	/nfs/dbraw/zinc/31/88/10/176318810.db2.gz	VEGHCLVTJGJUNQ-CAOOACKPSA-N	0	0	285.299	3.140	1	30		CGEFRN
CN/N=C/c1c2ccccc2[nH]c1-c1ccc(O)cc1	ZINC000073200492	176460996	/nfs/dbraw/zinc/46/09/96/176460996.db2.gz	VFWVWVHRVUZZRW-VCHYOVAHSA-N	0	0	265.316	3.094	1	30		CGEFRN
Cc1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1	ZINC000058534036	524657628	/nfs/dbraw/zinc/65/76/28/524657628.db2.gz	JHLDQKUSWAUHCQ-UHFFFAOYSA-N	0	0	254.264	3.258	1	30	in-vivo	CGEFRN
Cc1nc(NC(=O)c2cc(F)cc(C#N)c2)sc1C	ZINC000058512498	526990492	/nfs/dbraw/zinc/99/04/92/526990492.db2.gz	RNGQXRYHDIETFS-UHFFFAOYSA-N	0	0	275.308	3.023	1	30		CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@@H](C(C)(C)O)C[C@@H]1O	ZINC000015254894	571737645	/nfs/dbraw/zinc/73/76/45/571737645.db2.gz	QZYCUDRAMHSVOE-XQYZYSQISA-N	0	0	296.407	3.092	1	30	endogenous,in-man	CGEFRN
CCCCCCC[C@H]1O[C@@H]1CC#CC#C[C@@H](O)CC	ZINC000014253962	571704635	/nfs/dbraw/zinc/70/46/35/571704635.db2.gz	WDZQEROINMBCOK-GVDBMIGSSA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=O)N2	ZINC000026282751	581098878	/nfs/dbraw/zinc/09/88/78/581098878.db2.gz	JMUPKDBUVCZLQS-UHFFFAOYSA-N	0	0	281.315	3.361	1	30		CGEFRN
CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)NO)no1	ZINC000095576738	185011532	/nfs/dbraw/zinc/01/15/32/185011532.db2.gz	YVRMZRBZVFTUER-SYTKJHMZSA-N	0	0	276.336	3.189	1	30		CGEFRN
O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(Cl)cc1)O2	ZINC000096916767	185129847	/nfs/dbraw/zinc/12/98/47/185129847.db2.gz	AKZHRZUIBCUOSK-UONOGXRCSA-N	0	0	297.137	3.386	1	30		CGEFRN
COc1ccc([C@@H]2CC[C@](Cl)(OC)C[C@@H]2C=O)cc1	ZINC000005824251	170144580	/nfs/dbraw/zinc/14/45/80/170144580.db2.gz	KPMOARVPBQKECG-SNPRPXQTSA-N	0	0	282.767	3.359	1	30		CGEFRN
C[C@@]12C=CC(=O)C=C1CC[C@H]1C[C@@](C)(C=O)CC[C@@H]12	ZINC000027731440	171530795	/nfs/dbraw/zinc/53/07/95/171530795.db2.gz	XFDLZKMDVPATED-OSMBCOQSSA-N	0	0	258.361	3.473	1	30		CGEFRN
Cc1cc(O)cc(C)c1/C=C/c1cncc(C#N)c1	ZINC000040576788	174342019	/nfs/dbraw/zinc/34/20/19/174342019.db2.gz	QJPOKLYNFHIKGR-ONEGZZNKSA-N	0	0	250.301	3.446	1	30		CGEFRN
O=C(/C=C/c1ccc2nonc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000045245284	175336504	/nfs/dbraw/zinc/33/65/04/175336504.db2.gz	YWVFULGTHCQCNK-KRXBUXKQSA-N	0	0	295.254	3.027	1	30		CGEFRN
Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3C[C@@H]3C)cn2)c1	ZINC000072183938	176335204	/nfs/dbraw/zinc/33/52/04/176335204.db2.gz	HEZWNYVHRXIQGX-CWBPQAIUSA-N	0	0	297.358	3.331	1	30		CGEFRN
N#Cc1cc2cc(N)ccc2n2c3ccccc3nc12	ZINC000073170089	176458542	/nfs/dbraw/zinc/45/85/42/176458542.db2.gz	BVUNKOBJVJUUNM-UHFFFAOYSA-N	0	0	258.284	3.095	1	30		CGEFRN
C=C(C)[C@@H](C)N(O)c1ccc(Br)cn1	ZINC000073196093	176460231	/nfs/dbraw/zinc/46/02/31/176460231.db2.gz	OWVQKBQXFRQXKA-MRVPVSSYSA-N	0	0	257.131	3.004	1	30		CGEFRN
C[C@H](C=O)CC[C@H]([NH3+])CCCCCCC/C=C/C(=O)[O-]	ZINC000085510544	560073989	/nfs/dbraw/zinc/07/39/89/560073989.db2.gz	YLDRLYAELXSDTC-AZHOBDGFSA-N	0	0	283.412	3.300	1	30	biogenic,in-vitro	CGEFRN
Cn1cc(-c2ccc3c(c2)C(C)(C)OC(=O)N3)cc1C#N	ZINC000026272578	581098873	/nfs/dbraw/zinc/09/88/73/581098873.db2.gz	CMBBFWANSALAAB-UHFFFAOYSA-N	0	0	281.315	3.361	1	30		CGEFRN
CC(C)Nc1c(C#N)cnc2cc(-c3cnn(C)c3)ccc21	ZINC000095603208	185015491	/nfs/dbraw/zinc/01/54/91/185015491.db2.gz	XXPMZJXWFXBNBY-UHFFFAOYSA-N	0	0	291.358	3.327	1	30		CGEFRN
CCOC(=O)C(C=Nc1ccccc1C)C(=O)OCC	ZINC000101936124	185764215	/nfs/dbraw/zinc/76/42/15/185764215.db2.gz	BTKZQQOZICSGGY-CKVUVMBBSA-N	0	0	277.320	3.067	1	30		CGEFRN
C/C=C/C#CC#CCC/C=C/C=C/C(=O)NCC(C)C	ZINC000095912395	290860006	/nfs/dbraw/zinc/86/00/06/290860006.db2.gz	GUJXDSIRNUISDE-CTAVSSKASA-N	0	0	269.388	3.234	1	30	biogenic,in-vitro	CGEFRN
CCCC(=O)CC/C=C/C=C/C#CC#CC/C=C\CO	ZINC000033829991	290863005	/nfs/dbraw/zinc/86/30/05/290863005.db2.gz	ZFOBEJMRESDBPQ-XHWFXLNJSA-N	0	0	270.372	3.194	1	30	biogenic,in-vitro	CGEFRN
c1cc(CN=Nc2ncnc3sc4c(c32)CCC4)ccn1	ZINC000004866178	170032792	/nfs/dbraw/zinc/03/27/92/170032792.db2.gz	MZISCFVURKJKCP-UFWORHAWSA-N	0	0	295.371	3.021	3	30		CGEFRN
CCN/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1	ZINC000004865207	170032872	/nfs/dbraw/zinc/03/28/72/170032872.db2.gz	OUVZOBYLAZOQAH-LTGZKZEYSA-N	0	0	278.359	3.119	3	30		CGEFRN
c1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CO1	ZINC000004947101	170044079	/nfs/dbraw/zinc/04/40/79/170044079.db2.gz	DGBJXAUJNTXGJB-MRXNPFEDSA-O	0	0	277.347	3.035	3	30	aggregator	CGEFRN
Cc1ccc(Nc2nc(C#N)nc(NC3CCCC3)n2)cc1	ZINC000013831518	170601971	/nfs/dbraw/zinc/60/19/71/170601971.db2.gz	NHGAWIBKUIONQG-UHFFFAOYSA-N	0	0	294.362	3.150	1	30		CGEFRN
N#Cc1ccc(-c2ccc(/C=C/C=C/C(=O)NO)cc2)cc1	ZINC000042921549	174917250	/nfs/dbraw/zinc/91/72/50/174917250.db2.gz	QJLQGXTZORBWJX-ZPUQHVIOSA-N	0	0	290.322	3.300	1	30		CGEFRN
COc1ccc(/C(=N/O)NCC2CCCCC2)cc1	ZINC000072181393	176335080	/nfs/dbraw/zinc/33/50/80/176335080.db2.gz	PKLBLGFLCOHBCB-UHFFFAOYSA-N	0	0	262.353	3.001	1	30		CGEFRN
COc1ccc(/C(=N/O)Nc2ccc(F)cc2)cc1	ZINC000072184218	176335360	/nfs/dbraw/zinc/33/53/60/176335360.db2.gz	SEBDXGRBWIDPMS-UHFFFAOYSA-N	0	0	260.268	3.082	1	30		CGEFRN
Cc1ccccc1NC(=O)c1cc(F)cc(C#N)c1	ZINC000058499008	518190914	/nfs/dbraw/zinc/19/09/14/518190914.db2.gz	NQNLQHKFYXFRLD-UHFFFAOYSA-N	0	0	254.264	3.258	1	30		CGEFRN
CC1=C2C[C@H]3C[C@H](CO)[C@H]4CCC=C(C1=O)[C@@]24C3(C)C	ZINC000085549678	560071905	/nfs/dbraw/zinc/07/19/05/560071905.db2.gz	NURZWGBLQDVXAU-HYUMNODKSA-N	0	0	272.388	3.123	1	30	biogenic,in-vitro	CGEFRN
[NH2+]=c1ccn(C/C(=N\[O-])c2ccc(Cl)c(Cl)c2)cc1	ZINC000095616657	185016520	/nfs/dbraw/zinc/01/65/20/185016520.db2.gz	AETYFJVICSRDEE-GHRIWEEISA-N	0	0	296.157	3.153	1	30		CGEFRN
N/N=C1\CSC2(CCCCC2)N1c1ccc(F)cc1	ZINC000096932579	185132509	/nfs/dbraw/zinc/13/25/09/185132509.db2.gz	UKCISXMZBNJWJB-GHRIWEEISA-N	0	0	279.384	3.312	1	30		CGEFRN
CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCC	ZINC000084654209	178910738	/nfs/dbraw/zinc/91/07/38/178910738.db2.gz	QDSJGQCFGDOLHM-AGFGORMFSA-N	0	0	250.338	3.057	1	30		CGEFRN
C=C[C@@H]1CC(=O)c2cc(Cl)ccc2N1C(=O)OC	ZINC000040380010	136696922	/nfs/dbraw/zinc/69/69/22/136696922.db2.gz	OKZHICDNMKTGKC-SECBINFHSA-N	0	0	265.696	3.054	1	30		CGEFRN
C=C[C@@H](O)/C=C/C#C[C@@H](O)/C=C/CCCCCCC	ZINC000085831960	179183947	/nfs/dbraw/zinc/18/39/47/179183947.db2.gz	LCHMNLCUPRABCV-WVXIPPFSSA-N	0	0	262.393	3.371	1	30	endogenous,in-man	CGEFRN
COc1cccc(NC2=C(C)C(=O)c3ccccc3C2=O)c1	ZINC000103138822	185811481	/nfs/dbraw/zinc/81/14/81/185811481.db2.gz	NZWAMWBKDPSZLF-UHFFFAOYSA-N	0	0	293.322	3.460	1	30		CGEFRN
CC(C)C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1	ZINC000103180793	185813911	/nfs/dbraw/zinc/81/39/11/185813911.db2.gz	GXLQBBNIJFXJIU-GHRIWEEISA-N	0	0	264.760	3.092	1	30		CGEFRN
C=C1[C@H]2[C@H](CO)C[C@H]([C@H]2OC)[C@]1(C)C1CCCC1	ZINC000085546604	290861106	/nfs/dbraw/zinc/86/11/06/290861106.db2.gz	KBNZFLDEVJFKIR-HSZNGYFJSA-N	0	0	250.382	3.012	1	30	biogenic,in-vitro	CGEFRN
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)C[C@H](OC(C)=O)[C@@H]12	ZINC000105158254	186044763	/nfs/dbraw/zinc/04/47/63/186044763.db2.gz	UPNVKIZABMRHNR-BQCXPWGWSA-N	0	0	290.359	3.092	1	30		CGEFRN
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)C1=CCCC1	ZINC000001861661	169761373	/nfs/dbraw/zinc/76/13/73/169761373.db2.gz	MZEJHRYESWYBFS-CHWSQXEVSA-N	0	0	279.380	3.359	1	30		CGEFRN
CC1(C)CC(=O)C(=CNc2ccc(N)cc2)C(=O)C1	ZINC000005130702	170069143	/nfs/dbraw/zinc/06/91/43/170069143.db2.gz	LDBFVMQCBMRGRE-RQZCQDPDSA-N	0	0	258.321	3.172	1	30		CGEFRN
COC(=O)[C@H](CC[C@@H]1C=CCC1)/N=C\c1ccccc1	ZINC000006040567	170170946	/nfs/dbraw/zinc/17/09/46/170170946.db2.gz	MRFMREBRFTXQMX-XBNPZXQFSA-N	0	0	271.360	3.394	1	30		CGEFRN
C#CCOc1cc2c(c(C)c1OC)C=CC(C)(C)O2	ZINC000006069194	170173551	/nfs/dbraw/zinc/17/35/51/170173551.db2.gz	BQVBBUMCYMCPKM-UHFFFAOYSA-N	0	0	258.317	3.200	1	30		CGEFRN
C(#CC1=C[C@H](Oc2cccnc2)CCC1)c1ccccn1	ZINC000028525096	171561718	/nfs/dbraw/zinc/56/17/18/171561718.db2.gz	QWERJDMEHCRBGB-QGZVFWFLSA-N	0	0	276.339	3.386	1	30		CGEFRN
COc1cccc(/C=C2\COc3cc(OC)ccc3C2=O)c1	ZINC000028954808	171581393	/nfs/dbraw/zinc/58/13/93/171581393.db2.gz	MVGJSVGNKVGBGP-MDWZMJQESA-N	0	0	296.322	3.363	1	30		CGEFRN
O=C(O/N=C(\Cl)c1ccccc1)c1ccccc1	ZINC000038822837	174156077	/nfs/dbraw/zinc/15/60/77/174156077.db2.gz	XNCJXRGTUNGUDT-SSZFMOIBSA-N	0	0	259.692	3.444	1	30		CGEFRN
FCOC(F)(F)C(C(F)(F)F)C(F)(F)F	ZINC000044405315	175171458	/nfs/dbraw/zinc/17/14/58/175171458.db2.gz	KVFJRZVYFXDOCI-UHFFFAOYSA-N	0	0	250.060	3.264	1	30		CGEFRN
Fc1ccccc1C=NNc1ccnc2ccccc21	ZINC000045195059	175326751	/nfs/dbraw/zinc/32/67/51/175326751.db2.gz	NNQDPQFGGBVGRR-YBFXNURJSA-N	0	0	265.291	3.242	1	30		CGEFRN
C=CCC1=COC2=C(Cl)C(=O)C(=O)c3cccc1c32	ZINC000072107340	176316899	/nfs/dbraw/zinc/31/68/99/176316899.db2.gz	WTCAISUIYLUFAH-UHFFFAOYSA-N	0	0	272.687	3.307	1	30		CGEFRN
C[C@@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100452971	278452359	/nfs/dbraw/zinc/45/23/59/278452359.db2.gz	SDOLIJFTCFQHDR-OFVMIXNHSA-N	0	0	292.295	3.481	1	30		CGEFRN
CC(=O)/C=C/[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2C[C@H](O)[C@@]1(C)O	ZINC000100781173	571835030	/nfs/dbraw/zinc/83/50/30/571835030.db2.gz	BQUAFPABUCARCY-WNTKNVJZSA-N	0	0	294.435	3.096	1	30	endogenous,in-man	CGEFRN
N#Cc1ccc(C2=NO[C@@H]3CCC[C@H]23)cc1C(F)(F)F	ZINC000095578959	185011313	/nfs/dbraw/zinc/01/13/13/185011313.db2.gz	BRDCBMNKBRNPRG-CMPLNLGQSA-N	0	0	280.249	3.480	1	30		CGEFRN
O=C(c1cccc(F)c1)C1=CC(=O)c2ccccc2C1=O	ZINC000095587717	185011849	/nfs/dbraw/zinc/01/18/49/185011849.db2.gz	NHOABJSHPUCFPB-UHFFFAOYSA-N	0	0	280.254	3.014	1	30		CGEFRN
Cc1ccc2[nH]c(=O)c(/C=N/c3ccccc3O)cc2c1	ZINC000095595090	185013817	/nfs/dbraw/zinc/01/38/17/185013817.db2.gz	ZZRSMTUFVWWYLA-VCHYOVAHSA-N	0	0	278.311	3.293	1	30		CGEFRN
O=C1C=CC2(C=C1)OC[C@@H](c1cccc(-c3ccco3)c1)O2	ZINC000096916842	185130317	/nfs/dbraw/zinc/13/03/17/185130317.db2.gz	PGBQRRZRQPTILG-KRWDZBQOSA-N	0	0	294.306	3.426	1	30		CGEFRN
O=C(NO)c1cc2cccc(C(F)(F)F)c2s1	ZINC000096924289	185131205	/nfs/dbraw/zinc/13/12/05/185131205.db2.gz	QLVIXQXYPBGPPV-UHFFFAOYSA-N	0	0	261.224	3.039	1	30		CGEFRN
CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OC(C)C	ZINC000084668361	178911083	/nfs/dbraw/zinc/91/10/83/178911083.db2.gz	WWSXXWKAQCKDCX-AGFGORMFSA-N	0	0	250.338	3.056	1	30		CGEFRN
CCCCCCCC[C@@]1(O)OC(=O)c2c1cccc2O	ZINC000084703631	178917385	/nfs/dbraw/zinc/91/73/85/178917385.db2.gz	UYHZHIVTBCMZQW-MRXNPFEDSA-N	0	0	278.348	3.458	1	30		CGEFRN
C=C1C(=O)C[C@H]2[C@H]3[C@@H]1[C@]2(COC(C)=O)CCCC3(C)C	ZINC000085997804	179214389	/nfs/dbraw/zinc/21/43/89/179214389.db2.gz	KTMFYMFFCCKGCP-GUSZCTEKSA-N	0	0	276.376	3.137	1	30		CGEFRN
Cc1cc2[nH]c3c(C#N)c4c(c(=O)n3c2cc1C)CCCC4	ZINC000102978415	185801975	/nfs/dbraw/zinc/80/19/75/185801975.db2.gz	BJHFPDNBYNUTEB-UHFFFAOYSA-N	0	0	291.354	3.148	1	30		CGEFRN
CSC(=S)N/N=C\c1ccc(Br)cc1	ZINC000033280127	368961195	/nfs/dbraw/zinc/96/11/95/368961195.db2.gz	IRHSUEYPHSATNP-WDZFZDKYSA-N	0	0	289.223	3.021	1	30		CGEFRN
CN(C)c1ncnc2ccc(-c3ccccc3C#N)cc21	ZINC000004268408	169951397	/nfs/dbraw/zinc/95/13/97/169951397.db2.gz	JWUCIMHEMUXNFL-UHFFFAOYSA-N	0	0	274.327	3.234	1	30		CGEFRN
COc1ccc2c(c1)Cc1cc(N(O)C(C)=O)ccc1-2	ZINC000005159949	170072195	/nfs/dbraw/zinc/07/21/95/170072195.db2.gz	SFPAEGCYIUPPKK-UHFFFAOYSA-N	0	0	269.300	3.009	1	30		CGEFRN
C=C(C(=O)OC)[C@@H]1CCC2=CC(=O)C[C@H](C)[C@@]2(C)C1	ZINC000028468953	171559921	/nfs/dbraw/zinc/55/99/21/171559921.db2.gz	HYCLQHMKASMFHG-KANYHAFZSA-N	0	0	262.349	3.057	1	30		CGEFRN
C=CCNC(=O)C(C)(C)[C@H](O)CCCCCCC	ZINC000044406705	175171596	/nfs/dbraw/zinc/17/15/96/175171596.db2.gz	MHAHJIOUYCWVQO-CYBMUJFWSA-N	0	0	255.402	3.036	1	30		CGEFRN
C[C@H]1C[C@@H](O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045261655	175337154	/nfs/dbraw/zinc/33/71/54/175337154.db2.gz	JQJZUJOSCOJKOM-MGPLVRAMSA-N	0	0	252.317	3.104	1	30		CGEFRN
CNc1nc(C)c(C(=O)/C=C/c2ccccc2)s1	ZINC000071295109	176112124	/nfs/dbraw/zinc/11/21/24/176112124.db2.gz	FFZKLRWVNFFAQI-CMDGGOBGSA-N	0	0	258.346	3.389	1	30		CGEFRN
C[C@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100452977	279642901	/nfs/dbraw/zinc/64/29/01/279642901.db2.gz	SDOLIJFTCFQHDR-YANUDECOSA-N	0	0	292.295	3.481	1	30		CGEFRN
Cc1c2cc(C#N)ccc2[nH]c1C1(O)CCCCC1	ZINC000061969055	525941375	/nfs/dbraw/zinc/94/13/75/525941375.db2.gz	PDBARLIENHDHGH-UHFFFAOYSA-N	0	0	254.333	3.500	3	30		CGEFRN
C=C[C@H]1Cc2nc(C)nc(N(C)c3ccc(OC)cc3)c2C1	ZINC000096934254	185133021	/nfs/dbraw/zinc/13/30/21/185133021.db2.gz	FWSVVXHADICGCY-CYBMUJFWSA-N	0	0	295.386	3.462	1	30		CGEFRN
CO/N=C1\CCCCCCCCCCC(=O)NCC1	ZINC000103167657	185813252	/nfs/dbraw/zinc/81/32/52/185813252.db2.gz	MYFMEYROOPWPNE-SAPNQHFASA-N	0	0	268.401	3.410	1	30		CGEFRN
N#CC[C@@]1(c2ccc(Cl)cc2)NC(=O)c2ccccc21	ZINC000005538405	170110504	/nfs/dbraw/zinc/11/05/04/170110504.db2.gz	FZWARFMCVUIAIA-INIZCTEOSA-N	0	0	282.730	3.241	1	30		CGEFRN
CC[C@H](C=O)[P@]1(=O)OC(C)(C)CN1C(C)(C)C	ZINC000006002116	170167109	/nfs/dbraw/zinc/16/71/09/170167109.db2.gz	KCPBRZSTCIPDLY-QGHHPUGFSA-N	0	0	261.302	3.066	1	30		CGEFRN
O=C([O-])C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1	ZINC000006118635	170177167	/nfs/dbraw/zinc/17/71/67/170177167.db2.gz	COJVTPTZQDOKNQ-CMDGGOBGSA-O	0	0	290.342	3.382	1	30		CGEFRN
O=c1cc(-c2ccccc2)oc2cc(OC[C@@H]3CO3)ccc12	ZINC000029549766	171602824	/nfs/dbraw/zinc/60/28/24/171602824.db2.gz	HRBONZGCDXSQOZ-CQSZACIVSA-N	0	0	294.306	3.238	1	30		CGEFRN
CC(=O)OC(/C=C/c1ccccc1)=C1C(=O)C(C)=C(C)C1=O	ZINC000043543954	175064197	/nfs/dbraw/zinc/06/41/97/175064197.db2.gz	NHSXHBZASODDIC-MDZDMXLPSA-N	0	0	296.322	3.005	1	30		CGEFRN
COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc(C)cc2)cc1	ZINC000045349585	175361782	/nfs/dbraw/zinc/36/17/82/175361782.db2.gz	ZWEVSAWMQRODSL-IAGOWNOFSA-N	0	0	268.312	3.326	1	30		CGEFRN
C#CC1(NCc2coc(-c3ccco3)n2)CCCCC1	ZINC000072174745	176333608	/nfs/dbraw/zinc/33/36/08/176333608.db2.gz	BEOWEBDCJNPNQQ-UHFFFAOYSA-N	0	0	270.332	3.360	1	30		CGEFRN
CC(C)[C@]1(C)OC(=NC2CCCCCC2)NC1=O	ZINC000028823980	581091735	/nfs/dbraw/zinc/09/17/35/581091735.db2.gz	BHQAPEMYHALQKW-AWEZNQCLSA-N	0	0	252.358	3.467	1	30		CGEFRN
CCCCCC[S@@](=O)C1=CC(=O)c2ccccc2C1=O	ZINC000095590544	185014014	/nfs/dbraw/zinc/01/40/14/185014014.db2.gz	MWVLAUDNGWLVBH-FQEVSTJZSA-N	0	0	290.384	3.279	1	30		CGEFRN
C#CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1	ZINC000095605295	185015311	/nfs/dbraw/zinc/01/53/11/185015311.db2.gz	MAFTZLXVWCETJT-UHFFFAOYSA-N	0	0	292.290	3.178	1	30		CGEFRN
CCOC(=O)c1cc(C#N)n2ccc(-c3ccncc3)cc12	ZINC000103270506	185824012	/nfs/dbraw/zinc/82/40/12/185824012.db2.gz	PQYMPWGKXIDMMV-UHFFFAOYSA-N	0	0	291.310	3.050	1	30		CGEFRN
COCC#C[C@]1(C2CC2)OC(=O)Nc2ccc(Cl)cc21	ZINC000006482878	170205096	/nfs/dbraw/zinc/20/50/96/170205096.db2.gz	MSFCQLQAPPROAG-OAHLLOKOSA-N	0	0	291.734	3.157	1	30		CGEFRN
C=C[C@@H](c1ccccc1)c1cc(O)c(OC)cc1O	ZINC000013431260	170549669	/nfs/dbraw/zinc/54/96/69/170549669.db2.gz	OUERCVVUXKKXCW-LBPRGKRZSA-N	0	0	256.301	3.424	1	30		CGEFRN
C#C[C@H](O)[C@]1(C)CC[C@@H]2c3ccc(O)cc3CC[C@H]2C1	ZINC000026396366	171481957	/nfs/dbraw/zinc/48/19/57/171481957.db2.gz	PGUHDYUGHBUNJJ-XDKFSHSGSA-N	0	0	270.372	3.223	1	30		CGEFRN
CCC1(CC)OC(=NC2Cc3ccccc3C2)NC1=O	ZINC000028824008	171576415	/nfs/dbraw/zinc/57/64/15/171576415.db2.gz	OZSIGRLWMOSVCF-UHFFFAOYSA-N	0	0	272.348	3.055	1	30		CGEFRN
COc1cc(/C=C/C(C)=O)ccc1OCCCF	ZINC000035050561	171952721	/nfs/dbraw/zinc/95/27/21/171952721.db2.gz	RSAYFTUGNKFWFE-SNAWJCMRSA-N	0	0	252.285	3.036	1	30		CGEFRN
C=CC=C1C(=O)c2ccccc2C(=O)C1Br	ZINC000039044739	174162016	/nfs/dbraw/zinc/16/20/16/174162016.db2.gz	AJXHEKLZOGODHW-UHFFFAOYSA-N	0	0	277.117	3.291	1	30		CGEFRN
C=C1C(=O)O[C@@H](c2ccc(Br)cc2)[C@H]1C	ZINC000040404487	174253591	/nfs/dbraw/zinc/25/35/91/174253591.db2.gz	WRHLXUQAAKKERL-WRWORJQWSA-N	0	0	267.122	3.239	1	30		CGEFRN
N#Cc1cc2c(N)c(-c3ccccc3)c(=O)[nH]c2cc1Cl	ZINC000040767100	174397988	/nfs/dbraw/zinc/39/79/88/174397988.db2.gz	UOPNYVZIXYKEFV-UHFFFAOYSA-N	0	0	295.729	3.302	1	30		CGEFRN
O=[N+]([O-])c1ccccc1C=NNc1ccnc2ccccc21	ZINC000045189713	175326444	/nfs/dbraw/zinc/32/64/44/175326444.db2.gz	MQTKDDJFPIBTLA-WOJGMQOQSA-N	0	0	292.298	3.011	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1ccccn1	ZINC000045302173	175355128	/nfs/dbraw/zinc/35/51/28/175355128.db2.gz	PONYFZOBEMIHEE-YBFXNURJSA-N	0	0	278.315	3.084	1	30		CGEFRN
Cc1cccc(Oc2ccc(/C(=N/O)N3CCCC3)cn2)c1	ZINC000072101359	176315983	/nfs/dbraw/zinc/31/59/83/176315983.db2.gz	YOWPFDKFPRKENB-ZPHPHTNESA-N	0	0	297.358	3.414	1	30		CGEFRN
C=C(C)OC(=O)N1c2cc(F)ccc2NC(=O)[C@@H]1CC	ZINC000013474545	136378801	/nfs/dbraw/zinc/37/88/01/136378801.db2.gz	DLUOGGMZMCGJLM-NSHDSACASA-N	0	0	278.283	3.033	1	30		CGEFRN
CC(C)(C)c1csc(N(CCC#N)CCC#N)n1	ZINC000002471048	169793614	/nfs/dbraw/zinc/79/36/14/169793614.db2.gz	GURTWRLCPREQFJ-UHFFFAOYSA-N	0	0	262.382	3.074	3	30		CGEFRN
CCCc1cnc(C(=O)/C=C/c2ccc(N(C)C)cc2)cn1	ZINC000005839212	170146233	/nfs/dbraw/zinc/14/62/33/170146233.db2.gz	RADPDBWPCSONNP-DHZHZOJOSA-N	0	0	295.386	3.391	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1ccc(O)cc1	ZINC000005929152	170156588	/nfs/dbraw/zinc/15/65/88/170156588.db2.gz	URIYEAGAUYKOIT-YBFXNURJSA-N	0	0	293.326	3.395	1	30		CGEFRN
C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000006067599	170173430	/nfs/dbraw/zinc/17/34/30/170173430.db2.gz	PMRPCJXLEQCTBH-RRCSTGOVSA-N	0	0	266.381	3.073	1	30		CGEFRN
C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]43)[C@@H]1CC(=O)O2	ZINC000027318062	171513076	/nfs/dbraw/zinc/51/30/76/171513076.db2.gz	FQQHVSFAMZVCCT-WVCIDPQESA-N	0	0	274.360	3.034	1	30		CGEFRN
CNc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N	ZINC000033855457	171822934	/nfs/dbraw/zinc/82/29/34/171822934.db2.gz	SNEFUNCZVQUSKN-UHFFFAOYSA-N	0	0	260.511	3.432	1	30		CGEFRN
CC1(C)CCC2=C(O1)c1cc(Cl)ccc1C(=O)C2=O	ZINC000038816194	174156142	/nfs/dbraw/zinc/15/61/42/174156142.db2.gz	RTDZBRHYOPGZAM-UHFFFAOYSA-N	0	0	276.719	3.406	1	30		CGEFRN
N#Cc1ccc([C@H](c2cccc3[nH]ccc32)n2cncn2)cc1	ZINC000040395550	174252547	/nfs/dbraw/zinc/25/25/47/174252547.db2.gz	BCRRIKIKOULTLC-GOSISDBHSA-N	0	0	299.337	3.269	1	30		CGEFRN
CNc1nc2ccccc2n2c(-c3cccc(C#N)c3)cnc12	ZINC000043022604	174945576	/nfs/dbraw/zinc/94/55/76/174945576.db2.gz	CHKCIXVXVLNZQP-UHFFFAOYSA-N	0	0	299.337	3.463	1	30		CGEFRN
N#Cc1ccc(Cn2cncc2-c2ccccc2)cc1	ZINC000045358257	175361986	/nfs/dbraw/zinc/36/19/86/175361986.db2.gz	HPKNNFRLCPHIRD-UHFFFAOYSA-N	0	0	259.312	3.470	1	30	in-vivo	CGEFRN
N#Cc1cc(Cn2cncn2)cc(-c2ccc(F)cc2)c1	ZINC000045369853	175363611	/nfs/dbraw/zinc/36/36/11/175363611.db2.gz	BWJDKVHWCIEYMO-UHFFFAOYSA-N	0	0	278.290	3.004	1	30		CGEFRN
O=C1c2c(cccc2O)O/C1=C\c1ccccc1F	ZINC000072106682	176316428	/nfs/dbraw/zinc/31/64/28/176316428.db2.gz	LACXMPZKSZMQHC-JYRVWZFOSA-N	0	0	256.232	3.148	1	30		CGEFRN
CC(C)N/C(=N\O)c1ccc(Oc2ccc(F)cc2)nc1	ZINC000072183357	176335118	/nfs/dbraw/zinc/33/51/18/176335118.db2.gz	KAEAYCOKTMFKKP-UHFFFAOYSA-N	0	0	289.310	3.147	1	30		CGEFRN
C/C(=N\OC(=O)c1cc(F)ccc1F)c1nccs1	ZINC000049112250	518470518	/nfs/dbraw/zinc/47/05/18/518470518.db2.gz	JHUKPHYAOBESJR-FRKPEAEDSA-N	0	0	282.271	3.002	1	30		CGEFRN
N#Cc1ccc(C2=NO[C@@H]3CCC[C@H]23)c(C(F)(F)F)c1	ZINC000095575510	185011576	/nfs/dbraw/zinc/01/15/76/185011576.db2.gz	UFDAVUOYTGQPPZ-CMPLNLGQSA-N	0	0	280.249	3.480	1	30		CGEFRN
C=C[C@@H](C[C@H](O)c1ccc(O)cc1)c1ccc(O)cc1	ZINC000084757278	178924628	/nfs/dbraw/zinc/92/46/28/178924628.db2.gz	DHPAADOIIQYBKZ-SJCJKPOMSA-N	0	0	270.328	3.491	1	30		CGEFRN
O=C(Cn1cc(/C=N\O)c2ccccc21)Nc1ccccc1	ZINC000101536949	185743691	/nfs/dbraw/zinc/74/36/91/185743691.db2.gz	LFCFBKOPNVSAMW-ZDLGFXPLSA-N	0	0	293.326	3.088	2	30		CGEFRN
C#CCON=CNc1cc(Cl)c(CC#C)c(Cl)c1	ZINC000103181661	185814247	/nfs/dbraw/zinc/81/42/47/185814247.db2.gz	OHVPIWZZMSILPC-UHFFFAOYSA-N	0	0	281.142	3.174	1	30		CGEFRN
CC[C@H](C)C(=O)Oc1ccc(OC)cc1[C@H]1O[C@H]1C	ZINC000085616672	290863402	/nfs/dbraw/zinc/86/34/02/290863402.db2.gz	VXWVNVFBEJTTKA-BHDSKKPTSA-N	0	0	264.321	3.107	1	30	endogenous,in-man	CGEFRN
COC(=O)[C@@]1(C)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@]32C)C1	ZINC000027727964	171530491	/nfs/dbraw/zinc/53/04/91/171530491.db2.gz	JFPRTDXRHXOBRN-LGRHPFTQSA-N	0	0	288.387	3.447	1	30		CGEFRN
COc1cccc(/C=C/C(=O)c2ccccc2N)c1	ZINC000027756849	171531869	/nfs/dbraw/zinc/53/18/69/171531869.db2.gz	HLACPUXQYWKWKR-MDZDMXLPSA-N	0	0	253.301	3.174	1	30		CGEFRN
Cc1cc2c(C#Cc3ccc(F)cc3)nc(C)cn2c1	ZINC000029125623	171586721	/nfs/dbraw/zinc/58/67/21/171586721.db2.gz	ZVAYWVFHCSJDIG-UHFFFAOYSA-N	0	0	264.303	3.490	1	30		CGEFRN
C=C1C(=O)O[C@@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000040404490	174253717	/nfs/dbraw/zinc/25/37/17/174253717.db2.gz	WRHLXUQAAKKERL-RDDDGLTNSA-N	0	0	267.122	3.239	1	30		CGEFRN
CC(C)=C(C)[C@@H]1CC2=C(O1)C(=O)c1ccccc1C2=O	ZINC000040876897	174427253	/nfs/dbraw/zinc/42/72/53/174427253.db2.gz	OCFCZRKHWGEMCY-AWEZNQCLSA-N	0	0	268.312	3.465	1	30		CGEFRN
Nc1nc(-c2cccnc2)cn1/N=C/c1ccc(Cl)cc1	ZINC000045393114	175375348	/nfs/dbraw/zinc/37/53/48/175375348.db2.gz	UFQNUARXPLOHOS-UFWORHAWSA-N	0	0	297.749	3.063	1	30		CGEFRN
COc1cccc(OC)c1/C=C1\Oc2cccc(O)c2C1=O	ZINC000072105394	176316442	/nfs/dbraw/zinc/31/64/42/176316442.db2.gz	ULJFSMZBRTUWFI-DHDCSXOGSA-N	0	0	298.294	3.026	1	30		CGEFRN
CN(C)c1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N	ZINC000058568629	522320505	/nfs/dbraw/zinc/32/05/05/522320505.db2.gz	JFUSZWUSPUDEKV-UHFFFAOYSA-N	0	0	282.734	3.211	1	30		CGEFRN
COc1ccc(/C=C2\Oc3ccccc3C2=O)c(O)c1	ZINC000095579927	185011516	/nfs/dbraw/zinc/01/15/16/185011516.db2.gz	AHJCEAPPPLHECU-NVNXTCNLSA-N	0	0	268.268	3.017	1	30		CGEFRN
CC1(C)CC(=O)C(=C2SCCCS2)C(=O)C1	ZINC000005302721	170084590	/nfs/dbraw/zinc/08/45/90/170084590.db2.gz	LPHPXWBYHXXWEX-UHFFFAOYSA-N	0	0	256.392	3.026	3	30		CGEFRN
Cc1nc(C#Cc2cncc(-c3ccccn3)c2)cs1	ZINC000028347029	171556875	/nfs/dbraw/zinc/55/68/75/171556875.db2.gz	XUWOPDSTCQMYBU-UHFFFAOYSA-N	0	0	277.352	3.308	1	30		CGEFRN
Cc1cccc(C#CCOc2ccccc2Cl)n1	ZINC000040568242	174337952	/nfs/dbraw/zinc/33/79/52/174337952.db2.gz	RTTKTBRUPLMMFE-UHFFFAOYSA-N	0	0	257.720	3.474	1	30		CGEFRN
C#CCSc1c(SCC#CCO)cnc2ccccc21	ZINC000040898321	174429236	/nfs/dbraw/zinc/42/92/36/174429236.db2.gz	MYAQVQSUYORPFK-UHFFFAOYSA-N	0	0	299.420	3.048	1	30		CGEFRN
C=C(C)[C@@H]1CCc2cnc3cc(C)oc(=O)c3c2C1	ZINC000040936010	174437108	/nfs/dbraw/zinc/43/71/08/174437108.db2.gz	FYHXOOBGLYFJIC-LLVKDONJSA-N	0	0	255.317	3.177	1	30		CGEFRN
NC(=S)N/N=C(/C=C/c1ccccc1F)c1ccccc1	ZINC000072118074	176319079	/nfs/dbraw/zinc/31/90/79/176319079.db2.gz	IYXBOIUCIHUDMS-WYNJXFTKSA-N	0	0	299.374	3.076	1	30		CGEFRN
Cc1ccc(C(/C=C/c2ccccc2)=N\NC(N)=S)cc1	ZINC000072118468	176319218	/nfs/dbraw/zinc/31/92/18/176319218.db2.gz	VPKCMZUUHKVTQG-GMPOYPNHSA-N	0	0	295.411	3.246	1	30		CGEFRN
C/C(=N\OC(=O)/C=C/c1ccccc1)c1nccs1	ZINC000049068335	518468709	/nfs/dbraw/zinc/46/87/09/518468709.db2.gz	MPNYRZDWPNJYCW-LLDULDGKSA-N	0	0	272.329	3.124	1	30		CGEFRN
O=C(/C=C/C(=O)c1ccc(F)cc1)Nc1ccccc1	ZINC000095592155	185014486	/nfs/dbraw/zinc/01/44/86/185014486.db2.gz	SFKKLZCLZQAPMT-ZHACJKMWSA-N	0	0	269.275	3.203	1	30		CGEFRN
COc1cccc(/C=C2\COc3cc(O)ccc3C2=O)c1	ZINC000096917525	185130118	/nfs/dbraw/zinc/13/01/18/185130118.db2.gz	SVRAENJUVJKTEI-KPKJPENVSA-N	0	0	282.295	3.060	1	30		CGEFRN
CCCCNC(=S)NN=Cc1cc(C)ccc1C	ZINC000008801753	170356400	/nfs/dbraw/zinc/35/64/00/170356400.db2.gz	BKPHTKNXTNUKNK-MHWRWJLKSA-N	0	0	263.410	3.313	3	30		CGEFRN
Cc1noc(NC2=CC(=O)C(=O)c3ccccc32)c1C	ZINC000017257248	170731521	/nfs/dbraw/zinc/73/15/21/170731521.db2.gz	FEPDERIRTCSDKL-FOWTUZBSSA-N	0	0	268.272	3.050	1	30		CGEFRN
C(#CC1=CC[C@@H](Nc2cccnc2)CC1)c1ccccn1	ZINC000028526535	171562388	/nfs/dbraw/zinc/56/23/88/171562388.db2.gz	BARKOPROXAJBFB-QGZVFWFLSA-N	0	0	275.355	3.419	1	30		CGEFRN
CC[C@H](C)N(C)c1cc(C(F)(F)F)c(C#N)cn1	ZINC000028950632	171581373	/nfs/dbraw/zinc/58/13/73/171581373.db2.gz	WMYGSHNEJKIIII-QMMMGPOBSA-N	0	0	257.259	3.207	1	30		CGEFRN
CC[C@@H](C)N(C)c1cc(C(F)(F)F)c(C#N)cn1	ZINC000028950630	171581407	/nfs/dbraw/zinc/58/14/07/171581407.db2.gz	WMYGSHNEJKIIII-MRVPVSSYSA-N	0	0	257.259	3.207	1	30		CGEFRN
CCCCNc1c(F)c(C#N)c(F)c(F)c1C#N	ZINC000033855750	171822982	/nfs/dbraw/zinc/82/29/82/171822982.db2.gz	NZBOLLIAWKRZNT-UHFFFAOYSA-N	0	0	253.227	3.059	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1ccncc1	ZINC000045201051	175327070	/nfs/dbraw/zinc/32/70/70/175327070.db2.gz	KPKNQAMNJYAWRT-YBFXNURJSA-N	0	0	278.315	3.084	1	30		CGEFRN
CCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1	ZINC000045366868	175363140	/nfs/dbraw/zinc/36/31/40/175363140.db2.gz	LKOKEOYUZBYMCC-GZTJUZNOSA-N	0	0	285.303	3.063	1	30	in-vivo	CGEFRN
CO/N=C(/c1ccc(C(F)(F)F)cc1)c1cccnc1	ZINC000072185679	176335627	/nfs/dbraw/zinc/33/56/27/176335627.db2.gz	KXWVAZYHMJVRRN-UYRXBGFRSA-N	0	0	280.249	3.499	1	30		CGEFRN
CCCCCCC[C@@H]1O[C@H]1CC#CC#C[C@H](O)CC	ZINC000068297143	574415415	/nfs/dbraw/zinc/41/54/15/574415415.db2.gz	WDZQEROINMBCOK-IKGGRYGDSA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
O=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21	ZINC000095550090	185008035	/nfs/dbraw/zinc/00/80/35/185008035.db2.gz	IVACPRKQWLVKLQ-VKAVYKQESA-N	0	0	265.268	3.260	1	30		CGEFRN
COc1ccc(N(C)c2nc(Cl)ccc2C#N)cc1	ZINC000095597179	185015222	/nfs/dbraw/zinc/01/52/22/185015222.db2.gz	KMASHFJLYGKXPE-UHFFFAOYSA-N	0	0	273.723	3.383	1	30		CGEFRN
CCOC(=O)c1c(C)nc2c3ccccc3c(C#N)c(C)n21	ZINC000013219142	170540473	/nfs/dbraw/zinc/54/04/73/170540473.db2.gz	RDSSDVKTIGYWMI-UHFFFAOYSA-N	0	0	293.326	3.153	1	30		CGEFRN
COc1ccc(/C=C2\Nc3ccccc3C2=O)cc1O	ZINC000040402444	174253861	/nfs/dbraw/zinc/25/38/61/174253861.db2.gz	VSISFDIWZMGKJD-JYRVWZFOSA-N	0	0	267.284	3.050	1	30		CGEFRN
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cc1)NO	ZINC000045299360	175354995	/nfs/dbraw/zinc/35/49/95/175354995.db2.gz	ONDLOIBGONWCIR-DCIPZJNNSA-N	0	0	293.322	3.101	1	30		CGEFRN
C#CCOc1cc(OCCCC)nc2ccccc21	ZINC000049109657	518319969	/nfs/dbraw/zinc/31/99/69/518319969.db2.gz	ZVWXALUIQTVVQI-UHFFFAOYSA-N	0	0	255.317	3.426	1	30		CGEFRN
C=C1C=CC(=O)c2ccc3cc(O)c(OC)c(OC)c3c21	ZINC000095912027	560057621	/nfs/dbraw/zinc/05/76/21/560057621.db2.gz	KBPCVDBFVAHJRF-UHFFFAOYSA-N	0	0	282.295	3.328	1	30	biogenic,in-vitro	CGEFRN
CCCCCCC[C@@H]1O[C@@H]1CC#CC#C[C@@H](O)CC	ZINC000014253959	571704522	/nfs/dbraw/zinc/70/45/22/571704522.db2.gz	WDZQEROINMBCOK-YESZJQIVSA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
Cc1cc(O)c([C@@H](C)CC[C@H]2OC2(C)C)cc1O	ZINC000095577366	185011160	/nfs/dbraw/zinc/01/11/60/185011160.db2.gz	QZCXPMLWPINATB-LKFCYVNXSA-N	0	0	250.338	3.467	1	30		CGEFRN
O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NO	ZINC000095587263	185011955	/nfs/dbraw/zinc/01/19/55/185011955.db2.gz	LOOCMEANYXITRW-MWABVPJASA-N	0	0	285.387	3.420	1	30		CGEFRN
O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3ccoc3)cc1)O2	ZINC000096916745	185130196	/nfs/dbraw/zinc/13/01/96/185130196.db2.gz	JHYTZIZJQZDCDJ-QGZVFWFLSA-N	0	0	294.306	3.426	1	30		CGEFRN
O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1ccc(Cl)cc1)O2	ZINC000096916769	185130397	/nfs/dbraw/zinc/13/03/97/185130397.db2.gz	AKZHRZUIBCUOSK-ZIAGYGMSSA-N	0	0	297.137	3.386	1	30		CGEFRN
O=C(/C=C/c1ccc2c(ccn2Cc2ccccc2)c1)NO	ZINC000084759406	178924822	/nfs/dbraw/zinc/92/48/22/178924822.db2.gz	YQLQCIOXDXYBHW-VQHVLOKHSA-N	0	0	292.338	3.208	1	30		CGEFRN
COc1cccc(CN=Nc2cnc3ccccc3n2)c1	ZINC000103257997	185822959	/nfs/dbraw/zinc/82/29/59/185822959.db2.gz	PEHJBHFDJIZNRJ-VCHYOVAHSA-N	0	0	278.315	3.084	1	30		CGEFRN
Clc1ncoc1-c1cn(C[C@@H]2CO2)c2ccccc12	ZINC000103292202	185827400	/nfs/dbraw/zinc/82/74/00/185827400.db2.gz	ZRRJSJVBRDMPHS-SECBINFHSA-N	0	0	274.707	3.349	1	30		CGEFRN
CCOC(=O)Nc1[nH]cc(-c2ccccc2)c1C#N	ZINC000001858311	169760919	/nfs/dbraw/zinc/76/09/19/169760919.db2.gz	LFNHGADCOOVAMU-UHFFFAOYSA-N	0	0	255.277	3.122	1	30		CGEFRN
N#C[C@@H](Cc1ccc(O)c(F)c1)c1ccc(O)cc1	ZINC000040876760	174427430	/nfs/dbraw/zinc/42/74/30/174427430.db2.gz	IEDQGJLNQLQYSA-GFCCVEGCSA-N	0	0	257.264	3.087	1	30		CGEFRN
N#C[C@H](c1ccc(O)cc1)[C@@H](CF)c1ccc(O)cc1	ZINC000040876745	174427491	/nfs/dbraw/zinc/42/74/91/174427491.db2.gz	HSOXABGECKFZEP-JKSUJKDBSA-N	0	0	271.291	3.458	1	30		CGEFRN
CCOC(/C=C/c1ccccc1)=C1C(=O)C(C)=C(C)C1=O	ZINC000043544056	175064176	/nfs/dbraw/zinc/06/41/76/175064176.db2.gz	DYPWGLWRVJEOCL-ZHACJKMWSA-N	0	0	282.339	3.479	1	30		CGEFRN
Cc1nn(-c2ccccc2)c2c1/C(=N/c1ccccn1)CO2	ZINC000071295729	176112089	/nfs/dbraw/zinc/11/20/89/176112089.db2.gz	ZGUXIQORWCSMHT-XMHGGMMESA-N	0	0	290.326	3.089	1	30		CGEFRN
CC(C)=CC[C@H](C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000059586310	560082997	/nfs/dbraw/zinc/08/29/97/560082997.db2.gz	SZEKGZQATZSUSA-JTQLQIEISA-N	0	0	286.327	3.396	1	30	biogenic,in-vitro	CGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\[C@@H](OC(C)=O)[C@H]12	ZINC000100780866	571834307	/nfs/dbraw/zinc/83/43/07/571834307.db2.gz	ORJVLIMAQARNOU-SYJZYFECSA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
N#Cc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1	ZINC000095583259	185012405	/nfs/dbraw/zinc/01/24/05/185012405.db2.gz	PXLRIDIOCCNJAD-INIZCTEOSA-N	0	0	262.312	3.294	1	30		CGEFRN
O=C1C=CC(=O)[C@@H]2[C@H]1Cc1ccccc1[C@@H]2c1ccccc1	ZINC000105484871	186060092	/nfs/dbraw/zinc/06/00/92/186060092.db2.gz	QNBAWRLRUSCAMO-VDGAXYAQSA-N	0	0	288.346	3.315	1	30		CGEFRN
C=CCSc1nnc2c3cc(OCC)ccc3[nH]c2n1	ZINC000004861465	170032359	/nfs/dbraw/zinc/03/23/59/170032359.db2.gz	CPTOYTOGCNLZHV-UHFFFAOYSA-N	0	0	286.360	3.183	1	30		CGEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)[C@@H](OC(C)=O)C[C@@H]12	ZINC000013585375	170566161	/nfs/dbraw/zinc/56/61/61/170566161.db2.gz	DPXBPEOSQDXEQD-GCCJCWQESA-N	0	0	290.359	3.092	1	30		CGEFRN
Nc1ccccc1C#C/C=C\C#Cc1ccccc1[N+](=O)[O-]	ZINC000040394768	174252760	/nfs/dbraw/zinc/25/27/60/174252760.db2.gz	MINDMMVLVQSNEF-UPHRSURJSA-N	0	0	288.306	3.136	1	30		CGEFRN
C[C@H]1C/C(=N/O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045253743	175336621	/nfs/dbraw/zinc/33/66/21/175336621.db2.gz	KILRDCUJPOLGKG-FQWVMZTNSA-N	0	0	265.316	3.249	1	30		CGEFRN
CC(C)c1ccc(/C=C/C(=O)C(=O)NC(C)(C)C)cc1	ZINC000072172337	176333165	/nfs/dbraw/zinc/33/31/65/176333165.db2.gz	SUVIADYZTBNGIT-DHZHZOJOSA-N	0	0	273.376	3.307	1	30		CGEFRN
COc1ccc(-c2n[nH]nc2C2=CC(=O)CC(C)(C)C2)cc1	ZINC000061921121	523186363	/nfs/dbraw/zinc/18/63/63/523186363.db2.gz	OOPIIYQSIULGKM-UHFFFAOYSA-N	0	0	297.358	3.253	3	30		CGEFRN
C/C=C/C=C/[C@@H](O)C(F)(F)C(=O)/C=C/CCCC	ZINC000095581670	185011375	/nfs/dbraw/zinc/01/13/75/185011375.db2.gz	FKGFOFXDSNOJEH-PFEGBXPASA-N	0	0	258.308	3.430	1	30		CGEFRN
CC(=O)C(=C(N)c1ccc(Cl)o1)c1ccccc1	ZINC000096909044	185127478	/nfs/dbraw/zinc/12/74/78/185127478.db2.gz	JJIDZKMUUFCXBZ-BUHFOSPRSA-N	0	0	261.708	3.349	1	30		CGEFRN
C#CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1	ZINC000103240663	185819045	/nfs/dbraw/zinc/81/90/45/185819045.db2.gz	PXHOIJUPKMBBRQ-UHFFFAOYSA-N	0	0	292.290	3.178	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1ccc[nH]1	ZINC000043070703	174961767	/nfs/dbraw/zinc/96/17/67/174961767.db2.gz	KYZHJMTVDUFTHA-VCHYOVAHSA-N	0	0	266.304	3.018	1	30		CGEFRN
C=CCNC(=O)c1cn(Cc2ccccc2)c2ncccc12	ZINC000072323252	176369242	/nfs/dbraw/zinc/36/92/42/176369242.db2.gz	WLRGLSMIFSLUHK-UHFFFAOYSA-N	0	0	291.354	3.000	2	30		CGEFRN
C/C(=N/n1c(C)cs/c1=N/C(C)C)c1ccccc1	ZINC000006223595	326817858	/nfs/dbraw/zinc/81/78/58/326817858.db2.gz	YOYAMYGUUUSRJG-MWPXPLBMSA-N	0	0	273.405	3.439	1	30		CGEFRN
CCOC(=O)[C@H](C)O/N=C(C)/C=C/c1ccccc1	ZINC000049088503	521215369	/nfs/dbraw/zinc/21/53/69/521215369.db2.gz	BBPCIXVJALJGLQ-WUNUMGBGSA-N	0	0	261.321	3.044	1	30		CGEFRN
C=C(CCCCO)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1	ZINC000085549898	560071868	/nfs/dbraw/zinc/07/18/68/560071868.db2.gz	JPCBNOLAAJWSEX-TXTZMMAHSA-N	0	0	296.451	3.034	1	30	biogenic,in-vitro	CGEFRN
CSc1nc2[nH]cc(C#N)c2c(-c2ccc(C#N)cc2)n1	ZINC000095580603	185011299	/nfs/dbraw/zinc/01/12/99/185011299.db2.gz	TUQVBXKESFVUEH-UHFFFAOYSA-N	0	0	291.339	3.090	1	30		CGEFRN
C#CCOc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2	ZINC000095594098	185014592	/nfs/dbraw/zinc/01/45/92/185014592.db2.gz	GCCPSHOVOLBXJO-PZSREKOKSA-N	0	0	284.355	3.112	1	30		CGEFRN
O=C(Cc1ccc(OCCC2CCCCC2)cc1)NO	ZINC000095602662	185015290	/nfs/dbraw/zinc/01/52/90/185015290.db2.gz	FWNJTUVHYUSEDP-UHFFFAOYSA-N	0	0	277.364	3.084	1	30		CGEFRN
CN(C)c1cccc(-c2nnc(SCCCC#N)o2)c1	ZINC000004092748	529786649	/nfs/dbraw/zinc/78/66/49/529786649.db2.gz	KWXSHFONCBQGCT-UHFFFAOYSA-N	0	0	288.376	3.198	3	30		CGEFRN
CO/N=C1/C=C(C#Cc2csc(C[18F])n2)CCC1	ZINC000102115900	185770722	/nfs/dbraw/zinc/77/07/22/185770722.db2.gz	PQFTVQABLXGQCF-ITPINTSFSA-N	0	0	263.328	3.077	1	30		CGEFRN
C=C(C)[C@H]1C[C@H]2CC[C@@H]1[C@H]1[C@H](CC[C@]1(C)O)[C@]2(C)O	ZINC000085549893	290860584	/nfs/dbraw/zinc/86/05/84/290860584.db2.gz	FPFMUCXBJAQOOM-MIVAFSLGSA-N	0	0	264.409	3.137	1	30	biogenic,in-vitro	CGEFRN
CCCc1cnc(C(=O)/C=C/c2ccc(O)cc2)cn1	ZINC000006381658	170196620	/nfs/dbraw/zinc/19/66/20/170196620.db2.gz	TWWXJHDCUAAWEL-RMKNXTFCSA-N	0	0	268.316	3.031	1	30		CGEFRN
CC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccccc1	ZINC000008682067	170345175	/nfs/dbraw/zinc/34/51/75/170345175.db2.gz	BBQCLBDJNNZJKE-INIZCTEOSA-N	0	0	284.359	3.026	3	30		CGEFRN
C=CCOC(=O)C(=O)/C=C/c1csc2ccccc12	ZINC000013634538	170571031	/nfs/dbraw/zinc/57/10/31/170571031.db2.gz	OEEJZUYVHDKJBI-BQYQJAHWSA-N	0	0	272.325	3.213	3	30		CGEFRN
C#CCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1	ZINC000025975753	171468777	/nfs/dbraw/zinc/46/87/77/171468777.db2.gz	SZHOZGFSNCNPKT-UHFFFAOYSA-N	0	0	281.311	3.449	1	30		CGEFRN
C#CC(=O)[C@@]1(C)CC[C@H]2c3ccc(O)cc3CC[C@H]2C1	ZINC000026388647	171481661	/nfs/dbraw/zinc/48/16/61/171481661.db2.gz	HYTVYLVVJDEURY-XCRHUMRWSA-N	0	0	268.356	3.431	1	30		CGEFRN
N#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1	ZINC000040430127	174259348	/nfs/dbraw/zinc/25/93/48/174259348.db2.gz	ZECHSASRXYGVKD-UHFFFAOYSA-N	0	0	289.342	3.090	1	30		CGEFRN
COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1	ZINC000040878950	174427234	/nfs/dbraw/zinc/42/72/34/174427234.db2.gz	QRKZDMYQKYYFOV-UHFFFAOYSA-N	0	0	291.310	3.471	1	30		CGEFRN
O=C(NC1CCCC1)c1ccc(C#Cc2ccccc2)nc1	ZINC000043060560	174961497	/nfs/dbraw/zinc/96/14/97/174961497.db2.gz	GKYRUZWYDPUSOV-UHFFFAOYSA-N	0	0	290.366	3.154	1	30	in-vivo	CGEFRN
C=CCNC(=O)[C@@H]1C(=C)C(=O)O[C@H]1CCCCCCCC	ZINC000043968058	175129048	/nfs/dbraw/zinc/12/90/48/175129048.db2.gz	LEWYFELPVVLSMD-LSDHHAIUSA-N	0	0	293.407	3.137	1	30		CGEFRN
O=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1	ZINC000071318865	176122543	/nfs/dbraw/zinc/12/25/43/176122543.db2.gz	SMDLELADPFDJCZ-UHFFFAOYSA-N	0	0	260.292	3.305	1	30		CGEFRN
COc1cc(-c2ccccc2)nc(/C=N/O)c1SC	ZINC000072126037	176320729	/nfs/dbraw/zinc/32/07/29/176320729.db2.gz	ZUUILEHAHVINQF-OQLLNIDSSA-N	0	0	274.345	3.287	1	30		CGEFRN
CC(C)[C@@]1(C)OC(=NC2CCCCCC2)NC1=O	ZINC000028823979	581091736	/nfs/dbraw/zinc/09/17/36/581091736.db2.gz	BHQAPEMYHALQKW-CQSZACIVSA-N	0	0	252.358	3.467	1	30		CGEFRN
CCCCCCCc1c(C)n(O)c(C)c(C(C)=O)c1=O	ZINC000095582490	185012645	/nfs/dbraw/zinc/01/26/45/185012645.db2.gz	KZHQMPODKRYZCX-UHFFFAOYSA-N	0	0	279.380	3.418	1	30		CGEFRN
C=C[C@@H](O)/C=C/C#C[C@H](O)/C=C/CCCCCCC	ZINC000085831962	179184273	/nfs/dbraw/zinc/18/42/73/179184273.db2.gz	LCHMNLCUPRABCV-JDBNZFPXSA-N	0	0	262.393	3.371	1	30	endogenous,in-man	CGEFRN
CCC(=O)C1=C(NC(C)C)C[C@H](c2ccccc2)CC1=O	ZINC000101704236	185754211	/nfs/dbraw/zinc/75/42/11/185754211.db2.gz	MPRRKDHSOTYEDR-AWEZNQCLSA-N	0	0	285.387	3.364	3	30		CGEFRN
CCCCNC1=CC(=O)C(NCCCC)=CC1=O	ZINC000102892655	185795936	/nfs/dbraw/zinc/79/59/36/185795936.db2.gz	XEWQEFLPRCJWIE-NFLUSIDLSA-N	0	0	250.342	3.366	1	30		CGEFRN
CCC1(CC)CC(=NNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000005781489	170139850	/nfs/dbraw/zinc/13/98/50/170139850.db2.gz	IXWLSXKPNFSNNM-UHFFFAOYSA-N	0	0	294.420	3.230	1	30		CGEFRN
CNC(=S)N=NC(C)c1ccc(C(C)(C)C)cc1	ZINC000008692236	170345783	/nfs/dbraw/zinc/34/57/83/170345783.db2.gz	XZLUIHDURLKKNN-MHWRWJLKSA-N	0	0	263.410	3.213	3	30		CGEFRN
CON=C1c2ccccc2N=C1C1c2ccccc2NC1=O	ZINC000013559446	170562079	/nfs/dbraw/zinc/56/20/79/170562079.db2.gz	DLJNVUXERDSYFS-HMMYKYKNSA-N	0	0	291.310	3.358	1	30		CGEFRN
O=C(O/N=C/c1ccc(F)cc1F)c1ccc(F)cc1	ZINC000035823412	172423011	/nfs/dbraw/zinc/42/30/11/172423011.db2.gz	NKXHHGMRHLTKPP-QGMBQPNBSA-N	0	0	279.217	3.295	1	30		CGEFRN
COc1ccc(/C=N/n2sc3ccc(C)cc3c2=O)cc1	ZINC000040940133	174436770	/nfs/dbraw/zinc/43/67/70/174436770.db2.gz	GHVFQQIKUYGQOC-LICLKQGHSA-N	0	0	298.367	3.262	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1cccc(C)n1	ZINC000045202757	175327125	/nfs/dbraw/zinc/32/71/25/175327125.db2.gz	URCAVSDHCHGNFD-YBFXNURJSA-N	0	0	292.342	3.393	1	30		CGEFRN
C[C@H](NC(=O)C(=O)/C=C/c1ccccc1)c1ccccc1	ZINC000072172091	176333072	/nfs/dbraw/zinc/33/30/72/176333072.db2.gz	ATBVTIWIZZWMQG-FNDVETGQSA-N	0	0	279.339	3.146	1	30		CGEFRN
C#Cn1cc(-c2ccccc2)nc1C#Cc1ccc(OC)cc1	ZINC000072176211	176334177	/nfs/dbraw/zinc/33/41/77/176334177.db2.gz	QEHGANUBADDLRP-UHFFFAOYSA-N	0	0	298.345	3.397	1	30		CGEFRN
Cc1ccc(NC(=O)c2cc(F)cc(C#N)c2)cc1	ZINC000058499048	525233680	/nfs/dbraw/zinc/23/36/80/525233680.db2.gz	GPAUCXWPLAZCSE-UHFFFAOYSA-N	0	0	254.264	3.258	1	30		CGEFRN
CC1(C)C[C@H](c2ccc(C#N)cc2F)c2c[nH]nc21	ZINC000095584406	185011881	/nfs/dbraw/zinc/01/18/81/185011881.db2.gz	DKPBULSMFZCDET-LLVKDONJSA-N	0	0	255.296	3.234	1	30		CGEFRN
COc1cc(O)ccc1C(=O)/C=C/c1ccc(F)cc1	ZINC000096909619	185129449	/nfs/dbraw/zinc/12/94/49/185129449.db2.gz	FBDKBUZMOCDNPR-RUDMXATFSA-N	0	0	272.275	3.436	1	30		CGEFRN
CO[C@]1(C)C(=O)C=C(C(C)C)c2cc(C)c(O)cc21	ZINC000096922415	185131237	/nfs/dbraw/zinc/13/12/37/185131237.db2.gz	IMXAAFUJLPLVEW-INIZCTEOSA-N	0	0	260.333	3.184	1	30		CGEFRN
CCCCCCCc1nnc(-c2snnc2C)o1	ZINC000103217054	185817068	/nfs/dbraw/zinc/81/70/68/185817068.db2.gz	GXOGSOUXXAOJJE-UHFFFAOYSA-N	0	0	266.370	3.409	1	30		CGEFRN
CC(=O)N[C@@H]1CC/C(C)=C\CC(C)(C)/C=C/C(=O)[C@@H]1C	ZINC000169369635	188661193	/nfs/dbraw/zinc/66/11/93/188661193.db2.gz	CKYJUKSJPFBGFM-UAWVIJKQSA-N	0	0	277.408	3.409	1	30		CGEFRN
Cc1nc2ccccn2c1C=NNc1ccccc1C	ZINC000005072616	170064189	/nfs/dbraw/zinc/06/41/89/170064189.db2.gz	KPHQYXLCQFKEPP-GZTJUZNOSA-N	0	0	264.332	3.397	3	30		CGEFRN
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)cc2)C[C@H]1C	ZINC000005763481	170138286	/nfs/dbraw/zinc/13/82/86/170138286.db2.gz	XFETUZOSYZRHMX-OTYXRUKQSA-N	0	0	293.750	3.034	1	30		CGEFRN
C=CC[P@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C	ZINC000005813502	170142540	/nfs/dbraw/zinc/14/25/40/170142540.db2.gz	MYGKXPFVVGVJJU-BNLOLNQZSA-N	0	0	251.266	3.457	1	30		CGEFRN
Cn1c2ccccc2nc1/N=C/c1ccccc1[N+](=O)[O-]	ZINC000006456698	170203097	/nfs/dbraw/zinc/20/30/97/170203097.db2.gz	JMGAVSQEPJAUSS-MHWRWJLKSA-N	0	0	280.287	3.232	3	30		CGEFRN
Cc1cccc(C2N=NC(=S)N2N=Cc2ccco2)c1	ZINC000013108982	170531890	/nfs/dbraw/zinc/53/18/90/170531890.db2.gz	ZKLNVNFJFOJFNL-DHDCSXOGSA-N	0	0	284.344	3.017	1	30		CGEFRN
CC(=O)/C(=C\I)c1ccccc1	ZINC000017257869	170731413	/nfs/dbraw/zinc/73/14/13/170731413.db2.gz	YGFIPPXQZXTJHB-JXMROGBWSA-N	0	0	272.085	3.052	1	30		CGEFRN
CC1(C)C=C(N2CCCC2=O)c2cc(C#N)ccc2C1	ZINC000026990032	171505312	/nfs/dbraw/zinc/50/53/12/171505312.db2.gz	XZLCXGAKLAGUJW-UHFFFAOYSA-N	0	0	266.344	3.104	1	30		CGEFRN
C#C[C@]1(O)CC[C@H]([C@H]2CCc3cc(O)ccc3C2)C1(C)C	ZINC000028255976	171554241	/nfs/dbraw/zinc/55/42/41/171554241.db2.gz	HOIXFEOLLXNKQH-WDYCEAGBSA-N	0	0	284.399	3.298	1	30		CGEFRN
Oc1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1	ZINC000028463816	171559272	/nfs/dbraw/zinc/55/92/72/171559272.db2.gz	UVGIKSWSPYMWMO-MHWRWJLKSA-N	0	0	296.355	3.357	1	30		CGEFRN
C=C(CC)C(=O)c1ccc(O[C@H](C)C(=O)OC)c(C)c1C	ZINC000028713776	171572225	/nfs/dbraw/zinc/57/22/25/171572225.db2.gz	JHAMUYDNMYWYKU-CYBMUJFWSA-N	0	0	290.359	3.393	1	30		CGEFRN
CC1(C)CC(=O)c2ccc(C#Cc3ccccn3)nc2C1	ZINC000028968036	171582686	/nfs/dbraw/zinc/58/26/86/171582686.db2.gz	SCPSZEPCKKTLAC-UHFFFAOYSA-N	0	0	276.339	3.032	1	30		CGEFRN
O=C(O/N=C/c1cccc(F)c1F)c1ccccc1	ZINC000040753346	174395944	/nfs/dbraw/zinc/39/59/44/174395944.db2.gz	VWWOIZLYBWRHKE-RQZCQDPDSA-N	0	0	261.227	3.156	1	30		CGEFRN
COc1ccc(Br)c2c1C=C(C(C)=O)[C@@H](C)O2	ZINC000040835901	174418520	/nfs/dbraw/zinc/41/85/20/174418520.db2.gz	GKSOYHKQOWLPIY-MRVPVSSYSA-N	0	0	297.148	3.211	1	30		CGEFRN
C=C1C(=O)O[C@@H](CCCCCCCC)[C@H]1C(=O)OC	ZINC000043462853	175052173	/nfs/dbraw/zinc/05/21/73/175052173.db2.gz	SBMMJLBYJGMEFJ-STQMWFEESA-N	0	0	268.353	3.008	1	30		CGEFRN
CCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1	ZINC000071341666	176130384	/nfs/dbraw/zinc/13/03/84/176130384.db2.gz	UXIALOMGVLZUED-UHFFFAOYSA-N	0	0	283.306	3.297	1	30		CGEFRN
S=C(N/N=C1\CCc2ccccc21)Nc1ccccc1	ZINC000057615524	526382495	/nfs/dbraw/zinc/38/24/95/526382495.db2.gz	JJPYXCGGXFYVAG-OBGWFSINSA-N	0	0	281.384	3.324	1	30		CGEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@@H](OC(C)=O)[C@H]12	ZINC000059617650	571770796	/nfs/dbraw/zinc/77/07/96/571770796.db2.gz	ORJVLIMAQARNOU-SPTFZKTMSA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
CCCCCCC[C@@H](O)/C=C/C#CC#C[C@@H](O)CC	ZINC000085832011	179183805	/nfs/dbraw/zinc/18/38/05/179183805.db2.gz	VPAZVTJVMAHSHH-XYXDXOEKSA-N	0	0	262.393	3.042	1	30		CGEFRN
CC(C)(C)[C@H](C#N)C(=O)NCc1ccc(Cl)cc1	ZINC000103180921	185813998	/nfs/dbraw/zinc/81/39/98/185813998.db2.gz	DOGMHCOGENWPTR-GFCCVEGCSA-N	0	0	264.756	3.142	1	30		CGEFRN
O=C1CCC(=O)C1=CC=Cc1ccc(Br)cc1	ZINC000169322432	188658152	/nfs/dbraw/zinc/65/81/52/188658152.db2.gz	AVQODXPELAZIOZ-OWOJBTEDSA-N	0	0	291.144	3.321	1	30		CGEFRN
C[C@H]1CCC/C(=N\NC(=S)NCc2ccccc2)C1	ZINC000005119859	170068117	/nfs/dbraw/zinc/06/81/17/170068117.db2.gz	OINYXDBAKPLGCJ-KNEMVRMJSA-N	0	0	275.421	3.217	3	30		CGEFRN
C=CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1	ZINC000013609491	170569299	/nfs/dbraw/zinc/56/92/99/170569299.db2.gz	MRQDWXSXVZXABB-UHFFFAOYSA-N	0	0	266.300	3.165	1	30		CGEFRN
CC1(C)c2cc(-c3cccc(C#N)c3)ccc2NC1=O	ZINC000013860668	170605392	/nfs/dbraw/zinc/60/53/92/170605392.db2.gz	WZZPSUKZMZKXTQ-UHFFFAOYSA-N	0	0	262.312	3.455	1	30	in-vivo	CGEFRN
C=CCC[C@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)ON21	ZINC000026476719	171486786	/nfs/dbraw/zinc/48/67/86/171486786.db2.gz	VAPCQNOPYNNCIT-DVKDBIPTSA-N	0	0	287.359	3.149	1	30		CGEFRN
CC[C@H](C)CCCCC/C=C\C#C/C=C\OC[C@@H](O)CO	ZINC000034058393	171830372	/nfs/dbraw/zinc/83/03/72/171830372.db2.gz	POILPAKVYRBZLL-NLNXPPKHSA-N	0	0	294.435	3.426	1	30		CGEFRN
COc1ccc(C(=O)/C=C/c2ccccn2)c(OC)c1OC	ZINC000040407326	174254303	/nfs/dbraw/zinc/25/43/03/174254303.db2.gz	KYBSWGGHBRYNLH-VQHVLOKHSA-N	0	0	299.326	3.004	1	30		CGEFRN
CCCCCCCCOC(=O)c1cc(O)cc(O)c1O	ZINC000043888817	175117818	/nfs/dbraw/zinc/11/78/18/175117818.db2.gz	GUQDJSWMJISRAK-UHFFFAOYSA-N	0	0	282.336	3.321	1	30		CGEFRN
C=CCNC(=O)[C@@H]1[C@@H](C)C(=O)O[C@H]1CCCCCCCC	ZINC000043989772	175135165	/nfs/dbraw/zinc/13/51/65/175135165.db2.gz	AZOYYNIXIGGRGM-QLFBSQMISA-N	0	0	295.423	3.217	1	30		CGEFRN
C=CCNC(=O)[C@@H]1[C@H](C)C(=O)O[C@H]1CCCCCCCC	ZINC000043989947	175135414	/nfs/dbraw/zinc/13/54/14/175135414.db2.gz	AZOYYNIXIGGRGM-SOUVJXGZSA-N	0	0	295.423	3.217	1	30		CGEFRN
COc1ccc(-n2cc(-c3ccc(C#N)cc3)c(N)n2)cc1	ZINC000045358264	175362178	/nfs/dbraw/zinc/36/21/78/175362178.db2.gz	RVPDZRDQXBPPGA-UHFFFAOYSA-N	0	0	290.326	3.002	1	30		CGEFRN
CO[C@H]1CCCCCCCCC[C@@H](C)NC(=O)/C=C/C1=O	ZINC000072175853	176333974	/nfs/dbraw/zinc/33/39/74/176333974.db2.gz	WTZGXYGZXSUMKU-JIXSRCLSSA-N	0	0	295.423	3.156	1	30		CGEFRN
COc1cccc2c1C(=O)C(=CC=C(C)C)C(OC)C2=O	ZINC000049110875	524202195	/nfs/dbraw/zinc/20/21/95/524202195.db2.gz	SAUVFHUGFKHXFV-UHFFFAOYSA-N	0	0	286.327	3.331	1	30		CGEFRN
Cc1[nH]nc(Nc2ccc(OC(F)(F)F)cc2)c1C#N	ZINC000013781022	581094379	/nfs/dbraw/zinc/09/43/79/581094379.db2.gz	GKFQMWFYRVRXME-UHFFFAOYSA-N	0	0	282.225	3.232	1	30		CGEFRN
Cc1[nH][nH]c(=O)c1C=NCc1cccc(C(F)(F)F)c1	ZINC000095547885	185008140	/nfs/dbraw/zinc/00/81/40/185008140.db2.gz	KTIPSLZAUBKYDR-REZTVBANSA-N	0	0	283.253	3.062	1	30		CGEFRN
CC(C)CNC(=O)c1ccc(C#Cc2cccc(F)c2)cn1	ZINC000096933554	185132747	/nfs/dbraw/zinc/13/27/47/185132747.db2.gz	YLAFSFQLRMWFKO-UHFFFAOYSA-N	0	0	296.345	3.006	1	30		CGEFRN
CC1(C)CC(=O)C(=CNc2ccc3n[nH]cc3c2)C(=O)C1	ZINC000101966682	185765742	/nfs/dbraw/zinc/76/57/42/185765742.db2.gz	PINPWOPXWIGRAJ-RQZCQDPDSA-N	0	0	283.331	3.466	1	30		CGEFRN
C=C1CC[C@H](OC(C)=O)[C@@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12	ZINC000033833821	290861119	/nfs/dbraw/zinc/86/11/19/290861119.db2.gz	WSJSOWIYCBJVAH-DRRXZNNHSA-N	0	0	280.408	3.318	1	30	biogenic,in-vitro	CGEFRN
Clc1cccc(-c2ccc(/C=N\n3cnnc3)o2)c1	ZINC000000051985	169518326	/nfs/dbraw/zinc/51/83/26/169518326.db2.gz	HHOKVDMSSMHCEJ-IDUWFGFVSA-N	0	0	272.695	3.074	1	30		CGEFRN
Cc1cccc(N=CC2c3ccccc3NC2=O)n1	ZINC000005687825	170129476	/nfs/dbraw/zinc/12/94/76/170129476.db2.gz	CFEBLMAYLMVPOF-CXUHLZMHSA-N	0	0	251.289	3.328	1	30		CGEFRN
CCCCc1cnc(C(=O)/C=C/c2ccc(O)cc2)cn1	ZINC000006380016	170196301	/nfs/dbraw/zinc/19/63/01/170196301.db2.gz	XXQSLHUTLMBHMT-JXMROGBWSA-N	0	0	282.343	3.421	1	30		CGEFRN
Cc1ccc2sn(/N=C/c3ccccc3F)c(=O)c2c1	ZINC000040390890	174252106	/nfs/dbraw/zinc/25/21/06/174252106.db2.gz	LHMNSEZMCROMKL-RQZCQDPDSA-N	0	0	286.331	3.393	1	30		CGEFRN
C=C(C)[C@H]1Cc2c(cc(O)c3c2[nH]c2ccccc2c3=O)O1	ZINC000040423658	174258329	/nfs/dbraw/zinc/25/83/29/174258329.db2.gz	DMJPAFRXITYAAP-CQSZACIVSA-N	0	0	293.322	3.267	1	30		CGEFRN
C=C(C)[C@@H]1Cc2c(cc(O)c3c2[nH]c2ccccc2c3=O)O1	ZINC000040423657	174258342	/nfs/dbraw/zinc/25/83/42/174258342.db2.gz	DMJPAFRXITYAAP-AWEZNQCLSA-N	0	0	293.322	3.267	1	30		CGEFRN
CCOC(=O)c1csc(N=NC2CCC[C@H](C)C2)n1	ZINC000042922563	174917395	/nfs/dbraw/zinc/91/73/95/174917395.db2.gz	WYSNSGVZLXRUES-KOUBLQELSA-N	0	0	281.381	3.298	1	30		CGEFRN
CCOC(/C=C/c1ccccc1)=C1\C(=O)C=C(C)C1=O	ZINC000043544053	175064467	/nfs/dbraw/zinc/06/44/67/175064467.db2.gz	OMIRMDOJADSAQZ-DSIBUQCCSA-N	0	0	268.312	3.089	1	30		CGEFRN
CO[C@@H]1CCCCCCCCC[C@@H](C)NC(=O)/C=C/C1=O	ZINC000072175854	176334382	/nfs/dbraw/zinc/33/43/82/176334382.db2.gz	WTZGXYGZXSUMKU-WSGWYYKGSA-N	0	0	295.423	3.156	1	30		CGEFRN
C=C(COC(C)=O)c1ccc(C)cc1OC(=O)/C(C)=C/C	ZINC000014588599	560222601	/nfs/dbraw/zinc/22/26/01/560222601.db2.gz	YQTJNXJVGGXRFW-WUXMJOGZSA-N	0	0	288.343	3.443	1	30	biogenic,in-vitro	CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@H](C(C)(C)O)C[C@@H]1O	ZINC000015254897	571737649	/nfs/dbraw/zinc/73/76/49/571737649.db2.gz	QZYCUDRAMHSVOE-SKAWWZKSSA-N	0	0	296.407	3.092	1	30	endogenous,in-man	CGEFRN
O=C(CCCCCCc1nc2cc(Cl)ccc2[nH]1)NO	ZINC000096914752	185129283	/nfs/dbraw/zinc/12/92/83/185129283.db2.gz	ITMQMELYTRQGES-UHFFFAOYSA-N	0	0	295.770	3.215	1	30		CGEFRN
C=C1[C@H]2[C@@H](CO)C[C@H]([C@@H]2OC)[C@]1(C)C1CCCCC1	ZINC000085546603	290861116	/nfs/dbraw/zinc/86/11/16/290861116.db2.gz	BUZSFIAFFAVTBJ-ZUOZUFPHSA-N	0	0	264.409	3.402	1	30	biogenic,in-vitro	CGEFRN
CCO/C=N\c1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000104702275	186017418	/nfs/dbraw/zinc/01/74/18/186017418.db2.gz	ZNUISQCKJBTMGA-ZDLGFXPLSA-N	0	0	278.315	3.364	1	30		CGEFRN
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)c(C)c1)C2=O	ZINC000005930980	170156989	/nfs/dbraw/zinc/15/69/89/170156989.db2.gz	CLPCTTQDRUGCQA-UHFFFAOYSA-N	0	0	298.367	3.443	1	30		CGEFRN
O=C1C=C(Nc2ccc(Cl)cc2)C(=O)c2cnccc21	ZINC000026495580	171488198	/nfs/dbraw/zinc/48/81/98/171488198.db2.gz	LJIHLOKTSRCCAK-UHFFFAOYSA-N	0	0	284.702	3.110	1	30		CGEFRN
C=C1C[C@@](COc2ccccc2)(c2ccccc2)OC1=O	ZINC000026674855	171495883	/nfs/dbraw/zinc/49/58/83/171495883.db2.gz	UWEIOMYGRCQNBJ-GOSISDBHSA-N	0	0	280.323	3.464	1	30		CGEFRN
C=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1C(=O)OC	ZINC000043462851	175051976	/nfs/dbraw/zinc/05/19/76/175051976.db2.gz	SBMMJLBYJGMEFJ-QWHCGFSZSA-N	0	0	268.353	3.008	1	30		CGEFRN
CCc1n[nH]c(CC)c1Oc1cc(F)cc(C#N)c1	ZINC000045288565	175354192	/nfs/dbraw/zinc/35/41/92/175354192.db2.gz	XMJDLRPDWKJCIJ-UHFFFAOYSA-N	0	0	259.284	3.338	1	30		CGEFRN
COc1ccc(C2=CC(=O)C(c3ccccc3)=CC2=O)cc1	ZINC000071721244	176252796	/nfs/dbraw/zinc/25/27/96/176252796.db2.gz	MIMWNCPLEQDROT-UHFFFAOYSA-N	0	0	290.318	3.314	1	30		CGEFRN
CCCCCCC[C@@H]1O[C@H]1CC#CC#C[C@@H](O)CC	ZINC000014253965	571704495	/nfs/dbraw/zinc/70/44/95/571704495.db2.gz	WDZQEROINMBCOK-ULQDDVLXSA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
Cc1ccc2[nH]c(=O)c(C=NNc3ccccc3)cc2c1	ZINC000095597200	185015733	/nfs/dbraw/zinc/01/57/33/185015733.db2.gz	FANXPGHSNNRLRV-WOJGMQOQSA-N	0	0	277.327	3.283	1	30		CGEFRN
Cc1ccc(-c2nc3c(C)cccn3c2/C=N/O)cc1	ZINC000096922582	185131341	/nfs/dbraw/zinc/13/13/41/185131341.db2.gz	ZAFVCBHXXAFMRB-LICLKQGHSA-N	0	0	265.316	3.426	1	30		CGEFRN
C#CCc1c(Cl)cc(NC=NOCC#N)cc1Cl	ZINC000103180361	185814275	/nfs/dbraw/zinc/81/42/75/185814275.db2.gz	XZSCQFPKKMWTBR-UHFFFAOYSA-N	0	0	282.130	3.064	1	30		CGEFRN
FC(F)(F)c1ccc(C(F)(F)F)c(NC2=NCCO2)c1	ZINC000103193570	185814502	/nfs/dbraw/zinc/81/45/02/185814502.db2.gz	AQUJESDXUCEODH-UHFFFAOYSA-N	0	0	298.186	3.332	1	30		CGEFRN
O=C1C=CC(=O)[C@@H]2[C@@H]1Cc1ccccc1[C@@H]2c1ccccc1	ZINC000169290718	188655857	/nfs/dbraw/zinc/65/58/57/188655857.db2.gz	QNBAWRLRUSCAMO-UXPWSPDFSA-N	0	0	288.346	3.315	1	30		CGEFRN
CC1(C)O[C@@H](CCC#N)CN1C(=O)OCc1ccccc1	ZINC000005837547	170145682	/nfs/dbraw/zinc/14/56/82/170145682.db2.gz	YVAVBBCAJGIFED-AWEZNQCLSA-N	0	0	288.347	3.064	1	30		CGEFRN
CC[C@@H](C=O)[P@]1(=O)OC(C)(C)CN1C(C)(C)C	ZINC000006002114	170167086	/nfs/dbraw/zinc/16/70/86/170167086.db2.gz	KCPBRZSTCIPDLY-BTDLBPIBSA-N	0	0	261.302	3.066	1	30		CGEFRN
c1ccc(N=C2NC(=Nc3ccccn3)c3ccccc32)nc1	ZINC000012511699	170492007	/nfs/dbraw/zinc/49/20/07/170492007.db2.gz	BSMBZDDPUMOQPJ-UHFFFAOYSA-N	0	0	299.337	3.427	3	30		CGEFRN
COC(=O)[C@]1(C)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@]32C)C1	ZINC000027727969	171530564	/nfs/dbraw/zinc/53/05/64/171530564.db2.gz	JFPRTDXRHXOBRN-HZZDSMARSA-N	0	0	288.387	3.447	1	30		CGEFRN
O=C1C2=C(O[C@H](c3ccccc3)C2)C(=O)c2ccccc21	ZINC000040584421	174345774	/nfs/dbraw/zinc/34/57/74/174345774.db2.gz	ONVBHTYYVYXDIS-HNNXBMFYSA-N	0	0	276.291	3.481	1	30		CGEFRN
COc1ccc(C2=CC(=O)c3c(OC)cccc3C2=O)cc1	ZINC000071329684	176124555	/nfs/dbraw/zinc/12/45/55/176124555.db2.gz	QVAAUHZTXRUXBF-UHFFFAOYSA-N	0	0	294.306	3.166	1	30		CGEFRN
C#CCN(C)Cc1coc(-c2ccccc2Cl)n1	ZINC000072180085	176334536	/nfs/dbraw/zinc/33/45/36/176334536.db2.gz	RVHLOIBIBJLBKS-UHFFFAOYSA-N	0	0	260.724	3.060	1	30		CGEFRN
Cc1c(/C=C/C(=O)c2coc3ccccc23)cnn1C	ZINC000121364155	633499259	/nfs/dbraw/zinc/49/92/59/633499259.db2.gz	LZJIGRFBLUHJOQ-BQYQJAHWSA-N	0	0	266.300	3.371	1	30		CGEFRN
Cc1cc2c(nc(N=NCc3ccccc3)nc2C)o1	ZINC000004596860	169988208	/nfs/dbraw/zinc/98/82/08/169988208.db2.gz	MJENSKAMRBUWOK-CXUHLZMHSA-N	0	0	266.304	3.286	3	30		CGEFRN
C=C[C@@H]1O[C@@H](CCCOC(=O)C(C)(C)C)O[C@@H]1CC	ZINC000005922621	170155895	/nfs/dbraw/zinc/15/58/95/170155895.db2.gz	BZIPUBNPIGTPFF-YNEHKIRRSA-N	0	0	270.369	3.062	1	30		CGEFRN
O=C1c2ccccc2C(=O)C1=CNCc1ccco1	ZINC000006531015	170210911	/nfs/dbraw/zinc/21/09/11/170210911.db2.gz	ZGBDCDFRIWVUIB-CXUHLZMHSA-N	0	0	253.257	3.016	1	30		CGEFRN
N#C[C@H](c1ccc(O)cc1)[C@H](C#N)c1cccc(O)c1	ZINC000027431898	171517096	/nfs/dbraw/zinc/51/70/96/171517096.db2.gz	BADKZHZZWRDDGZ-HZPDHXFCSA-N	0	0	264.284	3.012	1	30		CGEFRN
O=C(N[C@@H](CS)Cc1ccccc1)c1cccs1	ZINC000027716352	171530199	/nfs/dbraw/zinc/53/01/99/171530199.db2.gz	OQAPPOFJCFFEPU-GFCCVEGCSA-N	0	0	277.414	3.019	1	30		CGEFRN
Cc1ccc(/C=C/C(=O)c2ccc(O)c(O)c2O)s1	ZINC000040410107	174254429	/nfs/dbraw/zinc/25/44/29/174254429.db2.gz	XSYDHOQAJRPEKW-GQCTYLIASA-N	0	0	276.313	3.069	1	30		CGEFRN
Cn1c2ccc(O)cc2c2c1[C@@]1(C)CCC(=O)C=C1CC2	ZINC000040564581	174336903	/nfs/dbraw/zinc/33/69/03/174336903.db2.gz	LLDGCJASFCPRFD-SFHVURJKSA-N	0	0	281.355	3.377	1	30		CGEFRN
C=C1C(=O)O[C@@H](C)C[C@@H]1c1ccc(Br)cc1	ZINC000045259409	175337169	/nfs/dbraw/zinc/33/71/69/175337169.db2.gz	KVSWBODEEGGTOJ-UFBFGSQYSA-N	0	0	281.149	3.424	1	30		CGEFRN
O/N=C(/c1ccccc1-c1ccccc1)n1ccnc1	ZINC000072103365	176315775	/nfs/dbraw/zinc/31/57/75/176315775.db2.gz	RMWRRYKSOGQQAX-VLGSPTGOSA-N	0	0	263.300	3.234	1	30		CGEFRN
Cc1ccc(/C=C/C(=N/NC(N)=S)c2ccccc2)cc1	ZINC000072116668	176318702	/nfs/dbraw/zinc/31/87/02/176318702.db2.gz	SHPUVHYBHKPKPR-GANMIEKESA-N	0	0	295.411	3.246	1	30		CGEFRN
COc1ccc(OC/C=C/C#Cc2ccc(O)cc2)cc1	ZINC000034220424	560087128	/nfs/dbraw/zinc/08/71/28/560087128.db2.gz	MYCBDFJVVJREPO-DUXPYHPUSA-N	0	0	280.323	3.388	1	30	biogenic,in-vitro	CGEFRN
O=C(/C=C/[C@H](O)Cc1ccccc1)CCc1ccccc1	ZINC000028861910	560091436	/nfs/dbraw/zinc/09/14/36/560091436.db2.gz	TYZZLIGGENRWEF-KQDNUWKFSA-N	0	0	280.367	3.348	1	30	biogenic,in-vitro	CGEFRN
N#Cc1ccc(C2=NO[C@H]3CCC[C@@H]23)cc1C(F)(F)F	ZINC000095574361	185010450	/nfs/dbraw/zinc/01/04/50/185010450.db2.gz	BRDCBMNKBRNPRG-PWSUYJOCSA-N	0	0	280.249	3.480	1	30		CGEFRN
COc1ccc2c(c1)/C(=N\O)c1c3ccccc3n(C)c1-2	ZINC000095588918	185012729	/nfs/dbraw/zinc/01/27/29/185012729.db2.gz	FHQBOAVOCXEPIB-FBMGVBCBSA-N	0	0	278.311	3.394	1	30		CGEFRN
N#Cc1ccc(N2CC[C@@](O)(c3ccccc3)C2)cc1Cl	ZINC000095592063	185014062	/nfs/dbraw/zinc/01/40/62/185014062.db2.gz	IBMUCEBOZFGDGX-KRWDZBQOSA-N	0	0	298.773	3.310	1	30		CGEFRN
Cc1ccc2[nH]c(=O)c(/C=N/c3ccc(O)cc3)cc2c1	ZINC000095596026	185015368	/nfs/dbraw/zinc/01/53/68/185015368.db2.gz	MULOETXXTOIRTG-VCHYOVAHSA-N	0	0	278.311	3.293	1	30		CGEFRN
C=C(C)[C@@H](O)Cc1c(O)cc(O)cc1CCc1ccccc1	ZINC000014590798	290860579	/nfs/dbraw/zinc/86/05/79/290860579.db2.gz	JKOAXJJKWFKFPZ-SFHVURJKSA-N	0	0	298.382	3.363	1	30	biogenic,in-vitro	CGEFRN
C=CCn1c2cccc3cccc(c32)n(CC=C)c1=O	ZINC000000198694	169571913	/nfs/dbraw/zinc/57/19/13/169571913.db2.gz	DEOZMKVILAFAOI-UHFFFAOYSA-N	0	0	264.328	3.328	3	30		CGEFRN
O=[N+]([O-])c1cc(/C=N/N2CCCCC2)ccc1Cl	ZINC000005164023	170072963	/nfs/dbraw/zinc/07/29/63/170072963.db2.gz	JTFGUHGHHGWLNE-NTEUORMPSA-N	0	0	267.716	3.068	3	30		CGEFRN
O=C1c2ccccc2C(=O)C(NNc2ccccc2)=C1Cl	ZINC000006578434	170215462	/nfs/dbraw/zinc/21/54/62/170215462.db2.gz	QENRMKODCHJLDD-UHFFFAOYSA-N	0	0	298.729	3.133	1	30		CGEFRN
CC(C)C#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(N)cc21	ZINC000014943904	170649228	/nfs/dbraw/zinc/64/92/28/170649228.db2.gz	MCBQSTBDECWUHM-CYBMUJFWSA-N	0	0	298.264	3.248	1	30		CGEFRN
Cc1cc2c(c(C#N)c1C)NC(=O)N[C@H]2c1ccccc1	ZINC000027871062	171535114	/nfs/dbraw/zinc/53/51/14/171535114.db2.gz	KLKCGOMWZCLOHK-HNNXBMFYSA-N	0	0	277.327	3.400	1	30		CGEFRN
CC1(C)CCC2=C(O1)c1ccc(Cl)cc1C(=O)C2=O	ZINC000028097450	171547707	/nfs/dbraw/zinc/54/77/07/171547707.db2.gz	JFEKENRBJBRARS-UHFFFAOYSA-N	0	0	276.719	3.406	1	30		CGEFRN
Cc1cccc(C#CCOc2cccc(Cl)c2)n1	ZINC000038147819	174134224	/nfs/dbraw/zinc/13/42/24/174134224.db2.gz	VLHQYMIJAJOKGH-UHFFFAOYSA-N	0	0	257.720	3.474	1	30		CGEFRN
Cc1ccc(C)c(OCN2Cc3ccccc3[C@@H]2C=O)c1	ZINC000040390863	174252385	/nfs/dbraw/zinc/25/23/85/174252385.db2.gz	YDZMAHZCWKLUKT-KRWDZBQOSA-N	0	0	281.355	3.396	1	30		CGEFRN
CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccccn2)cc1	ZINC000071318006	176121945	/nfs/dbraw/zinc/12/19/45/176121945.db2.gz	KBLBPGMRBVYTTC-QHKWOANTSA-N	0	0	278.355	3.443	1	30		CGEFRN
O=C1C=C2OC=C(c3ccccc3)c3cccc(c32)C1=O	ZINC000072108602	176316946	/nfs/dbraw/zinc/31/69/46/176316946.db2.gz	WJKSVJHVJCCGTC-UHFFFAOYSA-N	0	0	274.275	3.212	1	30		CGEFRN
O=C1C=C2OC=C(c3ccc(F)cc3)c3cccc(c32)C1=O	ZINC000072108688	176317145	/nfs/dbraw/zinc/31/71/45/176317145.db2.gz	XJLWGLBUZWCXLO-UHFFFAOYSA-N	0	0	292.265	3.351	1	30		CGEFRN
C[C@@H](NC(=O)C(=O)/C=C/c1ccccc1)c1ccccc1	ZINC000072172092	176333084	/nfs/dbraw/zinc/33/30/84/176333084.db2.gz	ATBVTIWIZZWMQG-XTZCOPOCSA-N	0	0	279.339	3.146	1	30		CGEFRN
Oc1ccc(C#C/C=C/COc2ccc(O)cc2)cc1	ZINC000034189284	560087436	/nfs/dbraw/zinc/08/74/36/560087436.db2.gz	GXRXAVMCQJHRCM-HNQUOIGGSA-N	0	0	266.296	3.085	1	30	biogenic,in-vitro	CGEFRN
COc1cccc(-c2ccc3c(N)c(C#N)sc3n2)c1	ZINC000095604472	185015690	/nfs/dbraw/zinc/01/56/90/185015690.db2.gz	YVNDPUMWCFHLOJ-UHFFFAOYSA-N	0	0	281.340	3.426	1	30		CGEFRN
COc1ccc(C(=O)/C=C/c2ccc(O)cc2O)cc1	ZINC000116640815	290709508	/nfs/dbraw/zinc/70/95/08/290709508.db2.gz	SSIIMXFVLRNTNY-WEVVVXLNSA-N	0	0	270.284	3.003	1	30	biogenic	CGEFRN
O=C1c2cc([N+](=O)[O-])ccc2N2CCc3ccccc3C=C12	ZINC000005593862	170117277	/nfs/dbraw/zinc/11/72/77/170117277.db2.gz	BQXYBAAHTMPEAF-UHFFFAOYSA-N	0	0	292.294	3.195	1	30		CGEFRN
Cc1c([C@@H](C#N)c2ccccc2)nc(SC(C)C)[nH]c1=O	ZINC000040753939	174396292	/nfs/dbraw/zinc/39/62/92/174396292.db2.gz	GVKRFZCPICHXHG-ZDUSSCGKSA-N	0	0	299.399	3.234	1	30		CGEFRN
C[C@@H]1C/C(=N/O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045253741	175336753	/nfs/dbraw/zinc/33/67/53/175336753.db2.gz	KILRDCUJPOLGKG-XYGCICOMSA-N	0	0	265.316	3.249	1	30		CGEFRN
CCCCNC(=S)N/N=C/C1=CC[C@@H]2C[C@H]1C2(C)C	ZINC000008690676	278709299	/nfs/dbraw/zinc/70/92/99/278709299.db2.gz	RBONDYNPJMCCMG-HSFOFRNISA-N	0	0	279.453	3.229	1	30		CGEFRN
C[C@H]1Oc2ccc(C#N)cc2N(Cc2cccc(F)c2)C1=O	ZINC000061907187	525063158	/nfs/dbraw/zinc/06/31/58/525063158.db2.gz	DZPMVGUWGKTCQC-LLVKDONJSA-N	0	0	296.301	3.011	3	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC[C@@]2(C)O	ZINC000035286104	581098798	/nfs/dbraw/zinc/09/87/98/581098798.db2.gz	JBKICUUTJUTNKV-QGZVFWFLSA-N	0	0	266.344	3.108	1	30		CGEFRN
Oc1ccc(/C=N/c2ccc3[nH]ccc3c2)cc1O	ZINC000095581234	185010882	/nfs/dbraw/zinc/01/08/82/185010882.db2.gz	SZSWCQSFNFVVKO-RQZCQDPDSA-N	0	0	252.273	3.330	1	30		CGEFRN
Cc1cccn2c(/C=N/O)c(-c3ccccc3)nc12	ZINC000096922580	185131457	/nfs/dbraw/zinc/13/14/57/185131457.db2.gz	FQXGLRLIHRZORV-MHWRWJLKSA-N	0	0	251.289	3.118	1	30		CGEFRN
C=C[C@H](O)C#CC#CC[C@@H](O)CCCCCCCC	ZINC000085507979	179085745	/nfs/dbraw/zinc/08/57/45/179085745.db2.gz	WNSUMUNACHNURC-IRXDYDNUSA-N	0	0	262.393	3.042	1	30	endogenous,in-man	CGEFRN
C=C(C)[C@@H](O)COc1ccc2c(c1)nc1occc1c2OC	ZINC000015222418	290860583	/nfs/dbraw/zinc/86/05/83/290860583.db2.gz	LLQDFWJDFRTFGW-HNNXBMFYSA-N	0	0	299.326	3.305	1	30	biogenic,in-vitro	CGEFRN
CC1=C/C(=N\NC(=S)Nc2cccnc2)CC(C)(C)C1	ZINC000004868933	170034185	/nfs/dbraw/zinc/03/41/85/170034185.db2.gz	GQPRFYNCYULXIG-QGOAFFKASA-N	0	0	288.420	3.490	3	30		CGEFRN
CN(C)c1ccc(C=[NH+][N-]c2ccc(F)cc2F)cc1	ZINC000005161885	170072677	/nfs/dbraw/zinc/07/26/77/170072677.db2.gz	VIFQFXZBLMJRCE-VCHYOVAHSA-N	0	0	275.302	3.477	1	30		CGEFRN
C/C(=N\NC(=S)NC1CCCCC1)c1cccs1	ZINC000006317166	170190553	/nfs/dbraw/zinc/19/05/53/170190553.db2.gz	DCJHNCHHNUNCPX-XNTDXEJSSA-N	0	0	281.450	3.269	3	30		CGEFRN
CCCCCCCCC(=O)NCc1ccc(O)c(O)c1O	ZINC000038153669	174134233	/nfs/dbraw/zinc/13/42/33/174134233.db2.gz	IZBIANYMNKOXCB-UHFFFAOYSA-N	0	0	295.379	3.170	1	30		CGEFRN
CC(=O)N[C@@H](CC(=O)c1ccccc1)c1ccc(C#N)cc1	ZINC000038295647	174139031	/nfs/dbraw/zinc/13/90/31/174139031.db2.gz	DSZCRMXOQUPZRB-KRWDZBQOSA-N	0	0	292.338	3.008	1	30		CGEFRN
C=CCN(CC=C)c1[nH]c2ccccc2c1C(=O)OC	ZINC000040412725	174255008	/nfs/dbraw/zinc/25/50/08/174255008.db2.gz	VOAOXYYRHVDNNJ-UHFFFAOYSA-N	0	0	270.332	3.133	1	30	in-vivo	CGEFRN
O=C(O/N=C/c1cc(F)cc(F)c1)c1ccccc1	ZINC000040576600	174341763	/nfs/dbraw/zinc/34/17/63/174341763.db2.gz	YCOUEJGILUQOLO-RQZCQDPDSA-N	0	0	261.227	3.156	1	30		CGEFRN
CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc[nH]2)cc1	ZINC000071296311	176112004	/nfs/dbraw/zinc/11/20/04/176112004.db2.gz	HZHIEJFZQDZPQH-MKICQXMISA-N	0	0	266.344	3.376	1	30		CGEFRN
CC(C)c1nc2c(o1)CN(c1cccc(C#N)c1)CC2	ZINC000064541021	519869094	/nfs/dbraw/zinc/86/90/94/519869094.db2.gz	PWVVBNBGLGLLQH-UHFFFAOYSA-N	0	0	267.332	3.232	1	30		CGEFRN
CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)cc1O)[C@@H](C)O2	ZINC000013340025	560214665	/nfs/dbraw/zinc/21/46/65/560214665.db2.gz	SJZOQGKPKOQBFS-ADLMAVQZSA-N	0	0	296.322	3.370	1	30	biogenic,in-vitro	CGEFRN
CCOc1cccc2nc(C#Cc3cccnc3)ccc21	ZINC000095592364	185014504	/nfs/dbraw/zinc/01/45/04/185014504.db2.gz	KRFRKXIFGSUFHA-UHFFFAOYSA-N	0	0	274.323	3.428	1	30		CGEFRN
COc1nc(C)nc(/N=C/c2ccc(Cl)cc2Cl)n1	ZINC000096932896	185132253	/nfs/dbraw/zinc/13/22/53/185132253.db2.gz	TZTFPBHMOWOJAX-GIDUJCDVSA-N	0	0	297.145	3.246	1	30		CGEFRN
C=C[C@@H](O)C#CC#CC[C@@H](O)CCCCCCCC	ZINC000085831990	179183764	/nfs/dbraw/zinc/18/37/64/179183764.db2.gz	WNSUMUNACHNURC-SJORKVTESA-N	0	0	262.393	3.042	1	30	endogenous,in-man	CGEFRN
CCOc1ccc(CN=Nc2cnc3ccccc3n2)cc1	ZINC000103258012	185822285	/nfs/dbraw/zinc/82/22/85/185822285.db2.gz	VIUNKISSABNHQC-YBFXNURJSA-N	0	0	292.342	3.475	1	30		CGEFRN
Cc1cc(C)c(NC(=O)/N=C2\CCCN2C)c(C)c1	ZINC000169315552	188657076	/nfs/dbraw/zinc/65/70/76/188657076.db2.gz	YQCOPUFUXDAAKF-DTQAZKPQSA-N	0	0	259.353	3.268	1	30		CGEFRN
C[C@@]1(CO)CC[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)C1	ZINC000169372890	188661548	/nfs/dbraw/zinc/66/15/48/188661548.db2.gz	XCQZFNGICWIWML-SJWGOKEGSA-N	0	0	260.377	3.267	1	30		CGEFRN
CCC(CC)CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005541484	170110824	/nfs/dbraw/zinc/11/08/24/170110824.db2.gz	PJQWUVGTXBCLCM-MDWZMJQESA-N	0	0	280.284	3.337	1	30		CGEFRN
Nc1ccc2c(c1)[C@@](C#CC1CC1)(C(F)(F)F)OC(=O)N2	ZINC000005933657	170157799	/nfs/dbraw/zinc/15/77/99/170157799.db2.gz	VDIITAKKODSJCW-ZDUSSCGKSA-N	0	0	296.248	3.002	1	30		CGEFRN
c1ccc(N/N=C2\NN=C(c3ccccc3)CS2)cc1	ZINC000006574921	170214779	/nfs/dbraw/zinc/21/47/79/170214779.db2.gz	ZSLYYOHSHWQZJF-UHFFFAOYSA-N	0	0	282.372	3.110	1	30		CGEFRN
N#Cc1ccccc1CSc1nc2ncccc2o1	ZINC000006915447	170254851	/nfs/dbraw/zinc/25/48/51/170254851.db2.gz	NYUIRDWEJOTHSM-UHFFFAOYSA-N	0	0	267.313	3.387	1	30		CGEFRN
CC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1cccs1	ZINC000008682069	170345015	/nfs/dbraw/zinc/34/50/15/170345015.db2.gz	ZUPGTMJAGOHZKX-AWEZNQCLSA-N	0	0	290.388	3.087	3	30		CGEFRN
CCc1ccccc1NC(=S)N/N=C(\C)c1ccccn1	ZINC000018888816	170750357	/nfs/dbraw/zinc/75/03/57/170750357.db2.gz	WQDZJTDBQAKPAV-XDHOZWIPSA-N	0	0	298.415	3.355	1	30		CGEFRN
N#Cc1cc(Cl)nc(OCc2ccnc(Cl)c2)c1	ZINC000028572459	171564634	/nfs/dbraw/zinc/56/46/34/171564634.db2.gz	MNMWRNWFNYWLKI-UHFFFAOYSA-N	0	0	280.114	3.234	1	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCC1)C(=O)N2	ZINC000029133594	171587626	/nfs/dbraw/zinc/58/76/26/171587626.db2.gz	FYYJYCODYXFNFD-UHFFFAOYSA-N	0	0	291.354	3.328	1	30		CGEFRN
COc1cc2cccnc2c(NCCCC/C=N/O)c1	ZINC000029306381	171592681	/nfs/dbraw/zinc/59/26/81/171592681.db2.gz	ADXNERXEBGCYSX-GIJQJNRQSA-N	0	0	273.336	3.286	1	30		CGEFRN
CC(=O)O[C@H](C)/C=C/[C@H]1C(C)=CC(=O)CC1(C)C	ZINC000038636307	174150786	/nfs/dbraw/zinc/15/07/86/174150786.db2.gz	HTJRTNBBUDUZOP-GULGNGMXSA-N	0	0	250.338	3.056	1	30		CGEFRN
Cc1ccccc1CN=Nc1nccc(C(F)(F)F)n1	ZINC000040380374	174249976	/nfs/dbraw/zinc/24/99/76/174249976.db2.gz	FIYGLTHPLNZRON-QGMBQPNBSA-N	0	0	280.253	3.250	1	30		CGEFRN
C=C1C(=O)O[C@@H](C)C[C@H]1c1ccc(Br)cc1	ZINC000045259415	175337189	/nfs/dbraw/zinc/33/71/89/175337189.db2.gz	KVSWBODEEGGTOJ-QPUJVOFHSA-N	0	0	281.149	3.424	1	30		CGEFRN
C[C@H]1C[C@H](O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045261645	175337304	/nfs/dbraw/zinc/33/73/04/175337304.db2.gz	JQJZUJOSCOJKOM-QFYYESIMSA-N	0	0	252.317	3.104	1	30		CGEFRN
C=C(C)CCOc1c(OC)cc(/C=C/CO)cc1OC	ZINC000072108438	176316972	/nfs/dbraw/zinc/31/69/72/176316972.db2.gz	NQIVAJALBHKPEX-AATRIKPKSA-N	0	0	278.348	3.054	1	30		CGEFRN
Cc1nn(-c2ccc(Cl)cc2Cl)cc1C#N	ZINC000096938391	185133137	/nfs/dbraw/zinc/13/31/37/185133137.db2.gz	SAXMRCKSTGOYJC-UHFFFAOYSA-N	0	0	252.104	3.359	1	30		CGEFRN
C=C(C)[C@@H](O)/C=C/c1ccc(Br)cc1	ZINC000007992248	170312320	/nfs/dbraw/zinc/31/23/20/170312320.db2.gz	IHXQBABOHAYYBG-ZCRIDZFUSA-N	0	0	253.139	3.399	1	30		CGEFRN
COc1cc(C#N)cc(-c2cc3ncccc3cn2)c1	ZINC000028826027	171577048	/nfs/dbraw/zinc/57/70/48/171577048.db2.gz	YBYSMAYSUKEUHM-UHFFFAOYSA-N	0	0	261.284	3.177	1	30	in-vivo	CGEFRN
N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1)C(=O)CCC2	ZINC000028871821	171579137	/nfs/dbraw/zinc/57/91/37/171579137.db2.gz	GJCIKQMRMYQVNZ-UHFFFAOYSA-N	0	0	297.745	3.375	1	30		CGEFRN
O=C1C2=C(O[C@@H](c3ccccc3)C2)C(=O)c2ccccc21	ZINC000040584423	174345818	/nfs/dbraw/zinc/34/58/18/174345818.db2.gz	ONVBHTYYVYXDIS-OAHLLOKOSA-N	0	0	276.291	3.481	1	30		CGEFRN
C#CCN(CC#C)C12C[C@H]3CC(C[C@@H](C1)c1ccccc13)O2	ZINC000045337908	175360878	/nfs/dbraw/zinc/36/08/78/175360878.db2.gz	IPRWMJMWIIKDBT-HLVUACMISA-N	0	0	291.394	3.105	1	30		CGEFRN
N#CC[C@@H](c1c[nH]c2c1nc[nH]c2=O)c1cccc(Cl)c1	ZINC000100738915	581100477	/nfs/dbraw/zinc/10/04/77/581100477.db2.gz	FPUICUCFDVNPGR-LLVKDONJSA-N	0	0	298.733	3.314	1	30		CGEFRN
COC(=O)/C1=C\CC(C)(C)/C=C/C(=O)/C(C)=C\CC1	ZINC000095913660	290863604	/nfs/dbraw/zinc/86/36/04/290863604.db2.gz	OPNKSPPKQUMBSL-USFKWKMFSA-N	0	0	262.349	3.368	1	30	biogenic,in-vitro	CGEFRN
CCCC#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(N)cc21	ZINC000005837191	170145307	/nfs/dbraw/zinc/14/53/07/170145307.db2.gz	NLBHWSLHIILXLM-CYBMUJFWSA-N	0	0	298.264	3.392	1	30		CGEFRN
CC[C@@H](C=O)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C	ZINC000006002117	170167198	/nfs/dbraw/zinc/16/71/98/170167198.db2.gz	KCPBRZSTCIPDLY-DYZYQPBXSA-N	0	0	261.302	3.066	1	30		CGEFRN
O=C1Nc2cccc(F)c2[C@@](C#CC2CC2)(C(F)(F)F)N1	ZINC000006567297	170214171	/nfs/dbraw/zinc/21/41/71/170214171.db2.gz	VPLLJIUFAJVSBV-ZDUSSCGKSA-N	0	0	298.239	3.132	1	30		CGEFRN
O=C1Nc2ccc(F)cc2[C@@](C#CC2CC2)(C(F)(F)F)N1	ZINC000006567494	170214173	/nfs/dbraw/zinc/21/41/73/170214173.db2.gz	LFWUWYZYISTASL-ZDUSSCGKSA-N	0	0	298.239	3.132	1	30		CGEFRN
C[C@@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC(=O)O2	ZINC000027320703	171513019	/nfs/dbraw/zinc/51/30/19/171513019.db2.gz	ZGOLSDWJIZVZJT-BFYDXBDKSA-N	0	0	272.344	3.098	1	30		CGEFRN
c1cc(NC2=NCCO2)cc(OC2CCCCCC2)c1	ZINC000040402289	174253184	/nfs/dbraw/zinc/25/31/84/174253184.db2.gz	ODPPUQLOIJNQEU-UHFFFAOYSA-N	0	0	274.364	3.396	1	30		CGEFRN
COc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1OC	ZINC000040402500	174253564	/nfs/dbraw/zinc/25/35/64/174253564.db2.gz	MPCORTUZMOUOQN-GQCTYLIASA-N	0	0	299.326	3.004	1	30	in-vivo	CGEFRN
CCc1ccc(Oc2ccc(/C(=N/O)NC3CC3)cn2)cc1	ZINC000072180350	176334617	/nfs/dbraw/zinc/33/46/17/176334617.db2.gz	YJRFZQIYTQFSLY-UHFFFAOYSA-N	0	0	297.358	3.324	1	30		CGEFRN
O=C1c2ccccc2C(=O)C1=CNNc1ccccc1Cl	ZINC000049072529	527128382	/nfs/dbraw/zinc/12/83/82/527128382.db2.gz	ATVQXQXZDWLBKR-UHFFFAOYSA-N	0	0	298.729	3.220	1	30		CGEFRN
COc1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1	ZINC000095579322	185011205	/nfs/dbraw/zinc/01/12/05/185011205.db2.gz	MNRALDZSWISVNK-NTUHNPAUSA-N	0	0	296.322	3.232	1	30		CGEFRN
COc1cccc(C#Cc2ccc3ccccc3n2)n1	ZINC000095586532	185012881	/nfs/dbraw/zinc/01/28/81/185012881.db2.gz	HIDOYTZRKJHFDK-UHFFFAOYSA-N	0	0	260.296	3.038	1	30		CGEFRN
O=C1C=C([C@H](O)c2cccc(Cl)c2)C(=O)c2ccccc21	ZINC000095587356	185012980	/nfs/dbraw/zinc/01/29/80/185012980.db2.gz	ZSTJENCYAJKOBW-MRXNPFEDSA-N	0	0	298.725	3.379	1	30		CGEFRN
O=C1c2ccc(O)cc2OC/C1=C\c1cccc(F)c1	ZINC000096917205	185130255	/nfs/dbraw/zinc/13/02/55/185130255.db2.gz	NACUHZIDSDGFRQ-IZZDOVSWSA-N	0	0	270.259	3.190	1	30		CGEFRN
CCCCCCC[C@H](O)/C=C/C#CC#C[C@H](O)CC	ZINC000085832004	179183768	/nfs/dbraw/zinc/18/37/68/179183768.db2.gz	VPAZVTJVMAHSHH-ODQHEUEKSA-N	0	0	262.393	3.042	1	30		CGEFRN
C=C(C)n1c2ccccc2n(C(=O)Cc2ccccc2)c1=O	ZINC000103216683	185816802	/nfs/dbraw/zinc/81/68/02/185816802.db2.gz	SFVJHOJVXOENTO-UHFFFAOYSA-N	0	0	292.338	3.177	1	30		CGEFRN
C=C(C(=O)c1ccc(O)cc1)C(C)C(=O)c1ccc(O)cc1	ZINC000015222315	290860015	/nfs/dbraw/zinc/86/00/15/290860015.db2.gz	MEZXYSSUYJRMBP-QXMHVHEDSA-N	0	0	296.322	3.500	1	30	biogenic,in-vitro	CGEFRN
C=CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3	ZINC000169320397	188657921	/nfs/dbraw/zinc/65/79/21/188657921.db2.gz	BXVRBVRWCCGRRI-QAJINGOLSA-N	0	0	292.375	3.020	1	30		CGEFRN
C=CCN1C(=O)/C(=C/c2ccco2)N=C1SC/C=C/C	ZINC000006004101	170167181	/nfs/dbraw/zinc/16/71/81/170167181.db2.gz	VBPGFSQVLVYBNJ-CMSYKNKYSA-N	0	0	288.372	3.314	1	30		CGEFRN
CCCCNC(=S)N(C)N=Cc1c(F)cccc1F	ZINC000008692050	170345761	/nfs/dbraw/zinc/34/57/61/170345761.db2.gz	HRJOTRRWVWANLF-RQZCQDPDSA-N	0	0	285.363	3.316	3	30		CGEFRN
N#C[C@H](Cc1ccc(O)c(CCF)c1)c1ccc(O)cc1	ZINC000040379144	174250424	/nfs/dbraw/zinc/25/04/24/174250424.db2.gz	RMCKKQOCBFYPLD-HNNXBMFYSA-N	0	0	285.318	3.460	1	30		CGEFRN
Cc1cccc(C=NNc2cc(C)nc3ccc(F)cc32)n1	ZINC000045192722	175326581	/nfs/dbraw/zinc/32/65/81/175326581.db2.gz	LDGGINMSVQJODQ-VXLYETTFSA-N	0	0	294.333	3.254	1	30		CGEFRN
CCCCOc1ccc(CNC(=O)ON=C(C)C)cc1	ZINC000045364917	175362290	/nfs/dbraw/zinc/36/22/90/175362290.db2.gz	VRTSWQPAWLHCJK-UHFFFAOYSA-N	0	0	278.352	3.488	1	30	in-vivo	CGEFRN
COc1ccccc1C(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000072108168	176317180	/nfs/dbraw/zinc/31/71/80/176317180.db2.gz	ONFFVLQFJTYEPI-ZHACJKMWSA-N	0	0	283.283	3.500	1	30		CGEFRN
CN(C)c1cc2oc(=O)ccc2cc1-c1cccc(C#N)c1	ZINC000072127775	176321380	/nfs/dbraw/zinc/32/13/80/176321380.db2.gz	DWIPNMOLLJPBBL-UHFFFAOYSA-N	0	0	290.322	3.398	1	30		CGEFRN
Cc1cccc(Oc2ccc(/C(=N/O)n3ccnc3)cn2)c1	ZINC000072184150	176335076	/nfs/dbraw/zinc/33/50/76/176335076.db2.gz	PIRNHNDGLFHCFZ-MNDPQUGUSA-N	0	0	294.314	3.063	1	30		CGEFRN
C=C1CCC[C@@]2(C)C[C@@]3(OC)OC(=O)C(C)=C3C[C@H]12	ZINC000107428440	275420655	/nfs/dbraw/zinc/42/06/55/275420655.db2.gz	JYNGEEVMOBHTOS-UHOFOFEASA-N	0	0	262.349	3.359	1	30		CGEFRN
COc1cc(O)ccc1C(=O)/C=C/c1ccccc1	ZINC000013483572	560217349	/nfs/dbraw/zinc/21/73/49/560217349.db2.gz	VLEOOBKBMSIDKF-JXMROGBWSA-N	0	0	254.285	3.297	1	30	biogenic,in-vitro	CGEFRN
Cc1ccc(NN=C(C(N)=O)c2ccccc2C#N)cc1	ZINC000095592332	185014162	/nfs/dbraw/zinc/01/41/62/185014162.db2.gz	AKUOOEHXUBGBLP-CVTQAYBASA-N	0	0	278.315	3.177	1	30		CGEFRN
COc1cccc(OC)c1C(=O)/C=C/c1ccc(C#N)cc1	ZINC000084632653	178906439	/nfs/dbraw/zinc/90/64/39/178906439.db2.gz	GJEAVHLNXCDLSQ-ZHACJKMWSA-N	0	0	293.322	3.472	1	30		CGEFRN
O=C1C=C(NCSc2ccccc2)C(=O)c2ccccc21	ZINC000103131078	185809721	/nfs/dbraw/zinc/80/97/21/185809721.db2.gz	LUXWXIOODNHEHY-UHFFFAOYSA-N	0	0	295.363	3.289	1	30		CGEFRN
CC1=C(/C=C/[C@]2(C)CCC(=O)O2)C(C)(C)CCC1=O	ZINC000095099623	290862453	/nfs/dbraw/zinc/86/24/53/290862453.db2.gz	CCYRLEPYXAAIJA-DXWDOBMASA-N	0	0	262.349	3.344	1	30	biogenic,in-vitro	CGEFRN
CN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O	ZINC000169334247	188659242	/nfs/dbraw/zinc/65/92/42/188659242.db2.gz	REIUKFRGCZKGLD-UHFFFAOYSA-N	0	0	268.360	3.369	1	30		CGEFRN
CN(C)/N=C/C=C1\CCC/C(=C/c2cccs2)C1=O	ZINC000005603044	170118664	/nfs/dbraw/zinc/11/86/64/170118664.db2.gz	LITBGXNPIKNKFL-SYDZBCMKSA-N	0	0	274.389	3.358	3	30		CGEFRN
N#CCCN(CC#Cc1ccccc1)OCc1ccccc1	ZINC000007992510	170312703	/nfs/dbraw/zinc/31/27/03/170312703.db2.gz	XPHXVNDGMVDMQN-UHFFFAOYSA-N	0	0	290.366	3.386	1	30		CGEFRN
COC(=O)c1sc(Oc2cccc(C)c2)c(C#N)c1N	ZINC000013556989	170562499	/nfs/dbraw/zinc/56/24/99/170562499.db2.gz	MFAHLQOCWOHUSB-UHFFFAOYSA-N	0	0	288.328	3.089	1	30		CGEFRN
CCC1=C2OC=C(C)c3ccc(C)c(c32)C(=O)C1=O	ZINC000028565067	171563834	/nfs/dbraw/zinc/56/38/34/171563834.db2.gz	NMDKSQBOXFDZOW-UHFFFAOYSA-N	0	0	254.285	3.273	1	30		CGEFRN
Cc1cnnc(C#Cc2ccc(-c3ccccc3)cc2)n1	ZINC000028701685	171570249	/nfs/dbraw/zinc/57/02/49/171570249.db2.gz	OXVAGVMMJCNKRK-UHFFFAOYSA-N	0	0	271.323	3.247	1	30	in-vivo	CGEFRN
Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3C[C@H]3C)cn2)c1	ZINC000072183939	176335032	/nfs/dbraw/zinc/33/50/32/176335032.db2.gz	HEZWNYVHRXIQGX-IEDJFLIBSA-N	0	0	297.358	3.331	1	30		CGEFRN
CC1=C2C=C[C@]34C[C@](C)(CC[C@@H]3[C@@]2(C)CCC1=O)C(=O)O4	ZINC000049109496	520849819	/nfs/dbraw/zinc/84/98/19/520849819.db2.gz	IDZFHPGGTPUPGD-UBDQQSCGSA-N	0	0	286.371	3.344	1	30		CGEFRN
COc1cc(C#C/C=C/COc2ccc(O)cc2)ccc1O	ZINC000036376038	560086714	/nfs/dbraw/zinc/08/67/14/560086714.db2.gz	CFTKDOICDIITEC-DUXPYHPUSA-N	0	0	296.322	3.093	1	30	biogenic,in-vitro	CGEFRN
C=CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000095597129	185015674	/nfs/dbraw/zinc/01/56/74/185015674.db2.gz	YGSNMNVRGDJUHY-UHFFFAOYSA-N	0	0	288.259	3.005	1	30		CGEFRN
N#Cc1sc2[nH]cnc(=O)c2c1-c1ccc(Cl)cc1	ZINC000096929462	185131813	/nfs/dbraw/zinc/13/18/13/185131813.db2.gz	ZACCWEYLIIVQQJ-UHFFFAOYSA-N	0	0	287.731	3.177	1	30		CGEFRN
C=C[C@@H]1Cc2nc(C)nc(N(C)c3ccc(OC)cc3)c2C1	ZINC000096934253	185133093	/nfs/dbraw/zinc/13/30/93/185133093.db2.gz	FWSVVXHADICGCY-ZDUSSCGKSA-N	0	0	295.386	3.462	1	30		CGEFRN
O=C1C=C(N=C2CCCCC2)c2ccccc2C1=O	ZINC000103180848	185813966	/nfs/dbraw/zinc/81/39/66/185813966.db2.gz	QILDRRJOXBGRTF-UHFFFAOYSA-N	0	0	253.301	3.198	1	30		CGEFRN
C=CCCCCC[C@@H]1O[C@@H]1[C@H](O)C#CC#CCCC	ZINC000005819553	290861107	/nfs/dbraw/zinc/86/11/07/290861107.db2.gz	NLFJDDYYSDVHFW-IXDOHACOSA-N	0	0	260.377	3.058	1	30	biogenic,in-vitro	CGEFRN
O=[N+]([O-])c1ccc(N=NC=CCc2ccco2)cc1	ZINC000004576816	169986250	/nfs/dbraw/zinc/98/62/50/169986250.db2.gz	SBGFKMDCSDBRGL-PPORRJRTSA-N	0	0	257.249	3.299	3	30		CGEFRN
CC(=O)O[C@]12c3ccccc3[C@H]1CCCCC/C2=N\O	ZINC000005847331	170146737	/nfs/dbraw/zinc/14/67/37/170146737.db2.gz	QHNXIXKNGVLYPZ-GKJOJCCBSA-N	0	0	273.332	3.337	1	30		CGEFRN
CN=C1N[C@H](c2ccccc2)N(c2ccccc2)S1	ZINC000006228526	170183788	/nfs/dbraw/zinc/18/37/88/170183788.db2.gz	NLGYLTIIYUZXHL-AWEZNQCLSA-N	0	0	269.373	3.429	1	30		CGEFRN
O=c1c2ccccc2sn1/N=C/c1ccccc1F	ZINC000038328526	174139666	/nfs/dbraw/zinc/13/96/66/174139666.db2.gz	IVOMYAGDKSALLS-CXUHLZMHSA-N	0	0	272.304	3.084	1	30		CGEFRN
O=c1c2ccccc2sn1/N=C/c1ccc(F)cc1	ZINC000038921454	174159319	/nfs/dbraw/zinc/15/93/19/174159319.db2.gz	UMZJDJBGRJWXEI-CXUHLZMHSA-N	0	0	272.304	3.084	1	30		CGEFRN
Cc1nc2ccccc2nc1N=NCc1cccc(O)c1	ZINC000039985930	174181524	/nfs/dbraw/zinc/18/15/24/174181524.db2.gz	FEYVFTVJSPEYTO-LICLKQGHSA-N	0	0	278.315	3.090	1	30		CGEFRN
[NH2+]=c1ccn(C/C(=N/[O-])c2ccc(Cl)c(Cl)c2)cc1	ZINC000045186832	175326197	/nfs/dbraw/zinc/32/61/97/175326197.db2.gz	AETYFJVICSRDEE-LGMDPLHJSA-N	0	0	296.157	3.153	1	30		CGEFRN
C=C(C)C(=O)c1ccc(OCc2nc(C)no2)cc1Cl	ZINC000045257877	175336874	/nfs/dbraw/zinc/33/68/74/175336874.db2.gz	RXOLXUVYYMOCSR-UHFFFAOYSA-N	0	0	292.722	3.369	1	30		CGEFRN
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2)c1)NO	ZINC000045261326	175337285	/nfs/dbraw/zinc/33/72/85/175337285.db2.gz	ZIUZRZVTOUSZFL-WGDLNXRISA-N	0	0	293.322	3.101	1	30		CGEFRN
CNc1nc(C)c(C(=O)/C=C/c2ccccc2OC)s1	ZINC000071296099	176112042	/nfs/dbraw/zinc/11/20/42/176112042.db2.gz	DAEJLZRNZXWTRK-CMDGGOBGSA-N	0	0	288.372	3.398	1	30		CGEFRN
C=C(C)[C@H](O)/C=C\c1ccc(Br)cc1	ZINC000073129096	176454051	/nfs/dbraw/zinc/45/40/51/176454051.db2.gz	IHXQBABOHAYYBG-VVEJJEBESA-N	0	0	253.139	3.399	1	30		CGEFRN
C#CCOc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1	ZINC000587564407	799684299	/nfs/dbraw/zinc/68/42/99/799684299.db2.gz	RMNCVMJJLQMHCJ-UHFFFAOYSA-N	0	0	283.718	3.290	1	30		CGEFRN
CCO/N=C1/C=C(C#Cc2cccc(C)n2)CC[C@H]1F	ZINC000095552014	185008759	/nfs/dbraw/zinc/00/87/59/185008759.db2.gz	QAYGNQUIWOFEBU-YGMPWRRSSA-N	0	0	272.323	3.192	1	30		CGEFRN
C=C1C=CC(=O)[C@@H]2[C@H](Cc3ccc(O)c(F)c3)CC[C@H]12	ZINC000095563137	185009274	/nfs/dbraw/zinc/00/92/74/185009274.db2.gz	BBKLQYYMZQHOBN-OGHNNQOOSA-N	0	0	272.319	3.411	1	30		CGEFRN
COc1ccc(C(=O)/C=C/c2ccc(C=O)cc2)cc1	ZINC000084688007	178914971	/nfs/dbraw/zinc/91/49/71/178914971.db2.gz	HXQZRXSTLCVMJN-IZZDOVSWSA-N	0	0	266.296	3.404	1	30		CGEFRN
C=C(C)COc1cccc(C2=C(O)C(=CCC)NC2=O)c1	ZINC000100799741	185725622	/nfs/dbraw/zinc/72/56/22/185725622.db2.gz	MGBICGBXUSHXHM-NSIKDUERSA-N	0	0	285.343	3.334	1	30		CGEFRN
CCOC(=O)C(C=Nc1ccc(C)cc1C)C(=O)OCC	ZINC000101715623	185756037	/nfs/dbraw/zinc/75/60/37/185756037.db2.gz	ISEPAPQHJVVCDS-SUUMBMQUSA-N	0	0	291.347	3.375	1	30		CGEFRN
C=CCN(CC=C)C(=S)N/N=C(/C)c1ccc(F)cc1	ZINC000103204338	185816564	/nfs/dbraw/zinc/81/65/64/185816564.db2.gz	FPGPXGHZWKLMFE-ATVHPVEESA-N	0	0	291.395	3.098	1	30		CGEFRN
CC(C)(C)[C@@H](C#N)C(=O)NCCc1ccc(Cl)cc1	ZINC000103178066	185814263	/nfs/dbraw/zinc/81/42/63/185814263.db2.gz	RPIYFLJFZUXJAJ-ZDUSSCGKSA-N	0	0	278.783	3.185	1	30		CGEFRN
Clc1ncoc1-c1cn(C[C@H]2CO2)c2ccccc12	ZINC000103292204	185826977	/nfs/dbraw/zinc/82/69/77/185826977.db2.gz	ZRRJSJVBRDMPHS-VIFPVBQESA-N	0	0	274.707	3.349	1	30		CGEFRN
COc1cccc2c1C1=CC(=O)CC[C@H]1C(C)(C)O2	ZINC000005742268	170135898	/nfs/dbraw/zinc/13/58/98/170135898.db2.gz	ZYHGDNNDJMJQQZ-GFCCVEGCSA-N	0	0	258.317	3.229	1	30		CGEFRN
CCC#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(N)cc21	ZINC000013474521	170554067	/nfs/dbraw/zinc/55/40/67/170554067.db2.gz	BQUZOZSWZGUOGM-LBPRGKRZSA-N	0	0	284.237	3.002	1	30		CGEFRN
CCOc1ccccc1C(=O)/C=C/c1ccncc1	ZINC000013827282	170601398	/nfs/dbraw/zinc/60/13/98/170601398.db2.gz	VQNBCFIKBYEJNS-BQYQJAHWSA-N	0	0	253.301	3.376	1	30		CGEFRN
Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)o2)cc1	ZINC000040833608	174416353	/nfs/dbraw/zinc/41/63/53/174416353.db2.gz	MVZUYPMOSUQGTG-GFULKKFKSA-N	0	0	297.310	3.003	1	30		CGEFRN
C=CC(=O)C#CC#C/C=C\C(=O)CCCCCCC	ZINC000044388092	175170190	/nfs/dbraw/zinc/17/01/90/175170190.db2.gz	HPXDLSZVGXBKTQ-QINSGFPZSA-N	0	0	256.345	3.234	1	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C[C@]2(C)O	ZINC000045255308	175336658	/nfs/dbraw/zinc/33/66/58/175336658.db2.gz	PBLRRGSQVHWSFP-SFHVURJKSA-N	0	0	280.371	3.453	1	30		CGEFRN
CC(C)COc1ncccc1/C(=N/O)N1[C@H](C)CC[C@@H]1C	ZINC000072101435	176315706	/nfs/dbraw/zinc/31/57/06/176315706.db2.gz	QEKSLLACGSAZBS-LBLRVHHUSA-N	0	0	291.395	3.125	1	30		CGEFRN
CC(C)(C)c1ccc(C=NN2C(=O)CSC2=S)cc1	ZINC000012475582	519012511	/nfs/dbraw/zinc/01/25/11/519012511.db2.gz	CJKIIIOAEXAXSJ-NVNXTCNLSA-N	0	0	292.429	3.178	1	30		CGEFRN
CCCCCC/C=C/[C@@H]1CC2=C(O1)[C@H](O)CCC2=O	ZINC000049783622	519947198	/nfs/dbraw/zinc/94/71/98/519947198.db2.gz	CPAQHEJNJNOQTQ-HBCWJJAPSA-N	0	0	264.365	3.280	1	30		CGEFRN
OC/C=C\C#CC#CC/C=C\CCCCCCCCO	ZINC000049525670	527504824	/nfs/dbraw/zinc/50/48/24/527504824.db2.gz	LETMGPQSRWMBMO-FBOKGXLDSA-N	0	0	274.404	3.211	1	30		CGEFRN
O=C(c1ccc(F)cc1)C1=CC(=O)c2ccccc2C1=O	ZINC000095591941	185014629	/nfs/dbraw/zinc/01/46/29/185014629.db2.gz	GKJKHLDJELGREX-UHFFFAOYSA-N	0	0	280.254	3.014	1	30		CGEFRN
C=CCOc1cc(OCC=C)c2c(C)cc(=O)oc2c1	ZINC000096142666	185106564	/nfs/dbraw/zinc/10/65/64/185106564.db2.gz	SFENFSWNRGDHEO-UHFFFAOYSA-N	0	0	272.300	3.231	1	30		CGEFRN
O=C1C=CC2(C=C1)OC[C@H](c1cccc(-c3ccco3)c1)O2	ZINC000096916844	185130265	/nfs/dbraw/zinc/13/02/65/185130265.db2.gz	PGBQRRZRQPTILG-QGZVFWFLSA-N	0	0	294.306	3.426	1	30		CGEFRN
C=C[C@](C)(O)CC/C=C(\C)COC(=O)CC(C)C	ZINC000015120344	290861323	/nfs/dbraw/zinc/86/13/23/290861323.db2.gz	KJYMNPLQWSOOKV-NRUITVPNSA-N	0	0	254.370	3.239	1	30	biogenic,in-vitro	CGEFRN
CC(=O)O[C@@H]1C/C(C)=C\CCC(=O)/C=C\[C@H]2[C@@H]1C2(C)C	ZINC000013300674	290861759	/nfs/dbraw/zinc/86/17/59/290861759.db2.gz	BESWSXOVDJDSKQ-HUJQHWLQSA-N	0	0	276.376	3.446	1	30	biogenic,in-vitro	CGEFRN
CC(=O)c1ccc(OCC#N)cc1OC(=O)c1ccccc1	ZINC000028378989	171557869	/nfs/dbraw/zinc/55/78/69/171557869.db2.gz	JIUVFDQBESJGCY-UHFFFAOYSA-N	0	0	295.294	3.011	1	30		CGEFRN
CCCCN(C)c1cc(C(F)(F)F)c(C#N)cn1	ZINC000028950634	171581602	/nfs/dbraw/zinc/58/16/02/171581602.db2.gz	DKMAKSQIPLLSSP-UHFFFAOYSA-N	0	0	257.259	3.208	1	30		CGEFRN
Cc1cn2cc(C#N)cc2c(C#Cc2cccc(F)c2)n1	ZINC000029125449	171586793	/nfs/dbraw/zinc/58/67/93/171586793.db2.gz	QAAJIHDSMRMZAV-UHFFFAOYSA-N	0	0	275.286	3.053	1	30		CGEFRN
N#CCc1cc(=O)oc2cc(OCc3ccccc3)ccc12	ZINC000045286975	175354142	/nfs/dbraw/zinc/35/41/42/175354142.db2.gz	QXYWJHCXXQZBTQ-UHFFFAOYSA-N	0	0	291.306	3.438	1	30	in-vivo	CGEFRN
Nc1nc(-c2ccccn2)cn1/N=C/c1ccc(Cl)cc1	ZINC000045388935	175373791	/nfs/dbraw/zinc/37/37/91/175373791.db2.gz	WHDSLTYXQSYRST-DJKKODMXSA-N	0	0	297.749	3.063	1	30		CGEFRN
NC(=S)N/N=C(/C=C/c1ccc(F)cc1)c1ccccc1	ZINC000072120017	176319453	/nfs/dbraw/zinc/31/94/53/176319453.db2.gz	CJOUJBUBPDSJKA-NCOWYRMISA-N	0	0	299.374	3.076	1	30		CGEFRN
CCOC(=O)[C@@H](C)O/N=C(C)/C=C/c1ccc(OC)cc1	ZINC000049125642	521031725	/nfs/dbraw/zinc/03/17/25/521031725.db2.gz	QTINQQCBUGPEJX-YYLDDWJDSA-N	0	0	291.347	3.053	1	30		CGEFRN
N#Cc1cc(F)cc(-c2nc(-c3ccccn3)co2)c1	ZINC000095557165	185009248	/nfs/dbraw/zinc/00/92/48/185009248.db2.gz	PURMTHHDJDASBS-UHFFFAOYSA-N	0	0	265.247	3.414	1	30		CGEFRN
COc1ccc2c(c1)/C(=C\c1cccc(O)c1)C(=O)CC2	ZINC000095576085	185011389	/nfs/dbraw/zinc/01/13/89/185011389.db2.gz	JXQNLIUZAWRHIT-LICLKQGHSA-N	0	0	280.323	3.457	1	30		CGEFRN
C/C=C/C=C/[C@H](O)C(F)(F)C(=O)/C=C/CCCC	ZINC000095581671	185011591	/nfs/dbraw/zinc/01/15/91/185011591.db2.gz	FKGFOFXDSNOJEH-BDBNHRJGSA-N	0	0	258.308	3.430	1	30		CGEFRN
COc1cc(OC)cc(C(=O)/C=C/c2cccc(C#N)c2)c1	ZINC000084603108	178903446	/nfs/dbraw/zinc/90/34/46/178903446.db2.gz	HLJBAXCPQGRIMG-VOTSOKGWSA-N	0	0	293.322	3.472	1	30		CGEFRN
COc1ccc2c(c1)OC/C(=C\c1ccc(F)cc1)C2=O	ZINC000103295229	185827106	/nfs/dbraw/zinc/82/71/06/185827106.db2.gz	YFXNOGJHJIWTNC-XYOKQWHBSA-N	0	0	284.286	3.493	1	30		CGEFRN
CC(NCc1ccncc1)=C1C(=O)c2ccccc2C1=O	ZINC000008581064	170341866	/nfs/dbraw/zinc/34/18/66/170341866.db2.gz	OGNQJGMJRHRBLV-YBFXNURJSA-N	0	0	278.311	3.208	1	30		CGEFRN
CC(=O)C(=NNc1ccccc1)Nc1cccc(C)c1	ZINC000013473600	170553933	/nfs/dbraw/zinc/55/39/33/170553933.db2.gz	VEOLWTKDJQXIEO-UHFFFAOYSA-N	0	0	267.332	3.231	1	30		CGEFRN
Cn1c2cc(O)ccc2c2c1[C@]1(C)CCC(=O)C=C1CC2	ZINC000040564053	174336506	/nfs/dbraw/zinc/33/65/06/174336506.db2.gz	RFBMLKSASPSVGM-GOSISDBHSA-N	0	0	281.355	3.377	1	30		CGEFRN
CCc1cc(/C=N/c2ccc3c(c2)OCCO3)c(O)cc1O	ZINC000072118418	176319144	/nfs/dbraw/zinc/31/91/44/176319144.db2.gz	CKICRPOAFWWYHW-VCHYOVAHSA-N	0	0	299.326	3.182	1	30		CGEFRN
C=C[C@@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCCCC	ZINC000072320240	560078069	/nfs/dbraw/zinc/07/80/69/560078069.db2.gz	GVLDSGIQZAFIAN-ZACQAIPSSA-N	0	0	260.377	3.058	1	30	biogenic,in-man	CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@H](C(C)(C)O)C[C@H]1O	ZINC000015254891	571737403	/nfs/dbraw/zinc/73/74/03/571737403.db2.gz	QZYCUDRAMHSVOE-SXVLCJDNSA-N	0	0	296.407	3.092	1	30	endogenous,in-man	CGEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@H](OC(C)=O)[C@H]12	ZINC000059617648	571771059	/nfs/dbraw/zinc/77/10/59/571771059.db2.gz	ORJVLIMAQARNOU-OTPAYMMQSA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
C=C1C=CC(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)CC[C@H]12	ZINC000095558478	185009532	/nfs/dbraw/zinc/00/95/32/185009532.db2.gz	WJIXZWNXPXLXMO-YSVLISHTSA-N	0	0	254.329	3.272	1	30		CGEFRN
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=C/c1ccc(O)c(O)c1	ZINC000096931818	185132276	/nfs/dbraw/zinc/13/22/76/185132276.db2.gz	YNGFLSBWLRHNBO-ZTGIWPAFSA-N	0	0	270.328	3.282	1	30		CGEFRN
COC(=O)[C@]1(C)CC[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)C1	ZINC000169372808	188661210	/nfs/dbraw/zinc/66/12/10/188661210.db2.gz	JFPRTDXRHXOBRN-HZCDGDGTSA-N	0	0	288.387	3.447	1	30		CGEFRN
O=C1C=CC(=O)c2c(NCC3CC3)ccc(NCC3CC3)c21	ZINC000001856870	169760331	/nfs/dbraw/zinc/76/03/31/169760331.db2.gz	RPDBXYUSYQRSKQ-UHFFFAOYSA-N	0	0	296.370	3.266	1	30		CGEFRN
O=C(C=CNc1ccccc1O)C(Cl)(Cl)Cl	ZINC000005596704	170117862	/nfs/dbraw/zinc/11/78/62/170117862.db2.gz	CDYPCWQTHVEJGN-WAYWQWQTSA-N	0	0	280.538	3.257	1	30		CGEFRN
C[C@H]1CC(=O)C2=CCCC3(SCCCS3)[C@@H]2[C@H]1CO	ZINC000005812848	170142556	/nfs/dbraw/zinc/14/25/56/170142556.db2.gz	VGIPSDFQKHCMNK-JKOKRWQUSA-N	0	0	298.473	3.107	1	30		CGEFRN
NC(=S)NN=Cc1ccc(Oc2ccc(F)cc2)cc1	ZINC000027317358	171512998	/nfs/dbraw/zinc/51/29/98/171512998.db2.gz	NSFMULMLEMMIOY-RQZCQDPDSA-N	0	0	289.335	3.406	1	30		CGEFRN
Cc1ccc(C#Cc2cnc(C(C)(C)C)nc2)cc1	ZINC000040425060	174259181	/nfs/dbraw/zinc/25/91/81/174259181.db2.gz	FSXSHKBIFGAUFM-UHFFFAOYSA-N	0	0	250.345	3.482	1	30		CGEFRN
CCCCCCCC(=O)c1cc(O)c(O)c(O)c1	ZINC000044404292	175171315	/nfs/dbraw/zinc/17/13/15/175171315.db2.gz	XPNDSNQZWXZZAW-UHFFFAOYSA-N	0	0	252.310	3.347	1	30	in-vitro	CGEFRN
CCCCCCc1cn(Cc2ccc(C#N)cc2)nn1	ZINC000072179408	176334794	/nfs/dbraw/zinc/33/47/94/176334794.db2.gz	ZGXYFECDCPLSPM-UHFFFAOYSA-N	0	0	268.364	3.321	1	30		CGEFRN
CCCCN(CC#N)Cc1coc(-c2ccc(OC)cc2)n1	ZINC000072182117	176335199	/nfs/dbraw/zinc/33/51/99/176335199.db2.gz	HQOJAIIXSDRPAR-UHFFFAOYSA-N	0	0	299.374	3.476	1	30		CGEFRN
N#CCSc1ccc(-c2nc3ccccc3[nH]2)cn1	ZINC000004898808	170037892	/nfs/dbraw/zinc/03/78/92/170037892.db2.gz	CRAQLRNEKCFOGA-UHFFFAOYSA-N	0	0	266.329	3.241	3	30		CGEFRN
Nc1ccccc1NC=CC(=O)C(Cl)(Cl)Cl	ZINC000005596703	170117825	/nfs/dbraw/zinc/11/78/25/170117825.db2.gz	UTHZONLZLHHUPR-WAYWQWQTSA-N	0	0	279.554	3.134	1	30		CGEFRN
N#Cc1cc(N)nc(SCc2ccc3ccccc3c2)n1	ZINC000005940398	170159403	/nfs/dbraw/zinc/15/94/03/170159403.db2.gz	RYAYFARBZXVJPF-UHFFFAOYSA-N	0	0	292.367	3.376	1	30		CGEFRN
C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)c(Cl)c1	ZINC000043194501	174983316	/nfs/dbraw/zinc/98/33/16/174983316.db2.gz	IHEXGCPAIRMEIP-LBPRGKRZSA-N	0	0	268.696	3.056	1	30		CGEFRN
C=CC(C)(C)c1cc(O)c(/C=C\C(C)(C)O)cc1O	ZINC000071316813	176122098	/nfs/dbraw/zinc/12/20/98/176122098.db2.gz	LXQUYFOONKATDQ-FPLPWBNLSA-N	0	0	262.349	3.346	1	30		CGEFRN
C=C(C)Cn1ccc2c1ncnc2Oc1ccc(N)cc1	ZINC000095554356	185008174	/nfs/dbraw/zinc/00/81/74/185008174.db2.gz	BLDUMKPPHUDUMO-UHFFFAOYSA-N	0	0	280.331	3.382	1	30		CGEFRN
O=C1c2ccc(O)cc2OC/C1=C\c1ccc(F)cc1	ZINC000096917207	185130390	/nfs/dbraw/zinc/13/03/90/185130390.db2.gz	BCWCHRYXGNUZLX-YRNVUSSQSA-N	0	0	270.259	3.190	1	30		CGEFRN
COc1cc(/N=C/c2ccncc2)ccc1-c1cnco1	ZINC000096935310	185132925	/nfs/dbraw/zinc/13/29/25/185132925.db2.gz	CYSOMSWXTZNASE-DJKKODMXSA-N	0	0	279.299	3.496	1	30		CGEFRN
Cc1ccc(CN=Nc2cnc3ccccc3n2)cc1	ZINC000103257972	185822643	/nfs/dbraw/zinc/82/26/43/185822643.db2.gz	ODVRTCXPEHOMFH-VCHYOVAHSA-N	0	0	262.316	3.384	1	30		CGEFRN
CC1=C2C=C3C(=O)c4ccccc4C(=O)[C@]3(O)C(C)=C2CC1	ZINC000014715626	290862475	/nfs/dbraw/zinc/86/24/75/290862475.db2.gz	CPNACVBJSMUJDD-IBGZPJMESA-N	0	0	292.334	3.164	1	30	biogenic,in-vitro	CGEFRN
O=C1Nc2ccccc2/C1=N/N=C/c1cccc(Cl)c1	ZINC000000368752	169620152	/nfs/dbraw/zinc/62/01/52/169620152.db2.gz	ACCUTTOYAVZLQR-RQZCQDPDSA-N	0	0	283.718	3.115	1	30		CGEFRN
O=CC[C@H]1CCc2ccccc2C12CCC(=O)CC2	ZINC000005811181	170142223	/nfs/dbraw/zinc/14/22/23/170142223.db2.gz	AUNNUNDBVJGLSU-CQSZACIVSA-N	0	0	256.345	3.219	1	30		CGEFRN
C[C@]12CCCC(C)(C)[C@@]13O[C@H]3C(=O)[C@@H]2c1ccoc1	ZINC000006032082	170169925	/nfs/dbraw/zinc/16/99/25/170169925.db2.gz	AZKOQQKZUKXDQR-DDUYRFODSA-N	0	0	260.333	3.300	1	30		CGEFRN
Cc1[nH]nc(Nc2ccccc2C(F)(F)F)c1C#N	ZINC000013781035	170592947	/nfs/dbraw/zinc/59/29/47/170592947.db2.gz	ZXJJKLHVJRWGPN-UHFFFAOYSA-N	0	0	266.226	3.352	1	30		CGEFRN
C=C1C(=O)O[C@H](c2ccc(Br)cc2)[C@H]1C	ZINC000040404493	174253715	/nfs/dbraw/zinc/25/37/15/174253715.db2.gz	WRHLXUQAAKKERL-CPCISQLKSA-N	0	0	267.122	3.239	1	30		CGEFRN
COc1cc(/C=C/C(=O)c2ccc(N)cc2)cc(OC)c1	ZINC000040893028	174428768	/nfs/dbraw/zinc/42/87/68/174428768.db2.gz	OOZFQGHDYKZTBY-FPYGCLRLSA-N	0	0	283.327	3.182	1	30		CGEFRN
COc1ccc2c(c1)nccc2NN=Cc1cccnc1	ZINC000045202279	175327288	/nfs/dbraw/zinc/32/72/88/175327288.db2.gz	SSIYLSLDYOKJLM-YBFXNURJSA-N	0	0	278.315	3.084	1	30		CGEFRN
O=C(/C=C/c1ccc2nonc2c1)c1ccccc1	ZINC000045259195	175337172	/nfs/dbraw/zinc/33/71/72/175337172.db2.gz	JFYXPMOSASMFOH-VQHVLOKHSA-N	0	0	250.257	3.119	1	30		CGEFRN
CC(C)COc1ncccc1/C(=N/O)N1[C@H](C)CC[C@H]1C	ZINC000072101437	176315884	/nfs/dbraw/zinc/31/58/84/176315884.db2.gz	QEKSLLACGSAZBS-WFDFJMSYSA-N	0	0	291.395	3.125	1	30		CGEFRN
C=C1CC/C=C(\C)C(=O)[C@H](OC(C)=O)[C@@H]2[C@@H]1CC2(C)C	ZINC000100071488	185704773	/nfs/dbraw/zinc/70/47/73/185704773.db2.gz	SXWKLEULMBLXJM-PCRFWOPQSA-N	0	0	276.376	3.446	1	30	biogenic,in-vivo	CGEFRN
Cc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1	ZINC000003071939	169852670	/nfs/dbraw/zinc/85/26/70/169852670.db2.gz	KKEYYQRJKXNWEE-MHWRWJLKSA-N	0	0	285.372	3.021	1	30		CGEFRN
CC(=O)O[C@@]12c3ccccc3[C@H]1CCCCC/C2=N\O	ZINC000005847327	170146710	/nfs/dbraw/zinc/14/67/10/170146710.db2.gz	QHNXIXKNGVLYPZ-QOWKHOPGSA-N	0	0	273.332	3.337	1	30		CGEFRN
CC(C)Cc1cnc(C(=O)/C=C/c2ccc(O)cc2)cn1	ZINC000005962869	170163748	/nfs/dbraw/zinc/16/37/48/170163748.db2.gz	YUXBARAKKNGZSH-VMPITWQZSA-N	0	0	282.343	3.277	1	30		CGEFRN
COC(=O)[C@@H](CC[C@H]1C=CCC1)/N=C\c1ccccc1	ZINC000006040564	170171004	/nfs/dbraw/zinc/17/10/04/170171004.db2.gz	MRFMREBRFTXQMX-JMFFAQHDSA-N	0	0	271.360	3.394	1	30		CGEFRN
C/C=C1\C[C@@H](C(=O)OCC)CCCCCCC1=O	ZINC000006403500	170198851	/nfs/dbraw/zinc/19/88/51/170198851.db2.gz	CRJFPHSOLNTUGY-QQFGACLNSA-N	0	0	252.354	3.425	1	30		CGEFRN
O=C1C=C(Nc2ccc(Cl)cc2)C(=O)c2scnc21	ZINC000006535922	170211389	/nfs/dbraw/zinc/21/13/89/170211389.db2.gz	GSLXUSPMZPNUBT-UHFFFAOYSA-N	0	0	290.731	3.172	1	30		CGEFRN
Cc1ccsc1/C=N/n1cc(-c2ccccc2)nc1N	ZINC000007674875	170297290	/nfs/dbraw/zinc/29/72/90/170297290.db2.gz	SFEIJMNHPCOWLM-RQZCQDPDSA-N	0	0	282.372	3.384	1	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)CC2=O	ZINC000034864983	171889353	/nfs/dbraw/zinc/88/93/53/171889353.db2.gz	FONRQGOIDLCXEF-UHFFFAOYSA-N	0	0	264.328	3.428	1	30		CGEFRN
O=C1/C(=C/c2ccccc2)CCCC[C@H]1CN1CCOCC1	ZINC000038242733	174137753	/nfs/dbraw/zinc/13/77/53/174137753.db2.gz	OVLPEZDNVPAPTM-UMADGWCESA-N	0	0	299.414	3.162	1	30		CGEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@H](OC(C)=O)[C@@H]12	ZINC000014453454	574413428	/nfs/dbraw/zinc/41/34/28/574413428.db2.gz	ORJVLIMAQARNOU-SCBHEFLASA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
Cc1ccc(O)c(/C=C2\Oc3ccccc3C2=O)c1	ZINC000095578147	185010855	/nfs/dbraw/zinc/01/08/55/185010855.db2.gz	RRDQBYVHAAPMEX-DHDCSXOGSA-N	0	0	252.269	3.317	1	30		CGEFRN
CC1(C)C[C@@H](c2ccc(C#N)cc2F)c2c[nH]nc21	ZINC000095584407	185012961	/nfs/dbraw/zinc/01/29/61/185012961.db2.gz	DKPBULSMFZCDET-NSHDSACASA-N	0	0	255.296	3.234	1	30		CGEFRN
C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)C[C@H](OC(C)=O)[C@@H]12	ZINC000105158259	186044289	/nfs/dbraw/zinc/04/42/89/186044289.db2.gz	UPNVKIZABMRHNR-ABZLBRGFSA-N	0	0	290.359	3.092	1	30		CGEFRN
N#CCNC(=O)[C@@H]1CCCC[C@H]1SCc1ccccc1	ZINC000028569255	171564437	/nfs/dbraw/zinc/56/44/37/171564437.db2.gz	IBCJXAMENBGMMP-HUUCEWRRSA-N	0	0	288.416	3.118	1	30		CGEFRN
CCCCOc1ccc(C(C)(C)N(O)C(C)=O)cc1	ZINC000029571055	171604539	/nfs/dbraw/zinc/60/45/39/171604539.db2.gz	OCGFDMDJCXVMHD-UHFFFAOYSA-N	0	0	265.353	3.338	1	30		CGEFRN
O=C1ON=C(c2cccs2)/C1=C/c1ccsc1	ZINC000034800385	171868203	/nfs/dbraw/zinc/86/82/03/171868203.db2.gz	ZGYWEOGHVWZHNO-TWGQIWQCSA-N	0	0	261.327	3.154	1	30		CGEFRN
C=C1C(=O)O[C@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000035243888	172077897	/nfs/dbraw/zinc/07/78/97/172077897.db2.gz	WRHLXUQAAKKERL-HQJQHLMTSA-N	0	0	267.122	3.239	1	30		CGEFRN
O=c1[nH]nc(NN=Cc2ccc(Cl)cc2)c2ccccc12	ZINC000038807601	174156175	/nfs/dbraw/zinc/15/61/75/174156175.db2.gz	UCCFIDQIOVTJPG-MFOYZWKCSA-N	0	0	298.733	3.023	1	30		CGEFRN
Cc1ccnc2c1N[C@H](C#N)c1cccnc1N2C1CC1	ZINC000040429962	174259552	/nfs/dbraw/zinc/25/95/52/174259552.db2.gz	JNAKMWVBLKSPDZ-CYBMUJFWSA-N	0	0	277.331	3.076	1	30		CGEFRN
COC(=O)CCCCCCCC#CCCCCO	ZINC000040834762	174417473	/nfs/dbraw/zinc/41/74/73/174417473.db2.gz	VZHKBKIDGNLDHW-UHFFFAOYSA-N	0	0	254.370	3.056	1	30		CGEFRN
C=C1C(=O)O[C@H](C)C[C@H]1c1ccc(Br)cc1	ZINC000045259412	175337246	/nfs/dbraw/zinc/33/72/46/175337246.db2.gz	KVSWBODEEGGTOJ-PRHODGIISA-N	0	0	281.149	3.424	1	30		CGEFRN
CN(C)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)cc1	ZINC000072127819	176321075	/nfs/dbraw/zinc/32/10/75/176321075.db2.gz	ZNMUKBZFPZWIBB-UHFFFAOYSA-N	0	0	290.322	3.398	1	30		CGEFRN
CC(C)N=Nc1ncnc2sc3c(c21)CCCC3	ZINC000049073477	519445973	/nfs/dbraw/zinc/44/59/73/519445973.db2.gz	RGPZZGZZHBXIIY-UHFFFAOYSA-N	0	0	260.366	3.378	1	30		CGEFRN
COc1ccc(/C=C/C(=O)c2cccc(N)c2)cc1OC	ZINC000049072992	523401702	/nfs/dbraw/zinc/40/17/02/523401702.db2.gz	RJUPMLNEBIRPNN-SOFGYWHQSA-N	0	0	283.327	3.182	1	30		CGEFRN
O=C1/C(=C/c2ccccn2)CSC/C1=C\c1ccccn1	ZINC000084728698	178921699	/nfs/dbraw/zinc/92/16/99/178921699.db2.gz	SZUIRPWFHMMLIA-UTLPMFLDSA-N	0	0	294.379	3.260	1	30		CGEFRN
N#CC[C@H](c1c[nH]c2c1nc[nH]c2=O)c1cccc(Cl)c1	ZINC000100738917	185723653	/nfs/dbraw/zinc/72/36/53/185723653.db2.gz	FPUICUCFDVNPGR-NSHDSACASA-N	0	0	298.733	3.314	1	30		CGEFRN
CN(C)/N=C/c1ccc(Sc2ccccc2[N+](=O)[O-])o1	ZINC000003204874	169868293	/nfs/dbraw/zinc/86/82/93/169868293.db2.gz	VTXLGLYUSHZADG-NTEUORMPSA-N	0	0	291.332	3.235	3	30		CGEFRN
CC1(C)CC(N=Nc2ccccc2[N+](=O)[O-])C(C)(C)O1	ZINC000027554690	171521156	/nfs/dbraw/zinc/52/11/56/171521156.db2.gz	WVNKVEYKIQFXAH-FOWTUZBSSA-N	0	0	277.324	3.340	1	30		CGEFRN
CCC[C@H](C)COC1=CC(=O)C(=O)c2ccccc21	ZINC000027657779	171527679	/nfs/dbraw/zinc/52/76/79/171527679.db2.gz	CERLRFKUEHYHOV-NSHDSACASA-N	0	0	258.317	3.246	1	30		CGEFRN
C[C@]12C[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H]1CC[C@@]21CO1	ZINC000029135323	171588090	/nfs/dbraw/zinc/58/80/90/171588090.db2.gz	ZLSLABNOIPDERI-ZBURPKILSA-N	0	0	264.409	3.380	1	30		CGEFRN
Cc1c([C@H](C#N)c2ccccc2)nc(SC(C)C)[nH]c1=O	ZINC000040753942	174395979	/nfs/dbraw/zinc/39/59/79/174395979.db2.gz	GVKRFZCPICHXHG-CYBMUJFWSA-N	0	0	299.399	3.234	1	30		CGEFRN
Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1	ZINC000040977228	174444996	/nfs/dbraw/zinc/44/49/96/174444996.db2.gz	LXDLDKQVICALRI-UHFFFAOYSA-N	0	0	265.272	3.364	1	30		CGEFRN
COc1ccc2nccc(NN=Cc3ccccc3)c2c1	ZINC000045335316	175360638	/nfs/dbraw/zinc/36/06/38/175360638.db2.gz	AGNHPXUHRUUYQH-XDHOZWIPSA-N	0	0	277.327	3.111	1	30		CGEFRN
COc1cccc(C#Cc2nc3ncccc3nc2Cl)c1	ZINC000072179401	176334633	/nfs/dbraw/zinc/33/46/33/176334633.db2.gz	RGVKQNKUFYYKBJ-UHFFFAOYSA-N	0	0	295.729	3.087	1	30		CGEFRN
Cc1ccc(C=NN2C(=S)N=NC2c2ccco2)s1	ZINC000001301046	326794076	/nfs/dbraw/zinc/79/40/76/326794076.db2.gz	CFPHADXBYSDMLD-QPEQYQDCSA-N	0	0	290.373	3.079	1	30		CGEFRN
CCCCCCCOc1nn2c(N)nnc2c2ccccc21	ZINC000064448208	520066746	/nfs/dbraw/zinc/06/67/46/520066746.db2.gz	DQRVJMYSCXHJBK-UHFFFAOYSA-N	0	0	299.378	3.209	1	30		CGEFRN
N#Cc1ccc2[nH]c3c(c2c1)CCC[C@@]3(O)C(F)(F)F	ZINC000064548857	526691219	/nfs/dbraw/zinc/69/12/19/526691219.db2.gz	DZMHVXDYRBLHFR-ZDUSSCGKSA-N	0	0	280.249	3.126	1	30		CGEFRN
CC(=O)/C=C/[C@@H]1[C@@](C)(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]21C	ZINC000100781170	571835026	/nfs/dbraw/zinc/83/50/26/571835026.db2.gz	BQUAFPABUCARCY-XXQRAUKMSA-N	0	0	294.435	3.096	1	30	endogenous,in-man	CGEFRN
CCCCCCCOc1ccc(CC(=O)NO)cc1	ZINC000095599227	185014971	/nfs/dbraw/zinc/01/49/71/185014971.db2.gz	ISBZLROIINRFHE-UHFFFAOYSA-N	0	0	265.353	3.084	1	30		CGEFRN
Cc1nn(-c2cc(Cl)cc(Cl)c2)cc1C#N	ZINC000096938392	185133324	/nfs/dbraw/zinc/13/33/24/185133324.db2.gz	KVJHGVHLBZOJIP-UHFFFAOYSA-N	0	0	252.104	3.359	1	30		CGEFRN
CCn1c2ccccc2nc1/N=C/c1ccc([N+](=O)[O-])o1	ZINC000103277178	185824464	/nfs/dbraw/zinc/82/44/64/185824464.db2.gz	QZIPVHAYECVYQM-OQLLNIDSSA-N	0	0	284.275	3.308	1	30		CGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)cc2)C[C@@H]1C	ZINC000003644586	169905281	/nfs/dbraw/zinc/90/52/81/169905281.db2.gz	XFETUZOSYZRHMX-LKFCYVNXSA-N	0	0	293.750	3.034	1	30		CGEFRN
CC[C@@H](N=C(NC#N)Nc1cccnc1)c1ccccc1	ZINC000004778432	170016433	/nfs/dbraw/zinc/01/64/33/170016433.db2.gz	FOECJWCTYWHHFA-OAHLLOKOSA-N	0	0	279.347	3.071	1	30		CGEFRN
CCC1(CC)C(=O)NC(=O)N=C1Nc1cccc(Cl)c1	ZINC000005175653	170073424	/nfs/dbraw/zinc/07/34/24/170073424.db2.gz	KLJILGKNEHOJKO-UHFFFAOYSA-N	0	0	293.754	3.016	1	30		CGEFRN
CN(Cc1ccccc1)C1=CC(=O)c2ccccc2C1=O	ZINC000005913454	170154843	/nfs/dbraw/zinc/15/48/43/170154843.db2.gz	SAVTXZRHUQYOLN-UHFFFAOYSA-N	0	0	277.323	3.082	1	30		CGEFRN
O=C1Nc2ccccc2[C@@](C#CC2CC2)(C(F)(F)F)O1	ZINC000006583411	170215807	/nfs/dbraw/zinc/21/58/07/170215807.db2.gz	PMAKZVLAJFKTHQ-ZDUSSCGKSA-N	0	0	281.233	3.420	1	30		CGEFRN
N#C[C@@H](c1cccc(O)c1)[C@@H](C#N)c1cccc(O)c1	ZINC000027425109	171517295	/nfs/dbraw/zinc/51/72/95/171517295.db2.gz	UMROKGUTNSZNIQ-HOTGVXAUSA-N	0	0	264.284	3.012	1	30		CGEFRN
Cc1ccc(CN=Nc2nncc3ccccc32)s1	ZINC000031871397	171652114	/nfs/dbraw/zinc/65/21/14/171652114.db2.gz	RWTOMRNSNXDPFA-CXUHLZMHSA-N	0	0	268.345	3.446	1	30		CGEFRN
CCOC(=O)[C@@H]1CCC2(C=CC(=O)C=C2)c2ccccc21	ZINC000071297026	176112050	/nfs/dbraw/zinc/11/20/50/176112050.db2.gz	VTBBDKHLCPLYST-OAHLLOKOSA-N	0	0	282.339	3.060	1	30		CGEFRN
Nc1cccc(/C=C/C(=O)/C=C/c2cccc(N)c2)c1	ZINC000049069002	527512529	/nfs/dbraw/zinc/51/25/29/527512529.db2.gz	DDXHZFTWGPFISH-FIFLTTCUSA-N	0	0	264.328	3.147	1	30		CGEFRN
C=CCc1c(O)cc(O)c2c1oc1ccc(OC)cc1c2=O	ZINC000095485920	560061972	/nfs/dbraw/zinc/06/19/72/560061972.db2.gz	URMXTBOIJSCOGI-UHFFFAOYSA-N	0	0	298.294	3.095	1	30	biogenic,in-vitro	CGEFRN
CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCCC	ZINC000084654210	178910168	/nfs/dbraw/zinc/91/01/68/178910168.db2.gz	DNBBTYWREWNQES-BPIHMUFXSA-N	0	0	264.365	3.447	1	30		CGEFRN
C[C@@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccc(F)cc1	ZINC000103179548	185813823	/nfs/dbraw/zinc/81/38/23/185813823.db2.gz	PEAKUEVPSJCIHH-MFKMUULPSA-N	0	0	262.328	3.189	1	30		CGEFRN
C[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1	ZINC000103179544	185814205	/nfs/dbraw/zinc/81/42/05/185814205.db2.gz	PEAKUEVPSJCIHH-ZWNOBZJWSA-N	0	0	262.328	3.189	1	30		CGEFRN
CO[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1	ZINC000103179352	185814295	/nfs/dbraw/zinc/81/42/95/185814295.db2.gz	OOLUEKBHWUULLI-TZMCWYRMSA-N	0	0	294.782	3.287	1	30		CGEFRN
Cc1ccccc1CON=Cc1n[nH]cc1Br	ZINC000002150856	169777187	/nfs/dbraw/zinc/77/71/87/169777187.db2.gz	MPLACVPYQFZLDY-VIZOYTHASA-N	0	0	294.152	3.031	1	30		CGEFRN
CC[C@H](C=O)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C	ZINC000006002121	170167257	/nfs/dbraw/zinc/16/72/57/170167257.db2.gz	KCPBRZSTCIPDLY-BMLIUANNSA-N	0	0	261.302	3.066	1	30		CGEFRN
C=C(C(=O)c1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc21	ZINC000029319035	171593592	/nfs/dbraw/zinc/59/35/92/171593592.db2.gz	XEWYGWIYNKULLM-UHFFFAOYSA-N	0	0	298.729	3.337	1	30		CGEFRN
Cc1ccc2sn(/N=C/c3ccccc3)c(=O)c2c1	ZINC000036428916	172635794	/nfs/dbraw/zinc/63/57/94/172635794.db2.gz	BXPHLPJBOPLTBT-MHWRWJLKSA-N	0	0	268.341	3.254	1	30		CGEFRN
O=C(O/N=C/c1cc(F)ccc1F)c1ccccc1	ZINC000040584189	174345626	/nfs/dbraw/zinc/34/56/26/174345626.db2.gz	JWHICXPXKMMFSN-RQZCQDPDSA-N	0	0	261.227	3.156	1	30		CGEFRN
CC#C[C@@]1(O)CC[C@@]2(C)c3ccc(O)cc3CC[C@@H]2C1	ZINC000040892964	174428969	/nfs/dbraw/zinc/42/89/69/174428969.db2.gz	UKQSPRJRVOKNNC-ZTFGCOKTSA-N	0	0	270.372	3.151	1	30		CGEFRN
COc1ccc2nccc(NN=Cc3ccccc3F)c2c1	ZINC000045192214	175326698	/nfs/dbraw/zinc/32/66/98/175326698.db2.gz	DCBOQSNDWLXTAJ-RGVLZGJSSA-N	0	0	295.317	3.250	1	30		CGEFRN
C[C@@H]1C[C@@H](O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045261650	175337238	/nfs/dbraw/zinc/33/72/38/175337238.db2.gz	JQJZUJOSCOJKOM-QLJPJBMISA-N	0	0	252.317	3.104	1	30		CGEFRN
CCCOc1ccc(NC(=O)ON=C(C)C)cc1	ZINC000045386733	175373001	/nfs/dbraw/zinc/37/30/01/175373001.db2.gz	DAVIGWYJZIPGFN-UHFFFAOYSA-N	0	0	250.298	3.420	1	30	in-vivo	CGEFRN
COc1ccc(/C=C2\COc3ccccc3C2=O)c(O)c1	ZINC000071316225	176122171	/nfs/dbraw/zinc/12/21/71/176122171.db2.gz	KTMCACCIWJNMOK-XYOKQWHBSA-N	0	0	282.295	3.060	1	30		CGEFRN
CCCCN(CC#N)Cc1coc(-c2cccc(OC)c2)n1	ZINC000072103535	176315924	/nfs/dbraw/zinc/31/59/24/176315924.db2.gz	XJVPJNHGPMDYEX-UHFFFAOYSA-N	0	0	299.374	3.476	1	30		CGEFRN
CC(C)(C)NC(=O)C(=O)/C=C/c1ccc2ccccc2c1	ZINC000072173013	176333719	/nfs/dbraw/zinc/33/37/19/176333719.db2.gz	GWHSQJQTOSHOTJ-PKNBQFBNSA-N	0	0	281.355	3.337	1	30		CGEFRN
O=C1NCCc2cc(C#Cc3ccc(Cl)cc3)ccc21	ZINC000066073912	527072558	/nfs/dbraw/zinc/07/25/58/527072558.db2.gz	IWTCUKCWSWEELG-UHFFFAOYSA-N	0	0	281.742	3.026	1	30		CGEFRN
Cc1ccc(NN=C(C(N)=O)c2ccccc2C#N)cc1	ZINC000095592333	185013831	/nfs/dbraw/zinc/01/38/31/185013831.db2.gz	AKUOOEHXUBGBLP-FZFLATATSA-N	0	0	278.315	3.177	1	30		CGEFRN
COc1ccccc1/C=C1\COc2cc(O)ccc2C1=O	ZINC000096917209	185130284	/nfs/dbraw/zinc/13/02/84/185130284.db2.gz	PZVWHSZTAQGWGD-XYOKQWHBSA-N	0	0	282.295	3.060	1	30		CGEFRN
O=C1c2ccc(O)cc2OC/C1=C\c1ccccc1	ZINC000096917191	185130371	/nfs/dbraw/zinc/13/03/71/185130371.db2.gz	NLFSMHMWZICDBF-XYOKQWHBSA-N	0	0	252.269	3.051	1	30		CGEFRN
CC(=O)/C=C/[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2C[C@H](O)[C@@]1(C)O	ZINC000100781176	185724350	/nfs/dbraw/zinc/72/43/50/185724350.db2.gz	BQUAFPABUCARCY-CDBYHQRJSA-N	0	0	294.435	3.096	1	30	endogenous,in-man	CGEFRN
N#CCSc1nnc(COc2ccc3ccccc3c2)o1	ZINC000004130462	169936528	/nfs/dbraw/zinc/93/65/28/169936528.db2.gz	SMANEWNWCGHZLP-UHFFFAOYSA-N	0	0	297.339	3.417	3	30		CGEFRN
CNC(=S)NN=C(C)c1ccc(C(C)(C)C)cc1	ZINC000006754098	170240844	/nfs/dbraw/zinc/24/08/44/170240844.db2.gz	XZLUIHDURLKKNN-YBEGLDIGSA-N	0	0	263.410	3.213	1	30		CGEFRN
CC(C)C#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(N)cc21	ZINC000013474522	170553927	/nfs/dbraw/zinc/55/39/27/170553927.db2.gz	MCBQSTBDECWUHM-ZDUSSCGKSA-N	0	0	298.264	3.248	1	30		CGEFRN
COC(=O)C1=C(c2ccccc2)c2cccc(C)c2C1=O	ZINC000026741688	171498153	/nfs/dbraw/zinc/49/81/53/171498153.db2.gz	KFNUZMQELPMNFV-UHFFFAOYSA-N	0	0	278.307	3.166	1	30		CGEFRN
C=C(Cn1cncn1)c1ccc(Cl)cc1Cl	ZINC000039043264	174161958	/nfs/dbraw/zinc/16/19/58/174161958.db2.gz	LIGQIKWAURBLAJ-UHFFFAOYSA-N	0	0	254.120	3.298	1	30		CGEFRN
Fc1cccc(C=NNc2ccnc3ccccc32)c1	ZINC000045229222	175334222	/nfs/dbraw/zinc/33/42/22/175334222.db2.gz	YUQLTJWAQQMLCY-YBFXNURJSA-N	0	0	265.291	3.242	1	30		CGEFRN
COc1ccc(/C=C2\Oc3cccc(O)c3C2=O)c(OC)c1	ZINC000072107135	176316283	/nfs/dbraw/zinc/31/62/83/176316283.db2.gz	BNLWGLDKQOUHAG-NVNXTCNLSA-N	0	0	298.294	3.026	1	30		CGEFRN
[N-]=[N+]=Nc1ncnc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000072111228	176317582	/nfs/dbraw/zinc/31/75/82/176317582.db2.gz	ZZKCMBHZUNANOO-DJLDLDEBSA-N	0	0	255.285	3.129	1	30		CGEFRN
O/N=C(\NC1CCCCC1)c1c(F)cccc1F	ZINC000072179968	176334616	/nfs/dbraw/zinc/33/46/16/176334616.db2.gz	OLOOTDNUDYXBTG-UHFFFAOYSA-N	0	0	254.280	3.023	1	30		CGEFRN
CCOc1ccccc1-c1nc(CN(CC)CCC#N)co1	ZINC000072182711	176335367	/nfs/dbraw/zinc/33/53/67/176335367.db2.gz	HGWMQOOSUFWIFW-UHFFFAOYSA-N	0	0	299.374	3.476	1	30		CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@H](C(C)(C)O)CC1=O	ZINC000015254904	571737493	/nfs/dbraw/zinc/73/74/93/571737493.db2.gz	IULUGGNZUILXOI-AOHITCTBSA-N	0	0	294.391	3.300	1	30	endogenous,in-man	CGEFRN
N#Cc1c(F)c(F)c(NCc2ccccc2)c(C#N)c1F	ZINC000096909566	185129056	/nfs/dbraw/zinc/12/90/56/185129056.db2.gz	PDWVYDSWTVLDLA-UHFFFAOYSA-N	0	0	287.244	3.459	1	30		CGEFRN
CCOC(=O)c1cnc2ccccc2c1SCCC#N	ZINC000084670064	178911774	/nfs/dbraw/zinc/91/17/74/178911774.db2.gz	BXULXULLYJUKMW-UHFFFAOYSA-N	0	0	286.356	3.417	1	30		CGEFRN
COc1cccc(C(=O)/C=C/c2ccc(C=O)cc2)c1	ZINC000084688006	178914844	/nfs/dbraw/zinc/91/48/44/178914844.db2.gz	NNYIQYMDIZMWEK-MDZDMXLPSA-N	0	0	266.296	3.404	1	30		CGEFRN
COc1ccc([C@H](C)NC(=O)[C@@H](C#N)C(C)(C)C)cc1	ZINC000103180901	185813948	/nfs/dbraw/zinc/81/39/48/185813948.db2.gz	HYEPFQATZGHHIN-SMDDNHRTSA-N	0	0	274.364	3.058	1	30		CGEFRN
CC1=C2C[C@H]3CC[C@@H](CCCO)[C@]2(CC1=O)C3(C)C	ZINC000085549720	290863002	/nfs/dbraw/zinc/86/30/02/290863002.db2.gz	HDQCGWKCSXGIRN-XNJGSVPQSA-N	0	0	262.393	3.491	1	30	biogenic,in-vitro	CGEFRN
CCOC(=O)c1c(C)c(C=NNc2ccccc2)n(C)c1C	ZINC000004947667	170043904	/nfs/dbraw/zinc/04/39/04/170043904.db2.gz	SLVSXPGULVQAJS-WOJGMQOQSA-N	0	0	299.374	3.265	3	30		CGEFRN
Cc1ccc2c(c1)Oc1ccc(C#N)cc1C(=O)N2C	ZINC000006522948	170209671	/nfs/dbraw/zinc/20/96/71/170209671.db2.gz	PDWANTHUWHWFIR-UHFFFAOYSA-N	0	0	264.284	3.249	1	30		CGEFRN
S=C(N/N=C/c1ccccn1)Nc1ccc(Cl)cc1	ZINC000006591118	170217381	/nfs/dbraw/zinc/21/73/81/170217381.db2.gz	GRYWNXFAJVPYFP-CXUHLZMHSA-N	0	0	290.779	3.056	1	30		CGEFRN
N#Cc1c2ncccc2[nH]c1N1CC[C@H]2CCCC[C@@H]2C1	ZINC000013490329	170555776	/nfs/dbraw/zinc/55/57/76/170555776.db2.gz	DUWJBFMBUZVNMB-CHWSQXEVSA-N	0	0	280.375	3.451	1	30		CGEFRN
COc1cccc(N(N=C2NCCO2)c2ccc(C)cc2)c1	ZINC000028526153	171562276	/nfs/dbraw/zinc/56/22/76/171562276.db2.gz	IOEIAXGHDJMROV-UHFFFAOYSA-N	0	0	297.358	3.033	1	30		CGEFRN
COCOc1cc(C#N)cc(-c2cc3ncccc3cn2)c1	ZINC000028826024	171577176	/nfs/dbraw/zinc/57/71/76/171577176.db2.gz	GDBZTNGBLSQNGX-UHFFFAOYSA-N	0	0	291.310	3.151	1	30		CGEFRN
c1cc(OC2CCCCCC2)ccc1NC1=NCCO1	ZINC000040916415	174433300	/nfs/dbraw/zinc/43/33/00/174433300.db2.gz	WLGYRGUJISXQOZ-UHFFFAOYSA-N	0	0	274.364	3.396	1	30		CGEFRN
COc1ccc(/C(=N/O)Nc2cccc(F)c2)cc1	ZINC000072181800	176335214	/nfs/dbraw/zinc/33/52/14/176335214.db2.gz	YSJGOKAJUUINIQ-UHFFFAOYSA-N	0	0	260.268	3.082	1	30		CGEFRN
C#CCN(Cc1cc(=O)[nH][nH]1)c1cc(Cl)cc(Cl)c1	ZINC000095585362	185012706	/nfs/dbraw/zinc/01/27/06/185012706.db2.gz	XPTQIQYZYHYAES-UHFFFAOYSA-N	0	0	296.157	3.062	1	30		CGEFRN
COc1cccc2nc(C#Cc3cccnc3)ccc21	ZINC000095590975	185014484	/nfs/dbraw/zinc/01/44/84/185014484.db2.gz	DLCTXPGSSFTQPB-UHFFFAOYSA-N	0	0	260.296	3.038	1	30		CGEFRN
C#CCOc1cccc(-c2cc(O)c3c(=O)cccc-3o2)c1	ZINC000095602960	185015317	/nfs/dbraw/zinc/01/53/17/185015317.db2.gz	OCMGAXUTMOJVBQ-UHFFFAOYSA-N	0	0	292.290	3.178	1	30	in-vitro	CGEFRN
O=C1c2ccc(O)cc2OC/C1=C\c1ccccc1F	ZINC000096917203	185130007	/nfs/dbraw/zinc/13/00/07/185130007.db2.gz	GNEQIHCXKXKZSH-YRNVUSSQSA-N	0	0	270.259	3.190	1	30		CGEFRN
C#CC(C)(C)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000103167237	185813335	/nfs/dbraw/zinc/81/33/35/185813335.db2.gz	XWCLZVUVXSRCTE-RISCZKNCSA-N	0	0	288.778	3.316	1	30		CGEFRN
COC(=O)/C1=C\CC(C)(C)/C=C\C(=O)C(C)=CCC1	ZINC000103563317	290864184	/nfs/dbraw/zinc/86/41/84/290864184.db2.gz	OPNKSPPKQUMBSL-IMOUXODCSA-N	0	0	262.349	3.368	1	30	biogenic,in-vitro	CGEFRN
CC(=O)N[C@@H]1CC/C(C)=C\CC(C)(C)/C=C\C(=O)[C@@H]1C	ZINC000169369633	188661564	/nfs/dbraw/zinc/66/15/64/188661564.db2.gz	CKYJUKSJPFBGFM-FWGFYHIASA-N	0	0	277.408	3.409	1	30		CGEFRN
C[C@H]1CC2=C(C[C@@H]1/C=N\NC(N)=S)C(C)(C)CCC2	ZINC000013154793	299737575	/nfs/dbraw/zinc/73/75/75/299737575.db2.gz	PPGJRHGXTKDCPC-JIQZYEHPSA-N	0	0	279.453	3.358	1	30		CGEFRN
C=CCN1c2ccccc2Oc2ncccc2C1=O	ZINC000005852474	170147304	/nfs/dbraw/zinc/14/73/04/170147304.db2.gz	WYRPDDQQCRHCOD-UHFFFAOYSA-N	0	0	252.273	3.020	1	30		CGEFRN
N#CC(c1nc2ccccc2s1)c1cc(Cl)ncn1	ZINC000006584383	170215592	/nfs/dbraw/zinc/21/55/92/170215592.db2.gz	UJUCUFQXQWOTOY-MRVPVSSYSA-N	0	0	286.747	3.395	1	30		CGEFRN
Cc1cccc(Nc2nc(C#N)nc(NC3CCCC3)n2)c1	ZINC000013831517	170602065	/nfs/dbraw/zinc/60/20/65/170602065.db2.gz	USCRJQCEKICQHA-UHFFFAOYSA-N	0	0	294.362	3.150	1	30		CGEFRN
CCC1(CC)OC(=NCCc2ccccc2)NC1=O	ZINC000028824006	171576588	/nfs/dbraw/zinc/57/65/88/171576588.db2.gz	ARZSETSNEBJNMA-UHFFFAOYSA-N	0	0	260.337	3.131	1	30	in-vivo	CGEFRN
CC(=O)N(C1=CC(=O)c2ccccc21)C1CCCC1	ZINC000029063975	171585118	/nfs/dbraw/zinc/58/51/18/171585118.db2.gz	LAHSBYQIVGXWCL-UHFFFAOYSA-N	0	0	255.317	3.015	1	30		CGEFRN
COc1cc(/C=C/C(=O)/C=C/c2ccc(O)cc2)ccc1O	ZINC000038923326	174159834	/nfs/dbraw/zinc/15/98/34/174159834.db2.gz	QVRYUUYYIWAQHV-LUZURFALSA-N	0	0	296.322	3.402	1	30	biogenic,in-vitro	CGEFRN
C=C1C(=O)O[C@@H](C)[C@@H]1c1ccc(Br)cc1	ZINC000045316523	175358526	/nfs/dbraw/zinc/35/85/26/175358526.db2.gz	RTQXINDCVYGLOE-GZMMTYOYSA-N	0	0	267.122	3.034	1	30		CGEFRN
CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)cc1O)[C@H](C)O2	ZINC000013340022	560214640	/nfs/dbraw/zinc/21/46/40/560214640.db2.gz	SJZOQGKPKOQBFS-BBATYDOGSA-N	0	0	296.322	3.370	1	30	biogenic,in-vitro	CGEFRN
CCO/N=C1/C=C(C#Cc2cccc(C)n2)CC[C@@H]1F	ZINC000095552013	185007890	/nfs/dbraw/zinc/00/78/90/185007890.db2.gz	QAYGNQUIWOFEBU-ZMEGLIOTSA-N	0	0	272.323	3.192	1	30		CGEFRN
C=C(C(=O)c1ccc(O)cc1)C(C)C(=O)c1ccc(O)cc1	ZINC000100077415	290860012	/nfs/dbraw/zinc/86/00/12/290860012.db2.gz	MEZXYSSUYJRMBP-VAWYXSNFSA-N	0	0	296.322	3.500	1	30	biogenic,in-vitro	CGEFRN
O=C(NO)c1ccccc1OCc1cccc(Cl)c1	ZINC000169328705	188658909	/nfs/dbraw/zinc/65/89/09/188658909.db2.gz	KHXBATKDFJXYJR-UHFFFAOYSA-N	0	0	277.707	3.038	1	30		CGEFRN
S=C1N=NC(c2ccco2)N1N=CC=Cc1ccccc1	ZINC000015979020	170684345	/nfs/dbraw/zinc/68/43/45/170684345.db2.gz	QNJXJRCFXHNHSH-MMPACVFLSA-N	0	0	296.355	3.374	1	30		CGEFRN
CC1=C/C(=C\c2ccccc2)C(=O)[C@@](C)(O)C12CC2	ZINC000025987573	171469171	/nfs/dbraw/zinc/46/91/71/171469171.db2.gz	FAJJRNXYTWGMML-WSYSLRRZSA-N	0	0	254.329	3.130	1	30		CGEFRN
C/C(=N\N(C)c1nc2ccccc2o1)c1ccccn1	ZINC000035064742	171964609	/nfs/dbraw/zinc/96/46/09/171964609.db2.gz	GSXGBHKOYINSTF-WOJGMQOQSA-N	0	0	266.304	3.083	1	30		CGEFRN
Cc1ccc(C)c(OCN2Cc3ccccc3[C@H]2C=O)c1	ZINC000040390866	174252100	/nfs/dbraw/zinc/25/21/00/174252100.db2.gz	YDZMAHZCWKLUKT-QGZVFWFLSA-N	0	0	281.355	3.396	1	30		CGEFRN
N#Cc1c(N)nc(-c2ccco2)cc1-c1ccccc1	ZINC000040395126	174252644	/nfs/dbraw/zinc/25/26/44/174252644.db2.gz	ABFMBAYHWWNULS-UHFFFAOYSA-N	0	0	261.284	3.462	1	30	in-vivo	CGEFRN
CCCCCCCOC(=O)c1ccc(O)c(O)c1	ZINC000043366269	175027211	/nfs/dbraw/zinc/02/72/11/175027211.db2.gz	SIGKRGHYHGEXRL-UHFFFAOYSA-N	0	0	252.310	3.225	1	30		CGEFRN
CCc1n[nH]c(CC)c1Oc1cc(C#N)cc(C#N)c1	ZINC000045245540	175336384	/nfs/dbraw/zinc/33/63/84/175336384.db2.gz	LTSBRJXQVVZDJZ-UHFFFAOYSA-N	0	0	266.304	3.070	1	30		CGEFRN
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C[C@@]2(C)O	ZINC000045255305	175336797	/nfs/dbraw/zinc/33/67/97/175336797.db2.gz	PBLRRGSQVHWSFP-GOSISDBHSA-N	0	0	280.371	3.453	1	30		CGEFRN
C=CCOc1cc(OC)c2c(c1)n(C)c1ccccc1c2=O	ZINC000045288297	175354118	/nfs/dbraw/zinc/35/41/18/175354118.db2.gz	HZIVJQLQUJLETA-UHFFFAOYSA-N	0	0	295.338	3.265	1	30		CGEFRN
CCOC(=O)[C@H]1CCC2(C=CC(=O)C=C2)c2ccccc21	ZINC000071297027	176112015	/nfs/dbraw/zinc/11/20/15/176112015.db2.gz	VTBBDKHLCPLYST-HNNXBMFYSA-N	0	0	282.339	3.060	1	30		CGEFRN
C=C1CC/C=C(/C)C(=O)[C@H](OC(C)=O)[C@H]2[C@@H]1CC2(C)C	ZINC000095099045	560062833	/nfs/dbraw/zinc/06/28/33/560062833.db2.gz	SXWKLEULMBLXJM-NSMQOXOPSA-N	0	0	276.376	3.446	1	30	biogenic,in-vitro	CGEFRN
CCCC[C@@H](O)/C=C/C(=O)CCc1ccc(O)c(OC)c1	ZINC000014708439	560100235	/nfs/dbraw/zinc/10/02/35/560100235.db2.gz	SEWFXECKZBLANJ-ATWMFIQVSA-N	0	0	292.375	3.010	1	30	endogenous,in-man	CGEFRN
CCCCCCCCCn1cc2c(n1)ncnc2N	ZINC000034633670	581091940	/nfs/dbraw/zinc/09/19/40/581091940.db2.gz	JSEZJCXBVBSVHE-UHFFFAOYSA-N	0	0	261.373	3.159	1	30		CGEFRN
COc1ccccc1C(=O)/C=C/c1cccc(C#N)c1	ZINC000084602388	178902454	/nfs/dbraw/zinc/90/24/54/178902454.db2.gz	MDQIANFIPJOBRL-MDZDMXLPSA-N	0	0	263.296	3.463	1	30		CGEFRN
C=C[C@@H](O)C#CC#CC[C@H](O)CCCCCCCC	ZINC000085831992	179184077	/nfs/dbraw/zinc/18/40/77/179184077.db2.gz	WNSUMUNACHNURC-IAGOWNOFSA-N	0	0	262.393	3.042	1	30	endogenous,in-man	CGEFRN
C=CCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000103197896	185816038	/nfs/dbraw/zinc/81/60/38/185816038.db2.gz	OAFRETJEXRDORT-CFMSYZGJSA-N	0	0	299.346	3.389	1	30		CGEFRN
C=C[C@H](O)C#CC#CCC[C@H](O)CCCCCCC	ZINC000070451015	290861318	/nfs/dbraw/zinc/86/13/18/290861318.db2.gz	IDVAIKQEWDUHIJ-DLBZAZTESA-N	0	0	262.393	3.042	1	30	biogenic,in-vitro	CGEFRN
CC(C)NC(=O)[C@@H]1CCCN(c2nc3ccccc3o2)C1	ZINC000000218650	541847757	/nfs/dbraw/zinc/84/77/57/541847757.db2.gz	BZEXYTYAFACRKM-GFCCVEGCSA-N	0	0	287.363	3.409	1	30		CGEFRN
Cc1cccc(Oc2sc(C#N)c(N)c2C#N)c1	ZINC000013557000	170562423	/nfs/dbraw/zinc/56/24/23/170562423.db2.gz	ZHYNTWZUTQXWKH-UHFFFAOYSA-N	0	0	255.302	3.174	1	30		CGEFRN
CC1(C)C=C(Cn2ccccc2=O)c2cc(C#N)ccc21	ZINC000013820475	170598368	/nfs/dbraw/zinc/59/83/68/170598368.db2.gz	ZOSBFEPDNBUZFA-UHFFFAOYSA-N	0	0	276.339	3.095	1	30		CGEFRN
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(N(C)C)cc1)O2	ZINC000039959516	174179837	/nfs/dbraw/zinc/17/98/37/174179837.db2.gz	DKLGGUAHCCVYNV-YVLHZVERSA-N	0	0	295.338	3.377	1	30		CGEFRN
Fc1ccc(C=NNc2ccnc3ccccc32)cc1	ZINC000045324198	175359847	/nfs/dbraw/zinc/35/98/47/175359847.db2.gz	HGWXYWKZPGGNOT-YBFXNURJSA-N	0	0	265.291	3.242	1	30		CGEFRN
COc1ccc(C2=CC(=O)C=C(c3ccccc3)C2=O)cc1	ZINC000071330981	176124811	/nfs/dbraw/zinc/12/48/11/176124811.db2.gz	YBXYRCPLMQWARC-UHFFFAOYSA-N	0	0	290.318	3.314	1	30		CGEFRN
CC(C)COc1ncccc1/C(=N/O)N1[C@@H](C)CC[C@@H]1C	ZINC000072101436	176315903	/nfs/dbraw/zinc/31/59/03/176315903.db2.gz	QEKSLLACGSAZBS-WWTZIWLLSA-N	0	0	291.395	3.125	1	30		CGEFRN
N#Cc1sc(N)c(C#N)c1-c1ccc(F)cc1F	ZINC000072117992	176319007	/nfs/dbraw/zinc/31/90/07/176319007.db2.gz	NHTWLTIANGTIQC-UHFFFAOYSA-N	0	0	261.256	3.019	1	30		CGEFRN
CCO[P@](=O)(NC(C)C)Oc1ccc(C)cc1C#N	ZINC000072139712	176322549	/nfs/dbraw/zinc/32/25/49/176322549.db2.gz	XPIVHHVXCWIFPW-LJQANCHMSA-N	0	0	282.280	3.388	1	30		CGEFRN
CC(=O)C=Cc1c(=O)[nH]cnc1Oc1ccccc1Cl	ZINC000072177426	176334290	/nfs/dbraw/zinc/33/42/90/176334290.db2.gz	LVPPUFDKTZTJAE-VOTSOKGWSA-N	0	0	290.706	3.230	1	30		CGEFRN
CCC(C)(C)N/C(=N\O)c1cccnc1OCC(C)(C)C	ZINC000072182204	176335330	/nfs/dbraw/zinc/33/53/30/176335330.db2.gz	JXPIHIRUNILZAR-UHFFFAOYSA-N	0	0	293.411	3.421	1	30		CGEFRN
CCCCCCCCC/C=C1\C(=O)O[C@@](C)(OC)[C@H]1O	ZINC000049881440	560083317	/nfs/dbraw/zinc/08/33/17/560083317.db2.gz	HYRMWBVOZFMSIF-KJTJGNOWSA-N	0	0	284.396	3.334	1	30	biogenic,in-vitro	CGEFRN
C=C[C@@]1(C)C[C@@H](O)[C@](OC(C)=O)(C(C)C)C[C@@H]1C(=C)C	ZINC000032296167	560089286	/nfs/dbraw/zinc/08/92/86/560089286.db2.gz	MAEYHNLIMUMZET-WCXIOVBPSA-N	0	0	280.408	3.484	1	30	biogenic,in-vitro	CGEFRN
N#Cc1ccc(C2=NO[C@@H]3CCC[C@@H]23)c(C(F)(F)F)c1	ZINC000095575512	185011251	/nfs/dbraw/zinc/01/12/51/185011251.db2.gz	UFDAVUOYTGQPPZ-ZYHUDNBSSA-N	0	0	280.249	3.480	1	30		CGEFRN
N#Cc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1	ZINC000095583532	185011811	/nfs/dbraw/zinc/01/18/11/185011811.db2.gz	PXLRIDIOCCNJAD-MRXNPFEDSA-N	0	0	262.312	3.294	1	30		CGEFRN
O=C1C=C([C@@H](O)c2cccc(Cl)c2)C(=O)c2ccccc21	ZINC000095587357	185012736	/nfs/dbraw/zinc/01/27/36/185012736.db2.gz	ZSTJENCYAJKOBW-INIZCTEOSA-N	0	0	298.725	3.379	1	30		CGEFRN
COc1cc(N)ccc1C(=O)/C=C/c1ccc(C)o1	ZINC000096914977	185129118	/nfs/dbraw/zinc/12/91/18/185129118.db2.gz	VPMGFALGGCHPPM-SOFGYWHQSA-N	0	0	257.289	3.075	1	30		CGEFRN
N#Cc1ccc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)c2ccccc12	ZINC000103238128	185819283	/nfs/dbraw/zinc/81/92/83/185819283.db2.gz	ATKWLNSCJYLXPF-FICVDOATSA-N	0	0	278.355	3.204	1	30	in-vivo	CGEFRN
COc1ccc([C@@H]2CC[C@@](Cl)(OC)C[C@@H]2C=O)cc1	ZINC000005824253	170144436	/nfs/dbraw/zinc/14/44/36/170144436.db2.gz	KPMOARVPBQKECG-VHDGCEQUSA-N	0	0	282.767	3.359	1	30		CGEFRN
N#Cc1c(N)cc2c3ccccc3oc3c(C#N)c(N)nc1c23	ZINC000006576364	170214673	/nfs/dbraw/zinc/21/46/73/170214673.db2.gz	SRUHUHYZCFXDKR-UHFFFAOYSA-N	0	0	299.293	3.042	1	30		CGEFRN
C#CC(=O)[C@@]1(C)CC[C@@H]2c3ccc(O)cc3CC[C@H]2C1	ZINC000026388650	171481305	/nfs/dbraw/zinc/48/13/05/171481305.db2.gz	HYTVYLVVJDEURY-OWQGQXMQSA-N	0	0	268.356	3.431	1	30		CGEFRN
Cc1cc(O)cc(C)c1/C=C1\C(=O)ON=C1c1cccs1	ZINC000034800386	171867995	/nfs/dbraw/zinc/86/79/95/171867995.db2.gz	AYPJLDOMFRUAFA-JYRVWZFOSA-N	0	0	299.351	3.415	1	30		CGEFRN
O=C1ON=C(c2cccs2)/C1=C/c1ccccc1	ZINC000038153728	174134284	/nfs/dbraw/zinc/13/42/84/174134284.db2.gz	YNLFPVJLZNNLBR-LUAWRHEFSA-N	0	0	255.298	3.093	1	30		CGEFRN
N#C[C@@H](Cc1ccc(O)c(CCF)c1)c1ccc(O)cc1	ZINC000040379145	174250025	/nfs/dbraw/zinc/25/00/25/174250025.db2.gz	RMCKKQOCBFYPLD-OAHLLOKOSA-N	0	0	285.318	3.460	1	30		CGEFRN
N#Cc1ccc([C@H](c2ccc3cc[nH]c3c2)n2cncn2)cc1	ZINC000040881109	174427676	/nfs/dbraw/zinc/42/76/76/174427676.db2.gz	MKOSMEBPRDYEEZ-GOSISDBHSA-N	0	0	299.337	3.269	1	30		CGEFRN
Cc1cc(Oc2ccc(/C(N)=N/O)cn2)cc(C(C)C)c1	ZINC000072184067	176335435	/nfs/dbraw/zinc/33/54/35/176335435.db2.gz	RYLGBYMFVICULG-UHFFFAOYSA-N	0	0	285.347	3.400	1	30		CGEFRN
CN=C(C)Nc1nc2ccc(OC(F)(F)F)cc2s1	ZINC000049072377	523670402	/nfs/dbraw/zinc/67/04/02/523670402.db2.gz	XTIBSWFWFFRJMV-UHFFFAOYSA-N	0	0	289.282	3.464	1	30		CGEFRN
Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)C1=CC2=O	ZINC000013335299	560214623	/nfs/dbraw/zinc/21/46/23/560214623.db2.gz	XKTPGZPMUGPQQP-FUHWJXTLSA-N	0	0	286.371	3.262	1	30	biogenic,in-vitro	CGEFRN
O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3ccoc3)cc1)O2	ZINC000096916743	185130394	/nfs/dbraw/zinc/13/03/94/185130394.db2.gz	JHYTZIZJQZDCDJ-KRWDZBQOSA-N	0	0	294.306	3.426	1	30		CGEFRN
C=C(C)n1c2ccccc2n(C(=O)C(CC)CC)c1=O	ZINC000103204878	185816552	/nfs/dbraw/zinc/81/65/52/185816552.db2.gz	BLEINNYPESKTRW-UHFFFAOYSA-N	0	0	272.348	3.370	1	30		CGEFRN
C#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C	ZINC000103258462	185822871	/nfs/dbraw/zinc/82/28/71/185822871.db2.gz	QBYFCKMSJXQDHB-UHFFFAOYSA-N	0	0	277.302	3.270	1	30		CGEFRN
Fc1ccc(C=NNc2nc3ccccc3[nH]2)cc1	ZINC000031904394	282972779	/nfs/dbraw/zinc/97/27/79/282972779.db2.gz	ZUWCHHKKYZDEMK-SXGWCWSVSA-N	0	0	254.268	3.148	1	30		CGEFRN
C[C@@]12CN(C(=O)c3ccccc3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C	ZINC000000352820	368345665	/nfs/dbraw/zinc/34/56/65/368345665.db2.gz	YHAUHMFUJLMLCC-XOYOTBSWSA-N	0	0	280.371	3.231	1	30		CGEFRN
CC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3o2)C1	ZINC000000218649	541847644	/nfs/dbraw/zinc/84/76/44/541847644.db2.gz	BZEXYTYAFACRKM-LBPRGKRZSA-N	0	0	287.363	3.409	1	30		CGEFRN
Cc1ccc2c3c1C(=O)C(=O)C(C)=C3OC=C2C(F)(F)F	ZINC000028362200	184536829	/nfs/dbraw/zinc/53/68/29/184536829.db2.gz	PLTVXPUKFFFNRQ-UHFFFAOYSA-N	0	0	294.228	3.425	1	30		CGEFRN
C=C1CC/C=C(/C)C(=O)[C@H](OC(C)=O)[C@@H]2[C@@H]1CC2(C)C	ZINC000004098242	169931377	/nfs/dbraw/zinc/93/13/77/169931377.db2.gz	SXWKLEULMBLXJM-WAEUVNJBSA-N	0	0	276.376	3.446	1	30		CGEFRN
C[C@@H]1CCC/C(=N\NC(=S)NCc2ccccc2)C1	ZINC000005119858	170068052	/nfs/dbraw/zinc/06/80/52/170068052.db2.gz	OINYXDBAKPLGCJ-YVYFARNLSA-N	0	0	275.421	3.217	3	30		CGEFRN
CNC(=S)[C@@]1(c2cc(C)ccn2)CCCS1	ZINC000026736539	171498218	/nfs/dbraw/zinc/49/82/18/171498218.db2.gz	SLBHDSBIKHBWPR-LBPRGKRZSA-N	0	0	252.408	3.070	1	30		CGEFRN
C[C@@]12CC[C@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC(=O)O2	ZINC000027318067	171513300	/nfs/dbraw/zinc/51/33/00/171513300.db2.gz	FQQHVSFAMZVCCT-JLHDYFKBSA-N	0	0	274.360	3.034	1	30		CGEFRN
CCCCCCCC[S@](=O)CC(=O)C(F)(F)F	ZINC000034803784	171868898	/nfs/dbraw/zinc/86/88/98/171868898.db2.gz	WVDSELHSQAACKS-QGZVFWFLSA-N	0	0	272.332	3.227	1	30	in-vivo	CGEFRN
CC(=O)N[C@H](CC(=O)c1ccccc1)c1ccc(C#N)cc1	ZINC000038295648	174138699	/nfs/dbraw/zinc/13/86/99/174138699.db2.gz	DSZCRMXOQUPZRB-QGZVFWFLSA-N	0	0	292.338	3.008	1	30		CGEFRN
O=C1C=C2OC=C(Cc3ccccc3)c3cccc(c32)C1=O	ZINC000072108209	176316927	/nfs/dbraw/zinc/31/69/27/176316927.db2.gz	CQCFDQZPRMILRT-UHFFFAOYSA-N	0	0	288.302	3.407	1	30		CGEFRN
CC(=O)Nc1cncc(-c2cccc(C(=O)NC3CC3)c2)n1	ZINC000061925785	518478158	/nfs/dbraw/zinc/47/81/58/518478158.db2.gz	VYZFDRPDCBJINT-UHFFFAOYSA-N	0	0	296.330	3.219	3	30		CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@@H](C(C)(C)O)C[C@H]1O	ZINC000015254888	571737582	/nfs/dbraw/zinc/73/75/82/571737582.db2.gz	QZYCUDRAMHSVOE-LUYYIBBOSA-N	0	0	296.407	3.092	1	30	endogenous,in-man	CGEFRN
O=C1OC(c2ccco2)N=C1C=Nc1ccccc1	ZINC000095545625	185008440	/nfs/dbraw/zinc/00/84/40/185008440.db2.gz	KQXADGBCQLGYOI-OQLLNIDSSA-N	0	0	254.245	3.391	1	30		CGEFRN
FC(F)(F)c1ccnc(C#Cc2ccc3ccccc3n2)n1	ZINC000095587624	185011903	/nfs/dbraw/zinc/01/19/03/185011903.db2.gz	OJNAVCGQKWQJFK-UHFFFAOYSA-N	0	0	299.255	3.443	1	30		CGEFRN
O=C(CCc1ccccc1)C1=CC(=O)c2ccccc2C1=O	ZINC000095586442	185013064	/nfs/dbraw/zinc/01/30/64/185013064.db2.gz	NVJAUVYOUSEPEM-UHFFFAOYSA-N	0	0	290.318	3.194	1	30		CGEFRN
CCCCNC1=CC(=O)C(NCCCC)=CC1=O	ZINC000102892657	185796597	/nfs/dbraw/zinc/79/65/97/185796597.db2.gz	XEWQEFLPRCJWIE-UKVBVZPVSA-N	0	0	250.342	3.366	1	30		CGEFRN
Cc1nc2c(o1)C(=O)c1ccccc1/C2=N/c1ccccn1	ZINC000102957380	185801100	/nfs/dbraw/zinc/80/11/00/185801100.db2.gz	STSWKZPCZLWPBD-ZHZULCJRSA-N	0	0	289.294	3.092	1	30		CGEFRN
COC(=O)[C@@]1(C)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)C1	ZINC000169372805	188661356	/nfs/dbraw/zinc/66/13/56/188661356.db2.gz	JFPRTDXRHXOBRN-FXBSTXGRSA-N	0	0	288.387	3.447	1	30		CGEFRN
C=C(C)[C@H](O)/C=C/c1ccc(Br)cc1	ZINC000007992247	170312267	/nfs/dbraw/zinc/31/22/67/170312267.db2.gz	IHXQBABOHAYYBG-FZKGZDJFSA-N	0	0	253.139	3.399	1	30		CGEFRN
CC(C)(C)N=C(Nc1nccs1)Nc1ccccn1	ZINC000026166086	171474453	/nfs/dbraw/zinc/47/44/53/171474453.db2.gz	KRXMBGHVQDTDOF-UHFFFAOYSA-N	0	0	275.381	3.026	1	30		CGEFRN
O=C1/C(=C/c2ccccc2)CCCC[C@@H]1CN1CCOCC1	ZINC000038242732	174137640	/nfs/dbraw/zinc/13/76/40/174137640.db2.gz	OVLPEZDNVPAPTM-UWXVCKHVSA-N	0	0	299.414	3.162	1	30		CGEFRN
Cc1ccc(CN=Nc2nccc(C(F)(F)F)n2)cc1	ZINC000040846769	174419231	/nfs/dbraw/zinc/41/92/31/174419231.db2.gz	NNXUUXCWFIMVMD-QGMBQPNBSA-N	0	0	280.253	3.250	1	30		CGEFRN
COc1ccc2nccc(NN=Cc3cccc(F)c3)c2c1	ZINC000045209940	175328806	/nfs/dbraw/zinc/32/88/06/175328806.db2.gz	QOWWJODALVSKOM-RGVLZGJSSA-N	0	0	295.317	3.250	1	30		CGEFRN
C=C1C(=O)O[C@H](C)C[C@@H]1c1ccc(Br)cc1	ZINC000045259407	175337199	/nfs/dbraw/zinc/33/71/99/175337199.db2.gz	KVSWBODEEGGTOJ-PELKAZGASA-N	0	0	281.149	3.424	1	30		CGEFRN
COc1cc2c(c(OC)c1)C(=O)/C(=C/c1cccc(O)c1)O2	ZINC000053293430	522994284	/nfs/dbraw/zinc/99/42/84/522994284.db2.gz	SCNQRHDLSSRVEK-CHHVJCJISA-N	0	0	298.294	3.026	1	30		CGEFRN
COc1ccc(O)c2c1C(=O)C(CCC=C(C)C)=CC2=O	ZINC000049113663	524778153	/nfs/dbraw/zinc/77/81/53/524778153.db2.gz	OVTNFJRJFLMYCD-UHFFFAOYSA-N	0	0	286.327	3.453	1	30		CGEFRN
N#Cc1ccc2[nH]c3c(c2c1)CCC[C@]3(O)C(F)(F)F	ZINC000064548858	526690858	/nfs/dbraw/zinc/69/08/58/526690858.db2.gz	DZMHVXDYRBLHFR-CYBMUJFWSA-N	0	0	280.249	3.126	1	30		CGEFRN
CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000100781172	571835022	/nfs/dbraw/zinc/83/50/22/571835022.db2.gz	BQUAFPABUCARCY-UKJJPGPKSA-N	0	0	294.435	3.096	1	30	endogenous,in-man	CGEFRN
Cc1cccn2c(/C=N/O)c(-c3ccc(F)cc3)nc12	ZINC000096922581	185131573	/nfs/dbraw/zinc/13/15/73/185131573.db2.gz	ZJWLSHGNHNRWCI-RQZCQDPDSA-N	0	0	269.279	3.257	1	30		CGEFRN
CCON=CNc1cc(C)c(OCC)c(OCC)c1	ZINC000103195994	185815922	/nfs/dbraw/zinc/81/59/22/185815922.db2.gz	PSZXTSNEINPSLP-UHFFFAOYSA-N	0	0	266.341	3.184	1	30		CGEFRN
Fc1cccc(CN=Nc2cnc3ccccc3n2)c1	ZINC000103258045	185823428	/nfs/dbraw/zinc/82/34/28/185823428.db2.gz	UCDAZOPIKXWWPF-GIJQJNRQSA-N	0	0	266.279	3.215	1	30		CGEFRN
CO/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1	ZINC000012775985	170509221	/nfs/dbraw/zinc/50/92/21/170509221.db2.gz	LMYVXRNZIMHRES-WOJGMQOQSA-N	0	0	299.326	3.033	1	30		CGEFRN
O=C1N/C(=N\c2nccs2)S/C1=C\c1ccccc1	ZINC000029059944	171585174	/nfs/dbraw/zinc/58/51/74/171585174.db2.gz	MEFREHLVGWIZPE-NTMALXAHSA-N	0	0	287.369	3.035	1	30		CGEFRN
C[C@@H]1C[C@H](O)c2ccc(-c3ccc(C#N)n3C)cc21	ZINC000045261641	175337311	/nfs/dbraw/zinc/33/73/11/175337311.db2.gz	JQJZUJOSCOJKOM-HWPZZCPQSA-N	0	0	252.317	3.104	1	30		CGEFRN
C=C1C(=O)O[C@H](C)[C@@H]1c1ccc(Br)cc1	ZINC000045302333	175355049	/nfs/dbraw/zinc/35/50/49/175355049.db2.gz	RTQXINDCVYGLOE-LDYMZIIASA-N	0	0	267.122	3.034	1	30		CGEFRN
Cn1ccc(=N/N=C/c2c(Cl)cccc2Cl)cc1	ZINC000045357990	175362080	/nfs/dbraw/zinc/36/20/80/175362080.db2.gz	XAWUKMAWBQCRIH-CXUHLZMHSA-N	0	0	280.158	3.267	1	30		CGEFRN
Nc1ccc(/C=C/C(=O)/C=C/c2ccc(N)cc2)cc1	ZINC000049784995	527465241	/nfs/dbraw/zinc/46/52/41/527465241.db2.gz	XDWLQGNNVSVQQQ-YDWXAUTNSA-N	0	0	264.328	3.147	1	30		CGEFRN
C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C\[C@@H](OC(C)=O)[C@@H]12	ZINC000014453453	571708617	/nfs/dbraw/zinc/70/86/17/571708617.db2.gz	ORJVLIMAQARNOU-VJQPYGIDSA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
CSc1nc2[nH]nc(C#N)c2c(-c2ccc(C)cc2C)n1	ZINC000095571992	185010149	/nfs/dbraw/zinc/01/01/49/185010149.db2.gz	JLHANIOSKKTGST-UHFFFAOYSA-N	0	0	295.371	3.230	1	30		CGEFRN
CCCCCC[S@](=O)C1=CC(=O)c2ccccc2C1=O	ZINC000095590545	185014002	/nfs/dbraw/zinc/01/40/02/185014002.db2.gz	MWVLAUDNGWLVBH-HXUWFJFHSA-N	0	0	290.384	3.279	1	30		CGEFRN
CCC(NC)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000102277146	185773745	/nfs/dbraw/zinc/77/37/45/185773745.db2.gz	OMUGXUSQVQVDRI-JJAGWCGDSA-N	0	0	257.333	3.426	1	30		CGEFRN
Cc1ccc([C@@H](C)NC(=O)[C@H](C#N)C(C)(C)C)cc1	ZINC000103180895	185814288	/nfs/dbraw/zinc/81/42/88/185814288.db2.gz	CGFVRGBSLOHZFZ-OCCSQVGLSA-N	0	0	258.365	3.358	1	30		CGEFRN
COc1ccc(/C=C2\COc3cc(OC)ccc3C2=O)cc1	ZINC000003641524	169905459	/nfs/dbraw/zinc/90/54/59/169905459.db2.gz	JSIHERQFDBWWJU-UKTHLTGXSA-N	0	0	296.322	3.363	1	30		CGEFRN
CCC#C[C@]1(C(F)(F)F)NC(=O)Nc2ccc(F)cc21	ZINC000005964740	170163936	/nfs/dbraw/zinc/16/39/36/170163936.db2.gz	QHGWGWMSWOLTAV-LBPRGKRZSA-N	0	0	286.228	3.132	1	30		CGEFRN
C=C[C@H](c1ccccc1)c1cc(O)c(OC)cc1O	ZINC000013431261	170549697	/nfs/dbraw/zinc/54/96/97/170549697.db2.gz	OUERCVVUXKKXCW-GFCCVEGCSA-N	0	0	256.301	3.424	1	30		CGEFRN
c1ccc(C(=NN=c2[nH]c3ccccc3o2)C2CC2)nc1	ZINC000040575353	174341450	/nfs/dbraw/zinc/34/14/50/174341450.db2.gz	OJHBGWBBPKUSKN-XDJHFCHBSA-N	0	0	278.315	3.449	1	30		CGEFRN
C#CCNCc1coc(-c2ccc(Cl)cc2Cl)n1	ZINC000072182691	176335195	/nfs/dbraw/zinc/33/51/95/176335195.db2.gz	LORKLJDYQPJONY-UHFFFAOYSA-N	0	0	281.142	3.371	1	30		CGEFRN
C=C[C@H](OC(=O)OCCC)c1ccc(OC(C)=O)cc1	ZINC000049067229	519299792	/nfs/dbraw/zinc/29/97/92/519299792.db2.gz	MTMOBYZHHRKIPG-AWEZNQCLSA-N	0	0	278.304	3.402	1	30		CGEFRN
CC(C)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21	ZINC000003964982	535371933	/nfs/dbraw/zinc/37/19/33/535371933.db2.gz	OWZIAVBZADURFF-ZDUSSCGKSA-N	0	0	275.396	3.252	1	30		CGEFRN
CC1=C(/C=C/[C@@]2(C)CCC(=O)O2)C(C)(C)CCC1=O	ZINC000095099624	560062088	/nfs/dbraw/zinc/06/20/88/560062088.db2.gz	CCYRLEPYXAAIJA-RDTXFTJFSA-N	0	0	262.349	3.344	1	30	biogenic,in-vitro	CGEFRN
CC(C)(C)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1	ZINC000103180913	185814204	/nfs/dbraw/zinc/81/42/04/185814204.db2.gz	IHLKPQWUVQDHKR-NSHDSACASA-N	0	0	250.729	3.464	1	30		CGEFRN
O=C1OC2=C/C(=C\c3ccccc3)C(=O)c3cccc1c32	ZINC000001856561	169760268	/nfs/dbraw/zinc/76/02/68/169760268.db2.gz	VZKBZDSIMWBJAJ-FMIVXFBMSA-N	0	0	274.275	3.478	1	30		CGEFRN
COc1ccc([C@H]2CC[C@](Cl)(OC)C[C@@H]2C=O)cc1	ZINC000005824252	170144450	/nfs/dbraw/zinc/14/44/50/170144450.db2.gz	KPMOARVPBQKECG-YUELXQCFSA-N	0	0	282.767	3.359	1	30		CGEFRN
COC(=O)[C@H](CC[C@H]1C=CCC1)/N=C\c1ccccc1	ZINC000006040565	170170820	/nfs/dbraw/zinc/17/08/20/170170820.db2.gz	MRFMREBRFTXQMX-BKJUIBSQSA-N	0	0	271.360	3.394	1	30		CGEFRN
CN(c1ccccc1)c1ccc(/C=N\N2CCOCC2)cc1	ZINC000012510303	170492126	/nfs/dbraw/zinc/49/21/26/170492126.db2.gz	WKBONCKMQBTCKE-CYVLTUHYSA-N	0	0	295.386	3.121	1	30		CGEFRN
C[C@]12CC[C@@]3(C1)c1ccccc1C(=O)C=C3C[C@@H]2O	ZINC000026739672	171497672	/nfs/dbraw/zinc/49/76/72/171497672.db2.gz	YHXXRUKKXLZIEV-ULQDDVLXSA-N	0	0	254.329	3.002	1	30		CGEFRN
C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3	ZINC000027428790	171517278	/nfs/dbraw/zinc/51/72/78/171517278.db2.gz	BXVRBVRWCCGRRI-IBPNRKMYSA-N	0	0	292.375	3.020	1	30		CGEFRN
C#C[C@]1(O)CC[C@@H]([C@@H]2CCc3cc(O)ccc3C2)C1(C)C	ZINC000028255972	171554262	/nfs/dbraw/zinc/55/42/62/171554262.db2.gz	HOIXFEOLLXNKQH-AYBZRNKSSA-N	0	0	284.399	3.298	1	30		CGEFRN
C[C@@H](CCc1ccccc1)NC(=O)[C@H](C#N)C(C)(C)C	ZINC000029345551	171595135	/nfs/dbraw/zinc/59/51/35/171595135.db2.gz	QPLWPYRSFCLKPQ-ZFWWWQNUSA-N	0	0	272.392	3.310	1	30		CGEFRN
COCOC1C(=O)c2ccccc2C(=O)C1=CCC(C)C	ZINC000035246721	172078361	/nfs/dbraw/zinc/07/83/61/172078361.db2.gz	TUJPKLQWFIKNIR-UHFFFAOYSA-N	0	0	288.343	3.376	1	30		CGEFRN
N=C(NCc1c[nH]c2ccccc12)C(Cl)(Cl)Cl	ZINC000039238923	174167035	/nfs/dbraw/zinc/16/70/35/174167035.db2.gz	GAGPMMPKTGNUBI-UHFFFAOYSA-N	0	0	290.581	3.395	1	30		CGEFRN
C#C[C@@H](O)[C@]1(C)CC[C@@H]2c3ccc(O)cc3CC[C@@H]2C1	ZINC000040685216	174375358	/nfs/dbraw/zinc/37/53/58/174375358.db2.gz	PGUHDYUGHBUNJJ-BVPBIZIASA-N	0	0	270.372	3.223	1	30		CGEFRN
C=C(C)C(=O)c1ccc(OCc2nc(C)no2)cc1C	ZINC000045261199	175337331	/nfs/dbraw/zinc/33/73/31/175337331.db2.gz	ZMPWRUAQSYOOPA-UHFFFAOYSA-N	0	0	272.304	3.024	1	30		CGEFRN
[O-]/N=C/c1cccc[n+]1Cc1csc2ccccc12	ZINC000045302338	175354879	/nfs/dbraw/zinc/35/48/79/175354879.db2.gz	CHQBVORNYCPTRQ-UHFFFAOYSA-O	0	0	269.349	3.045	1	30		CGEFRN
COc1ccc2nccc(NN=Cc3ccc(F)cc3)c2c1	ZINC000045323208	175359691	/nfs/dbraw/zinc/35/96/91/175359691.db2.gz	QQWZVZGBCCNHEG-RGVLZGJSSA-N	0	0	295.317	3.250	1	30		CGEFRN
COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C#N	ZINC000071319126	176122323	/nfs/dbraw/zinc/12/23/23/176122323.db2.gz	TUCONPRGHCVDIV-UHFFFAOYSA-N	0	0	278.720	3.122	1	30		CGEFRN
Cc1nccn1/C(=N\O)c1cccnc1Oc1ccccc1	ZINC000072101821	176315740	/nfs/dbraw/zinc/31/57/40/176315740.db2.gz	JTEHXNPXPTZGHD-CYVLTUHYSA-N	0	0	294.314	3.063	1	30		CGEFRN
N#CCc1cccc(C#Cc2csc(Cl)n2)c1	ZINC000066104988	526485975	/nfs/dbraw/zinc/48/59/75/526485975.db2.gz	IGXZWWWSIANJPG-UHFFFAOYSA-N	0	0	258.733	3.262	1	30		CGEFRN
CC1C(=O)C2=C(O[C@H](c3ccccc3)CC2=O)C(C)(C)C1=O	ZINC000103549624	560052136	/nfs/dbraw/zinc/05/21/36/560052136.db2.gz	CLTODYVARKMPCT-ZDUSSCGKSA-N	0	0	298.338	3.412	1	30	biogenic,in-vitro	CGEFRN
CCCCCCC[C@@H]1O[C@@H]1CC#CC#C[C@H](O)CC	ZINC000068297144	574415416	/nfs/dbraw/zinc/41/54/16/574415416.db2.gz	WDZQEROINMBCOK-IXDOHACOSA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
C#CCOc1ccc(-c2cc(O)c3c(=O)cccc-3o2)cc1	ZINC000095603216	185014999	/nfs/dbraw/zinc/01/49/99/185014999.db2.gz	QYXMHKBBPZNHGW-UHFFFAOYSA-N	0	0	292.290	3.178	1	30		CGEFRN
CCCC#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(N)cc21	ZINC000005837194	170145459	/nfs/dbraw/zinc/14/54/59/170145459.db2.gz	NLBHWSLHIILXLM-ZDUSSCGKSA-N	0	0	298.264	3.392	1	30		CGEFRN
O=[N+]([O-])c1ccc(N=NC2=CCCCC2)c([N+](=O)[O-])c1	ZINC000006003128	170166997	/nfs/dbraw/zinc/16/69/97/170166997.db2.gz	ZMXJLBYYNDEELC-UKTHLTGXSA-N	0	0	276.252	3.011	1	30		CGEFRN
COc1ccc(C(=O)O/N=C(/C)c2ccccc2)cc1	ZINC000006492836	170206535	/nfs/dbraw/zinc/20/65/35/170206535.db2.gz	ICSZJWPSCMKODU-ATVHPVEESA-N	0	0	269.300	3.276	1	30		CGEFRN
N#Cc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1	ZINC000013831208	170601915	/nfs/dbraw/zinc/60/19/15/170601915.db2.gz	VOQULOYAZPOGGA-UHFFFAOYSA-N	0	0	294.362	3.231	1	30		CGEFRN
C=C1c2ccc(O)cc2C(=O)C1c1ccc(O)cc1	ZINC000028477054	171560520	/nfs/dbraw/zinc/56/05/20/171560520.db2.gz	NFJQNJORGZRJPM-UHFFFAOYSA-N	0	0	252.269	3.225	1	30		CGEFRN
Cn1c2cc(O)ccc2c2c1[C@@]1(C)CCC(=O)C=C1CC2	ZINC000040564056	174336431	/nfs/dbraw/zinc/33/64/31/174336431.db2.gz	RFBMLKSASPSVGM-SFHVURJKSA-N	0	0	281.355	3.377	1	30		CGEFRN
C#CC(CC)(CC)NCc1coc(-c2ccc(O)cc2)n1	ZINC000072101831	176316110	/nfs/dbraw/zinc/31/61/10/176316110.db2.gz	SUVSSSYJQXOJRB-UHFFFAOYSA-N	0	0	284.359	3.329	1	30		CGEFRN
COC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1	ZINC000073257732	176463664	/nfs/dbraw/zinc/46/36/64/176463664.db2.gz	OTPODGQXPCDHKS-WJDWOHSUSA-N	0	0	298.726	3.230	1	30		CGEFRN
CCCCNC(=S)N/N=C1/C[C@H](C)CC(C)(C)C1	ZINC000033646117	326900575	/nfs/dbraw/zinc/90/05/75/326900575.db2.gz	ONTQVLBAJFCWSG-SPSOFYIISA-N	0	0	269.458	3.453	1	30		CGEFRN
N#Cc1cc(F)cc(C(=O)NC2C3CC4CC(C3)CC2C4)c1	ZINC000058487425	526557156	/nfs/dbraw/zinc/55/71/56/526557156.db2.gz	PQUXLDKSPBFZTM-UHFFFAOYSA-N	0	0	298.361	3.252	1	30		CGEFRN
C/C=C\C#CC#CCC/C=C/C=C/C(=O)NCC(C)C	ZINC000095912396	560057242	/nfs/dbraw/zinc/05/72/42/560057242.db2.gz	GUJXDSIRNUISDE-GQKSZZGGSA-N	0	0	269.388	3.234	1	30	biogenic,in-vitro	CGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\[C@H](OC(C)=O)[C@H]12	ZINC000100780868	571834330	/nfs/dbraw/zinc/83/43/30/571834330.db2.gz	ORJVLIMAQARNOU-UMMMEFPSSA-N	0	0	290.359	3.092	1	30	endogenous,in-man	CGEFRN
COc1ccc(C2=NOC(=O)/C2=C\c2cccs2)cc1	ZINC000034800382	581097421	/nfs/dbraw/zinc/09/74/21/581097421.db2.gz	VJJOXSFRQIHQOI-LCYFTJDESA-N	0	0	285.324	3.101	1	30		CGEFRN
C=C1C=CC(=O)[C@@H]2[C@H](Cc3ccc(OC)c(O)c3)CC[C@H]12	ZINC000095562551	185009288	/nfs/dbraw/zinc/00/92/88/185009288.db2.gz	FAGHXDQWQNWNOG-PMUMKWKESA-N	0	0	284.355	3.281	1	30		CGEFRN
c1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CO1	ZINC000003227589	169869930	/nfs/dbraw/zinc/86/99/30/169869930.db2.gz	DGBJXAUJNTXGJB-INIZCTEOSA-O	0	0	277.347	3.035	3	30	aggregator	CGEFRN
Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12	ZINC000004861867	170032394	/nfs/dbraw/zinc/03/23/94/170032394.db2.gz	XKUITOUNUFZHCZ-UHFFFAOYSA-N	0	0	291.358	3.114	3	30		CGEFRN
CC(C)N=Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1	ZINC000005196053	170075531	/nfs/dbraw/zinc/07/55/31/170075531.db2.gz	UCTPNCITVKAWEJ-UHFFFAOYSA-N	0	0	266.282	3.119	1	30		CGEFRN
Nc1ccc2c(c1)[C@](C#CC1CC1)(C(F)(F)F)OC(=O)N2	ZINC000005933658	170157802	/nfs/dbraw/zinc/15/78/02/170157802.db2.gz	VDIITAKKODSJCW-CYBMUJFWSA-N	0	0	296.248	3.002	1	30		CGEFRN
CCN1c2c(C#N)cc(C)cc2Oc2ncccc2C1=O	ZINC000006385115	170196943	/nfs/dbraw/zinc/19/69/43/170196943.db2.gz	OSNHXMBZJPUQKF-UHFFFAOYSA-N	0	0	279.299	3.034	1	30		CGEFRN
C=CCCCCCCCC#CC#C[C@H](O)CC(C)=O	ZINC000014454579	170634233	/nfs/dbraw/zinc/63/42/33/170634233.db2.gz	XQKSZNVOIGULIK-KRWDZBQOSA-N	0	0	260.377	3.250	1	30		CGEFRN
Cc1nc2c(NCc3ccccc3)cccn2c1CC#N	ZINC000026169782	171474273	/nfs/dbraw/zinc/47/42/73/171474273.db2.gz	BJTDQWITZVTBGR-UHFFFAOYSA-N	0	0	276.343	3.321	1	30		CGEFRN
N#Cc1ccc(-n2sc3cc(F)ccc3c2=O)cc1	ZINC000072178473	176334683	/nfs/dbraw/zinc/33/46/83/176334683.db2.gz	KHQNOPMBOXXRNW-UHFFFAOYSA-N	0	0	270.288	3.063	1	30		CGEFRN
Cc1ccc(/C=C2\Oc3ccc(O)cc3C2=O)cc1	ZINC000053242929	525961464	/nfs/dbraw/zinc/96/14/64/525961464.db2.gz	NOXDEAGRCDMIHN-NVNXTCNLSA-N	0	0	252.269	3.317	1	30		CGEFRN
N#Cc1cc(C(=O)C2CC2)n2c1cccc2Br	ZINC000053297286	526539988	/nfs/dbraw/zinc/53/99/88/526539988.db2.gz	WFKFFIAKAAUXNG-UHFFFAOYSA-N	0	0	289.132	3.166	1	30		CGEFRN
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12	ZINC000001702263	560184121	/nfs/dbraw/zinc/18/41/21/560184121.db2.gz	ORJVLIMAQARNOU-SYQXSARVSA-N	0	0	290.359	3.092	1	30	biogenic,in-vitro	CGEFRN
N#Cc1cc(-c2ccccc2)n(-c2nc3ccccc3[nH]2)c1N	ZINC000095559891	185009267	/nfs/dbraw/zinc/00/92/67/185009267.db2.gz	RAMCUNLKNLDCMS-UHFFFAOYSA-N	0	0	299.337	3.474	1	30		CGEFRN
CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)NO)no1	ZINC000095576737	185010934	/nfs/dbraw/zinc/01/09/34/185010934.db2.gz	YVRMZRBZVFTUER-NNNHXZLVSA-N	0	0	276.336	3.189	1	30		CGEFRN
C=C[C@@H](C[C@@H](O)c1ccc(O)cc1)c1cccc(O)c1	ZINC000084671217	178911818	/nfs/dbraw/zinc/91/18/18/178911818.db2.gz	IZDZWGKGUFAUTJ-YVEFUNNKSA-N	0	0	270.328	3.491	1	30		CGEFRN
c1cn(CC(=NNc2ccccc2)c2ccccc2)cn1	ZINC000103215343	185816748	/nfs/dbraw/zinc/81/67/48/185816748.db2.gz	AYKKVYQBNCOUAP-JZJYNLBNSA-N	0	0	276.343	3.400	1	30		CGEFRN
COC1C(=O)c2occ(C)c2C(=O)C1=CC=C(C)C	ZINC000013379177	290864189	/nfs/dbraw/zinc/86/41/89/290864189.db2.gz	KANZBMWXONBQGE-UHFFFAOYSA-N	0	0	260.289	3.224	1	30	biogenic,in-vitro	CGEFRN
CCOC(=O)Nc1sc2c(c1C#N)C[C@@H](C)CC2	ZINC000006040884	170170867	/nfs/dbraw/zinc/17/08/67/170170867.db2.gz	SKEPCWKFHZFMHJ-QMMMGPOBSA-N	0	0	264.350	3.313	1	30		CGEFRN
Cc1cccc(C#CCNC(=O)Nc2cccc(Cl)c2)n1	ZINC000040567976	174337788	/nfs/dbraw/zinc/33/77/88/174337788.db2.gz	INFYOIFXQPRUOY-UHFFFAOYSA-N	0	0	299.761	3.217	1	30		CGEFRN
N#Cc1ccc2[nH]c(N=Cc3cccs3)nc2c1	ZINC000071294822	176112081	/nfs/dbraw/zinc/11/20/81/176112081.db2.gz	QNRMJVQJIDMLOK-OVCLIPMQSA-N	0	0	252.302	3.247	1	30		CGEFRN
NC(=S)N/N=C(/C=C/c1cccc(F)c1)c1ccccc1	ZINC000072114436	176318230	/nfs/dbraw/zinc/31/82/30/176318230.db2.gz	OOGYSLFGZKWAGF-WSQSNKJNSA-N	0	0	299.374	3.076	1	30		CGEFRN
c1c[nH]c(CN=Nc2ncnc3sc4c(c32)CCCC4)c1	ZINC000049126135	518378319	/nfs/dbraw/zinc/37/83/19/518378319.db2.gz	OQRJQUGOWFLCKW-UFWORHAWSA-N	0	0	297.387	3.344	1	30		CGEFRN
C=COC(=O)N1c2cccc(C)c2C(=O)C[C@@H]1C=C	ZINC000040865829	534476442	/nfs/dbraw/zinc/47/64/42/534476442.db2.gz	LYRVCPZGKSQOOF-NSHDSACASA-N	0	0	257.289	3.223	1	30		CGEFRN
CC(C)=CCC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O	ZINC000013385947	560104289	/nfs/dbraw/zinc/10/42/89/560104289.db2.gz	CRNOJRLIVCGQAY-UHFFFAOYSA-N	0	0	292.718	3.326	1	30	endogenous,in-man	CGEFRN
N#Cc1ccc(N2CC[C@](O)(c3ccccc3)C2)cc1Cl	ZINC000095592064	185014078	/nfs/dbraw/zinc/01/40/78/185014078.db2.gz	IBMUCEBOZFGDGX-QGZVFWFLSA-N	0	0	298.773	3.310	1	30		CGEFRN
N#Cc1cc(F)cc(C#Cc2csc(C[18F])n2)c1	ZINC000101410298	185740155	/nfs/dbraw/zinc/74/01/55/185740155.db2.gz	WTLBLIGPXACYET-UMSOTBISSA-N	0	0	259.271	3.023	1	30		CGEFRN
NC(=O)c1ccccc1NC=CC(=O)c1ccccc1	ZINC000101652876	185752509	/nfs/dbraw/zinc/75/25/09/185752509.db2.gz	FCEFMKSEZNRGQR-ODXRKRKHSA-N	0	0	266.300	3.087	1	30		CGEFRN
C=C[C@H](O)C#CC#CC[C@H](O)CCCCCCCC	ZINC000085831994	179184098	/nfs/dbraw/zinc/18/40/98/179184098.db2.gz	WNSUMUNACHNURC-DLBZAZTESA-N	0	0	262.393	3.042	1	30	endogenous,in-man	CGEFRN
CC(C)(C)[C@@H](C#N)C(=O)NCCc1csc(Cl)c1	ZINC000103272420	185823852	/nfs/dbraw/zinc/82/38/52/185823852.db2.gz	HUKTUGHDUMWFKS-JTQLQIEISA-N	0	0	284.812	3.246	1	30		CGEFRN
C#CCSc1nncn1-c1ccc(C(F)(F)F)cc1	ZINC000103282460	185825032	/nfs/dbraw/zinc/82/50/32/185825032.db2.gz	XKUAUCLZHWHUIN-UHFFFAOYSA-N	0	0	283.278	3.011	1	30		CGEFRN
CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC(=O)CC	ZINC000043194112	290863004	/nfs/dbraw/zinc/86/30/04/290863004.db2.gz	FLWGFJVPYVWJCO-DLBZAZTESA-N	0	0	260.377	3.490	1	30	biogenic,in-vitro	CGEFRN
Cc1cc(N(C)C)cc(C)c1NC(=O)/N=C1\CCCN1C	ZINC000169315556	188657202	/nfs/dbraw/zinc/65/72/02/188657202.db2.gz	SNNBEJUPTPRNQB-SAPNQHFASA-N	0	0	288.395	3.025	1	30		CGEFRN
COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc(OC)cc2)cc1	ZINC000006018414	170168568	/nfs/dbraw/zinc/16/85/68/170168568.db2.gz	ALPMILDQDXGALK-IAGOWNOFSA-N	0	0	284.311	3.027	1	30		CGEFRN
CC(C)(C)OC(=O)N1CC=C(C#Cc2ccccn2)CC1	ZINC000028526463	171562565	/nfs/dbraw/zinc/56/25/65/171562565.db2.gz	IOIBVLAFLPJENL-UHFFFAOYSA-N	0	0	284.359	3.000	1	30		CGEFRN
COc1ccc(-c2ccc(/C=N/O)c(O)c2C)cc1	ZINC000029136166	171588112	/nfs/dbraw/zinc/58/81/12/171588112.db2.gz	CGTGABZYPQAYEG-CXUHLZMHSA-N	0	0	257.289	3.184	1	30		CGEFRN
O=[N+]([O-])c1ccc(OCC#Cc2cccs2)cc1	ZINC000040753963	174396426	/nfs/dbraw/zinc/39/64/26/174396426.db2.gz	GPRVBEYUDBKCPZ-UHFFFAOYSA-N	0	0	259.286	3.087	1	30		CGEFRN
O=[N+]([O-])c1ccc2[nH]c(N=Cc3cccs3)nc2c1	ZINC000071295691	176112225	/nfs/dbraw/zinc/11/22/25/176112225.db2.gz	TWHVHHZLLIJCMC-NTUHNPAUSA-N	0	0	272.289	3.283	1	30		CGEFRN
COc1ccc(/C(=N/O)Nc2cccc(C)c2)cc1	ZINC000072103165	176316036	/nfs/dbraw/zinc/31/60/36/176316036.db2.gz	LYMKECOJOAXTGK-UHFFFAOYSA-N	0	0	256.305	3.252	1	30		CGEFRN
O=C(/C=C/c1ccc2c(ccc[n+]2[O-])c1)c1ccccc1	ZINC000072118745	176319275	/nfs/dbraw/zinc/31/92/75/176319275.db2.gz	GPFGKNHUFWQGNZ-PKNBQFBNSA-N	0	0	275.307	3.369	1	30		CGEFRN
O/N=C(\NC1CCCCC1)c1cc(F)cc(F)c1	ZINC000072181921	176335002	/nfs/dbraw/zinc/33/50/02/176335002.db2.gz	QZEAQBNUJHFWNZ-UHFFFAOYSA-N	0	0	254.280	3.023	1	30		CGEFRN
CCOC(=O)[C@H](C)O/N=C(C)/C=C/c1ccc(OC)cc1	ZINC000049125645	521215626	/nfs/dbraw/zinc/21/56/26/521215626.db2.gz	QTINQQCBUGPEJX-HVJZFQQQSA-N	0	0	291.347	3.053	1	30		CGEFRN
CN(C)c1ccc(C#CC(=O)c2ccc(F)cc2)cc1	ZINC000066100205	522139339	/nfs/dbraw/zinc/13/93/39/522139339.db2.gz	OJLRUEDATLSQLG-UHFFFAOYSA-N	0	0	267.303	3.126	1	30		CGEFRN
O=C1c2cc(O)ccc2O/C1=C\c1ccc(F)cc1	ZINC000066260174	527121431	/nfs/dbraw/zinc/12/14/31/527121431.db2.gz	GSNIGYCXCMMEKV-AUWJEWJLSA-N	0	0	256.232	3.148	1	30		CGEFRN
C=C1CC/C(OC(C)=O)=C(/C)CC[C@@H](C(C)(C)O)CC1=O	ZINC000015254901	571737562	/nfs/dbraw/zinc/73/75/62/571737562.db2.gz	IULUGGNZUILXOI-RGHBXIHOSA-N	0	0	294.391	3.300	1	30	endogenous,in-man	CGEFRN
N#Cc1ccc(C2=NO[C@H]3CCC[C@H]23)c(C(F)(F)F)c1	ZINC000095575509	185010981	/nfs/dbraw/zinc/01/09/81/185010981.db2.gz	UFDAVUOYTGQPPZ-JQWIXIFHSA-N	0	0	280.249	3.480	1	30		CGEFRN
CCCSc1c(Cl)c(N)c(C#N)c(F)c1C#N	ZINC000096909233	185127877	/nfs/dbraw/zinc/12/78/77/185127877.db2.gz	QHKLKKHZSVCSRO-UHFFFAOYSA-N	0	0	269.732	3.307	1	30		CGEFRN
C=C(C)[C@@H]1C[C@H]2[C@H](CC[C@]2(C)O)[C@@]2(O)CC=C[C@@H]1C2	ZINC000085549909	290860575	/nfs/dbraw/zinc/86/05/75/290860575.db2.gz	SERDRNCTCNRDOZ-LGNVQCELSA-N	0	0	262.393	3.057	1	30	biogenic,in-vitro	CGEFRN
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)cc2)C[C@H]1C	ZINC000005763480	170138629	/nfs/dbraw/zinc/13/86/29/170138629.db2.gz	XFETUZOSYZRHMX-YMTOWFKASA-N	0	0	293.750	3.034	1	30		CGEFRN
C=C(CC)C(=O)c1ccc(O[C@@H](C)C(=O)OC)c(C)c1C	ZINC000028713775	171572057	/nfs/dbraw/zinc/57/20/57/171572057.db2.gz	JHAMUYDNMYWYKU-ZDUSSCGKSA-N	0	0	290.359	3.393	1	30		CGEFRN
C=CCN1CN(C2CCCCC2)CSC1=S	ZINC000031905326	171657020	/nfs/dbraw/zinc/65/70/20/171657020.db2.gz	KSCVKHUKEGAULY-UHFFFAOYSA-N	0	0	256.440	3.056	1	30		CGEFRN
Cn1c2ccc(O)cc2c2c1[C@]1(C)CCC(=O)C=C1CC2	ZINC000040564578	174336924	/nfs/dbraw/zinc/33/69/24/174336924.db2.gz	LLDGCJASFCPRFD-GOSISDBHSA-N	0	0	281.355	3.377	1	30		CGEFRN
N#C/C(=N\OC(=O)c1ccc(F)c(F)c1)c1ccccc1	ZINC000040576614	174341712	/nfs/dbraw/zinc/34/17/12/174341712.db2.gz	FYARATBBBRGLHA-XMHGGMMESA-N	0	0	286.237	3.049	1	30		CGEFRN
COc1cccc(/C=C2\C(=O)ON=C2c2cccs2)c1	ZINC000040689013	174375639	/nfs/dbraw/zinc/37/56/39/174375639.db2.gz	OWAATSOSRUYFEG-XFXZXTDPSA-N	0	0	285.324	3.101	1	30		CGEFRN
COc1ccc(-c2ccc3oc(=O)c(C#N)c(C)c3c2)cn1	ZINC000045338410	175360599	/nfs/dbraw/zinc/36/05/99/175360599.db2.gz	BIGREHFFMXZBOK-UHFFFAOYSA-N	0	0	292.294	3.044	1	30		CGEFRN
C/C(C(=O)c1ccccc1)=C1/C(=O)Nc2ccccc21	ZINC000071329586	176124240	/nfs/dbraw/zinc/12/42/40/176124240.db2.gz	IZHRWADDMAGVDU-PTNGSMBKSA-N	0	0	263.296	3.295	1	30		CGEFRN
N#Cc1ccc(C(=C2CCCCC2)n2cncn2)cc1	ZINC000028638801	518196584	/nfs/dbraw/zinc/19/65/84/518196584.db2.gz	YVAOIUMZKHHBSB-UHFFFAOYSA-N	0	0	264.332	3.373	1	30		CGEFRN
CC1CCN(c2cc(C(F)(F)F)c(C#N)cn2)CC1	ZINC000028950637	581091645	/nfs/dbraw/zinc/09/16/45/581091645.db2.gz	WGYGGXYUJRCLRL-UHFFFAOYSA-N	0	0	269.270	3.208	1	30		CGEFRN
Cc1c(O)c(C)c(O)c(C(=O)/C=C/c2ccccc2)c1O	ZINC000014779985	290867581	/nfs/dbraw/zinc/86/75/81/290867581.db2.gz	GOQDNYNXBMUBPA-CMDGGOBGSA-N	0	0	284.311	3.316	1	30	biogenic,in-vitro	CGEFRN
N#CC(c1nc2ccccc2s1)c1cc(Cl)ncn1	ZINC000001861456	169760913	/nfs/dbraw/zinc/76/09/13/169760913.db2.gz	UJUCUFQXQWOTOY-QMMMGPOBSA-N	0	0	286.747	3.395	1	30		CGEFRN
O=C1Nc2ccccc2C1C=Nc1ccc2c(c1)OCO2	ZINC000006553078	170212724	/nfs/dbraw/zinc/21/27/24/170212724.db2.gz	NGXUWAROBJWYLJ-CAOOACKPSA-N	0	0	280.283	3.353	1	30		CGEFRN
C=CCCCCCCCc1cc(OC)cc[n+]1CC(=O)[O-]	ZINC000014610003	170639036	/nfs/dbraw/zinc/63/90/36/170639036.db2.gz	ZIWFPGDHJIFGNS-UHFFFAOYSA-O	0	0	292.399	3.136	1	30		CGEFRN
Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@H](C2)[C@@H]2C[C@@H]23)cc1	ZINC000017215308	170730349	/nfs/dbraw/zinc/73/03/49/170730349.db2.gz	XGWQFTMPQGPTQI-QCEMKRCNSA-N	0	0	292.400	3.137	1	30		CGEFRN
CNC(=S)[C@]1(c2ccc(C)cn2)CCCS1	ZINC000026736418	171497487	/nfs/dbraw/zinc/49/74/87/171497487.db2.gz	OXUOVGYWTQHVRY-GFCCVEGCSA-N	0	0	252.408	3.070	1	30		CGEFRN
C[C@@]1(CO)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@]32C)C1	ZINC000027728732	171530898	/nfs/dbraw/zinc/53/08/98/171530898.db2.gz	XCQZFNGICWIWML-WBQNTZJQSA-N	0	0	260.377	3.267	1	30		CGEFRN
CN(C)c1ccc(/C=C2\C(=O)ON=C2c2cccs2)cc1	ZINC000034800383	171868007	/nfs/dbraw/zinc/86/80/07/171868007.db2.gz	CVYZDBFHEACEDM-RAXLEYEMSA-N	0	0	298.367	3.159	1	30		CGEFRN
C#C[C@@H](O)[C@]1(C)CC[C@H]2c3ccc(O)cc3CC[C@@H]2C1	ZINC000040685218	174375315	/nfs/dbraw/zinc/37/53/15/174375315.db2.gz	PGUHDYUGHBUNJJ-BNEJOLLZSA-N	0	0	270.372	3.223	1	30		CGEFRN
C#CCSc1cnc2ccccc2c1SCC#CCO	ZINC000040898323	174429485	/nfs/dbraw/zinc/42/94/85/174429485.db2.gz	XTKCRWGPDOECBZ-UHFFFAOYSA-N	0	0	299.420	3.048	1	30		CGEFRN
CCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1	ZINC000045358672	175362527	/nfs/dbraw/zinc/36/25/27/175362527.db2.gz	RKEOSRSRXNLQCF-LDADJPATSA-N	0	0	299.330	3.453	1	30	in-vivo	CGEFRN
CNc1nc(C)c(C(=O)/C=C/c2ccc(OC)cc2)s1	ZINC000071295696	176112031	/nfs/dbraw/zinc/11/20/31/176112031.db2.gz	VUGWLFGXNFBQBD-RMKNXTFCSA-N	0	0	288.372	3.398	1	30		CGEFRN
N#Cc1sc(N)c(C#N)c1-c1ccc(Cl)cc1	ZINC000072114309	176318452	/nfs/dbraw/zinc/31/84/52/176318452.db2.gz	XLGWEWAZMDKILM-UHFFFAOYSA-N	0	0	259.721	3.394	1	30		CGEFRN
CCCSC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	ZINC000073138419	176454828	/nfs/dbraw/zinc/45/48/28/176454828.db2.gz	FXIVOJLMFYATFG-VOTSOKGWSA-N	0	0	296.388	3.395	1	30		CGEFRN
CC(N=NC(=S)NC1CCCCC1)c1ccc(O)cc1	ZINC000013597852	518458933	/nfs/dbraw/zinc/45/89/33/518458933.db2.gz	HPRZNWMFHCKVQA-GZTJUZNOSA-N	0	0	291.420	3.324	1	30		CGEFRN
Cc1cccc2c1CC=C1C(=O)c3ccoc3C(=O)[C@H]21	ZINC000070454963	560047875	/nfs/dbraw/zinc/04/78/75/560047875.db2.gz	DJMALQCCBDFAES-CQSZACIVSA-N	0	0	264.280	3.233	1	30	biogenic,in-vitro	CGEFRN
CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@@H](O)CC	ZINC000014253968	571704302	/nfs/dbraw/zinc/70/43/02/571704302.db2.gz	WDZQEROINMBCOK-BBWFWOEESA-N	0	0	262.393	3.282	1	30	endogenous,in-man	CGEFRN
O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1ccc(Cl)cc1)O2	ZINC000096916773	185129978	/nfs/dbraw/zinc/12/99/78/185129978.db2.gz	AKZHRZUIBCUOSK-KGLIPLIRSA-N	0	0	297.137	3.386	1	30		CGEFRN
C=C[C@H](O)/C=C/C#C[C@H](O)/C=C/CCCCCCC	ZINC000085831966	179183887	/nfs/dbraw/zinc/18/38/87/179183887.db2.gz	LCHMNLCUPRABCV-ANTXAVDMSA-N	0	0	262.393	3.371	1	30	endogenous,in-man	CGEFRN
C[C@@]1(CO)CC[C@@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)C1	ZINC000169372888	188661580	/nfs/dbraw/zinc/66/15/80/188661580.db2.gz	XCQZFNGICWIWML-DXEWXGHRSA-N	0	0	260.377	3.267	1	30		CGEFRN
N#Cc1c(N)n(C(=O)c2ccccc2)cc1-c1ccccc1	ZINC000001858313	169760988	/nfs/dbraw/zinc/76/09/88/169760988.db2.gz	VUINUZBIBFZPHN-UHFFFAOYSA-N	0	0	287.322	3.297	1	30		CGEFRN
C=C[C@H]1O[C@@H](CCCOC(=O)C(C)(C)C)O[C@@H]1CC	ZINC000005922623	170155736	/nfs/dbraw/zinc/15/57/36/170155736.db2.gz	BZIPUBNPIGTPFF-JHJVBQTASA-N	0	0	270.369	3.062	1	30		CGEFRN
NN/C(=N/c1ccccc1)SCc1ccccc1	ZINC000006575161	170214881	/nfs/dbraw/zinc/21/48/81/170214881.db2.gz	SXJDRBGUNWLUHF-UHFFFAOYSA-N	0	0	257.362	3.071	1	30		CGEFRN
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1	ZINC000007135677	170268682	/nfs/dbraw/zinc/26/86/82/170268682.db2.gz	RDFUQVBQTAHNQR-MDZDMXLPSA-N	0	0	293.282	3.367	1	30		CGEFRN
O=C1CCCc2nc(C#Cc3ccccc3)sc21	ZINC000072315042	176368920	/nfs/dbraw/zinc/36/89/20/176368920.db2.gz	SZGKTGVROKLYCT-UHFFFAOYSA-N	0	0	253.326	3.062	1	30		CGEFRN
COc1ccc(O)c2c1C(=O)C=C(CCC=C(C)C)C2=O	ZINC000049113630	524776761	/nfs/dbraw/zinc/77/67/61/524776761.db2.gz	DOQSBOUHOPLRMV-UHFFFAOYSA-N	0	0	286.327	3.453	1	30		CGEFRN